#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbk s LEU 375 N -0.36 3.96 -0.10 0.00 2.96 0.26 -1.53 118.68 123.87 3mbk s LEU 375 Ca 0.05 -0.84 -0.12 0.00 -0.22 0.00 0.00 54.13 53.00 3mbk s LEU 375 Cb -0.09 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 3mbk s LEU 375 CO 0.00 -0.23 0.28 -0.36 -1.32 0.00 0.00 176.35 174.73 3mbk s PHE 376 N 1.47 3.58 -0.06 5.38 0.08 0.45 -0.55 117.98 128.33 3mbk s PHE 376 Ca 0.01 0.69 0.02 0.00 0.12 0.00 0.00 56.93 57.78 3mbk s PHE 376 Cb -0.18 -2.22 0.02 0.00 -0.57 0.00 0.00 43.02 40.07 3mbk s PHE 376 CO 0.02 0.49 -0.10 0.08 -0.10 0.00 0.00 175.22 175.61 3mbk s VAL 377 N -0.38 0.99 0.06 -0.44 1.01 -0.63 -0.43 120.40 120.58 3mbk s VAL 377 Ca 0.18 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3mbk s VAL 377 Cb -0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3mbk s VAL 377 CO 0.07 0.32 -0.03 0.00 0.00 0.00 0.00 175.10 175.46 3mbk s ARG 379 N -3.91 3.95 1.06 0.00 3.52 -0.61 -0.91 118.95 122.04 3mbk s ARG 379 Ca 0.08 0.74 -0.12 0.00 -0.13 0.00 0.00 55.73 56.30 3mbk s ARG 379 Cb 0.08 -2.30 0.20 0.00 -1.56 0.00 0.00 34.95 31.36 3mbk s ARG 379 CO -0.09 -0.05 0.91 -2.39 -0.81 0.00 0.00 175.30 172.88 3mbk n HIS 380 N -1.03 -0.51 -1.90 5.12 1.44 -0.40 -2.08 115.22 115.86 3mbk n HIS 380 Ca 0.04 0.11 -0.29 0.00 -2.01 0.00 0.00 57.72 55.58 3mbk n HIS 380 Cb 0.54 -1.81 0.11 0.00 0.12 0.00 0.00 29.99 28.95 3mbk n HIS 380 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3mbk s GLY 381 N -2.40 1.63 0.06 -1.39 0.00 -1.26 -2.06 107.32 101.90 3mbk s GLY 381 Ca 0.66 -0.77 -0.38 0.00 0.00 0.00 0.00 44.72 44.23 3mbk s GLY 381 CO 0.63 -0.22 1.21 -2.21 0.00 0.00 0.00 173.10 172.51 3mbk n GLU 382 N -3.42 0.67 -3.92 2.90 2.13 -1.26 -4.84 120.64 112.90 3mbk n GLU 382 Ca 0.10 0.24 -0.36 0.00 0.66 0.00 0.00 57.16 57.80 3mbk n GLU 382 Cb 0.61 -1.81 -0.07 0.00 0.27 0.00 0.00 31.44 30.44 3mbk n GLU 382 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3mbk s ARG 383 N 0.21 3.55 0.32 5.31 1.70 -1.26 -1.39 118.95 127.39 3mbk s ARG 383 Ca 0.86 -0.19 0.00 0.00 -0.47 0.00 0.00 55.73 55.93 3mbk s ARG 383 Cb -1.07 -3.19 0.54 0.00 -0.57 0.00 0.00 34.95 30.66 3mbk s ARG 383 CO 0.51 0.66 1.98 1.98 -1.08 0.00 0.00 175.30 179.36 3mbk h MET 384 N 5.39 0.95 -0.18 3.89 1.85 -1.39 -2.64 114.93 122.81 3mbk h MET 384 Ca -0.51 -0.06 -0.10 0.00 -0.61 0.00 0.00 59.70 58.42 3mbk h MET 384 Cb 1.21 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 33.01 3mbk h MET 384 CO 0.61 0.64 -0.33 0.38 -0.40 0.00 0.00 176.91 177.82 3mbk h ASP 385 N 0.98 0.37 -0.25 1.39 2.03 -1.90 -1.92 116.42 117.12 3mbk h ASP 385 Ca 0.26 -0.14 -0.11 0.00 -0.73 0.00 0.00 57.03 56.32 3mbk h ASP 385 Cb -0.09 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 38.30 3mbk h ASP 385 CO -0.05 0.68 -0.26 0.58 -1.03 0.00 0.00 179.24 179.16 3mbk h VAL 386 N 0.31 1.31 -0.25 4.15 2.07 -1.79 -0.26 116.25 121.80 3mbk h VAL 386 Ca 0.04 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 3mbk h VAL 386 Cb 0.73 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 3mbk h VAL 386 CO 0.06 0.45 0.02 0.58 0.02 0.00 0.00 177.57 178.69 3mbk h VAL 387 N 0.33 1.24 -0.02 2.57 2.07 -1.47 -3.29 116.25 117.68 3mbk h VAL 387 Ca 0.04 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3mbk h VAL 387 Cb 0.82 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3mbk h VAL 387 CO 0.06 0.26 -0.30 0.49 0.02 0.00 0.00 177.57 178.11 3mbk n PHE 388 N -4.66 0.00 -3.45 1.57 3.72 -0.73 -5.06 117.46 108.85 3mbk n PHE 388 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3mbk n PHE 388 Cb 0.22 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 3mbk n PHE 388 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mbk n GLY 389 N 1.37 -1.83 0.35 1.37 0.00 -0.11 -4.00 105.19 102.35 3mbk n GLY 389 Ca 0.11 -1.47 0.03 0.00 0.00 0.00 0.00 46.02 44.69 3mbk n GLY 389 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mbk h LYS 390 N 0.00 1.03 -0.92 1.61 3.64 -1.94 -1.84 116.57 118.14 3mbk h LYS 390 Ca 0.00 -0.06 -0.60 0.00 -1.27 0.00 0.00 60.65 58.72 3mbk h LYS 390 Cb 0.00 -0.23 -0.30 0.00 -0.41 0.00 0.00 32.23 31.29 3mbk h LYS 390 CO 0.00 0.68 0.52 0.66 -2.27 0.00 0.00 179.45 179.04 3mbk n TYR 391 N -4.58 2.99 0.13 1.91 4.01 -1.26 -4.73 117.16 115.63 3mbk n TYR 391 Ca 0.15 -2.62 0.05 0.00 -0.16 0.00 0.00 57.90 55.32 3mbk n TYR 391 Cb 0.23 -1.14 0.51 0.00 -0.31 0.00 0.00 39.34 38.63 3mbk n TYR 391 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 3mbk h TRP 392 N 1.79 0.25 -0.51 -0.72 5.08 -1.46 -1.91 115.95 118.48 3mbk h TRP 392 Ca 0.55 -0.00 0.05 0.00 1.08 0.00 0.00 58.89 60.57 3mbk h TRP 392 Cb 1.32 -0.08 -0.03 0.00 -3.00 0.00 0.00 29.16 27.37 3mbk h TRP 392 CO 1.35 0.20 0.34 -0.07 -1.28 0.00 0.00 178.44 178.98 3mbk h LEU 393 N 0.26 0.42 -1.55 0.11 3.38 -1.86 0.37 115.31 116.43 3mbk h LEU 393 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3mbk h LEU 393 Cb 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3mbk h LEU 393 CO -0.01 0.28 0.00 0.77 0.09 0.00 0.00 178.44 179.57 3mbk h SER 394 N 0.48 0.00 0.02 -0.43 4.64 -1.61 -0.30 113.55 116.35 3mbk h SER 394 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3mbk h SER 394 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3mbk h SER 394 CO -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.84 3mbk n GLN 395 N -2.81 1.64 -0.34 4.77 6.02 0.11 -4.39 117.38 122.37 3mbk n GLN 395 Ca 0.00 -1.07 0.00 0.00 -0.01 0.00 0.00 57.00 55.92 3mbk n GLN 395 Cb 0.22 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3mbk n GLN 395 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mbk s PHE 397 N 0.00 -0.04 0.50 0.00 0.08 -0.20 -1.48 117.98 116.85 3mbk s PHE 397 Ca 0.00 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.15 3mbk s PHE 397 Cb 0.00 0.00 0.10 0.00 -0.57 0.00 0.00 43.02 42.55 3mbk s PHE 397 CO 0.00 -0.02 0.69 -0.40 -0.10 0.00 0.00 175.22 175.39 3mbk n ASP 398 N 3.10 0.97 0.21 1.36 5.68 -0.03 -4.66 116.55 123.19 3mbk n ASP 398 Ca -0.13 -1.81 0.15 0.00 -0.50 0.00 0.00 54.79 52.50 3mbk n ASP 398 Cb 0.59 -0.44 0.69 0.00 -1.14 0.00 0.00 41.12 40.82 3mbk n ASP 398 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mbk h ALA 399 N -0.51 1.00 -0.32 2.12 0.00 -2.00 -1.19 119.26 118.36 3mbk h ALA 399 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3mbk h ALA 399 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3mbk h ALA 399 CO 0.25 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.13 3mbk n LYS 400 N -2.61 2.20 -1.03 0.00 5.02 -1.26 -4.95 118.16 115.53 3mbk n LYS 400 Ca 0.00 -1.81 -0.01 0.00 -2.02 0.00 0.00 58.31 54.47 3mbk n LYS 400 Cb 0.18 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3mbk n LYS 400 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mbk n GLY 401 N 1.35 0.49 3.86 0.72 0.00 -0.45 -5.02 105.19 106.14 3mbk n GLY 401 Ca 0.18 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 3mbk n GLY 401 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mbk s ARG 402 N -1.05 3.76 0.21 1.61 0.52 -1.26 -4.65 118.95 118.10 3mbk s ARG 402 Ca 0.00 0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 55.11 3mbk s ARG 402 Cb 0.00 -3.13 -0.09 0.00 0.52 0.00 0.00 34.95 32.25 3mbk s ARG 402 CO 0.00 0.66 1.38 -0.47 0.02 0.00 0.00 175.30 176.89 3mbk s TYR 403 N -1.20 3.15 0.04 -0.53 5.04 -1.26 -0.85 117.35 121.74 3mbk s TYR 403 Ca 0.26 1.10 0.04 0.00 -2.44 0.00 0.00 57.07 56.03 3mbk s TYR 403 Cb -0.15 -3.71 -0.02 0.00 0.35 0.00 0.00 41.96 38.43 3mbk s TYR 403 CO 0.14 -2.29 -0.12 0.96 -1.34 0.00 0.00 175.55 172.90 3mbk s ILE 404 N 0.15 0.92 -0.18 3.14 -4.36 -0.55 -4.90 121.20 115.41 3mbk s ILE 404 Ca 0.59 -1.00 -0.11 0.00 -0.26 0.00 0.00 60.65 59.86 3mbk s ILE 404 Cb -0.39 -0.87 -0.05 0.00 1.25 0.00 0.00 42.46 42.40 3mbk s ILE 404 CO 0.40 -0.12 0.18 -0.13 0.24 0.00 0.00 174.94 175.51 3mbk s ARG 405 N -1.26 4.17 0.00 0.37 0.52 -1.26 -4.25 118.95 117.24 3mbk s ARG 405 Ca -0.02 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 3mbk s ARG 405 Cb -0.08 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 31.98 3mbk s ARG 405 CO 0.01 0.31 0.81 0.25 0.02 0.00 0.00 175.30 176.70 3mbk n THR 406 N 3.45 0.64 -3.64 0.02 -2.24 -1.25 -5.04 114.28 106.23 3mbk n THR 406 Ca -0.15 -0.79 -0.15 0.00 -2.27 0.00 0.00 64.05 60.69 3mbk n THR 406 Cb 0.52 0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 69.37 3mbk n THR 406 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3mbk s ASN 407 N -0.64 -0.49 0.12 3.42 3.84 -1.26 -5.04 114.94 114.89 3mbk s ASN 407 Ca 0.00 0.61 0.18 0.00 0.21 0.00 0.00 52.86 53.86 3mbk s ASN 407 Cb 0.00 0.61 0.77 0.00 -0.55 0.00 0.00 41.25 42.08 3mbk s ASN 407 CO 0.00 -0.46 1.56 0.18 -2.79 0.00 0.00 177.10 175.59 3mbk n LEU 408 N 1.47 0.31 -0.29 3.21 4.77 -1.26 -1.63 117.00 123.58 3mbk n LEU 408 Ca -0.19 0.58 0.10 0.00 -0.03 0.00 0.00 56.01 56.48 3mbk n LEU 408 Cb 0.56 -0.55 0.48 0.00 -2.33 0.00 0.00 43.42 41.59 3mbk n LEU 408 CO 0.20 -0.42 0.82 -3.20 -1.33 0.00 0.00 177.39 173.46 3mbk n ASN 409 N -1.85 0.87 -4.85 -1.43 5.15 -1.26 -4.82 115.26 107.07 3mbk n ASN 409 Ca 0.03 -1.55 -0.36 0.00 -0.60 0.00 0.00 54.58 52.09 3mbk n ASN 409 Cb 0.18 -0.05 -0.06 0.00 -0.53 0.00 0.00 39.78 39.32 3mbk n ASN 409 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3mbk s MET 410 N -1.90 3.36 1.03 1.20 -1.94 -0.65 -1.30 119.30 119.10 3mbk s MET 410 Ca 0.31 -0.21 -0.13 0.00 -1.71 0.00 0.00 55.69 53.95 3mbk s MET 410 Cb 0.16 -3.11 0.20 0.00 2.01 0.00 0.00 34.83 34.09 3mbk s MET 410 CO 0.25 0.75 1.10 -1.25 -0.01 0.00 0.00 175.02 175.86 3mbk s PRO 411 N -1.14 0.21 0.41 2.03 0.04 -1.26 -4.79 135.00 130.49 3mbk s PRO 411 Ca 0.16 0.39 0.26 0.00 0.04 0.00 0.00 61.00 61.86 3mbk s PRO 411 Cb -0.12 -1.72 0.76 0.00 0.04 0.00 0.00 34.50 33.46 3mbk s PRO 411 CO 0.06 -2.85 1.75 0.45 0.04 0.00 0.00 177.00 176.44 3mbk h HIS 412 N -1.98 0.00 -3.33 0.56 3.86 -1.98 -3.46 115.15 108.83 3mbk h HIS 412 Ca -0.54 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.63 3mbk h HIS 412 Cb 1.33 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.68 3mbk h HIS 412 CO -0.00 0.00 -0.01 -1.54 0.86 0.00 0.00 177.93 177.24 3mbk s SER 413 N -5.57 -0.28 0.03 2.45 1.04 -1.26 -4.97 113.70 105.14 3mbk s SER 413 Ca 0.06 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.19 3mbk s SER 413 Cb 0.08 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 3mbk s SER 413 CO 0.60 -0.92 -0.09 -0.76 0.98 0.00 0.00 173.24 173.04 3mbk s LEU 414 N -2.82 2.19 0.56 2.42 1.43 -1.26 -5.15 118.68 116.05 3mbk s LEU 414 Ca 0.05 -0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 3mbk s LEU 414 Cb 0.01 -0.30 -0.06 0.00 0.03 0.00 0.00 46.19 45.87 3mbk s LEU 414 CO -0.09 -0.09 1.00 -2.65 0.23 0.00 0.00 176.35 174.74 3mbk n PRO 415 N 1.83 1.06 -2.38 1.29 -0.02 -1.26 -4.99 135.00 130.53 3mbk n PRO 415 Ca -0.20 0.40 -0.40 0.00 -2.02 0.00 0.00 63.50 61.28 3mbk n PRO 415 Cb 0.55 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 3mbk n PRO 415 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3mbk s GLN 416 N -2.59 4.56 0.17 -0.52 2.00 -1.26 -5.02 119.66 117.00 3mbk s GLN 416 Ca 0.72 1.90 0.11 0.00 -2.00 0.00 0.00 55.36 56.10 3mbk s GLN 416 Cb -0.44 -3.17 -0.04 0.00 0.80 0.00 0.00 33.01 30.15 3mbk s GLN 416 CO 0.50 0.09 -0.25 1.03 -0.50 0.00 0.00 175.29 176.16 3mbk s ARG 417 N -1.38 1.46 0.24 1.67 0.52 -1.26 -5.04 118.95 115.17 3mbk s ARG 417 Ca 0.46 -1.45 -0.05 0.00 -0.52 0.00 0.00 55.73 54.18 3mbk s ARG 417 Cb -0.34 -1.85 0.37 0.00 0.52 0.00 0.00 34.95 33.65 3mbk s ARG 417 CO 0.43 0.42 1.84 0.66 0.02 0.00 0.00 175.30 178.67 3mbk h SER 418 N 3.47 0.80 -0.34 0.23 4.64 -1.97 -0.20 113.55 120.18 3mbk h SER 418 Ca -0.48 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3mbk h SER 418 Cb 1.19 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3mbk h SER 418 CO 0.44 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 3mbk n GLY 419 N -1.33 0.91 6.08 -0.77 0.00 -1.26 -5.04 105.19 103.77 3mbk n GLY 419 Ca 0.13 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.77 3mbk n GLY 419 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mbk n GLY 420 N 0.92 -1.89 0.30 -0.02 0.00 -0.09 -4.31 105.19 100.10 3mbk n GLY 420 Ca 0.12 -1.35 0.15 0.00 0.00 0.00 0.00 46.02 44.94 3mbk n GLY 420 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3mbk h PHE 421 N -0.04 0.00 0.00 1.61 -5.15 -1.85 -1.29 116.94 110.22 3mbk h PHE 421 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3mbk h PHE 421 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.21 3mbk h PHE 421 CO 0.00 0.01 0.00 0.00 -2.00 0.00 0.00 178.31 176.32 3mbk h ARG 422 N 0.00 0.00 0.00 6.09 3.08 -1.98 -0.91 114.38 120.66 3mbk h ARG 422 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mbk h ARG 422 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3mbk h ARG 422 CO 0.00 0.00 -0.00 -0.44 -1.07 0.00 0.00 179.97 178.46 3mbk h ASP 423 N 0.00 0.00 1.06 7.04 5.19 -1.44 -1.80 116.42 126.47 3mbk h ASP 423 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3mbk h ASP 423 Cb 0.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.82 3mbk h ASP 423 CO 0.00 0.00 0.00 1.88 -3.12 0.00 0.00 179.24 178.00 3mbk h TYR 424 N 0.00 0.00 -0.85 4.55 0.05 -1.36 -3.33 116.97 116.03 3mbk h TYR 424 Ca -0.00 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 3mbk h TYR 424 Cb 0.14 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 3mbk h TYR 424 CO 0.00 0.00 0.55 0.93 -1.05 0.00 0.00 178.16 178.59 3mbk h GLU 425 N 0.00 1.04 -0.65 4.88 5.08 -1.50 -1.89 114.58 121.55 3mbk h GLU 425 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3mbk h GLU 425 Cb 0.53 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3mbk h GLU 425 CO 0.00 0.69 0.00 1.63 -1.00 0.00 0.00 179.01 180.33 3mbk n LYS 426 N -4.55 2.68 -2.83 2.33 5.02 -1.25 -4.64 118.16 114.92 3mbk n LYS 426 Ca 0.10 -2.58 -0.11 0.00 -2.02 0.00 0.00 58.31 53.70 3mbk n LYS 426 Cb 0.07 -1.56 0.04 0.00 -0.02 0.00 0.00 35.03 33.57 3mbk n LYS 426 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3mbk n ASP 427 N 1.62 -2.15 -4.78 4.39 2.03 -0.73 -4.72 116.55 112.21 3mbk n ASP 427 Ca 0.23 -3.31 -0.35 0.00 0.52 0.00 0.00 54.79 51.88 3mbk n ASP 427 Cb 0.62 1.40 -0.02 0.00 -0.72 0.00 0.00 41.12 42.40 3mbk n ASP 427 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mbk s ALA 428 N 0.16 2.81 0.76 -1.67 0.00 -1.06 -4.63 121.76 118.14 3mbk s ALA 428 Ca 0.30 0.73 -0.10 0.00 0.00 0.00 0.00 51.96 52.90 3mbk s ALA 428 Cb 0.24 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 20.12 3mbk s ALA 428 CO -0.17 -0.53 1.11 -1.25 0.00 0.00 0.00 175.76 174.92 3mbk s PRO 429 N -3.18 2.08 0.65 0.00 0.04 -1.26 -3.35 135.00 129.98 3mbk s PRO 429 Ca 0.69 -0.02 -0.11 0.00 0.04 0.00 0.00 61.00 61.60 3mbk s PRO 429 Cb -0.21 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 3mbk s PRO 429 CO 0.24 -1.44 1.04 0.96 0.04 0.00 0.00 177.00 177.84 3mbk s ILE 430 N -3.44 4.16 0.74 0.56 -4.36 -1.26 -1.08 121.20 116.52 3mbk s ILE 430 Ca 0.61 0.63 -0.03 0.00 -0.26 0.00 0.00 60.65 61.60 3mbk s ILE 430 Cb -0.11 -3.68 0.13 0.00 1.25 0.00 0.00 42.46 40.05 3mbk s ILE 430 CO 0.47 -0.88 1.03 0.42 0.24 0.00 0.00 174.94 176.22 3mbk s THR 431 N -3.22 2.15 0.20 8.37 -4.23 -0.49 -4.72 115.64 113.71 3mbk s THR 431 Ca 0.56 -0.51 -0.11 0.00 -1.18 0.00 0.00 61.69 60.46 3mbk s THR 431 Cb -0.11 -2.64 0.14 0.00 1.34 0.00 0.00 72.50 71.23 3mbk s THR 431 CO 0.52 0.00 1.86 0.58 -0.54 0.00 0.00 174.62 177.04 3mbk h VAL 432 N -0.65 1.14 -0.25 2.29 2.07 -1.50 -0.71 116.25 118.64 3mbk h VAL 432 Ca -0.38 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 3mbk h VAL 432 Cb 1.27 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3mbk h VAL 432 CO 0.41 0.16 -0.14 -0.26 0.02 0.00 0.00 177.57 177.77 3mbk h PHE 433 N 0.90 0.45 -0.70 1.57 -1.00 -1.92 -1.19 116.94 115.05 3mbk h PHE 433 Ca 0.27 -0.07 -0.00 0.00 2.81 0.00 0.00 57.97 60.98 3mbk h PHE 433 Cb -0.04 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.36 3mbk h PHE 433 CO -0.03 0.55 0.43 0.78 -1.61 0.00 0.00 178.31 178.42 3mbk h GLY 434 N 0.90 1.01 0.87 -1.45 0.00 -1.58 0.20 103.07 103.02 3mbk h GLY 434 Ca 0.07 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.02 3mbk h GLY 434 CO 0.03 0.40 0.39 0.00 0.00 0.00 0.00 176.54 177.37 3mbk h MET 436 N 0.78 0.89 -0.39 0.00 2.07 -0.80 -0.45 114.93 117.02 3mbk h MET 436 Ca 0.26 -0.38 0.06 0.00 -2.07 0.00 0.00 59.70 57.57 3mbk h MET 436 Cb 0.02 -0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 29.67 3mbk h MET 436 CO -0.10 1.03 0.08 1.96 1.07 0.00 0.00 176.91 180.94 3mbk h GLN 437 N 0.71 0.20 -0.21 1.72 4.20 -0.84 -0.15 115.11 120.75 3mbk h GLN 437 Ca 0.10 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3mbk h GLN 437 Cb 0.75 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3mbk h GLN 437 CO 0.06 0.13 0.11 0.00 -0.67 0.00 0.00 178.83 178.47 3mbk h ALA 438 N 1.30 0.27 -0.83 3.87 0.00 -1.13 -1.82 119.26 120.91 3mbk h ALA 438 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3mbk h ALA 438 Cb 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3mbk h ALA 438 CO -0.25 -0.20 0.54 -0.09 0.00 0.00 0.00 179.25 179.25 3mbk h ARG 439 N 0.23 1.10 -0.59 0.00 2.43 -0.84 -1.31 114.38 115.40 3mbk h ARG 439 Ca 0.07 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3mbk h ARG 439 Cb 0.07 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 3mbk h ARG 439 CO -0.01 0.74 0.16 -0.07 -1.51 0.00 0.00 179.97 179.28 3mbk h LEU 440 N 1.13 0.84 -0.43 3.80 3.38 -0.80 0.15 115.31 123.38 3mbk h LEU 440 Ca 0.30 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3mbk h LEU 440 Cb -0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3mbk h LEU 440 CO -0.06 0.81 0.02 0.58 0.09 0.00 0.00 178.44 179.88 3mbk h VAL 441 N 0.87 1.26 -0.68 1.22 2.07 -0.92 0.10 116.25 120.17 3mbk h VAL 441 Ca 0.19 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3mbk h VAL 441 Cb 0.29 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3mbk h VAL 441 CO -0.00 0.34 0.41 1.23 0.02 0.00 0.00 177.57 179.56 3mbk h GLY 442 N 0.59 0.99 1.27 2.17 0.00 -0.79 -0.61 103.07 106.69 3mbk h GLY 442 Ca 0.12 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3mbk h GLY 442 CO 0.02 0.40 0.22 0.83 0.00 0.00 0.00 176.54 178.01 3mbk h GLU 443 N 0.92 0.93 -0.48 4.80 5.08 -0.54 -1.38 114.58 123.92 3mbk h GLU 443 Ca 0.24 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 3mbk h GLU 443 Cb -0.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3mbk h GLU 443 CO -0.05 0.78 -0.21 0.00 -1.00 0.00 0.00 179.01 178.54 3mbk h ALA 444 N 1.33 0.72 -0.35 3.43 0.00 -0.54 -0.15 119.26 123.70 3mbk h ALA 444 Ca 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3mbk h ALA 444 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3mbk h ALA 444 CO -0.01 0.67 0.23 -0.07 0.00 0.00 0.00 179.25 180.06 3mbk h LEU 445 N 0.84 0.41 -0.30 0.00 3.38 -0.83 -0.97 115.31 117.85 3mbk h LEU 445 Ca 0.11 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3mbk h LEU 445 Cb 0.78 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3mbk h LEU 445 CO 0.06 0.31 0.18 0.25 0.09 0.00 0.00 178.44 179.33 3mbk h LEU 446 N 0.47 0.30 -1.45 1.67 5.85 -1.06 -1.46 115.31 119.64 3mbk h LEU 446 Ca 0.13 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3mbk h LEU 446 Cb -0.04 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3mbk h LEU 446 CO -0.03 0.22 0.20 -0.08 -0.34 0.00 0.00 178.44 178.42 3mbk h GLU 447 N 0.37 0.58 -0.01 1.25 4.81 -0.82 -0.81 114.58 119.95 3mbk h GLU 447 Ca 0.11 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3mbk h GLU 447 Cb -0.02 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3mbk h GLU 447 CO -0.04 0.45 0.00 -1.13 -0.73 0.00 0.00 179.01 177.55 3mbk n SER 448 N -4.41 0.20 -3.78 1.04 3.41 -0.38 -4.91 113.62 104.79 3mbk n SER 448 Ca 0.03 -1.24 -0.25 0.00 -0.26 0.00 0.00 58.87 57.15 3mbk n SER 448 Cb 0.12 -0.01 0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3mbk n SER 448 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3mbk n ASN 449 N -0.76 -3.13 -4.43 4.04 5.15 -0.31 -4.97 115.26 110.86 3mbk n ASN 449 Ca 0.19 -0.78 -0.42 0.00 -0.60 0.00 0.00 54.58 52.97 3mbk n ASN 449 Cb 0.12 -4.08 -0.10 0.00 -0.53 0.00 0.00 39.78 35.19 3mbk n ASN 449 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3mbk s THR 450 N -3.48 5.08 -0.06 -0.44 2.01 -0.58 -5.05 115.64 113.11 3mbk s THR 450 Ca 0.33 -0.75 -0.24 0.00 0.31 0.00 0.00 61.69 61.34 3mbk s THR 450 Cb -0.16 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 3mbk s THR 450 CO 0.81 -0.32 0.71 -0.69 -0.69 0.00 0.00 174.62 174.44 3mbk s VAL 451 N 1.64 5.04 -0.26 3.82 1.01 -1.26 -4.49 120.40 125.90 3mbk s VAL 451 Ca 0.04 1.46 -0.10 0.00 0.00 0.00 0.00 61.98 63.38 3mbk s VAL 451 Cb -0.19 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 3mbk s VAL 451 CO 0.09 0.25 0.15 -0.63 0.00 0.00 0.00 175.10 174.97 3mbk s ILE 452 N 0.78 5.15 -0.09 2.22 -1.09 -1.26 -4.56 121.20 122.34 3mbk s ILE 452 Ca 0.38 0.11 0.15 0.00 -2.23 0.00 0.00 60.65 59.06 3mbk s ILE 452 Cb -0.18 -3.42 -0.21 0.00 -1.58 0.00 0.00 42.46 37.07 3mbk s ILE 452 CO 0.18 0.31 0.60 0.47 -1.23 0.00 0.00 174.94 175.28 3mbk n ASP 453 N 4.67 0.69 -3.76 3.58 8.00 -0.59 -4.94 116.55 124.20 3mbk n ASP 453 Ca -0.15 0.32 -0.13 0.00 0.71 0.00 0.00 54.79 55.54 3mbk n ASP 453 Cb 0.52 0.25 -0.11 0.00 -0.02 0.00 0.00 41.12 41.76 3mbk n ASP 453 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3mbk s HIS 454 N -2.70 -0.35 -0.08 1.24 3.76 -1.18 -5.01 115.29 110.96 3mbk s HIS 454 Ca -0.05 0.86 0.02 0.00 -0.15 0.00 0.00 55.06 55.74 3mbk s HIS 454 Cb 0.08 0.12 0.02 0.00 1.11 0.00 0.00 32.58 33.91 3mbk s HIS 454 CO 0.82 -0.18 -0.12 0.08 -0.85 0.00 0.00 174.74 174.50 3mbk s VAL 455 N 0.14 1.20 0.16 -0.90 1.01 -1.26 -0.96 120.40 119.79 3mbk s VAL 455 Ca -0.00 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 61.60 3mbk s VAL 455 Cb -0.02 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3mbk s VAL 455 CO 0.01 0.38 -0.21 -0.31 0.00 0.00 0.00 175.10 174.97 3mbk s TYR 456 N 0.94 2.41 0.07 5.22 2.02 0.24 -0.99 117.35 127.26 3mbk s TYR 456 Ca -0.09 -0.32 -0.08 0.00 -0.37 0.00 0.00 57.07 56.21 3mbk s TYR 456 Cb -0.15 -1.23 -0.00 0.00 -0.40 0.00 0.00 41.96 40.17 3mbk s TYR 456 CO 0.00 0.44 0.17 0.00 -1.57 0.00 0.00 175.55 174.60 3mbk s SER 458 N -2.63 5.05 0.28 0.00 0.15 -0.89 -0.80 113.70 114.85 3mbk s SER 458 Ca 0.02 2.44 0.24 0.00 0.70 0.00 0.00 55.95 59.35 3mbk s SER 458 Cb 0.03 -2.60 1.03 0.00 -1.71 0.00 0.00 66.02 62.77 3mbk s SER 458 CO -0.09 -1.69 1.71 -0.81 1.20 0.00 0.00 173.24 173.56 3mbk n PRO 459 N -1.68 0.19 -1.65 5.44 -0.04 -1.26 -3.98 135.00 132.02 3mbk n PRO 459 Ca 0.14 0.47 -0.46 0.00 -0.04 0.00 0.00 63.50 63.61 3mbk n PRO 459 Cb 0.49 -1.90 -0.03 0.00 -0.04 0.00 0.00 33.50 32.02 3mbk n PRO 459 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3mbk n SER 460 N -2.27 2.54 -0.35 3.54 7.64 -1.26 -4.63 113.62 118.83 3mbk n SER 460 Ca 0.01 1.13 0.05 0.00 1.01 0.00 0.00 58.87 61.07 3mbk n SER 460 Cb 0.20 -1.38 0.21 0.00 -1.01 0.00 0.00 64.21 62.22 3mbk n SER 460 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3mbk h LEU 461 N 4.48 0.91 -1.59 -3.43 5.85 -1.83 -0.23 115.31 119.46 3mbk h LEU 461 Ca -0.45 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.35 3mbk h LEU 461 Cb 1.28 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 3mbk h LEU 461 CO 0.78 0.51 0.33 0.08 -0.34 0.00 0.00 178.44 179.80 3mbk h ARG 462 N 1.00 0.51 -0.07 1.25 0.11 -1.87 0.22 114.38 115.54 3mbk h ARG 462 Ca 0.46 -0.03 -0.13 0.00 0.10 0.00 0.00 59.98 60.38 3mbk h ARG 462 Cb 0.39 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 31.36 3mbk h ARG 462 CO -0.24 0.34 -0.47 0.00 0.10 0.00 0.00 179.97 179.70 3mbk h VAL 464 N -0.01 1.03 -0.74 0.00 2.07 -0.81 -0.51 116.25 117.27 3mbk h VAL 464 Ca -0.04 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3mbk h VAL 464 Cb 1.13 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3mbk h VAL 464 CO 0.10 0.04 0.31 1.56 0.02 0.00 0.00 177.57 179.60 3mbk h GLN 465 N 0.24 1.09 -0.27 1.57 4.20 -1.03 -0.61 115.11 120.30 3mbk h GLN 465 Ca 0.07 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3mbk h GLN 465 Cb -0.02 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3mbk h GLN 465 CO -0.03 0.87 0.12 1.15 -0.67 0.00 0.00 178.83 180.28 3mbk h THR 466 N 1.07 1.16 -0.63 -0.54 2.02 -1.07 -1.88 112.91 113.04 3mbk h THR 466 Ca 0.25 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.99 3mbk h THR 466 Cb 0.18 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 3mbk h THR 466 CO -0.02 0.16 0.40 0.00 0.37 0.00 0.00 175.52 176.43 3mbk h ALA 467 N 0.98 0.81 -0.66 6.16 0.00 -0.74 0.07 119.26 125.87 3mbk h ALA 467 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3mbk h ALA 467 Cb 0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3mbk h ALA 467 CO -0.01 0.18 0.40 1.25 0.00 0.00 0.00 179.25 181.07 3mbk h HIS 468 N 0.81 0.75 -0.01 0.00 6.17 -0.95 -1.22 115.15 120.69 3mbk h HIS 468 Ca 0.24 0.02 -0.16 0.00 0.71 0.00 0.00 60.37 61.19 3mbk h HIS 468 Cb -0.04 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 29.63 3mbk h HIS 468 CO -0.04 0.42 -0.72 -0.91 0.71 0.00 0.00 177.93 177.39 3mbk h ASN 469 N 0.79 0.10 -0.49 3.26 2.35 -0.81 -1.08 115.58 119.70 3mbk h ASN 469 Ca 0.27 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3mbk h ASN 469 Cb 0.04 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 3mbk h ASN 469 CO -0.12 0.78 0.32 0.40 -1.65 0.00 0.00 177.43 177.16 3mbk h ILE 470 N 0.05 1.11 -0.87 2.81 2.04 -0.72 -1.98 117.51 119.96 3mbk h ILE 470 Ca -0.01 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.65 3mbk h ILE 470 Cb 1.27 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 3mbk h ILE 470 CO 0.10 0.12 0.57 -0.07 0.00 0.00 0.00 178.15 178.87 3mbk h LEU 471 N 0.65 0.96 -0.36 1.44 3.38 -0.72 -0.76 115.31 119.90 3mbk h LEU 471 Ca 0.18 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3mbk h LEU 471 Cb -0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3mbk h LEU 471 CO -0.05 0.67 0.14 0.11 0.09 0.00 0.00 178.44 179.41 3mbk h LYS 472 N 1.12 0.30 -0.60 1.13 1.57 -0.88 -0.16 116.57 119.05 3mbk h LYS 472 Ca 0.34 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3mbk h LYS 472 Cb -0.04 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3mbk h LYS 472 CO -0.10 0.20 0.36 0.78 -0.57 0.00 0.00 179.45 180.12 3mbk h GLY 473 N 0.31 0.87 2.00 3.86 0.00 -0.79 -1.74 103.07 107.57 3mbk h GLY 473 Ca 0.16 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3mbk h GLY 473 CO -0.15 0.34 0.00 1.04 0.00 0.00 0.00 176.54 177.77 3mbk n LEU 474 N -4.41 0.07 -3.66 3.11 4.77 -0.34 -3.30 117.00 113.23 3mbk n LEU 474 Ca 0.06 0.51 -0.25 0.00 -0.03 0.00 0.00 56.01 56.30 3mbk n LEU 474 Cb 0.07 -0.50 0.07 0.00 -2.33 0.00 0.00 43.42 40.73 3mbk n LEU 474 CO 0.36 -0.16 0.22 0.00 -1.33 0.00 0.00 177.39 176.48 3mbk n GLN 475 N -1.57 -7.49 0.00 3.23 6.02 -0.46 -4.90 117.38 112.21 3mbk n GLN 475 Ca 0.05 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 3mbk n GLN 475 Cb 0.25 -5.81 0.00 0.00 1.02 0.00 0.00 30.24 25.70 3mbk n GLN 475 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3mbk n GLN 476 N -4.93 1.51 0.26 -1.09 1.13 -0.20 -4.79 117.38 109.26 3mbk n GLN 476 Ca 0.01 -1.02 0.13 0.00 -1.94 0.00 0.00 57.00 54.18 3mbk n GLN 476 Cb 0.56 -0.86 0.70 0.00 0.11 0.00 0.00 30.24 30.75 3mbk n GLN 476 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 3mbk h ASP 477 N 0.00 0.00 -0.54 1.08 2.03 -1.83 -0.33 116.42 116.83 3mbk h ASP 477 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3mbk h ASP 477 Cb 0.53 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 3mbk h ASP 477 CO 0.00 0.12 0.00 0.59 -1.03 0.00 0.00 179.24 178.92 3mbk n ASN 478 N -3.50 5.34 0.08 4.15 3.02 -1.26 -4.68 115.26 118.42 3mbk n ASN 478 Ca -0.01 -2.83 0.00 0.00 -0.03 0.00 0.00 54.58 51.71 3mbk n ASN 478 Cb 0.27 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 3mbk n ASN 478 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3mbk n HIS 479 N 0.62 -1.18 -2.54 3.10 -0.00 -0.49 -5.08 115.22 109.63 3mbk n HIS 479 Ca 0.26 0.21 -0.36 0.00 0.46 0.00 0.00 57.72 58.28 3mbk n HIS 479 Cb 1.11 0.37 -0.04 0.00 -0.12 0.00 0.00 29.99 31.31 3mbk n HIS 479 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3mbk s LEU 480 N -6.36 4.10 -0.13 0.27 1.43 -0.25 -5.05 118.68 112.68 3mbk s LEU 480 Ca 0.00 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.15 3mbk s LEU 480 Cb 0.00 -4.24 0.01 0.00 0.03 0.00 0.00 46.19 42.00 3mbk s LEU 480 CO 0.00 -0.53 -0.20 -0.54 0.23 0.00 0.00 176.35 175.31 3mbk s LYS 481 N -2.60 2.76 0.11 1.70 -0.14 -1.26 -4.77 119.74 115.55 3mbk s LYS 481 Ca 0.59 -0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 54.14 3mbk s LYS 481 Cb -0.21 -2.25 -0.07 0.00 -1.68 0.00 0.00 37.83 33.62 3mbk s LYS 481 CO 0.27 -0.02 1.19 0.42 -0.76 0.00 0.00 175.35 176.44 3mbk s ILE 482 N 0.85 3.88 -0.46 2.17 1.01 0.62 -4.42 121.20 124.84 3mbk s ILE 482 Ca -0.07 1.43 -0.20 0.00 0.00 0.00 0.00 60.65 61.81 3mbk s ILE 482 Cb -0.15 -3.91 0.04 0.00 0.01 0.00 0.00 42.46 38.44 3mbk s ILE 482 CO -0.01 0.16 0.61 -0.13 0.00 0.00 0.00 174.94 175.56 3mbk s ARG 483 N 0.56 3.19 -0.26 2.79 0.52 -0.17 -0.00 118.95 125.58 3mbk s ARG 483 Ca 0.56 -0.61 -0.26 0.00 -0.52 0.00 0.00 55.73 54.90 3mbk s ARG 483 Cb -0.30 -4.01 0.00 0.00 0.52 0.00 0.00 34.95 31.16 3mbk s ARG 483 CO 0.32 -1.07 0.91 0.08 0.02 0.00 0.00 175.30 175.56 3mbk s VAL 484 N 2.67 4.74 -0.30 3.52 1.01 -1.26 -1.29 120.40 129.48 3mbk s VAL 484 Ca 0.18 1.63 0.01 0.00 0.00 0.00 0.00 61.98 63.80 3mbk s VAL 484 Cb -0.16 -4.21 0.09 0.00 0.00 0.00 0.00 36.38 32.09 3mbk s VAL 484 CO 0.16 -0.20 0.05 -0.70 0.00 0.00 0.00 175.10 174.41 3mbk s GLU 485 N 3.07 1.13 0.64 2.72 2.56 0.02 -4.66 118.70 124.18 3mbk s GLU 485 Ca 0.38 -1.31 0.39 0.00 0.00 0.00 0.00 54.97 54.43 3mbk s GLU 485 Cb -0.14 -2.50 2.17 0.00 2.00 0.00 0.00 34.13 35.65 3mbk s GLU 485 CO 0.09 -0.89 2.30 -1.35 -0.56 0.00 0.00 175.26 174.85 3mbk h PRO 486 N 7.91 0.00 0.00 4.30 0.11 -1.83 -0.24 132.00 142.25 3mbk h PRO 486 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3mbk h PRO 486 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3mbk h PRO 486 CO 0.47 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.04 3mbk h GLY 487 N 0.00 0.00 0.41 -0.55 0.00 -1.87 -1.02 103.07 100.05 3mbk h GLY 487 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3mbk h GLY 487 CO -0.00 0.00 -0.19 1.04 0.00 0.00 0.00 176.54 177.39 3mbk n LEU 488 N -2.70 0.87 -4.74 3.11 4.77 -0.10 -4.56 117.00 113.64 3mbk n LEU 488 Ca -0.02 -0.19 -0.37 0.00 -0.03 0.00 0.00 56.01 55.40 3mbk n LEU 488 Cb 0.07 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 3mbk n LEU 488 CO 0.16 0.16 0.91 0.12 -1.33 0.00 0.00 177.39 177.42 3mbk s PHE 489 N -2.45 2.26 1.21 -1.77 5.36 -0.39 -4.66 117.98 117.54 3mbk s PHE 489 Ca 0.27 1.46 -0.18 0.00 -0.96 0.00 0.00 56.93 57.51 3mbk s PHE 489 Cb 0.20 -3.67 0.29 0.00 -0.34 0.00 0.00 43.02 39.50 3mbk s PHE 489 CO 0.49 -2.68 1.07 -1.83 -1.46 0.00 0.00 175.22 170.81 3mbk s GLU 490 N -3.17 -1.28 0.00 10.12 -1.05 -1.26 -4.88 118.70 117.18 3mbk s GLU 490 Ca 0.77 0.10 -0.34 0.00 -0.15 0.00 0.00 54.97 55.35 3mbk s GLU 490 Cb -0.36 -1.57 -0.12 0.00 -0.44 0.00 0.00 34.13 31.63 3mbk s GLU 490 CO 0.41 -3.79 1.80 1.87 0.95 0.00 0.00 175.26 176.50 3mbk n TRP 491 N -4.84 2.34 0.40 4.83 -0.00 -1.26 -4.83 117.44 114.08 3mbk n TRP 491 Ca 0.11 0.04 0.10 0.00 -0.00 0.00 0.00 57.50 57.75 3mbk n TRP 491 Cb 0.59 -2.64 0.43 0.00 -0.00 0.00 0.00 31.31 29.69 3mbk n TRP 491 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 3mbk n THR 492 N 4.65 0.93 0.01 5.87 -2.24 -1.26 -1.58 114.28 120.65 3mbk n THR 492 Ca 0.21 0.28 0.21 0.00 -2.27 0.00 0.00 64.05 62.47 3mbk n THR 492 Cb 0.30 -1.17 0.71 0.00 -2.10 0.00 0.00 70.33 68.08 3mbk n THR 492 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3mbk h LYS 493 N 0.00 0.00 -0.01 -0.78 3.64 -1.82 -1.84 116.57 115.76 3mbk h LYS 493 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3mbk h LYS 493 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3mbk h LYS 493 CO 0.00 0.00 -0.03 0.91 -2.27 0.00 0.00 179.45 178.06 3mbk n TRP 494 N -4.23 0.00 -3.01 1.91 8.01 -0.62 -4.76 117.44 114.74 3mbk n TRP 494 Ca 0.09 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.89 3mbk n TRP 494 Cb 0.62 -0.05 -0.05 0.00 -2.01 0.00 0.00 31.31 29.81 3mbk n TRP 494 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3mbk s VAL 495 N -2.14 4.90 0.30 -0.99 1.01 -0.69 -5.05 120.40 117.74 3mbk s VAL 495 Ca 0.39 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 3mbk s VAL 495 Cb 0.21 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 3mbk s VAL 495 CO 0.39 0.30 1.55 0.00 0.00 0.00 0.00 175.10 177.34 3mbk s ALA 496 N 0.41 3.70 0.00 5.51 0.00 -1.26 -4.88 121.76 125.23 3mbk s ALA 496 Ca 0.38 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.88 3mbk s ALA 496 Cb -0.19 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3mbk s ALA 496 CO 0.21 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.42 3mbk n GLY 497 N 1.89 -1.04 0.50 0.00 0.00 -1.26 -4.50 105.19 100.78 3mbk n GLY 497 Ca 0.07 -1.34 0.06 0.00 0.00 0.00 0.00 46.02 44.80 3mbk n GLY 497 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mbk n SER 498 N 0.36 2.10 -4.15 1.61 3.41 -1.26 -4.98 113.62 110.71 3mbk n SER 498 Ca 0.00 -1.55 -0.14 0.00 -0.26 0.00 0.00 58.87 56.93 3mbk n SER 498 Cb 0.00 -0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 63.82 3mbk n SER 498 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mbk s THR 499 N -1.00 0.81 0.74 6.66 -4.23 -1.26 -4.91 115.64 112.44 3mbk s THR 499 Ca 0.15 -1.54 -0.13 0.00 -1.18 0.00 0.00 61.69 58.99 3mbk s THR 499 Cb 0.10 -1.22 0.04 0.00 1.34 0.00 0.00 72.50 72.76 3mbk s THR 499 CO 0.15 -0.56 1.13 -0.76 -0.54 0.00 0.00 174.62 174.04 3mbk s LEU 500 N -2.31 3.20 0.54 4.79 1.43 -1.26 -4.85 118.68 120.21 3mbk s LEU 500 Ca 0.03 2.03 -0.21 0.00 -1.03 0.00 0.00 54.13 54.95 3mbk s LEU 500 Cb -0.03 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.57 3mbk s LEU 500 CO -0.01 -2.05 1.03 -2.65 0.23 0.00 0.00 176.35 172.90 3mbk n PRO 501 N -3.05 1.16 -2.50 1.29 -0.02 -1.26 -4.89 135.00 125.74 3mbk n PRO 501 Ca 0.11 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 3mbk n PRO 501 Cb 0.52 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3mbk n PRO 501 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mbk n ALA 502 N -1.25 3.92 -1.75 3.55 0.00 -1.26 -4.98 120.51 118.73 3mbk n ALA 502 Ca 0.12 -3.91 -0.39 0.00 0.00 0.00 0.00 53.44 49.26 3mbk n ALA 502 Cb 0.45 -3.52 0.03 0.00 0.00 0.00 0.00 19.45 16.41 3mbk n ALA 502 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3mbk s TRP 503 N 3.68 2.35 -0.11 0.00 0.51 -1.26 -4.92 118.94 119.19 3mbk s TRP 503 Ca 0.51 1.35 -0.30 0.00 -2.12 0.00 0.00 56.10 55.54 3mbk s TRP 503 Cb 0.05 -3.82 -0.03 0.00 -0.81 0.00 0.00 33.47 28.86 3mbk s TRP 503 CO 0.04 -2.87 1.27 0.42 -0.51 0.00 0.00 176.95 175.30 3mbk s ILE 504 N -1.28 4.19 0.70 2.03 1.01 -1.26 -5.00 121.20 121.60 3mbk s ILE 504 Ca 0.68 1.48 -0.14 0.00 0.00 0.00 0.00 60.65 62.68 3mbk s ILE 504 Cb -0.41 -3.96 0.02 0.00 0.01 0.00 0.00 42.46 38.13 3mbk s ILE 504 CO 0.50 -0.07 1.11 -2.16 0.00 0.00 0.00 174.94 174.32 3mbk s PRO 505 N 2.97 2.54 0.33 2.79 0.04 -1.26 -4.67 135.00 137.74 3mbk s PRO 505 Ca 0.57 1.36 0.08 0.00 0.04 0.00 0.00 61.00 63.05 3mbk s PRO 505 Cb -0.24 -1.92 0.80 0.00 0.04 0.00 0.00 34.50 33.18 3mbk s PRO 505 CO 0.19 -1.45 1.80 -1.35 0.04 0.00 0.00 177.00 176.23 3mbk h PRO 506 N -0.37 0.69 -0.63 0.56 0.11 -1.96 -0.08 132.00 130.32 3mbk h PRO 506 Ca -0.46 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.70 3mbk h PRO 506 Cb 1.25 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 3mbk h PRO 506 CO 0.53 0.45 0.26 0.66 -0.21 0.00 0.00 178.00 179.69 3mbk h SER 507 N 0.71 0.30 0.31 -2.05 4.64 -1.91 -0.33 113.55 115.23 3mbk h SER 507 Ca 0.54 0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.75 3mbk h SER 507 Cb 0.92 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3mbk h SER 507 CO -0.32 0.18 -0.75 -0.33 -0.87 0.00 0.00 176.83 174.75 3mbk h GLU 508 N 0.47 0.36 -0.55 4.77 5.08 -1.42 -1.98 114.58 121.31 3mbk h GLU 508 Ca 0.31 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3mbk h GLU 508 Cb 0.35 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3mbk h GLU 508 CO -0.28 0.95 0.30 -0.07 -1.00 0.00 0.00 179.01 178.91 3mbk h LEU 509 N 0.24 0.69 -0.82 1.33 3.38 -0.76 -1.03 115.31 118.36 3mbk h LEU 509 Ca -0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3mbk h LEU 509 Cb 1.32 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 3mbk h LEU 509 CO 0.13 0.59 0.44 0.00 0.09 0.00 0.00 178.44 179.68 3mbk h ALA 510 N 1.13 1.05 0.00 1.53 0.00 -1.01 -1.90 119.26 120.05 3mbk h ALA 510 Ca 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3mbk h ALA 510 Cb 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3mbk h ALA 510 CO -0.03 0.56 -0.13 0.00 0.00 0.00 0.00 179.25 179.65 3mbk h ALA 511 N 1.23 1.26 -0.30 0.00 0.00 -0.90 -1.75 119.26 118.80 3mbk h ALA 511 Ca 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3mbk h ALA 511 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3mbk h ALA 511 CO -0.04 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3mbk n ALA 512 N -2.28 2.82 -2.19 0.00 0.00 -0.43 -4.90 120.51 113.53 3mbk n ALA 512 Ca -0.02 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.53 3mbk n ALA 512 Cb 0.26 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 3mbk n ALA 512 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mbk n ASN 513 N 0.39 -4.18 -4.69 0.00 3.02 -0.66 -5.00 115.26 104.15 3mbk n ASN 513 Ca 0.12 0.01 -0.35 0.00 -0.03 0.00 0.00 54.58 54.33 3mbk n ASN 513 Cb 0.51 -3.33 -0.09 0.00 -0.61 0.00 0.00 39.78 36.26 3mbk n ASN 513 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mbk s LEU 514 N -3.78 4.08 -1.17 3.41 1.43 -0.86 -4.99 118.68 116.78 3mbk s LEU 514 Ca 0.00 0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 53.14 3mbk s LEU 514 Cb 0.00 -2.05 -0.06 0.00 0.03 0.00 0.00 46.19 44.10 3mbk s LEU 514 CO 0.00 0.16 2.27 -1.20 0.23 0.00 0.00 176.35 177.81 3mbk n SER 515 N 3.62 4.76 -4.89 2.29 7.64 -1.26 -3.82 113.62 121.97 3mbk n SER 515 Ca -0.16 -2.62 -0.33 0.00 1.01 0.00 0.00 58.87 56.77 3mbk n SER 515 Cb 0.52 -1.35 -0.05 0.00 -1.01 0.00 0.00 64.21 62.32 3mbk n SER 515 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mbk s VAL 516 N 3.53 5.26 -0.56 0.44 1.01 -1.26 -0.27 120.40 128.55 3mbk s VAL 516 Ca 0.53 0.08 -0.24 0.00 0.00 0.00 0.00 61.98 62.35 3mbk s VAL 516 Cb 0.14 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.97 3mbk s VAL 516 CO -0.01 0.25 0.94 -0.62 0.00 0.00 0.00 175.10 175.65 3mbk s ASP 517 N -1.99 6.33 0.00 3.32 -1.08 1.00 -4.64 116.67 119.60 3mbk s ASP 517 Ca 0.32 -0.40 0.22 0.00 -0.52 0.00 0.00 52.55 52.17 3mbk s ASP 517 Cb -0.13 -2.43 0.97 0.00 -1.46 0.00 0.00 42.92 39.87 3mbk s ASP 517 CO 0.20 -1.23 1.71 0.35 0.52 0.00 0.00 175.17 176.71 3mbk n THR 518 N 6.17 0.46 1.05 1.71 -2.24 -1.26 -2.83 114.28 117.34 3mbk n THR 518 Ca 0.01 0.12 0.11 0.00 -2.27 0.00 0.00 64.05 62.02 3mbk n THR 518 Cb 0.47 -0.74 0.14 0.00 -2.10 0.00 0.00 70.33 68.10 3mbk n THR 518 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3mbk n THR 519 N -1.46 0.00 -2.05 4.28 -2.24 -1.26 -4.91 114.28 106.63 3mbk n THR 519 Ca 0.06 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 3mbk n THR 519 Cb 0.24 0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 3mbk n THR 519 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3mbk s TYR 520 N -2.84 3.12 -0.40 4.78 5.04 -1.13 -4.98 117.35 120.94 3mbk s TYR 520 Ca 0.14 0.88 -0.15 0.00 -2.44 0.00 0.00 57.07 55.50 3mbk s TYR 520 Cb 0.17 -3.80 0.01 0.00 0.35 0.00 0.00 41.96 38.70 3mbk s TYR 520 CO 0.70 -2.77 0.32 1.03 -1.34 0.00 0.00 175.55 173.49 3mbk s ARG 521 N 0.61 3.12 0.66 4.97 0.52 -1.26 -4.97 118.95 122.59 3mbk s ARG 521 Ca 0.64 -0.87 -0.15 0.00 -0.52 0.00 0.00 55.73 54.84 3mbk s ARG 521 Cb -0.41 -3.94 -0.00 0.00 0.52 0.00 0.00 34.95 31.12 3mbk s ARG 521 CO 0.35 -0.71 1.10 -1.25 0.02 0.00 0.00 175.30 174.80 3mbk s PRO 522 N 1.80 2.85 0.11 3.54 0.04 -1.26 -4.96 135.00 137.13 3mbk s PRO 522 Ca 0.07 1.32 -0.05 0.00 0.04 0.00 0.00 61.00 62.38 3mbk s PRO 522 Cb -0.18 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.26 3mbk s PRO 522 CO 0.11 -1.20 1.26 0.45 0.04 0.00 0.00 177.00 177.66 3mbk h HIS 523 N -0.02 0.62 -3.44 0.56 3.86 -1.97 -3.39 115.15 111.36 3mbk h HIS 523 Ca -0.46 -0.36 -0.62 0.00 -1.16 0.00 0.00 60.37 57.77 3mbk h HIS 523 Cb 1.24 -0.06 -0.40 0.00 1.06 0.00 0.00 27.41 29.25 3mbk h HIS 523 CO 0.56 1.20 -0.74 0.42 0.86 0.00 0.00 177.93 180.22 3mbk s ILE 524 N -3.14 1.58 0.88 2.45 1.01 -1.26 -5.03 121.20 117.70 3mbk s ILE 524 Ca -0.06 -1.82 -0.11 0.00 0.00 0.00 0.00 60.65 58.66 3mbk s ILE 524 Cb 0.08 -2.15 0.12 0.00 0.01 0.00 0.00 42.46 40.53 3mbk s ILE 524 CO 0.87 -0.59 1.09 -2.16 0.00 0.00 0.00 174.94 174.16 3mbk s PRO 525 N 1.27 1.35 0.22 2.79 0.04 -1.26 -2.98 135.00 136.43 3mbk s PRO 525 Ca 0.09 0.84 -0.09 0.00 0.04 0.00 0.00 61.00 61.88 3mbk s PRO 525 Cb -0.18 -1.82 0.35 0.00 0.04 0.00 0.00 34.50 32.89 3mbk s PRO 525 CO -0.16 -2.18 1.67 0.28 0.04 0.00 0.00 177.00 176.65 3mbk h VAL 526 N -1.51 0.51 0.00 -0.36 2.07 -1.97 -0.54 116.25 114.45 3mbk h VAL 526 Ca -0.49 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3mbk h VAL 526 Cb 1.28 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3mbk h VAL 526 CO 0.54 0.03 0.00 -1.20 0.02 0.00 0.00 177.57 176.97 3mbk n SER 527 N -5.23 0.00 0.02 0.57 7.64 -1.26 -1.72 113.62 113.64 3mbk n SER 527 Ca 0.11 -1.14 0.12 0.00 1.01 0.00 0.00 58.87 58.97 3mbk n SER 527 Cb 0.39 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.84 3mbk n SER 527 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3mbk n LYS 528 N -0.86 0.08 -2.81 1.43 4.76 -0.21 -4.88 118.16 115.68 3mbk n LYS 528 Ca 0.15 0.02 -0.39 0.00 -2.87 0.00 0.00 58.31 55.23 3mbk n LYS 528 Cb 0.07 -1.55 -0.06 0.00 -1.84 0.00 0.00 35.03 31.65 3mbk n LYS 528 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3mbk s LEU 529 N -3.34 4.54 -0.12 -0.35 1.43 -0.70 -5.01 118.68 115.13 3mbk s LEU 529 Ca 0.10 1.85 -0.00 0.00 -1.03 0.00 0.00 54.13 55.05 3mbk s LEU 529 Cb 0.16 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 3mbk s LEU 529 CO 0.69 0.10 -0.11 0.00 0.23 0.00 0.00 176.35 177.26 3mbk s ALA 530 N -1.32 2.72 0.42 4.21 0.00 -1.26 -5.00 121.76 121.53 3mbk s ALA 530 Ca 0.43 -0.89 0.35 0.00 0.00 0.00 0.00 51.96 51.85 3mbk s ALA 530 Cb -0.23 -1.25 1.75 0.00 0.00 0.00 0.00 23.12 23.39 3mbk s ALA 530 CO 0.28 0.30 2.15 0.97 0.00 0.00 0.00 175.76 179.47 3mbk h ILE 531 N 5.14 0.23 -0.65 0.00 6.09 -1.91 -2.67 117.51 123.74 3mbk h ILE 531 Ca -0.31 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 62.84 3mbk h ILE 531 Cb 1.20 1.27 0.00 0.00 0.47 0.00 0.00 36.82 39.76 3mbk h ILE 531 CO 0.56 0.05 0.00 -1.54 -3.07 0.00 0.00 178.15 174.15 3mbk n SER 532 N -3.32 4.57 -4.72 2.19 3.41 -1.26 -4.29 113.62 110.20 3mbk n SER 532 Ca -0.02 -2.38 -0.40 0.00 -0.26 0.00 0.00 58.87 55.81 3mbk n SER 532 Cb 0.20 -0.56 0.02 0.00 -0.26 0.00 0.00 64.21 63.61 3mbk n SER 532 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3mbk n GLU 533 N 1.18 1.88 -1.69 4.33 0.28 -1.01 -4.99 120.64 120.63 3mbk n GLU 533 Ca 0.25 0.68 -0.30 0.00 -0.16 0.00 0.00 57.16 57.63 3mbk n GLU 533 Cb 0.84 -2.46 0.07 0.00 1.43 0.00 0.00 31.44 31.32 3mbk n GLU 533 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3mbk s SER 534 N -0.64 4.89 0.17 -1.84 1.04 -1.26 -4.63 113.70 111.43 3mbk s SER 534 Ca 0.64 1.24 -0.16 0.00 0.48 0.00 0.00 55.95 58.15 3mbk s SER 534 Cb -0.47 -2.00 0.12 0.00 0.10 0.00 0.00 66.02 63.77 3mbk s SER 534 CO 0.55 -1.71 1.70 0.22 0.98 0.00 0.00 173.24 174.98 3mbk h TYR 535 N -0.91 -0.02 -0.54 5.02 3.20 -2.00 -1.63 116.97 120.09 3mbk h TYR 535 Ca -0.46 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.53 3mbk h TYR 535 Cb 1.26 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 39.53 3mbk h TYR 535 CO 0.48 -0.08 0.12 0.22 -1.64 0.00 0.00 178.16 177.26 3mbk h ASP 536 N 0.11 0.02 -0.72 -2.11 3.58 -1.99 -0.93 116.42 114.38 3mbk h ASP 536 Ca 0.20 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 3mbk h ASP 536 Cb 0.29 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 3mbk h ASP 536 CO -0.34 0.03 0.43 0.74 -2.88 0.00 0.00 179.24 177.22 3mbk h THR 537 N 0.26 1.21 0.07 2.25 2.02 -1.79 -0.27 112.91 116.66 3mbk h THR 537 Ca 0.28 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 3mbk h THR 537 Cb 0.38 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3mbk h THR 537 CO -0.35 0.22 -0.03 0.22 0.37 0.00 0.00 175.52 175.95 3mbk h TYR 538 N 0.98 -0.09 -0.33 3.16 3.20 -0.67 0.08 116.97 123.31 3mbk h TYR 538 Ca 0.26 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 3mbk h TYR 538 Cb -0.02 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3mbk h TYR 538 CO -0.01 0.02 0.13 0.82 -1.64 0.00 0.00 178.16 177.48 3mbk h ILE 539 N -0.17 1.19 -0.70 1.81 1.08 -1.07 -1.70 117.51 117.94 3mbk h ILE 539 Ca -0.01 -0.59 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 3mbk h ILE 539 Cb 0.15 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 3mbk h ILE 539 CO 0.02 0.20 0.46 0.78 -0.69 0.00 0.00 178.15 178.92 3mbk h ASN 540 N 0.39 0.81 0.50 1.72 -0.26 -0.93 -1.84 115.58 115.97 3mbk h ASN 540 Ca 0.11 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.73 3mbk h ASN 540 Cb 0.20 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 3mbk h ASN 540 CO -0.01 0.59 -0.45 0.08 -1.06 0.00 0.00 177.43 176.59 3mbk h ARG 541 N 0.95 0.00 -0.41 0.81 0.11 -0.80 -0.59 114.38 114.45 3mbk h ARG 541 Ca 0.26 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.30 3mbk h ARG 541 Cb -0.11 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 30.96 3mbk h ARG 541 CO -0.06 0.45 0.12 0.77 0.10 0.00 0.00 179.97 181.35 3mbk h SER 542 N 0.00 0.61 -0.12 0.08 0.02 -0.84 -0.64 113.55 112.65 3mbk h SER 542 Ca -0.00 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3mbk h SER 542 Cb 0.82 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3mbk h SER 542 CO 0.06 0.67 0.06 0.15 -1.14 0.00 0.00 176.83 176.62 3mbk h PHE 543 N 0.53 0.17 -0.32 3.45 3.57 -1.03 -1.73 116.94 121.58 3mbk h PHE 543 Ca 0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3mbk h PHE 543 Cb 0.28 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3mbk h PHE 543 CO 0.01 0.22 0.16 0.37 -2.23 0.00 0.00 178.31 176.84 3mbk h GLN 544 N 0.07 0.46 -0.21 1.11 5.75 -0.94 -1.06 115.11 120.29 3mbk h GLN 544 Ca 0.04 -0.07 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 3mbk h GLN 544 Cb 0.11 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3mbk h GLN 544 CO -0.01 0.43 -0.34 -0.24 -2.65 0.00 0.00 178.83 176.03 3mbk h VAL 545 N 0.39 1.29 -0.49 2.39 3.04 -1.11 -1.73 116.25 120.02 3mbk h VAL 545 Ca 0.11 -1.43 -0.11 0.00 -1.01 0.00 0.00 66.70 64.26 3mbk h VAL 545 Cb 0.12 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 3mbk h VAL 545 CO -0.01 0.45 -0.13 0.74 -1.01 0.00 0.00 177.57 177.61 3mbk h THR 546 N 0.39 1.27 -0.94 3.17 2.02 -1.03 0.73 112.91 118.52 3mbk h THR 546 Ca 0.04 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 65.99 3mbk h THR 546 Cb 0.78 1.08 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 3mbk h THR 546 CO 0.06 0.44 0.61 0.11 0.37 0.00 0.00 175.52 177.11 3mbk h LYS 547 N 0.80 1.17 -0.29 6.66 1.57 -0.94 -0.38 116.57 125.16 3mbk h LYS 547 Ca 0.12 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 3mbk h LYS 547 Cb 0.69 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3mbk h LYS 547 CO 0.05 0.77 -0.38 0.93 -0.57 0.00 0.00 179.45 180.26 3mbk h GLU 548 N 1.20 0.68 0.01 3.15 5.08 -0.78 -0.14 114.58 123.79 3mbk h GLU 548 Ca 0.37 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3mbk h GLU 548 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3mbk h GLU 548 CO -0.11 0.94 -0.00 0.82 -1.00 0.00 0.00 179.01 179.66 3mbk h ILE 549 N 0.56 1.12 -0.60 3.13 2.04 -0.59 -1.46 117.51 121.72 3mbk h ILE 549 Ca 0.05 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.58 3mbk h ILE 549 Cb 0.90 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 3mbk h ILE 549 CO 0.08 0.10 0.33 0.40 0.00 0.00 0.00 178.15 179.06 3mbk h ILE 550 N -0.17 0.99 -0.50 -0.67 2.04 -0.94 -2.17 117.51 116.09 3mbk h ILE 550 Ca -0.00 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3mbk h ILE 550 Cb 0.17 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3mbk h ILE 550 CO 0.00 0.11 0.14 -1.28 0.00 0.00 0.00 178.15 177.13 3mbk h SER 551 N 0.63 0.74 1.25 1.72 0.87 -0.87 -1.45 113.55 116.44 3mbk h SER 551 Ca 0.26 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3mbk h SER 551 Cb 0.13 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3mbk h SER 551 CO -0.15 0.76 0.00 1.05 -0.53 0.00 0.00 176.83 177.96 3mbk h GLU 552 N 0.68 0.00 0.00 2.24 4.11 -1.03 -2.97 114.58 117.60 3mbk h GLU 552 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 3mbk h GLU 552 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3mbk h GLU 552 CO -0.00 0.00 -0.98 0.00 0.07 0.00 0.00 179.01 178.09 3mbk s LYS 554 N -3.08 4.13 -0.16 0.00 2.36 -0.57 -1.14 119.74 121.28 3mbk s LYS 554 Ca 0.06 2.58 0.00 0.00 -2.55 0.00 0.00 55.97 56.06 3mbk s LYS 554 Cb 0.16 -3.06 0.00 0.00 -1.05 0.00 0.00 37.83 33.87 3mbk s LYS 554 CO 0.82 -0.70 0.00 0.43 1.55 0.00 0.00 175.35 177.46 3mbk n SER 555 N 3.37 -5.13 -0.69 1.43 7.64 -1.26 -4.83 113.62 114.14 3mbk n SER 555 Ca 0.13 0.04 0.04 0.00 1.01 0.00 0.00 58.87 60.09 3mbk n SER 555 Cb 0.36 -2.77 0.20 0.00 -1.01 0.00 0.00 64.21 61.00 3mbk n SER 555 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3mbk n LYS 556 N -0.36 1.66 0.00 1.43 5.02 -0.29 -5.03 118.16 120.58 3mbk n LYS 556 Ca -0.02 -3.19 0.00 0.00 -2.02 0.00 0.00 58.31 53.08 3mbk n LYS 556 Cb 0.37 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3mbk n LYS 556 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mbk n GLY 557 N -1.14 3.92 0.12 0.72 0.00 -1.25 -4.94 105.19 102.63 3mbk n GLY 557 Ca 0.22 -1.30 0.12 0.00 0.00 0.00 0.00 46.02 45.06 3mbk n GLY 557 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mbk h ASN 558 N 0.00 0.00 -3.34 1.61 2.35 -1.93 -3.45 115.58 110.82 3mbk h ASN 558 Ca 0.00 -0.06 -0.66 0.00 -0.55 0.00 0.00 56.30 55.03 3mbk h ASN 558 Cb 0.00 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 38.11 3mbk h ASN 558 CO 0.00 0.03 -0.75 0.20 -1.65 0.00 0.00 177.43 175.26 3mbk s ASN 559 N -4.94 4.10 -0.06 5.81 0.01 -1.26 -1.69 114.94 116.92 3mbk s ASN 559 Ca 0.07 -0.30 0.05 0.00 -0.71 0.00 0.00 52.86 51.97 3mbk s ASN 559 Cb 0.11 -1.60 -0.01 0.00 0.41 0.00 0.00 41.25 40.16 3mbk s ASN 559 CO 0.68 0.17 -0.22 -0.63 -1.51 0.00 0.00 177.10 175.59 3mbk s ILE 560 N 0.30 1.79 -0.16 0.60 1.01 -0.58 -1.54 121.20 122.62 3mbk s ILE 560 Ca -0.09 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 3mbk s ILE 560 Cb -0.16 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 3mbk s ILE 560 CO 0.05 0.50 -0.11 -0.22 0.00 0.00 0.00 174.94 175.17 3mbk s LEU 561 N -0.01 2.74 -0.21 2.97 2.96 -0.14 -0.41 118.68 126.58 3mbk s LEU 561 Ca -0.06 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.42 3mbk s LEU 561 Cb -0.13 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 3mbk s LEU 561 CO 0.04 0.09 0.03 -0.63 -1.32 0.00 0.00 176.35 174.56 3mbk s ILE 562 N 0.79 4.16 -0.33 6.68 1.01 0.42 -0.59 121.20 133.35 3mbk s ILE 562 Ca -0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 3mbk s ILE 562 Cb -0.15 -2.90 0.05 0.00 0.01 0.00 0.00 42.46 39.46 3mbk s ILE 562 CO 0.01 0.40 0.07 -0.69 0.00 0.00 0.00 174.94 174.73 3mbk s VAL 563 N 1.11 3.48 0.00 2.92 1.01 -0.04 -1.17 120.40 127.71 3mbk s VAL 563 Ca 0.03 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.76 3mbk s VAL 563 Cb -0.14 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3mbk s VAL 563 CO 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 175.10 174.96 3mbk n ALA 564 N 4.74 0.00 -2.55 5.51 0.00 -0.09 -2.11 120.51 126.01 3mbk n ALA 564 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 3mbk n ALA 564 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 3mbk n ALA 564 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3mbk s HIS 565 N 2.51 2.45 0.27 0.00 3.76 -1.26 -1.27 115.29 121.75 3mbk s HIS 565 Ca 0.00 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 3mbk s HIS 565 Cb 0.00 -1.46 0.61 0.00 1.11 0.00 0.00 32.58 32.85 3mbk s HIS 565 CO 0.00 0.54 1.70 0.00 -0.85 0.00 0.00 174.74 176.13 3mbk h ALA 566 N 1.94 1.25 0.00 -1.40 0.00 -1.90 -0.76 119.26 118.39 3mbk h ALA 566 Ca -0.42 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3mbk h ALA 566 Cb 1.25 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3mbk h ALA 566 CO 0.71 -0.31 0.00 0.66 0.00 0.00 0.00 179.25 180.31 3mbk h SER 567 N 0.38 0.00 0.68 0.00 4.64 -1.96 -3.24 113.55 114.05 3mbk h SER 567 Ca 0.50 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.69 3mbk h SER 567 Cb 0.89 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 3mbk h SER 567 CO -0.50 0.00 -0.63 0.28 -0.87 0.00 0.00 176.83 175.11 3mbk h SER 568 N 0.00 0.00 -0.17 4.97 0.02 -1.51 -1.41 113.55 115.45 3mbk h SER 568 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3mbk h SER 568 Cb 0.53 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3mbk h SER 568 CO 0.00 0.63 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.23 3mbk h LEU 569 N 0.00 -0.11 0.15 5.07 4.07 -1.66 -0.73 115.31 122.09 3mbk h LEU 569 Ca -0.01 0.04 -0.23 0.00 0.08 0.00 0.00 57.88 57.77 3mbk h LEU 569 Cb 1.14 0.09 0.02 0.00 1.08 0.00 0.00 40.66 42.98 3mbk h LEU 569 CO 0.08 -0.03 -1.08 -0.08 -1.08 0.00 0.00 178.44 176.25 3mbk h GLU 570 N 0.03 0.31 -0.94 1.13 4.81 -1.80 -3.27 114.58 114.85 3mbk h GLU 570 Ca 0.08 -0.53 0.08 0.00 -0.13 0.00 0.00 59.36 58.86 3mbk h GLU 570 Cb 0.11 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 3mbk h GLU 570 CO -0.16 1.25 0.61 0.00 -0.73 0.00 0.00 179.01 179.98 3mbk h ALA 571 N 0.05 1.51 0.00 2.92 0.00 -1.19 -0.19 119.26 122.36 3mbk h ALA 571 Ca -0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3mbk h ALA 571 Cb 1.74 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3mbk h ALA 571 CO 0.14 0.33 -0.09 0.00 0.00 0.00 0.00 179.25 179.63 3mbk n THR 573 N -3.14 0.00 0.26 0.00 -2.24 -0.79 -4.57 114.28 103.80 3mbk n THR 573 Ca 0.03 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 3mbk n THR 573 Cb 0.51 0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 69.24 3mbk n THR 573 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mbk h GLN 575 N -0.79 0.00 -0.82 0.00 4.20 -1.84 -2.24 115.11 113.63 3mbk h GLN 575 Ca -0.07 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.72 3mbk h GLN 575 Cb 0.52 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 3mbk h GLN 575 CO 0.11 0.26 0.53 1.25 -0.67 0.00 0.00 178.83 180.31 3mbk h LEU 576 N 0.00 0.74 -0.46 1.46 5.85 -1.79 -0.02 115.31 121.09 3mbk h LEU 576 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3mbk h LEU 576 Cb 0.71 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3mbk h LEU 576 CO 0.03 0.46 0.00 0.00 -0.34 0.00 0.00 178.44 178.59 3mbk n GLN 577 N -4.50 1.31 -0.88 1.25 6.02 -0.92 -4.42 117.38 115.25 3mbk n GLN 577 Ca 0.13 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.66 3mbk n GLN 577 Cb 0.27 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.12 3mbk n GLN 577 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mbk n GLY 578 N 1.01 0.77 3.87 1.08 0.00 -0.02 -4.87 105.19 107.03 3mbk n GLY 578 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3mbk n GLY 578 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mbk s LEU 579 N 0.00 3.49 -0.05 0.99 1.43 -0.89 -4.97 118.68 118.68 3mbk s LEU 579 Ca 0.00 1.29 -0.25 0.00 -1.03 0.00 0.00 54.13 54.14 3mbk s LEU 579 Cb 0.00 -4.27 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 3mbk s LEU 579 CO 0.00 -0.68 0.76 -0.44 0.23 0.00 0.00 176.35 176.22 3mbk s SER 580 N -3.80 7.08 0.61 2.29 0.01 -1.26 -4.05 113.70 114.58 3mbk s SER 580 Ca 0.53 1.30 -0.19 0.00 1.31 0.00 0.00 55.95 58.90 3mbk s SER 580 Cb -0.11 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 3mbk s SER 580 CO 0.44 -0.13 1.25 -2.65 0.41 0.00 0.00 173.24 172.56 3mbk n PRO 581 N 3.73 1.23 -1.04 12.44 -0.02 -1.26 -5.01 135.00 145.08 3mbk n PRO 581 Ca 0.00 0.47 -0.29 0.00 -2.02 0.00 0.00 63.50 61.66 3mbk n PRO 581 Cb 0.51 -2.48 0.17 0.00 -0.02 0.00 0.00 33.50 31.69 3mbk n PRO 581 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3mbk s GLN 582 N -3.13 0.53 0.86 -0.52 -0.21 -1.26 -5.04 119.66 110.89 3mbk s GLN 582 Ca 0.79 0.76 -0.11 0.00 0.02 0.00 0.00 55.36 56.81 3mbk s GLN 582 Cb -0.40 -1.73 0.11 0.00 1.00 0.00 0.00 33.01 31.99 3mbk s GLN 582 CO 0.44 -2.72 1.09 0.54 -2.12 0.00 0.00 175.29 172.52 3mbk s ASN 583 N -3.22 3.86 0.39 5.90 2.20 -1.26 -4.82 114.94 117.99 3mbk s ASN 583 Ca 0.65 1.46 0.13 0.00 -0.94 0.00 0.00 52.86 54.16 3mbk s ASN 583 Cb -0.20 -2.16 0.80 0.00 -2.00 0.00 0.00 41.25 37.70 3mbk s ASN 583 CO 0.59 -2.39 1.88 0.77 -2.94 0.00 0.00 177.10 175.01 3mbk h SER 584 N -1.38 0.01 0.10 3.54 4.64 -1.98 -0.85 113.55 117.63 3mbk h SER 584 Ca -0.48 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3mbk h SER 584 Cb 1.27 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3mbk h SER 584 CO 0.56 0.32 -0.05 0.50 -0.87 0.00 0.00 176.83 177.28 3mbk h LYS 585 N 0.01 -0.13 -0.50 4.77 3.64 -2.00 -1.08 116.57 121.27 3mbk h LYS 585 Ca -0.00 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3mbk h LYS 585 Cb 0.55 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3mbk h LYS 585 CO 0.04 0.10 0.05 -0.44 -2.27 0.00 0.00 179.45 176.93 3mbk h ASP 586 N -0.35 0.76 0.07 4.20 3.32 -1.90 -2.32 116.42 120.19 3mbk h ASP 586 Ca -0.01 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 3mbk h ASP 586 Cb 0.29 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3mbk h ASP 586 CO 0.02 0.79 -0.04 0.15 -1.72 0.00 0.00 179.24 178.45 3mbk h PHE 587 N 0.76 -0.10 -0.63 4.55 3.57 -1.00 -2.03 116.94 122.06 3mbk h PHE 587 Ca 0.16 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 3mbk h PHE 587 Cb 0.39 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3mbk h PHE 587 CO 0.02 -0.06 0.15 0.28 -2.23 0.00 0.00 178.31 176.47 3mbk h VAL 588 N -0.10 1.25 -0.78 1.41 2.07 -1.01 -0.29 116.25 118.79 3mbk h VAL 588 Ca -0.01 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.62 3mbk h VAL 588 Cb 0.08 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 3mbk h VAL 588 CO 0.01 0.34 0.51 1.56 0.02 0.00 0.00 177.57 180.01 3mbk h GLN 589 N 0.94 1.04 -0.30 1.57 4.20 -1.26 -2.53 115.11 118.77 3mbk h GLN 589 Ca 0.20 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 3mbk h GLN 589 Cb 0.33 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 3mbk h GLN 589 CO 0.00 0.69 -0.29 1.98 -0.67 0.00 0.00 178.83 180.54 3mbk h MET 590 N 1.06 0.72 -0.67 1.46 4.05 -0.61 -3.21 114.93 117.74 3mbk h MET 590 Ca 0.29 -0.38 0.05 0.00 -0.28 0.00 0.00 59.70 59.38 3mbk h MET 590 Cb -0.11 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.67 3mbk h MET 590 CO -0.06 1.00 0.44 0.28 0.23 0.00 0.00 176.91 178.80 3mbk h VAL 591 N 0.47 1.04 0.00 -5.77 2.07 -0.68 -0.01 116.25 113.38 3mbk h VAL 591 Ca 0.05 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3mbk h VAL 591 Cb 0.87 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3mbk h VAL 591 CO 0.07 0.13 0.00 0.54 0.02 0.00 0.00 177.57 178.34 3mbk n ARG 592 N -4.47 0.04 0.00 1.57 1.74 -1.01 -2.36 116.66 112.17 3mbk n ARG 592 Ca 0.09 0.32 0.13 0.00 -0.77 0.00 0.00 57.85 57.61 3mbk n ARG 592 Cb 0.19 -1.58 0.26 0.00 -1.02 0.00 0.00 32.46 30.32 3mbk n ARG 592 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mbk n LYS 593 N -1.65 1.60 -3.19 5.56 5.02 -0.02 -4.89 118.16 120.59 3mbk n LYS 593 Ca 0.03 -1.16 -0.42 0.00 -2.02 0.00 0.00 58.31 54.74 3mbk n LYS 593 Cb 0.16 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 3mbk n LYS 593 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mbk s ILE 594 N -2.20 4.95 0.86 -0.18 -1.09 -1.00 -5.05 121.20 117.49 3mbk s ILE 594 Ca 0.28 0.31 -0.13 0.00 -2.23 0.00 0.00 60.65 58.88 3mbk s ILE 594 Cb 0.20 -4.04 0.12 0.00 -1.58 0.00 0.00 42.46 37.15 3mbk s ILE 594 CO 0.41 -0.33 1.22 -2.16 -1.23 0.00 0.00 174.94 172.85 3mbk s PRO 595 N 2.54 1.49 0.26 2.79 0.04 -1.26 -4.89 135.00 135.97 3mbk s PRO 595 Ca 0.20 -0.04 -0.30 0.00 0.04 0.00 0.00 61.00 60.91 3mbk s PRO 595 Cb -0.15 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 3mbk s PRO 595 CO 0.15 -1.90 1.26 0.66 0.04 0.00 0.00 177.00 177.21 3mbk n TYR 596 N -3.49 1.87 -1.03 0.56 4.01 -1.26 -0.79 117.16 117.02 3mbk n TYR 596 Ca 0.10 0.56 -0.01 0.00 -0.16 0.00 0.00 57.90 58.39 3mbk n TYR 596 Cb 0.60 -2.38 -0.00 0.00 -0.31 0.00 0.00 39.34 37.25 3mbk n TYR 596 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3mbk n LEU 597 N 1.61 0.78 -4.61 7.72 7.99 -0.88 -4.94 117.00 124.68 3mbk n LEU 597 Ca 0.10 0.03 -0.49 0.00 -0.01 0.00 0.00 56.01 55.64 3mbk n LEU 597 Cb 0.32 -2.37 -0.05 0.00 -0.11 0.00 0.00 43.42 41.21 3mbk n LEU 597 CO 0.62 -0.93 0.93 0.61 -1.51 0.00 0.00 177.39 177.11 3mbk n GLY 598 N 0.61 0.55 3.02 -0.72 0.00 0.03 -4.54 105.19 104.14 3mbk n GLY 598 Ca -0.01 0.63 -0.23 0.00 0.00 0.00 0.00 46.02 46.42 3mbk n GLY 598 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mbk s PHE 599 N 0.37 1.22 0.21 1.61 5.36 -1.26 -1.58 117.98 123.90 3mbk s PHE 599 Ca 0.79 -0.37 0.02 0.00 -0.96 0.00 0.00 56.93 56.42 3mbk s PHE 599 Cb -0.84 -0.88 -0.05 0.00 -0.34 0.00 0.00 43.02 40.91 3mbk s PHE 599 CO 0.46 -0.17 0.02 0.00 -1.46 0.00 0.00 175.22 174.08 3mbk s SER 601 N -3.23 1.22 -0.24 0.00 0.15 -1.26 -1.61 113.70 108.74 3mbk s SER 601 Ca 0.28 -0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 3mbk s SER 601 Cb 0.06 -0.52 0.03 0.00 -1.71 0.00 0.00 66.02 63.88 3mbk s SER 601 CO 0.07 -0.07 -0.09 0.00 1.20 0.00 0.00 173.24 174.36 3mbk s GLU 603 N 1.30 2.72 -0.35 0.00 -1.05 0.30 -0.58 118.70 121.04 3mbk s GLU 603 Ca -0.00 -0.62 -0.13 0.00 -0.15 0.00 0.00 54.97 54.06 3mbk s GLU 603 Cb -0.16 -2.62 -0.01 0.00 -0.44 0.00 0.00 34.13 30.89 3mbk s GLU 603 CO -0.06 0.63 0.25 -2.00 0.95 0.00 0.00 175.26 175.03 3mbk s GLU 604 N -1.40 3.44 0.22 -4.83 2.12 -0.20 -1.06 118.70 116.99 3mbk s GLU 604 Ca 0.18 -0.69 -0.07 0.00 0.36 0.00 0.00 54.97 54.75 3mbk s GLU 604 Cb -0.11 -3.82 0.30 0.00 0.26 0.00 0.00 34.13 30.75 3mbk s GLU 604 CO 0.08 -0.48 1.81 -0.07 -0.54 0.00 0.00 175.26 176.06 3mbk h LEU 605 N 8.50 0.59 0.00 2.70 -0.00 -1.85 -3.29 115.31 121.97 3mbk h LEU 605 Ca -0.31 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 3mbk h LEU 605 Cb 1.15 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 3mbk h LEU 605 CO 0.64 0.37 0.00 0.61 -0.00 0.00 0.00 178.44 180.06 3mbk n GLY 606 N -1.30 2.52 0.23 0.83 0.00 -1.26 -4.70 105.19 101.50 3mbk n GLY 606 Ca 0.10 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3mbk n GLY 606 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3mbk h GLU 607 N 0.00 0.00 0.00 1.61 5.08 -1.97 -3.39 114.58 115.91 3mbk h GLU 607 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mbk h GLU 607 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3mbk h GLU 607 CO 0.00 0.20 -0.40 0.25 -1.00 0.00 0.00 179.01 178.06 3mbk n THR 608 N -3.38 0.00 -0.90 1.13 -2.24 -1.26 -5.04 114.28 102.59 3mbk n THR 608 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3mbk n THR 608 Cb 0.41 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3mbk n THR 608 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mbk n GLY 609 N 1.16 0.69 3.71 3.38 0.00 -1.26 -5.03 105.19 107.84 3mbk n GLY 609 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3mbk n GLY 609 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mbk s ILE 610 N -2.64 5.05 0.23 -0.61 1.01 -1.26 -4.85 121.20 118.13 3mbk s ILE 610 Ca 0.00 1.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.72 3mbk s ILE 610 Cb 0.00 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.38 3mbk s ILE 610 CO 0.00 0.24 0.96 0.26 0.00 0.00 0.00 174.94 176.40 3mbk s TRP 611 N 0.95 3.92 -0.10 3.97 0.52 -1.26 -2.96 118.94 123.98 3mbk s TRP 611 Ca 0.35 1.88 -0.08 0.00 0.02 0.00 0.00 56.10 58.27 3mbk s TRP 611 Cb -0.17 -3.02 0.03 0.00 -1.15 0.00 0.00 33.47 29.16 3mbk s TRP 611 CO 0.16 0.31 0.26 1.14 0.02 0.00 0.00 176.95 178.84 3mbk s GLN 612 N -1.03 0.28 0.30 4.98 -2.07 -0.23 -4.41 119.66 117.47 3mbk s GLN 612 Ca 0.42 0.42 -0.30 0.00 -1.82 0.00 0.00 55.36 54.08 3mbk s GLN 612 Cb -0.26 0.07 -0.12 0.00 -1.09 0.00 0.00 33.01 31.61 3mbk s GLN 612 CO 0.33 -0.07 1.53 1.28 -1.32 0.00 0.00 175.29 177.03 3mbk n LEU 613 N 3.34 4.15 -4.13 2.60 4.77 -1.26 -0.54 117.00 125.93 3mbk n LEU 613 Ca -0.16 1.16 -0.12 0.00 -0.03 0.00 0.00 56.01 56.86 3mbk n LEU 613 Cb 0.57 -1.56 -0.07 0.00 -2.33 0.00 0.00 43.42 40.02 3mbk n LEU 613 CO 0.17 0.00 -0.04 0.28 -1.33 0.00 0.00 177.39 176.47 3mbk s THR 614 N -0.25 0.00 0.18 -5.08 -1.32 -0.01 -4.89 115.64 104.27 3mbk s THR 614 Ca 0.63 -1.75 -0.32 0.00 -1.21 0.00 0.00 61.69 59.04 3mbk s THR 614 Cb -0.52 -2.43 -0.10 0.00 -1.51 0.00 0.00 72.50 67.93 3mbk s THR 614 CO 0.52 0.00 1.60 -1.81 -2.21 0.00 0.00 174.62 172.72 3mbk s ASP 615 N -3.15 6.54 0.88 8.08 1.11 -1.26 -4.03 116.67 124.85 3mbk s ASP 615 Ca 0.33 2.68 -0.10 0.00 0.18 0.00 0.00 52.55 55.63 3mbk s ASP 615 Cb 0.03 -2.60 0.13 0.00 1.07 0.00 0.00 42.92 41.55 3mbk s ASP 615 CO 0.14 -0.86 1.12 -2.84 1.18 0.00 0.00 175.17 173.91 3mbk s PRO 616 N 1.13 1.30 0.00 8.23 0.02 -1.26 -4.88 135.00 139.54 3mbk s PRO 616 Ca 0.71 1.37 0.28 0.00 0.02 0.00 0.00 61.00 63.38 3mbk s PRO 616 Cb -0.45 -1.77 1.61 0.00 0.02 0.00 0.00 34.50 33.91 3mbk s PRO 616 CO 0.32 -2.38 2.05 -0.35 -0.33 0.00 0.00 177.00 176.31 3mbk n PRO 617 N -4.04 1.08 -4.40 5.54 -0.04 -1.26 -4.80 135.00 127.08 3mbk n PRO 617 Ca 0.10 -0.12 -0.26 0.00 -0.04 0.00 0.00 63.50 63.19 3mbk n PRO 617 Cb 0.53 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 3mbk n PRO 617 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3mbk s ILE 618 N -1.99 2.21 0.73 0.52 -4.36 -1.26 -4.86 121.20 112.18 3mbk s ILE 618 Ca 0.42 -1.97 -0.12 0.00 -0.26 0.00 0.00 60.65 58.72 3mbk s ILE 618 Cb 0.20 -2.03 0.03 0.00 1.25 0.00 0.00 42.46 41.90 3mbk s ILE 618 CO 0.33 -0.14 1.09 -0.76 0.24 0.00 0.00 174.94 175.70 3mbk s LEU 619 N -2.60 3.16 1.01 0.37 1.43 -1.26 -5.04 118.68 115.75 3mbk s LEU 619 Ca 0.19 1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 55.03 3mbk s LEU 619 Cb -0.08 -4.53 0.20 0.00 0.03 0.00 0.00 46.19 41.81 3mbk s LEU 619 CO 0.09 -1.84 1.08 -2.84 0.23 0.00 0.00 176.35 173.06 3mbk s PRO 620 N -4.64 0.32 -0.14 1.29 0.02 -1.26 -5.05 135.00 125.53 3mbk s PRO 620 Ca 0.63 0.93 -0.01 0.00 0.02 0.00 0.00 61.00 62.57 3mbk s PRO 620 Cb -0.18 -1.69 0.03 0.00 0.02 0.00 0.00 34.50 32.68 3mbk s PRO 620 CO 0.51 -2.92 -0.06 -1.17 -0.33 0.00 0.00 177.00 173.03 3mbk s LEU 621 N -6.69 1.34 -0.05 -5.54 2.96 -1.26 -5.13 118.68 104.32 3mbk s LEU 621 Ca 0.66 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3mbk s LEU 621 Cb -0.21 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.65 3mbk s LEU 621 CO 0.60 -0.16 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.52 3mbk s THR 622 N 1.69 0.67 0.15 3.68 2.01 -1.26 -4.99 115.64 117.60 3mbk s THR 622 Ca 0.03 -0.20 -0.11 0.00 0.31 0.00 0.00 61.69 61.72 3mbk s THR 622 Cb -0.14 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.70 3mbk s THR 622 CO -0.08 0.26 0.32 -1.38 -0.69 0.00 0.00 174.62 173.05 3mbk s HIS 623 N 0.90 0.21 0.29 4.92 -3.43 -1.26 -5.18 115.29 111.74 3mbk s HIS 623 Ca -0.11 -0.58 0.02 0.00 -0.80 0.00 0.00 55.06 53.59 3mbk s HIS 623 Cb -0.15 0.05 0.05 0.00 -1.43 0.00 0.00 32.58 31.10 3mbk s HIS 623 CO 0.01 -0.72 0.40 0.41 -2.00 0.00 0.00 174.74 172.83 3mbk n GLY 624 N -0.21 1.30 3.94 -1.38 0.00 -1.26 -5.12 105.19 102.46 3mbk n GLY 624 Ca -0.10 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.60 3mbk n GLY 624 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mbk s PRO 625 N -3.37 2.79 -0.31 1.61 0.04 -1.26 -5.08 135.00 129.43 3mbk s PRO 625 Ca 0.28 -0.33 0.01 0.00 0.04 0.00 0.00 61.00 61.00 3mbk s PRO 625 Cb -0.02 -2.38 0.09 0.00 0.04 0.00 0.00 34.50 32.23 3mbk s PRO 625 CO 0.18 -0.65 0.06 0.99 0.04 0.00 0.00 177.00 177.62 3mbk s THR 626 N -2.85 1.40 0.83 1.26 2.01 -1.26 -5.14 115.64 111.89 3mbk s THR 626 Ca 0.54 -1.66 -0.12 0.00 0.31 0.00 0.00 61.69 60.76 3mbk s THR 626 Cb -0.10 -2.00 0.09 0.00 0.01 0.00 0.00 72.50 70.50 3mbk s THR 626 CO 0.42 -0.57 1.11 -0.83 -0.69 0.00 0.00 174.62 174.05 3mbk s GLY 627 N 1.36 1.61 0.45 4.40 0.00 -1.26 -4.99 107.32 108.90 3mbk s GLY 627 Ca 0.08 -0.27 -0.25 0.00 0.00 0.00 0.00 44.72 44.28 3mbk s GLY 627 CO -0.17 0.19 1.36 0.61 0.00 0.00 0.00 173.10 175.09 3mbk n GLY 628 N -2.09 0.79 2.81 0.20 0.00 -1.26 -5.01 105.19 100.62 3mbk n GLY 628 Ca 0.07 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 3mbk n GLY 628 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mbk s PHE 629 N -1.21 -0.20 -0.39 1.61 5.36 -1.26 -5.10 117.98 116.80 3mbk s PHE 629 Ca 0.62 0.45 -0.06 0.00 -0.96 0.00 0.00 56.93 56.98 3mbk s PHE 629 Cb -0.47 -0.31 0.08 0.00 -0.34 0.00 0.00 43.02 41.98 3mbk s PHE 629 CO 0.57 -0.40 0.19 1.21 -1.46 0.00 0.00 175.22 175.32 3mbk s ASN 630 N 2.30 5.38 0.41 6.13 3.84 -1.26 -4.99 114.94 126.76 3mbk s ASN 630 Ca 0.04 -1.56 0.08 0.00 0.21 0.00 0.00 52.86 51.62 3mbk s ASN 630 Cb -0.13 -1.89 0.87 0.00 -0.55 0.00 0.00 41.25 39.54 3mbk s ASN 630 CO -0.08 -0.47 2.05 4.11 -2.79 0.00 0.00 177.10 179.91 3mbk h TRP 631 N 8.23 0.47 -0.64 0.43 5.08 -1.98 -1.87 115.95 125.66 3mbk h TRP 631 Ca -0.20 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.74 3mbk h TRP 631 Cb 1.07 -0.16 -0.03 0.00 -3.00 0.00 0.00 29.16 27.05 3mbk h TRP 631 CO 0.60 0.32 0.28 0.00 -1.28 0.00 0.00 178.44 178.36 3mbk h ARG 632 N 0.50 0.93 0.00 0.12 3.08 -1.96 0.18 114.38 117.23 3mbk h ARG 632 Ca 0.13 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3mbk h ARG 632 Cb -0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3mbk h ARG 632 CO -0.02 0.77 -0.45 0.93 -1.07 0.00 0.00 179.97 180.13 3mbk h GLU 633 N 0.88 0.00 0.00 0.04 5.08 -1.79 -3.22 114.58 115.57 3mbk h GLU 633 Ca 0.22 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.26 3mbk h GLU 633 Cb 0.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3mbk h GLU 633 CO -0.02 0.45 -2.20 2.41 -1.00 0.00 0.00 179.01 178.64 3mbk n THR 634 N -3.89 1.21 1.07 1.13 -1.04 -0.92 -4.56 114.28 107.27 3mbk n THR 634 Ca -0.01 -0.52 0.12 0.00 -2.04 0.00 0.00 64.05 61.60 3mbk n THR 634 Cb 0.49 -1.12 0.11 0.00 -1.82 0.00 0.00 70.33 67.99 3mbk n THR 634 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3mbk n LEU 635 N -3.03 2.22 -0.51 -4.42 4.77 0.60 -5.09 117.00 111.55 3mbk n LEU 635 Ca -0.36 -0.77 0.06 0.00 -0.03 0.00 0.00 56.01 54.92 3mbk n LEU 635 Cb 0.93 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 42.06 3mbk n LEU 635 CO 0.24 0.39 0.45 0.18 -1.33 0.00 0.00 177.39 177.32