#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 -0.46 3.85 -0.11 0.00 2.96 0.10 -1.61 118.68 123.41 3mbk s LEU 375 Ca 0.06 -0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 53.22 3mbk s LEU 375 Cb -0.11 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 3mbk s LEU 375 CO 0.00 -0.18 0.25 -0.36 -1.32 0.00 0.00 176.35 174.74 3mbk s PHE 376 N 1.53 3.57 -0.06 5.38 0.08 0.40 -0.44 117.98 128.44 3mbk s PHE 376 Ca 0.03 0.64 0.02 0.00 0.12 0.00 0.00 56.93 57.74 3mbk s PHE 376 Cb -0.17 -2.17 0.02 0.00 -0.57 0.00 0.00 43.02 40.13 3mbk s PHE 376 CO 0.03 0.52 -0.09 0.08 -0.10 0.00 0.00 175.22 175.66 3mbk s VAL 377 N -0.44 0.88 0.07 -0.44 1.01 -0.66 -0.36 120.40 120.47 3mbk s VAL 377 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3mbk s VAL 377 Cb -0.13 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3mbk s VAL 377 CO 0.05 0.30 -0.05 0.00 0.00 0.00 0.00 175.10 175.41 3mbk s ARG 379 N -3.75 4.04 1.11 0.00 3.52 -0.63 -0.92 118.95 122.32 3mbk s ARG 379 Ca 0.08 0.80 -0.14 0.00 -0.13 0.00 0.00 55.73 56.35 3mbk s ARG 379 Cb 0.06 -2.33 0.21 0.00 -1.56 0.00 0.00 34.95 31.33 3mbk s ARG 379 CO -0.07 0.05 0.78 -2.39 -0.81 0.00 0.00 175.30 172.86 3mbk n HIS 380 N -0.62 -0.98 -2.16 5.12 1.44 -0.40 -2.11 115.22 115.51 3mbk n HIS 380 Ca 0.05 0.02 -0.27 0.00 -2.01 0.00 0.00 57.72 55.51 3mbk n HIS 380 Cb 0.54 -1.73 0.11 0.00 0.12 0.00 0.00 29.99 29.03 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 -2.29 1.72 0.06 -1.39 0.00 -1.26 -2.00 107.32 102.15 3mbk s GLY 381 Ca 0.65 -1.13 -0.38 0.00 0.00 0.00 0.00 44.72 43.87 3mbk s GLY 381 CO 0.64 -0.57 1.20 -2.21 0.00 0.00 0.00 173.10 172.16 3mbk n GLU 382 N -3.20 0.64 -3.94 2.90 2.13 -1.26 -4.85 120.64 113.06 3mbk n GLU 382 Ca 0.11 0.23 -0.36 0.00 0.66 0.00 0.00 57.16 57.80 3mbk n GLU 382 Cb 0.60 -1.79 -0.07 0.00 0.27 0.00 0.00 31.44 30.45 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 0.19 3.51 0.31 5.31 1.70 -1.26 -1.34 118.95 127.36 3mbk s ARG 383 Ca 0.86 -0.20 -0.01 0.00 -0.47 0.00 0.00 55.73 55.91 3mbk s ARG 383 Cb -1.08 -3.16 0.48 0.00 -0.57 0.00 0.00 34.95 30.62 3mbk s ARG 383 CO 0.52 0.67 1.96 1.98 -1.08 0.00 0.00 175.30 179.34 3mbk h MET 384 N 5.36 1.00 -0.05 3.89 1.85 -1.37 -2.53 114.93 123.08 3mbk h MET 384 Ca -0.51 -0.08 -0.09 0.00 -0.61 0.00 0.00 59.70 58.41 3mbk h MET 384 Cb 1.21 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 33.01 3mbk h MET 384 CO 0.61 0.69 -0.38 0.38 -0.40 0.00 0.00 176.91 177.81 3mbk h ASP 385 N 1.02 0.10 -0.08 1.39 2.03 -1.89 -1.90 116.42 117.08 3mbk h ASP 385 Ca 0.27 -0.04 -0.08 0.00 -0.73 0.00 0.00 57.03 56.45 3mbk h ASP 385 Cb -0.06 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.41 3mbk h ASP 385 CO -0.05 0.48 -0.26 0.58 -1.03 0.00 0.00 179.24 178.95 3mbk h VAL 386 N 0.08 1.41 -0.22 4.15 2.07 -1.77 0.45 116.25 122.43 3mbk h VAL 386 Ca 0.01 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 3mbk h VAL 386 Cb 0.71 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3mbk h VAL 386 CO 0.05 0.47 0.10 0.58 0.02 0.00 0.00 177.57 178.79 3mbk h VAL 387 N -0.15 1.15 -0.02 2.57 2.07 -1.44 -3.26 116.25 117.17 3mbk h VAL 387 Ca -0.01 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3mbk h VAL 387 Cb 0.89 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3mbk h VAL 387 CO 0.06 0.15 -0.11 0.49 0.02 0.00 0.00 177.57 178.17 3mbk n PHE 388 N -4.82 0.00 -3.89 1.57 3.72 -0.72 -5.05 117.46 108.26 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 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 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 1.26 -1.74 0.34 1.37 0.00 0.15 -3.89 105.19 102.68 3mbk n GLY 389 Ca 0.12 -1.37 0.03 0.00 0.00 0.00 0.00 46.02 44.79 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 0.97 -0.92 1.61 3.64 -1.93 -1.88 116.57 118.06 3mbk h LYS 390 Ca 0.00 -0.06 -0.59 0.00 -1.27 0.00 0.00 60.65 58.73 3mbk h LYS 390 Cb 0.00 -0.22 -0.30 0.00 -0.41 0.00 0.00 32.23 31.31 3mbk h LYS 390 CO 0.00 0.64 0.56 0.66 -2.27 0.00 0.00 179.45 179.04 3mbk n TYR 391 N -4.61 2.97 0.07 1.91 4.02 -1.26 -4.74 117.16 115.53 3mbk n TYR 391 Ca 0.14 -2.56 0.03 0.00 -0.01 0.00 0.00 57.90 55.51 3mbk n TYR 391 Cb 0.22 -1.14 0.41 0.00 -0.02 0.00 0.00 39.34 38.81 3mbk n TYR 391 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 176.86 175.96 3mbk h TRP 392 N 1.71 0.36 -0.67 -0.72 5.08 -1.45 -2.40 115.95 117.86 3mbk h TRP 392 Ca 0.56 -0.02 0.03 0.00 1.08 0.00 0.00 58.89 60.54 3mbk h TRP 392 Cb 1.45 -0.11 -0.04 0.00 -3.00 0.00 0.00 29.16 27.46 3mbk h TRP 392 CO 1.38 0.35 0.44 -0.07 -1.28 0.00 0.00 178.44 179.26 3mbk h LEU 393 N 0.35 0.70 -1.49 0.11 3.38 -1.86 -0.51 115.31 115.99 3mbk h LEU 393 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3mbk h LEU 393 Cb 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3mbk h LEU 393 CO 0.00 0.48 0.00 0.77 0.09 0.00 0.00 178.44 179.78 3mbk h SER 394 N 0.81 0.00 -0.38 -0.43 4.64 -1.69 -0.27 113.55 116.23 3mbk h SER 394 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3mbk h SER 394 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3mbk h SER 394 CO -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 3mbk n GLN 395 N -2.76 2.07 -0.57 4.77 6.02 -0.20 -4.42 117.38 122.29 3mbk n GLN 395 Ca 0.00 -1.64 -0.01 0.00 -0.01 0.00 0.00 57.00 55.35 3mbk n GLN 395 Cb 0.22 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.07 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 0.41 0.49 0.00 0.08 -0.18 -2.02 117.98 116.76 3mbk s PHE 397 Ca 0.00 -0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.00 3mbk s PHE 397 Cb 0.00 -0.30 0.09 0.00 -0.57 0.00 0.00 43.02 42.24 3mbk s PHE 397 CO -0.00 -0.03 0.67 -0.40 -0.10 0.00 0.00 175.22 175.36 3mbk n ASP 398 N 3.16 1.13 0.10 1.36 5.68 -0.26 -4.64 116.55 123.08 3mbk n ASP 398 Ca -0.15 -1.90 0.10 0.00 -0.50 0.00 0.00 54.79 52.34 3mbk n ASP 398 Cb 0.57 -0.41 0.44 0.00 -1.14 0.00 0.00 41.12 40.58 3mbk n ASP 398 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mbk n ALA 399 N -2.81 1.55 -0.38 2.12 0.00 -1.26 -1.26 120.51 118.47 3mbk n ALA 399 Ca -0.11 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.51 3mbk n ALA 399 Cb 0.42 -1.33 0.33 0.00 0.00 0.00 0.00 19.45 18.88 3mbk n ALA 399 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mbk n LYS 400 N -2.04 2.83 -1.06 0.00 5.02 -1.26 -4.95 118.16 116.70 3mbk n LYS 400 Ca 0.02 -2.68 -0.02 0.00 -2.02 0.00 0.00 58.31 53.61 3mbk n LYS 400 Cb 0.18 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 33.57 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 1.61 0.52 3.85 0.72 0.00 -0.39 -5.01 105.19 106.50 3mbk n GLY 401 Ca 0.25 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.23 3.76 0.11 1.61 0.52 -1.26 -4.59 118.95 117.88 3mbk s ARG 402 Ca 0.00 0.23 -0.31 0.00 -0.52 0.00 0.00 55.73 55.13 3mbk s ARG 402 Cb 0.00 -3.18 -0.08 0.00 0.52 0.00 0.00 34.95 32.21 3mbk s ARG 402 CO 0.00 0.70 1.39 -0.47 0.02 0.00 0.00 175.30 176.94 3mbk s TYR 403 N -1.11 3.24 -0.21 -0.53 5.04 -1.26 -1.10 117.35 121.42 3mbk s TYR 403 Ca 0.23 0.95 -0.05 0.00 -2.44 0.00 0.00 57.07 55.75 3mbk s TYR 403 Cb -0.15 -3.68 0.10 0.00 0.35 0.00 0.00 41.96 38.58 3mbk s TYR 403 CO 0.12 -2.40 0.40 0.42 -1.34 0.00 0.00 175.55 172.74 3mbk s ILE 404 N 1.12 -0.62 0.30 3.14 1.01 -0.86 -4.93 121.20 120.36 3mbk s ILE 404 Ca 0.65 0.11 -0.28 0.00 0.00 0.00 0.00 60.65 61.12 3mbk s ILE 404 Cb -0.37 -0.69 -0.09 0.00 0.01 0.00 0.00 42.46 41.31 3mbk s ILE 404 CO 0.30 0.02 1.03 0.00 0.00 0.00 0.00 174.94 176.29 3mbk s ARG 405 N 2.58 4.60 0.00 2.79 1.70 -1.26 -4.34 118.95 125.02 3mbk s ARG 405 Ca 0.03 1.61 0.00 0.00 -0.47 0.00 0.00 55.73 56.90 3mbk s ARG 405 Cb -0.13 -3.04 0.00 0.00 -0.57 0.00 0.00 34.95 31.21 3mbk s ARG 405 CO -0.13 0.23 0.76 0.25 -1.08 0.00 0.00 175.30 175.32 3mbk n THR 406 N 0.94 0.55 -3.67 4.99 -2.24 -1.25 -5.04 114.28 108.56 3mbk n THR 406 Ca 0.00 -0.73 -0.15 0.00 -2.27 0.00 0.00 64.05 60.90 3mbk n THR 406 Cb 0.47 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.55 -0.40 0.00 3.42 3.84 -1.26 -5.04 114.94 114.95 3mbk s ASN 407 Ca 0.00 0.45 0.16 0.00 0.21 0.00 0.00 52.86 53.68 3mbk s ASN 407 Cb 0.00 0.50 0.68 0.00 -0.55 0.00 0.00 41.25 41.89 3mbk s ASN 407 CO 0.00 -0.46 1.50 0.18 -2.79 0.00 0.00 177.10 175.53 3mbk n LEU 408 N 1.39 0.00 -0.46 3.21 4.77 -1.26 -1.63 117.00 123.02 3mbk n LEU 408 Ca -0.19 0.49 0.11 0.00 -0.03 0.00 0.00 56.01 56.39 3mbk n LEU 408 Cb 0.56 -0.49 0.44 0.00 -2.33 0.00 0.00 43.42 41.61 3mbk n LEU 408 CO 0.21 -0.22 0.81 -3.20 -1.33 0.00 0.00 177.39 173.66 3mbk n ASN 409 N -1.49 1.39 -4.88 -1.43 5.15 -1.26 -4.83 115.26 107.92 3mbk n ASN 409 Ca 0.04 -1.62 -0.36 0.00 -0.60 0.00 0.00 54.58 52.04 3mbk n ASN 409 Cb 0.18 -0.07 -0.06 0.00 -0.53 0.00 0.00 39.78 39.30 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 -1.86 3.54 0.99 1.20 -1.94 -0.65 -1.10 119.30 119.49 3mbk s MET 410 Ca 0.33 -0.06 -0.13 0.00 -1.71 0.00 0.00 55.69 54.12 3mbk s MET 410 Cb 0.18 -3.15 0.18 0.00 2.01 0.00 0.00 34.83 34.05 3mbk s MET 410 CO 0.27 0.72 1.11 -1.25 -0.01 0.00 0.00 175.02 175.86 3mbk s PRO 411 N -1.35 0.47 0.49 2.03 0.04 -1.26 -4.79 135.00 130.63 3mbk s PRO 411 Ca 0.21 0.41 0.28 0.00 0.04 0.00 0.00 61.00 61.94 3mbk s PRO 411 Cb -0.13 -1.75 0.85 0.00 0.04 0.00 0.00 34.50 33.51 3mbk s PRO 411 CO 0.10 -2.68 1.79 0.45 0.04 0.00 0.00 177.00 176.71 3mbk h HIS 412 N -1.85 0.00 -3.60 0.56 3.86 -1.98 -3.45 115.15 108.70 3mbk h HIS 412 Ca -0.54 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.59 3mbk h HIS 412 Cb 1.33 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.65 3mbk h HIS 412 CO 0.21 0.03 -0.30 -1.54 0.86 0.00 0.00 177.93 177.19 3mbk s SER 413 N -5.98 -0.00 0.05 2.45 1.04 -1.26 -4.96 113.70 105.04 3mbk s SER 413 Ca 0.04 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.04 3mbk s SER 413 Cb 0.07 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 3mbk s SER 413 CO 0.61 -0.70 -0.11 -0.76 0.98 0.00 0.00 173.24 173.26 3mbk s LEU 414 N -2.58 2.24 0.63 2.42 1.43 -1.26 -5.15 118.68 116.41 3mbk s LEU 414 Ca 0.01 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 3mbk s LEU 414 Cb 0.02 -0.36 -0.02 0.00 0.03 0.00 0.00 46.19 45.86 3mbk s LEU 414 CO -0.09 -0.11 1.31 -2.84 0.23 0.00 0.00 176.35 174.85 3mbk s PRO 415 N -1.52 2.65 0.25 1.29 0.02 -1.26 -4.99 135.00 131.44 3mbk s PRO 415 Ca -0.05 2.09 -0.30 0.00 0.02 0.00 0.00 61.00 62.77 3mbk s PRO 415 Cb -0.09 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 3mbk s PRO 415 CO 0.01 -1.53 1.07 -0.65 -0.33 0.00 0.00 177.00 175.57 3mbk s GLN 416 N -3.30 4.67 0.16 5.54 -1.52 -1.26 -5.03 119.66 118.91 3mbk s GLN 416 Ca 0.81 1.73 0.09 0.00 -1.95 0.00 0.00 55.36 56.04 3mbk s GLN 416 Cb -0.38 -3.22 -0.04 0.00 -0.22 0.00 0.00 33.01 29.14 3mbk s GLN 416 CO 0.41 0.24 -0.15 1.03 -0.25 0.00 0.00 175.29 176.57 3mbk s ARG 417 N -1.18 1.86 0.27 2.91 0.52 -1.26 -5.03 118.95 117.03 3mbk s ARG 417 Ca 0.45 -1.27 -0.05 0.00 -0.52 0.00 0.00 55.73 54.34 3mbk s ARG 417 Cb -0.30 -2.09 0.33 0.00 0.52 0.00 0.00 34.95 33.40 3mbk s ARG 417 CO 0.38 0.45 1.94 0.66 0.02 0.00 0.00 175.30 178.75 3mbk h SER 418 N 3.29 1.08 -0.33 0.23 4.64 -1.97 0.03 113.55 120.52 3mbk h SER 418 Ca -0.48 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3mbk h SER 418 Cb 1.19 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3mbk h SER 418 CO 0.50 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.85 3mbk n GLY 419 N -1.38 1.01 6.92 -0.77 0.00 -1.26 -5.05 105.19 104.66 3mbk n GLY 419 Ca 0.11 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.87 -1.60 0.29 -0.02 0.00 -0.01 -4.30 105.19 100.43 3mbk n GLY 420 Ca 0.12 -1.24 0.15 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.01 0.00 0.00 1.61 -5.15 -1.85 -1.28 116.94 110.26 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 0.01 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.18 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 -1.97 -0.75 114.38 120.83 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 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 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 1.13 7.04 5.19 -1.43 -1.71 116.42 126.64 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 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 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 -0.76 4.55 0.05 -1.33 -3.32 116.97 116.16 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 0.13 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.82 3mbk h TYR 424 CO 0.00 0.00 0.48 0.93 -1.05 0.00 0.00 178.16 178.52 3mbk h GLU 425 N 0.00 0.91 -0.61 4.88 5.08 -1.48 -1.78 114.58 121.58 3mbk h GLU 425 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3mbk h GLU 425 Cb 0.57 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3mbk h GLU 425 CO 0.00 0.60 0.00 1.63 -1.00 0.00 0.00 179.01 180.24 3mbk n LYS 426 N -4.62 2.65 -2.84 2.33 5.02 -1.25 -4.63 118.16 114.82 3mbk n LYS 426 Ca 0.09 -2.53 -0.11 0.00 -2.02 0.00 0.00 58.31 53.74 3mbk n LYS 426 Cb 0.09 -1.54 0.03 0.00 -0.02 0.00 0.00 35.03 33.59 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 1.57 -2.13 -4.78 4.39 2.03 -0.70 -4.73 116.55 112.20 3mbk n ASP 427 Ca 0.22 -3.25 -0.35 0.00 0.52 0.00 0.00 54.79 51.93 3mbk n ASP 427 Cb 0.61 1.32 -0.02 0.00 -0.72 0.00 0.00 41.12 42.32 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 0.18 2.86 0.76 -1.67 0.00 -1.06 -4.62 121.76 118.21 3mbk s ALA 428 Ca 0.31 0.76 -0.10 0.00 0.00 0.00 0.00 51.96 52.93 3mbk s ALA 428 Cb 0.23 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 20.10 3mbk s ALA 428 CO -0.19 -0.53 1.12 -1.25 0.00 0.00 0.00 175.76 174.92 3mbk s PRO 429 N -3.05 2.16 0.66 0.00 0.04 -1.26 -3.37 135.00 130.19 3mbk s PRO 429 Ca 0.67 0.06 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 3mbk s PRO 429 Cb -0.22 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 3mbk s PRO 429 CO 0.26 -1.41 1.06 0.96 0.04 0.00 0.00 177.00 177.91 3mbk s ILE 430 N -3.45 4.09 0.73 0.56 -4.36 -1.26 -1.06 121.20 116.45 3mbk s ILE 430 Ca 0.61 0.66 -0.03 0.00 -0.26 0.00 0.00 60.65 61.63 3mbk s ILE 430 Cb -0.11 -3.67 0.12 0.00 1.25 0.00 0.00 42.46 40.05 3mbk s ILE 430 CO 0.48 -0.88 1.02 0.42 0.24 0.00 0.00 174.94 176.22 3mbk s THR 431 N -3.26 2.19 0.20 8.37 -4.23 -0.45 -4.70 115.64 113.75 3mbk s THR 431 Ca 0.56 -0.49 -0.11 0.00 -1.18 0.00 0.00 61.69 60.48 3mbk s THR 431 Cb -0.11 -2.70 0.13 0.00 1.34 0.00 0.00 72.50 71.16 3mbk s THR 431 CO 0.53 0.00 1.85 0.58 -0.54 0.00 0.00 174.62 177.03 3mbk h VAL 432 N -0.63 1.10 0.00 2.29 2.07 -1.42 -0.59 116.25 119.07 3mbk h VAL 432 Ca -0.39 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 3mbk h VAL 432 Cb 1.27 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3mbk h VAL 432 CO 0.43 0.15 -0.41 -0.26 0.02 0.00 0.00 177.57 177.50 3mbk h PHE 433 N 0.84 0.00 -0.68 1.57 -1.00 -1.92 -1.42 116.94 114.33 3mbk h PHE 433 Ca 0.27 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.01 3mbk h PHE 433 Cb -0.00 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 3mbk h PHE 433 CO -0.04 0.41 0.28 0.78 -1.61 0.00 0.00 178.31 178.13 3mbk h GLY 434 N 1.38 1.08 0.97 -1.45 0.00 -1.57 0.54 103.07 104.01 3mbk h GLY 434 Ca -0.00 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.76 3mbk h GLY 434 CO 0.05 0.55 0.42 0.00 0.00 0.00 0.00 176.54 177.56 3mbk h MET 436 N 0.85 0.87 -0.38 0.00 2.07 -0.78 -0.04 114.93 117.53 3mbk h MET 436 Ca 0.24 -0.24 0.05 0.00 -2.07 0.00 0.00 59.70 57.68 3mbk h MET 436 Cb -0.07 -0.10 -0.05 0.00 -1.87 0.00 0.00 31.60 29.52 3mbk h MET 436 CO -0.07 0.86 0.11 1.96 1.07 0.00 0.00 176.91 180.85 3mbk h GLN 437 N 0.75 0.24 -0.27 1.72 4.20 -0.71 -0.19 115.11 120.85 3mbk h GLN 437 Ca 0.16 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3mbk h GLN 437 Cb 0.42 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3mbk h GLN 437 CO 0.01 0.16 0.15 0.00 -0.67 0.00 0.00 178.83 178.49 3mbk h ALA 438 N 1.26 0.35 -0.74 3.87 0.00 -1.17 -2.02 119.26 120.82 3mbk h ALA 438 Ca 0.18 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3mbk h ALA 438 Cb 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3mbk h ALA 438 CO -0.20 -0.13 0.48 -0.09 0.00 0.00 0.00 179.25 179.31 3mbk h ARG 439 N 0.33 0.91 -0.52 0.00 2.43 -0.67 -1.24 114.38 115.62 3mbk h ARG 439 Ca 0.10 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3mbk h ARG 439 Cb 0.05 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3mbk h ARG 439 CO -0.02 0.60 0.03 -0.07 -1.51 0.00 0.00 179.97 179.01 3mbk h LEU 440 N 0.94 0.81 -0.37 3.80 3.38 -0.78 0.15 115.31 123.25 3mbk h LEU 440 Ca 0.29 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3mbk h LEU 440 Cb -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3mbk h LEU 440 CO -0.10 0.86 0.06 0.58 0.09 0.00 0.00 178.44 179.93 3mbk h VAL 441 N 0.80 1.24 -0.67 1.22 2.07 -1.00 -0.26 116.25 119.64 3mbk h VAL 441 Ca 0.16 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3mbk h VAL 441 Cb 0.43 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3mbk h VAL 441 CO 0.02 0.29 0.44 1.23 0.02 0.00 0.00 177.57 179.57 3mbk h GLY 442 N 0.45 0.95 1.10 2.17 0.00 -0.78 -1.21 103.07 105.74 3mbk h GLY 442 Ca 0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 3mbk h GLY 442 CO 0.01 0.34 0.34 0.83 0.00 0.00 0.00 176.54 178.06 3mbk h GLU 443 N 0.90 1.15 -0.46 4.80 5.08 -0.53 -0.89 114.58 124.63 3mbk h GLU 443 Ca 0.25 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3mbk h GLU 443 Cb -0.09 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 3mbk h GLU 443 CO -0.06 0.91 -0.10 0.00 -1.00 0.00 0.00 179.01 178.76 3mbk h ALA 444 N 1.24 0.97 -0.51 3.43 0.00 -0.58 0.64 119.26 124.45 3mbk h ALA 444 Ca 0.27 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3mbk h ALA 444 Cb 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3mbk h ALA 444 CO -0.03 0.61 0.11 -0.07 0.00 0.00 0.00 179.25 179.88 3mbk h LEU 445 N 0.74 0.78 -0.23 0.00 3.38 -0.87 -1.37 115.31 117.74 3mbk h LEU 445 Ca 0.13 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3mbk h LEU 445 Cb 0.59 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3mbk h LEU 445 CO 0.04 0.82 0.14 0.25 0.09 0.00 0.00 178.44 179.78 3mbk h LEU 446 N 0.71 0.27 -1.42 1.67 5.85 -0.89 -0.67 115.31 120.82 3mbk h LEU 446 Ca 0.16 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3mbk h LEU 446 Cb 0.35 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3mbk h LEU 446 CO 0.00 0.22 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.12 3mbk h GLU 447 N 0.30 0.23 -0.03 1.25 4.81 -0.68 -0.88 114.58 119.57 3mbk h GLU 447 Ca 0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3mbk h GLU 447 Cb -0.01 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3mbk h GLU 447 CO -0.02 0.36 0.00 -1.13 -0.73 0.00 0.00 179.01 177.50 3mbk n SER 448 N -4.28 0.98 -3.78 1.04 3.41 -0.53 -4.93 113.62 105.53 3mbk n SER 448 Ca -0.01 -1.38 -0.25 0.00 -0.26 0.00 0.00 58.87 56.97 3mbk n SER 448 Cb 0.26 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.21 -2.94 -4.47 4.04 5.15 -0.34 -4.96 115.26 111.55 3mbk n ASN 449 Ca 0.20 -0.79 -0.43 0.00 -0.60 0.00 0.00 54.58 52.95 3mbk n ASN 449 Cb 0.26 -4.05 -0.07 0.00 -0.53 0.00 0.00 39.78 35.39 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 -3.50 4.90 -0.10 -0.44 2.01 -0.29 -5.04 115.64 113.18 3mbk s THR 450 Ca 0.30 -0.36 -0.25 0.00 0.31 0.00 0.00 61.69 61.69 3mbk s THR 450 Cb -0.15 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 3mbk s THR 450 CO 0.81 -0.71 0.80 -0.69 -0.69 0.00 0.00 174.62 174.15 3mbk s VAL 451 N 2.59 4.95 -0.27 3.82 1.01 -1.26 -4.57 120.40 126.67 3mbk s VAL 451 Ca 0.16 1.62 -0.09 0.00 0.00 0.00 0.00 61.98 63.68 3mbk s VAL 451 Cb -0.18 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3mbk s VAL 451 CO 0.13 0.14 0.12 -0.63 0.00 0.00 0.00 175.10 174.87 3mbk s ILE 452 N 1.39 4.63 -0.09 2.22 -1.09 -1.26 -4.47 121.20 122.53 3mbk s ILE 452 Ca 0.40 -0.12 0.15 0.00 -2.23 0.00 0.00 60.65 58.85 3mbk s ILE 452 Cb -0.18 -3.21 -0.18 0.00 -1.58 0.00 0.00 42.46 37.31 3mbk s ILE 452 CO 0.17 0.27 0.74 0.47 -1.23 0.00 0.00 174.94 175.36 3mbk n ASP 453 N 4.97 0.84 -3.75 3.58 8.00 -0.64 -4.94 116.55 124.62 3mbk n ASP 453 Ca -0.15 0.39 -0.13 0.00 0.71 0.00 0.00 54.79 55.60 3mbk n ASP 453 Cb 0.51 0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.60 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 -2.78 -0.29 -0.08 1.24 3.76 -1.21 -5.02 115.29 110.91 3mbk s HIS 454 Ca -0.04 0.62 0.02 0.00 -0.15 0.00 0.00 55.06 55.52 3mbk s HIS 454 Cb 0.08 0.12 0.01 0.00 1.11 0.00 0.00 32.58 33.91 3mbk s HIS 454 CO 0.82 -0.29 -0.13 0.08 -0.85 0.00 0.00 174.74 174.37 3mbk s VAL 455 N -0.56 1.22 0.17 -0.90 1.01 -1.26 -1.28 120.40 118.80 3mbk s VAL 455 Ca -0.07 -0.50 0.11 0.00 0.00 0.00 0.00 61.98 61.51 3mbk s VAL 455 Cb -0.04 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3mbk s VAL 455 CO 0.02 0.38 -0.21 -0.31 0.00 0.00 0.00 175.10 174.98 3mbk s TYR 456 N 0.85 2.39 0.07 5.22 2.02 0.28 -0.94 117.35 127.25 3mbk s TYR 456 Ca -0.11 -0.32 -0.09 0.00 -0.37 0.00 0.00 57.07 56.18 3mbk s TYR 456 Cb -0.15 -1.21 -0.00 0.00 -0.40 0.00 0.00 41.96 40.20 3mbk s TYR 456 CO 0.01 0.46 0.19 0.00 -1.57 0.00 0.00 175.55 174.64 3mbk s SER 458 N -2.62 4.99 0.14 0.00 0.15 -0.90 -0.76 113.70 114.70 3mbk s SER 458 Ca 0.02 2.37 0.19 0.00 0.70 0.00 0.00 55.95 59.24 3mbk s SER 458 Cb 0.03 -2.60 0.82 0.00 -1.71 0.00 0.00 66.02 62.56 3mbk s SER 458 CO -0.09 -1.73 1.60 -0.81 1.20 0.00 0.00 173.24 173.41 3mbk n PRO 459 N -1.85 0.11 -1.69 5.44 -0.04 -1.26 -3.97 135.00 131.74 3mbk n PRO 459 Ca 0.14 0.35 -0.44 0.00 -0.04 0.00 0.00 63.50 63.51 3mbk n PRO 459 Cb 0.50 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.91 3.01 -0.33 3.54 7.64 -1.26 -4.64 113.62 119.67 3mbk n SER 460 Ca 0.03 1.15 0.03 0.00 1.01 0.00 0.00 58.87 61.09 3mbk n SER 460 Cb 0.20 -1.47 0.17 0.00 -1.01 0.00 0.00 64.21 62.10 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 4.13 0.86 -1.54 -3.43 5.85 -1.84 -0.37 115.31 118.98 3mbk h LEU 461 Ca -0.46 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.36 3mbk h LEU 461 Cb 1.26 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3mbk h LEU 461 CO 0.75 0.52 0.39 0.08 -0.34 0.00 0.00 178.44 179.84 3mbk h ARG 462 N 0.98 0.54 0.01 1.25 0.11 -1.87 0.37 114.38 115.78 3mbk h ARG 462 Ca 0.42 -0.03 -0.22 0.00 0.10 0.00 0.00 59.98 60.24 3mbk h ARG 462 Cb 0.27 -0.12 0.02 0.00 1.11 0.00 0.00 29.97 31.25 3mbk h ARG 462 CO -0.21 0.36 -0.86 0.00 0.10 0.00 0.00 179.97 179.36 3mbk h VAL 464 N 0.15 1.09 -0.71 0.00 2.07 -0.77 -0.89 116.25 117.19 3mbk h VAL 464 Ca -0.11 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 3mbk h VAL 464 Cb 1.55 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3mbk h VAL 464 CO 0.17 0.09 0.21 1.56 0.02 0.00 0.00 177.57 179.62 3mbk h GLN 465 N 0.36 1.11 -0.32 1.57 4.20 -0.99 -0.93 115.11 120.11 3mbk h GLN 465 Ca 0.10 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3mbk h GLN 465 Cb -0.00 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3mbk h GLN 465 CO -0.02 0.96 0.21 1.15 -0.67 0.00 0.00 178.83 180.46 3mbk h THR 466 N 1.07 1.09 -0.71 -0.54 2.02 -1.09 -1.99 112.91 112.77 3mbk h THR 466 Ca 0.23 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 3mbk h THR 466 Cb 0.32 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3mbk h THR 466 CO -0.00 0.09 0.43 0.00 0.37 0.00 0.00 175.52 176.40 3mbk h ALA 467 N 1.10 0.90 -0.55 6.16 0.00 -0.74 0.77 119.26 126.90 3mbk h ALA 467 Ca 0.12 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3mbk h ALA 467 Cb -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3mbk h ALA 467 CO -0.02 0.37 0.31 1.25 0.00 0.00 0.00 179.25 181.16 3mbk h HIS 468 N 0.96 0.58 -0.05 0.00 6.17 -1.01 -1.21 115.15 120.60 3mbk h HIS 468 Ca 0.25 0.02 -0.15 0.00 0.71 0.00 0.00 60.37 61.20 3mbk h HIS 468 Cb -0.03 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 29.70 3mbk h HIS 468 CO -0.01 0.31 -0.64 -0.91 0.71 0.00 0.00 177.93 177.39 3mbk h ASN 469 N 0.61 0.22 -0.55 3.26 2.35 -0.75 -1.25 115.58 119.48 3mbk h ASN 469 Ca 0.23 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3mbk h ASN 469 Cb 0.07 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3mbk h ASN 469 CO -0.12 0.80 0.36 0.40 -1.65 0.00 0.00 177.43 177.22 3mbk h ILE 470 N 0.14 1.13 -0.95 2.81 2.04 -0.61 -1.79 117.51 120.29 3mbk h ILE 470 Ca -0.01 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.62 3mbk h ILE 470 Cb 1.16 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 3mbk h ILE 470 CO 0.10 0.13 0.62 -0.07 0.00 0.00 0.00 178.15 178.93 3mbk h LEU 471 N 0.74 1.05 -0.43 1.44 3.38 -0.82 0.18 115.31 120.84 3mbk h LEU 471 Ca 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3mbk h LEU 471 Cb -0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3mbk h LEU 471 CO -0.05 0.73 0.29 0.11 0.09 0.00 0.00 178.44 179.61 3mbk h LYS 472 N 1.22 0.57 -0.79 1.13 1.57 -0.94 -0.31 116.57 119.03 3mbk h LYS 472 Ca 0.37 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 3mbk h LYS 472 Cb -0.05 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 3mbk h LYS 472 CO -0.11 0.38 0.42 0.78 -0.57 0.00 0.00 179.45 180.35 3mbk h GLY 473 N 0.59 1.18 2.00 3.86 0.00 -0.76 -1.54 103.07 108.40 3mbk h GLY 473 Ca 0.16 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3mbk h GLY 473 CO -0.03 0.52 0.00 1.04 0.00 0.00 0.00 176.54 178.07 3mbk n LEU 474 N -4.34 0.57 -3.11 3.11 4.77 -0.00 -3.21 117.00 114.79 3mbk n LEU 474 Ca 0.08 0.65 -0.23 0.00 -0.03 0.00 0.00 56.01 56.48 3mbk n LEU 474 Cb 0.11 -0.58 0.05 0.00 -2.33 0.00 0.00 43.42 40.66 3mbk n LEU 474 CO 0.39 -0.55 0.06 0.00 -1.33 0.00 0.00 177.39 175.95 3mbk n GLN 475 N -2.14 -5.57 0.00 3.23 6.02 -0.48 -4.85 117.38 113.58 3mbk n GLN 475 Ca 0.02 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 3mbk n GLN 475 Cb 0.21 -5.77 0.00 0.00 1.02 0.00 0.00 30.24 25.69 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 -4.22 2.75 0.12 -1.09 1.13 -0.25 -4.73 117.38 111.09 3mbk n GLN 476 Ca -0.09 -1.43 0.11 0.00 -1.94 0.00 0.00 57.00 53.66 3mbk n GLN 476 Cb 0.61 -0.98 0.48 0.00 0.11 0.00 0.00 30.24 30.45 3mbk n GLN 476 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3mbk n ASP 477 N -0.46 0.56 -1.40 1.08 5.75 -1.12 -1.16 116.55 119.80 3mbk n ASP 477 Ca 0.00 0.66 -0.09 0.00 -0.01 0.00 0.00 54.79 55.35 3mbk n ASP 477 Cb 0.25 -0.77 0.18 0.00 -1.03 0.00 0.00 41.12 39.75 3mbk n ASP 477 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3mbk n ASN 478 N -2.15 2.93 0.12 -1.12 3.02 -1.26 -4.72 115.26 112.08 3mbk n ASN 478 Ca 0.01 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 3mbk n ASN 478 Cb 0.18 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 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 -1.10 -2.28 -3.14 3.10 -0.00 -0.61 -5.11 115.22 106.09 3mbk n HIS 479 Ca 0.39 0.45 -0.32 0.00 0.46 0.00 0.00 57.72 58.69 3mbk n HIS 479 Cb 1.10 0.81 -0.06 0.00 -0.12 0.00 0.00 29.99 31.72 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 -6.57 4.06 -0.07 0.27 1.43 -0.31 -5.08 118.68 112.41 3mbk s LEU 480 Ca 0.00 1.25 0.03 0.00 -1.03 0.00 0.00 54.13 54.39 3mbk s LEU 480 Cb 0.00 -4.06 0.01 0.00 0.03 0.00 0.00 46.19 42.17 3mbk s LEU 480 CO 0.00 -0.21 -0.17 -0.54 0.23 0.00 0.00 176.35 175.66 3mbk s LYS 481 N -3.02 2.09 0.12 1.70 1.02 -1.26 -4.74 119.74 115.65 3mbk s LYS 481 Ca 0.54 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 3mbk s LYS 481 Cb -0.10 -1.69 -0.06 0.00 -0.52 0.00 0.00 37.83 35.45 3mbk s LYS 481 CO 0.18 0.13 1.12 0.42 -0.92 0.00 0.00 175.35 176.28 3mbk s ILE 482 N 0.40 4.03 -0.45 2.17 1.01 0.57 -4.42 121.20 124.51 3mbk s ILE 482 Ca -0.13 1.61 -0.19 0.00 0.00 0.00 0.00 60.65 61.94 3mbk s ILE 482 Cb -0.15 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.32 3mbk s ILE 482 CO 0.05 0.21 0.56 -0.13 0.00 0.00 0.00 174.94 175.63 3mbk s ARG 483 N 0.26 3.17 -0.24 2.79 0.52 -0.12 -0.39 118.95 124.94 3mbk s ARG 483 Ca 0.53 -0.66 -0.25 0.00 -0.52 0.00 0.00 55.73 54.83 3mbk s ARG 483 Cb -0.29 -4.00 -0.00 0.00 0.52 0.00 0.00 34.95 31.19 3mbk s ARG 483 CO 0.32 -1.01 0.85 0.08 0.02 0.00 0.00 175.30 175.57 3mbk s VAL 484 N 2.51 4.82 -0.30 3.52 1.01 -1.26 -1.30 120.40 129.39 3mbk s VAL 484 Ca 0.17 1.61 0.02 0.00 0.00 0.00 0.00 61.98 63.77 3mbk s VAL 484 Cb -0.17 -4.14 0.09 0.00 0.00 0.00 0.00 36.38 32.16 3mbk s VAL 484 CO 0.15 -0.09 0.03 -0.70 0.00 0.00 0.00 175.10 174.49 3mbk s GLU 485 N 2.89 1.28 0.63 2.72 2.56 0.06 -4.66 118.70 124.18 3mbk s GLU 485 Ca 0.36 -1.37 0.38 0.00 0.00 0.00 0.00 54.97 54.34 3mbk s GLU 485 Cb -0.15 -2.64 2.12 0.00 2.00 0.00 0.00 34.13 35.46 3mbk s GLU 485 CO 0.07 -0.86 2.31 -1.35 -0.56 0.00 0.00 175.26 174.88 3mbk h PRO 486 N 7.86 0.00 0.00 4.30 0.11 -1.83 -0.00 132.00 142.44 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 0.10 0.78 -0.21 0.00 0.00 178.00 179.15 3mbk h GLY 487 N 0.07 0.00 0.43 -0.55 0.00 -1.86 -1.13 103.07 100.04 3mbk h GLY 487 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mbk h GLY 487 CO 0.00 0.00 -0.17 1.04 0.00 0.00 0.00 176.54 177.41 3mbk n LEU 488 N -2.97 0.85 -4.74 3.11 4.77 -0.02 -4.58 117.00 113.42 3mbk n LEU 488 Ca -0.03 -0.18 -0.37 0.00 -0.03 0.00 0.00 56.01 55.41 3mbk n LEU 488 Cb 0.17 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3mbk n LEU 488 CO 0.17 0.16 0.89 0.12 -1.33 0.00 0.00 177.39 177.40 3mbk s PHE 489 N -2.44 2.26 1.23 -1.77 5.36 -0.43 -4.66 117.98 117.53 3mbk s PHE 489 Ca 0.28 1.48 -0.19 0.00 -0.96 0.00 0.00 56.93 57.53 3mbk s PHE 489 Cb 0.20 -3.62 0.29 0.00 -0.34 0.00 0.00 43.02 39.55 3mbk s PHE 489 CO 0.48 -2.61 1.08 -1.83 -1.46 0.00 0.00 175.22 170.89 3mbk s GLU 490 N -3.26 -1.41 0.05 10.12 -1.05 -1.26 -4.89 118.70 117.01 3mbk s GLU 490 Ca 0.78 -0.01 -0.33 0.00 -0.15 0.00 0.00 54.97 55.26 3mbk s GLU 490 Cb -0.35 -1.57 -0.12 0.00 -0.44 0.00 0.00 34.13 31.65 3mbk s GLU 490 CO 0.38 -3.85 1.79 1.87 0.95 0.00 0.00 175.26 176.40 3mbk n TRP 491 N -4.87 2.41 0.45 4.83 -0.00 -1.26 -4.83 117.44 114.16 3mbk n TRP 491 Ca 0.13 0.01 0.10 0.00 -0.00 0.00 0.00 57.50 57.74 3mbk n TRP 491 Cb 0.59 -2.66 0.43 0.00 -0.00 0.00 0.00 31.31 29.67 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 4.54 0.87 -0.09 5.87 -2.24 -1.26 -1.87 114.28 120.10 3mbk n THR 492 Ca 0.20 0.22 0.22 0.00 -2.27 0.00 0.00 64.05 62.41 3mbk n THR 492 Cb 0.32 -1.08 0.66 0.00 -2.10 0.00 0.00 70.33 68.13 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 0.09 -0.00 -0.78 3.64 -1.81 -1.60 116.57 116.10 3mbk h LYS 493 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3mbk h LYS 493 Cb 0.34 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3mbk h LYS 493 CO 0.00 0.06 -0.00 0.91 -2.27 0.00 0.00 179.45 178.14 3mbk n TRP 494 N -4.37 0.00 -3.00 1.91 8.01 -0.78 -4.76 117.44 114.45 3mbk n TRP 494 Ca 0.14 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.93 3mbk n TRP 494 Cb 0.70 -0.02 -0.05 0.00 -2.01 0.00 0.00 31.31 29.94 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 -2.04 4.88 0.32 -0.99 1.01 -0.61 -5.05 120.40 117.93 3mbk s VAL 495 Ca 0.44 1.56 -0.29 0.00 0.00 0.00 0.00 61.98 63.69 3mbk s VAL 495 Cb 0.22 -4.09 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 3mbk s VAL 495 CO 0.37 0.31 1.55 0.00 0.00 0.00 0.00 175.10 177.33 3mbk s ALA 496 N 0.34 3.69 0.00 5.51 0.00 -1.26 -4.87 121.76 125.17 3mbk s ALA 496 Ca 0.39 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.90 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 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.39 3mbk n GLY 497 N 1.64 -0.60 0.41 0.00 0.00 -1.26 -4.46 105.19 100.93 3mbk n GLY 497 Ca 0.06 -1.13 0.05 0.00 0.00 0.00 0.00 46.02 44.99 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 2.06 -4.12 1.61 3.41 -1.26 -4.98 113.62 110.70 3mbk n SER 498 Ca 0.00 -1.56 -0.14 0.00 -0.26 0.00 0.00 58.87 56.91 3mbk n SER 498 Cb 0.00 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 63.78 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 -0.83 0.74 0.77 6.66 -4.23 -1.26 -4.97 115.64 112.51 3mbk s THR 499 Ca 0.13 -1.40 -0.12 0.00 -1.18 0.00 0.00 61.69 59.13 3mbk s THR 499 Cb 0.08 -1.04 0.06 0.00 1.34 0.00 0.00 72.50 72.94 3mbk s THR 499 CO 0.12 -0.49 1.11 -0.76 -0.54 0.00 0.00 174.62 174.06 3mbk s LEU 500 N -2.07 3.10 0.60 4.79 1.43 -1.26 -4.84 118.68 120.43 3mbk s LEU 500 Ca -0.01 1.96 -0.19 0.00 -1.03 0.00 0.00 54.13 54.85 3mbk s LEU 500 Cb -0.06 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.58 3mbk s LEU 500 CO -0.00 -2.14 1.12 -2.65 0.23 0.00 0.00 176.35 172.91 3mbk n PRO 501 N -3.34 1.11 -2.41 1.29 -0.02 -1.26 -4.88 135.00 125.48 3mbk n PRO 501 Ca 0.10 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 3mbk n PRO 501 Cb 0.52 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 -1.61 4.09 -1.75 3.55 0.00 -1.26 -4.98 120.51 118.55 3mbk n ALA 502 Ca 0.14 -3.90 -0.38 0.00 0.00 0.00 0.00 53.44 49.29 3mbk n ALA 502 Cb 0.47 -3.53 0.04 0.00 0.00 0.00 0.00 19.45 16.42 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 3.65 2.34 -0.11 0.00 0.51 -1.26 -4.92 118.94 119.15 3mbk s TRP 503 Ca 0.51 1.40 -0.30 0.00 -2.12 0.00 0.00 56.10 55.59 3mbk s TRP 503 Cb 0.06 -3.75 -0.02 0.00 -0.81 0.00 0.00 33.47 28.95 3mbk s TRP 503 CO 0.03 -2.75 1.22 0.42 -0.51 0.00 0.00 176.95 175.36 3mbk s ILE 504 N -1.34 4.29 0.69 2.03 1.01 -1.26 -5.00 121.20 121.62 3mbk s ILE 504 Ca 0.71 1.59 -0.14 0.00 0.00 0.00 0.00 60.65 62.81 3mbk s ILE 504 Cb -0.39 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.07 3mbk s ILE 504 CO 0.46 -0.06 1.12 -2.16 0.00 0.00 0.00 174.94 174.29 3mbk s PRO 505 N 2.77 2.60 0.30 2.79 0.04 -1.26 -4.67 135.00 137.57 3mbk s PRO 505 Ca 0.55 1.40 0.05 0.00 0.04 0.00 0.00 61.00 63.04 3mbk s PRO 505 Cb -0.23 -1.92 0.73 0.00 0.04 0.00 0.00 34.50 33.12 3mbk s PRO 505 CO 0.18 -1.41 1.74 -1.35 0.04 0.00 0.00 177.00 176.20 3mbk h PRO 506 N -0.22 0.56 -0.76 0.56 0.11 -1.95 0.49 132.00 130.79 3mbk h PRO 506 Ca -0.46 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.70 3mbk h PRO 506 Cb 1.25 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 3mbk h PRO 506 CO 0.53 0.37 0.42 0.66 -0.21 0.00 0.00 178.00 179.76 3mbk h SER 507 N 0.58 0.58 0.55 -2.05 4.64 -1.91 -0.57 113.55 115.37 3mbk h SER 507 Ca 0.57 0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.76 3mbk h SER 507 Cb 0.98 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3mbk h SER 507 CO -0.45 0.34 -0.79 -0.33 -0.87 0.00 0.00 176.83 174.73 3mbk h GLU 508 N 0.71 0.18 -0.62 4.77 5.08 -1.32 -2.04 114.58 121.35 3mbk h GLU 508 Ca 0.37 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3mbk h GLU 508 Cb 0.34 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3mbk h GLU 508 CO -0.24 0.88 0.12 -0.07 -1.00 0.00 0.00 179.01 178.69 3mbk h LEU 509 N 0.11 0.96 -0.63 1.33 3.38 -0.54 -1.11 115.31 118.82 3mbk h LEU 509 Ca -0.03 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3mbk h LEU 509 Cb 1.38 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 3mbk h LEU 509 CO 0.12 0.97 0.19 0.00 0.09 0.00 0.00 178.44 179.81 3mbk h ALA 510 N 1.03 0.82 0.00 1.53 0.00 -1.07 -2.07 119.26 119.50 3mbk h ALA 510 Ca 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3mbk h ALA 510 Cb 0.40 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3mbk h ALA 510 CO 0.01 0.50 -0.09 0.00 0.00 0.00 0.00 179.25 179.67 3mbk h ALA 511 N 1.07 1.52 -0.34 0.00 0.00 -1.06 -1.58 119.26 118.87 3mbk h ALA 511 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3mbk h ALA 511 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3mbk h ALA 511 CO -0.01 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3mbk n ALA 512 N -2.37 3.18 -2.39 0.00 0.00 -0.45 -4.90 120.51 113.58 3mbk n ALA 512 Ca -0.02 -1.04 -0.13 0.00 0.00 0.00 0.00 53.44 52.25 3mbk n ALA 512 Cb 0.18 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.41 -4.10 -4.42 0.00 3.02 -0.59 -4.98 115.26 104.59 3mbk n ASN 513 Ca 0.16 -0.06 -0.39 0.00 -0.03 0.00 0.00 54.58 54.26 3mbk n ASN 513 Cb 0.73 -3.20 -0.12 0.00 -0.61 0.00 0.00 39.78 36.59 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 -3.83 4.20 0.00 3.41 1.43 -0.88 -5.01 118.68 117.99 3mbk s LEU 514 Ca 0.06 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3mbk s LEU 514 Cb -0.02 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3mbk s LEU 514 CO 0.07 -0.23 0.10 -1.20 0.23 0.00 0.00 176.35 175.32 3mbk n SER 515 N 4.98 0.00 -4.85 2.29 7.64 -1.26 -3.72 113.62 118.70 3mbk n SER 515 Ca -0.14 -0.35 -0.36 0.00 1.01 0.00 0.00 58.87 59.04 3mbk n SER 515 Cb 0.48 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.73 5.06 -0.59 0.44 1.01 -1.26 -0.32 120.40 125.47 3mbk s VAL 516 Ca 0.00 0.63 -0.26 0.00 0.00 0.00 0.00 61.98 62.35 3mbk s VAL 516 Cb 0.00 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.75 3mbk s VAL 516 CO 0.00 0.41 1.07 -0.62 0.00 0.00 0.00 175.10 175.96 3mbk s ASP 517 N -1.47 6.34 0.00 3.32 -1.08 0.47 -4.66 116.67 119.60 3mbk s ASP 517 Ca 0.29 -0.25 0.20 0.00 -0.52 0.00 0.00 52.55 52.27 3mbk s ASP 517 Cb -0.15 -2.49 0.90 0.00 -1.46 0.00 0.00 42.92 39.72 3mbk s ASP 517 CO 0.16 -1.40 1.64 0.35 0.52 0.00 0.00 175.17 176.44 3mbk n THR 518 N 6.36 0.56 1.10 1.71 -2.24 -1.26 -2.89 114.28 117.63 3mbk n THR 518 Ca 0.04 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 3mbk n THR 518 Cb 0.48 -0.80 0.15 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.44 0.00 -2.28 4.28 -2.24 -1.26 -4.90 114.28 106.44 3mbk n THR 519 Ca 0.06 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3mbk n THR 519 Cb 0.21 0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 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 -2.47 3.33 -0.35 4.78 5.04 -1.14 -5.00 117.35 121.55 3mbk s TYR 520 Ca 0.21 1.18 -0.14 0.00 -2.44 0.00 0.00 57.07 55.88 3mbk s TYR 520 Cb 0.19 -3.55 -0.01 0.00 0.35 0.00 0.00 41.96 38.93 3mbk s TYR 520 CO 0.54 -1.79 0.30 0.50 -1.34 0.00 0.00 175.55 173.76 3mbk s ARG 521 N 0.62 3.48 0.62 4.97 3.52 -1.26 -4.97 118.95 125.93 3mbk s ARG 521 Ca 0.59 -0.58 -0.16 0.00 -0.13 0.00 0.00 55.73 55.46 3mbk s ARG 521 Cb -0.34 -3.82 -0.02 0.00 -1.56 0.00 0.00 34.95 29.21 3mbk s ARG 521 CO 0.33 -0.50 1.09 -1.25 -0.81 0.00 0.00 175.30 174.16 3mbk s PRO 522 N 1.84 3.07 0.11 5.12 0.04 -1.26 -4.96 135.00 138.97 3mbk s PRO 522 Ca 0.08 1.34 -0.08 0.00 0.04 0.00 0.00 61.00 62.39 3mbk s PRO 522 Cb -0.17 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.23 3mbk s PRO 522 CO 0.11 -1.03 1.26 0.45 0.04 0.00 0.00 177.00 177.83 3mbk h HIS 523 N 0.34 0.77 -3.40 0.56 3.86 -1.97 -3.39 115.15 111.91 3mbk h HIS 523 Ca -0.47 -0.42 -0.63 0.00 -1.16 0.00 0.00 60.37 57.69 3mbk h HIS 523 Cb 1.24 -0.09 -0.40 0.00 1.06 0.00 0.00 27.41 29.22 3mbk h HIS 523 CO 0.56 1.25 -0.73 0.42 0.86 0.00 0.00 177.93 180.29 3mbk s ILE 524 N -3.27 1.71 0.95 2.45 1.01 -1.26 -5.03 121.20 117.76 3mbk s ILE 524 Ca -0.07 -2.11 -0.11 0.00 0.00 0.00 0.00 60.65 58.36 3mbk s ILE 524 Cb 0.08 -2.26 0.16 0.00 0.01 0.00 0.00 42.46 40.45 3mbk s ILE 524 CO 0.89 -0.67 1.10 -2.84 0.00 0.00 0.00 174.94 173.41 3mbk s PRO 525 N 1.01 0.80 0.21 2.79 0.02 -1.26 -2.90 135.00 135.66 3mbk s PRO 525 Ca 0.12 1.17 -0.12 0.00 0.02 0.00 0.00 61.00 62.19 3mbk s PRO 525 Cb -0.19 -1.73 0.27 0.00 0.02 0.00 0.00 34.50 32.87 3mbk s PRO 525 CO -0.13 -2.66 1.65 0.28 -0.33 0.00 0.00 177.00 175.82 3mbk h VAL 526 N -1.87 0.47 0.00 3.83 2.07 -1.97 -0.68 116.25 118.09 3mbk h VAL 526 Ca -0.49 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3mbk h VAL 526 Cb 1.28 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3mbk h VAL 526 CO 0.48 0.02 0.00 -1.20 0.02 0.00 0.00 177.57 176.88 3mbk n SER 527 N -5.32 0.00 0.02 0.57 7.64 -1.26 -1.74 113.62 113.54 3mbk n SER 527 Ca 0.08 -0.49 0.12 0.00 1.01 0.00 0.00 58.87 59.60 3mbk n SER 527 Cb 0.34 -0.10 0.28 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.10 0.10 -2.65 1.43 4.76 -0.26 -4.87 118.16 115.57 3mbk n LYS 528 Ca 0.15 0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 55.20 3mbk n LYS 528 Cb 0.11 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 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 -3.42 4.40 -0.09 -0.35 1.43 -0.71 -5.01 118.68 114.92 3mbk s LEU 529 Ca 0.10 1.76 -0.20 0.00 -1.03 0.00 0.00 54.13 54.76 3mbk s LEU 529 Cb 0.16 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 3mbk s LEU 529 CO 0.68 -0.26 0.55 0.00 0.23 0.00 0.00 176.35 177.55 3mbk s ALA 530 N 0.81 3.44 0.30 4.21 0.00 -1.26 -4.99 121.76 124.27 3mbk s ALA 530 Ca 0.52 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.44 3mbk s ALA 530 Cb -0.23 -2.74 0.49 0.00 0.00 0.00 0.00 23.12 20.64 3mbk s ALA 530 CO 0.29 -0.00 1.79 0.82 0.00 0.00 0.00 175.76 178.66 3mbk h ILE 531 N 4.65 1.23 -0.66 0.00 5.03 -1.93 -2.97 117.51 122.85 3mbk h ILE 531 Ca -0.42 -1.03 -0.16 0.00 -0.12 0.00 0.00 64.86 63.13 3mbk h ILE 531 Cb 1.19 1.14 -0.09 0.00 -3.03 0.00 0.00 36.82 36.02 3mbk h ILE 531 CO 0.75 0.34 0.19 -1.54 -0.68 0.00 0.00 178.15 177.20 3mbk n SER 532 N -4.20 4.88 -4.76 1.72 3.41 -1.26 -4.41 113.62 109.00 3mbk n SER 532 Ca 0.01 -3.18 -0.40 0.00 -0.26 0.00 0.00 58.87 55.04 3mbk n SER 532 Cb 0.33 -0.72 0.02 0.00 -0.26 0.00 0.00 64.21 63.58 3mbk n SER 532 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3mbk s GLU 533 N -2.96 3.64 0.74 4.33 -1.05 -1.12 -4.99 118.70 117.29 3mbk s GLU 533 Ca 0.54 2.42 -0.11 0.00 -0.15 0.00 0.00 54.97 57.66 3mbk s GLU 533 Cb 0.43 -2.63 0.04 0.00 -0.44 0.00 0.00 34.13 31.53 3mbk s GLU 533 CO 0.13 -0.86 1.09 -1.54 0.95 0.00 0.00 175.26 175.03 3mbk s SER 534 N -0.53 5.05 0.17 0.83 1.04 -1.26 -4.58 113.70 114.43 3mbk s SER 534 Ca 0.62 1.29 -0.15 0.00 0.48 0.00 0.00 55.95 58.19 3mbk s SER 534 Cb -0.44 -2.09 0.13 0.00 0.10 0.00 0.00 66.02 63.73 3mbk s SER 534 CO 0.56 -1.61 1.70 0.22 0.98 0.00 0.00 173.24 175.09 3mbk h TYR 535 N -0.84 0.02 -0.71 5.02 3.20 -1.99 -0.79 116.97 120.88 3mbk h TYR 535 Ca -0.46 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.50 3mbk h TYR 535 Cb 1.25 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.52 3mbk h TYR 535 CO 0.51 -0.06 0.41 0.22 -1.64 0.00 0.00 178.16 177.60 3mbk h ASP 536 N 0.14 0.63 -0.57 -2.11 1.82 -1.99 -0.69 116.42 113.65 3mbk h ASP 536 Ca 0.21 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.85 3mbk h ASP 536 Cb 0.30 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.18 3mbk h ASP 536 CO -0.33 0.41 0.23 0.74 -1.61 0.00 0.00 179.24 178.68 3mbk h THR 537 N 0.76 1.22 0.09 2.25 2.02 -1.78 -0.10 112.91 117.38 3mbk h THR 537 Ca 0.32 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3mbk h THR 537 Cb 0.17 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3mbk h THR 537 CO -0.17 0.26 -0.10 0.22 0.37 0.00 0.00 175.52 176.10 3mbk h TYR 538 N 0.77 -0.26 -0.35 3.16 3.20 -0.37 -0.91 116.97 122.21 3mbk h TYR 538 Ca 0.19 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3mbk h TYR 538 Cb 0.19 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3mbk h TYR 538 CO 0.01 -0.16 0.16 0.82 -1.64 0.00 0.00 178.16 177.35 3mbk h ILE 539 N -0.22 1.17 -0.81 1.81 1.08 -1.02 -2.04 117.51 117.48 3mbk h ILE 539 Ca 0.01 -0.50 -0.02 0.00 -0.39 0.00 0.00 64.86 63.95 3mbk h ILE 539 Cb 0.22 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 3mbk h ILE 539 CO -0.04 0.18 0.41 0.78 -0.69 0.00 0.00 178.15 178.80 3mbk h ASN 540 N 0.42 1.04 0.65 1.72 -0.26 -0.93 -1.42 115.58 116.80 3mbk h ASN 540 Ca 0.12 -0.12 -0.10 0.00 -0.56 0.00 0.00 56.30 55.64 3mbk h ASN 540 Cb 0.14 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.12 3mbk h ASN 540 CO -0.01 0.87 -0.47 0.08 -1.06 0.00 0.00 177.43 176.83 3mbk h ARG 541 N 1.14 0.00 -0.41 0.81 0.11 -1.02 -0.66 114.38 114.34 3mbk h ARG 541 Ca 0.28 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.31 3mbk h ARG 541 Cb 0.08 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.15 3mbk h ARG 541 CO -0.04 0.47 0.07 0.77 0.10 0.00 0.00 179.97 181.34 3mbk h SER 542 N 0.00 0.65 0.05 0.08 0.02 -0.82 -0.17 113.55 113.36 3mbk h SER 542 Ca -0.00 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3mbk h SER 542 Cb 0.92 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3mbk h SER 542 CO 0.06 0.74 -0.03 0.15 -1.14 0.00 0.00 176.83 176.62 3mbk h PHE 543 N 0.53 -0.06 -0.53 3.45 3.57 -1.02 -1.84 116.94 121.04 3mbk h PHE 543 Ca 0.13 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3mbk h PHE 543 Cb 0.37 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 3mbk h PHE 543 CO 0.02 -0.03 0.21 0.37 -2.23 0.00 0.00 178.31 176.65 3mbk h GLN 544 N -0.08 0.79 -0.16 1.11 5.75 -0.97 -1.09 115.11 120.46 3mbk h GLN 544 Ca -0.01 -0.14 -0.14 0.00 -0.15 0.00 0.00 58.65 58.21 3mbk h GLN 544 Cb 0.06 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 3mbk h GLN 544 CO 0.01 0.69 -0.48 -0.24 -2.65 0.00 0.00 178.83 176.16 3mbk h VAL 545 N 0.71 1.33 -0.55 2.39 3.04 -1.03 -1.90 116.25 120.24 3mbk h VAL 545 Ca 0.18 -1.70 -0.09 0.00 -1.01 0.00 0.00 66.70 64.08 3mbk h VAL 545 Cb 0.20 1.73 -0.02 0.00 -2.01 0.00 0.00 31.29 31.19 3mbk h VAL 545 CO -0.01 0.52 -0.00 0.74 -1.01 0.00 0.00 177.57 177.80 3mbk h THR 546 N 0.33 1.26 -0.83 3.17 2.02 -1.04 0.50 112.91 118.32 3mbk h THR 546 Ca 0.02 -1.11 0.01 0.00 0.77 0.00 0.00 66.41 66.10 3mbk h THR 546 Cb 0.97 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 3mbk h THR 546 CO 0.08 0.40 0.55 0.11 0.37 0.00 0.00 175.52 177.03 3mbk h LYS 547 N 0.84 1.07 -0.37 6.66 1.57 -0.96 -0.59 116.57 124.80 3mbk h LYS 547 Ca 0.15 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 3mbk h LYS 547 Cb 0.54 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3mbk h LYS 547 CO 0.03 0.71 -0.24 0.93 -0.57 0.00 0.00 179.45 180.31 3mbk h GLU 548 N 1.11 0.75 -0.09 3.15 5.08 -0.85 0.33 114.58 124.06 3mbk h GLU 548 Ca 0.31 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mbk h GLU 548 Cb -0.10 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 3mbk h GLU 548 CO -0.08 0.92 0.04 0.82 -1.00 0.00 0.00 179.01 179.72 3mbk h ILE 549 N 0.65 1.10 -0.53 3.13 2.04 -0.61 -1.39 117.51 121.91 3mbk h ILE 549 Ca 0.09 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3mbk h ILE 549 Cb 0.75 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3mbk h ILE 549 CO 0.06 0.09 0.28 0.40 0.00 0.00 0.00 178.15 178.98 3mbk h ILE 550 N 0.03 1.19 -0.66 -0.67 2.04 -0.88 -2.30 117.51 116.25 3mbk h ILE 550 Ca 0.03 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 3mbk h ILE 550 Cb 0.11 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3mbk h ILE 550 CO -0.00 0.20 0.30 -1.28 0.00 0.00 0.00 178.15 177.37 3mbk h SER 551 N 0.71 0.88 1.19 1.72 0.87 -0.81 -0.63 113.55 117.48 3mbk h SER 551 Ca 0.19 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3mbk h SER 551 Cb 0.07 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 3mbk h SER 551 CO -0.03 0.77 0.00 -1.84 -0.53 0.00 0.00 176.83 175.21 3mbk n GLU 552 N -4.45 0.21 0.00 2.24 0.28 -0.53 -2.63 120.64 115.75 3mbk n GLU 552 Ca 0.05 0.25 0.10 0.00 -0.16 0.00 0.00 57.16 57.40 3mbk n GLU 552 Cb 0.14 -1.78 -0.06 0.00 1.43 0.00 0.00 31.44 31.17 3mbk n GLU 552 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3mbk n LYS 554 N -1.39 1.29 -1.43 0.00 4.76 -0.28 -0.76 118.16 120.34 3mbk n LYS 554 Ca 0.05 0.47 -0.15 0.00 -2.87 0.00 0.00 58.31 55.80 3mbk n LYS 554 Cb 0.34 -2.14 -0.06 0.00 -1.84 0.00 0.00 35.03 31.33 3mbk n LYS 554 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3mbk n SER 555 N 3.16 -5.51 -0.68 4.39 7.64 -1.26 -4.81 113.62 116.54 3mbk n SER 555 Ca 0.20 0.37 0.06 0.00 1.01 0.00 0.00 58.87 60.50 3mbk n SER 555 Cb 0.20 -4.32 0.17 0.00 -1.01 0.00 0.00 64.21 59.25 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 -1.62 1.32 0.00 1.43 5.02 0.06 -5.05 118.16 119.32 3mbk n LYS 556 Ca -0.15 -3.03 0.00 0.00 -2.02 0.00 0.00 58.31 53.11 3mbk n LYS 556 Cb 0.61 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 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 -0.90 3.64 0.11 0.72 0.00 -1.24 -4.89 105.19 102.62 3mbk n GLY 557 Ca 0.17 -1.42 -0.02 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.37 1.61 2.35 -1.92 -3.45 115.58 110.80 3mbk h ASN 558 Ca 0.00 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 55.10 3mbk h ASN 558 Cb 0.00 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 38.14 3mbk h ASN 558 CO 0.00 0.73 -0.71 0.20 -1.65 0.00 0.00 177.43 176.00 3mbk s ASN 559 N -6.65 4.49 -0.06 5.81 0.01 -1.26 -1.53 114.94 115.76 3mbk s ASN 559 Ca 0.01 -0.18 0.05 0.00 -0.71 0.00 0.00 52.86 52.03 3mbk s ASN 559 Cb 0.10 -1.63 -0.01 0.00 0.41 0.00 0.00 41.25 40.13 3mbk s ASN 559 CO 0.77 0.20 -0.23 -0.63 -1.51 0.00 0.00 177.10 175.70 3mbk s ILE 560 N 0.18 1.89 -0.17 0.60 1.01 -0.64 -1.61 121.20 122.46 3mbk s ILE 560 Ca -0.04 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 3mbk s ILE 560 Cb -0.14 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 3mbk s ILE 560 CO 0.04 0.53 -0.08 -0.22 0.00 0.00 0.00 174.94 175.20 3mbk s LEU 561 N -0.05 2.89 -0.22 2.97 2.96 -0.41 -0.45 118.68 126.37 3mbk s LEU 561 Ca -0.05 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 3mbk s LEU 561 Cb -0.14 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 3mbk s LEU 561 CO 0.04 0.10 0.04 -0.63 -1.32 0.00 0.00 176.35 174.58 3mbk s ILE 562 N 0.73 4.26 -0.31 6.68 1.01 0.51 -0.55 121.20 133.53 3mbk s ILE 562 Ca -0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 3mbk s ILE 562 Cb -0.15 -2.95 0.04 0.00 0.01 0.00 0.00 42.46 39.41 3mbk s ILE 562 CO 0.02 0.40 0.05 -0.69 0.00 0.00 0.00 174.94 174.72 3mbk s VAL 563 N 1.12 3.44 0.00 2.92 1.01 -0.10 -1.09 120.40 127.69 3mbk s VAL 563 Ca 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.84 3mbk s VAL 563 Cb -0.14 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.31 3mbk s VAL 563 CO 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 175.10 175.03 3mbk n ALA 564 N 4.74 0.00 -2.56 5.51 0.00 -0.09 -2.12 120.51 125.98 3mbk n ALA 564 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.04 3mbk n ALA 564 Cb 0.45 0.00 -0.11 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 2.49 2.42 0.24 0.00 3.76 -1.26 -1.28 115.29 121.66 3mbk s HIS 565 Ca 0.00 -0.54 -0.05 0.00 -0.15 0.00 0.00 55.06 54.32 3mbk s HIS 565 Cb 0.00 -1.45 0.45 0.00 1.11 0.00 0.00 32.58 32.69 3mbk s HIS 565 CO 0.00 0.55 1.69 0.00 -0.85 0.00 0.00 174.74 176.13 3mbk h ALA 566 N 1.98 0.95 0.00 -1.40 0.00 -1.90 -1.03 119.26 117.86 3mbk h ALA 566 Ca -0.42 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3mbk h ALA 566 Cb 1.25 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3mbk h ALA 566 CO 0.72 -0.32 -0.03 0.66 0.00 0.00 0.00 179.25 180.28 3mbk h SER 567 N 0.29 0.00 0.49 0.00 4.64 -1.96 -3.20 113.55 113.81 3mbk h SER 567 Ca 0.41 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.62 3mbk h SER 567 Cb 0.69 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3mbk h SER 567 CO -0.49 0.03 -0.53 0.28 -0.87 0.00 0.00 176.83 175.25 3mbk h SER 568 N 0.00 0.04 -0.21 4.97 0.02 -1.55 -1.32 113.55 115.50 3mbk h SER 568 Ca -0.00 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3mbk h SER 568 Cb 0.43 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 3mbk h SER 568 CO 0.00 0.56 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.13 3mbk h LEU 569 N 0.03 -0.19 0.14 5.07 4.07 -1.64 -0.80 115.31 121.99 3mbk h LEU 569 Ca -0.00 0.06 -0.22 0.00 0.08 0.00 0.00 57.88 57.80 3mbk h LEU 569 Cb 0.94 0.13 0.02 0.00 1.08 0.00 0.00 40.66 42.82 3mbk h LEU 569 CO 0.07 -0.07 -1.01 -0.08 -1.08 0.00 0.00 178.44 176.28 3mbk h GLU 570 N 0.00 0.29 -0.92 1.13 4.81 -1.79 -3.29 114.58 114.82 3mbk h GLU 570 Ca 0.10 -0.50 0.04 0.00 -0.13 0.00 0.00 59.36 58.87 3mbk h GLU 570 Cb 0.15 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 3mbk h GLU 570 CO -0.21 1.24 0.60 0.00 -0.73 0.00 0.00 179.01 179.91 3mbk h ALA 571 N 0.04 1.43 0.00 2.92 0.00 -1.18 0.37 119.26 122.84 3mbk h ALA 571 Ca -0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3mbk h ALA 571 Cb 1.69 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3mbk h ALA 571 CO 0.13 0.47 -0.16 0.00 0.00 0.00 0.00 179.25 179.69 3mbk n THR 573 N -3.20 0.00 0.32 0.00 -2.24 -0.82 -4.59 114.28 103.75 3mbk n THR 573 Ca 0.02 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 3mbk n THR 573 Cb 0.50 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.93 0.00 -0.83 0.00 4.20 -1.83 -1.99 115.11 113.73 3mbk h GLN 575 Ca -0.08 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.74 3mbk h GLN 575 Cb 0.64 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.36 3mbk h GLN 575 CO 0.14 0.38 0.54 1.25 -0.67 0.00 0.00 178.83 180.47 3mbk h LEU 576 N 0.00 0.64 -0.65 1.46 5.85 -1.79 -0.14 115.31 120.68 3mbk h LEU 576 Ca -0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3mbk h LEU 576 Cb 0.84 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3mbk h LEU 576 CO 0.05 0.36 0.00 0.00 -0.34 0.00 0.00 178.44 178.51 3mbk n GLN 577 N -4.52 1.43 -0.53 1.25 6.02 -0.89 -4.45 117.38 115.68 3mbk n GLN 577 Ca 0.15 -0.65 0.00 0.00 -0.01 0.00 0.00 57.00 56.49 3mbk n GLN 577 Cb 0.39 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.28 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 1.12 3.86 1.08 0.00 -0.06 -4.83 105.19 107.36 3mbk n GLY 578 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 3.38 -0.06 0.99 1.43 -0.80 -4.95 118.68 118.67 3mbk s LEU 579 Ca 0.00 1.49 -0.20 0.00 -1.03 0.00 0.00 54.13 54.39 3mbk s LEU 579 Cb 0.00 -4.49 -0.05 0.00 0.03 0.00 0.00 46.19 41.69 3mbk s LEU 579 CO 0.00 -0.78 0.55 -0.94 0.23 0.00 0.00 176.35 175.41 3mbk s SER 580 N -3.74 6.85 0.51 2.29 1.04 -1.26 -4.02 113.70 115.38 3mbk s SER 580 Ca 0.57 1.02 -0.22 0.00 0.48 0.00 0.00 55.95 57.79 3mbk s SER 580 Cb -0.11 -2.33 -0.07 0.00 0.10 0.00 0.00 66.02 63.61 3mbk s SER 580 CO 0.45 0.05 1.19 -2.65 0.98 0.00 0.00 173.24 173.25 3mbk n PRO 581 N 3.19 1.50 -1.00 4.02 -0.02 -1.26 -4.99 135.00 136.44 3mbk n PRO 581 Ca -0.07 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.66 3mbk n PRO 581 Cb 0.51 -2.35 0.14 0.00 -0.02 0.00 0.00 33.50 31.79 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 -2.56 1.42 0.78 -0.52 -0.21 -1.26 -5.02 119.66 112.29 3mbk s GLN 582 Ca 0.69 1.23 -0.12 0.00 0.02 0.00 0.00 55.36 57.17 3mbk s GLN 582 Cb -0.46 -1.80 0.07 0.00 1.00 0.00 0.00 33.01 31.82 3mbk s GLN 582 CO 0.52 -2.25 1.15 0.54 -2.12 0.00 0.00 175.29 173.13 3mbk s ASN 583 N -3.08 4.04 0.39 5.90 2.20 -1.26 -4.81 114.94 118.33 3mbk s ASN 583 Ca 0.64 2.13 0.09 0.00 -0.94 0.00 0.00 52.86 54.78 3mbk s ASN 583 Cb -0.20 -2.56 0.81 0.00 -2.00 0.00 0.00 41.25 37.30 3mbk s ASN 583 CO 0.57 -2.36 1.94 0.77 -2.94 0.00 0.00 177.10 175.09 3mbk h SER 584 N -0.90 0.26 -0.29 3.54 4.64 -1.99 -1.31 113.55 117.50 3mbk h SER 584 Ca -0.45 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 60.77 3mbk h SER 584 Cb 1.26 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3mbk h SER 584 CO 0.48 0.36 -0.03 0.50 -0.87 0.00 0.00 176.83 177.28 3mbk h LYS 585 N 0.27 0.54 -0.59 4.77 3.64 -2.00 -1.78 116.57 121.41 3mbk h LYS 585 Ca 0.06 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 3mbk h LYS 585 Cb 0.29 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3mbk h LYS 585 CO 0.01 0.71 0.00 -0.44 -2.27 0.00 0.00 179.45 177.47 3mbk h ASP 586 N 0.32 1.00 -0.28 4.20 3.32 -1.88 -2.74 116.42 120.37 3mbk h ASP 586 Ca 0.08 -0.28 0.04 0.00 0.02 0.00 0.00 57.03 56.89 3mbk h ASP 586 Cb 0.48 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 3mbk h ASP 586 CO 0.02 1.05 0.06 0.15 -1.72 0.00 0.00 179.24 178.80 3mbk h PHE 587 N 0.94 0.09 -0.67 4.55 3.57 -1.08 -1.88 116.94 122.46 3mbk h PHE 587 Ca 0.17 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3mbk h PHE 587 Cb 0.54 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 3mbk h PHE 587 CO 0.04 0.02 0.24 0.28 -2.23 0.00 0.00 178.31 176.66 3mbk h VAL 588 N 0.16 1.25 -0.97 1.41 2.07 -1.22 -0.89 116.25 118.06 3mbk h VAL 588 Ca 0.13 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.85 3mbk h VAL 588 Cb 0.13 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 3mbk h VAL 588 CO -0.17 0.32 0.64 1.56 0.02 0.00 0.00 177.57 179.94 3mbk h GLN 589 N 0.97 1.27 -0.43 1.57 1.08 -1.26 -2.60 115.11 115.71 3mbk h GLN 589 Ca 0.22 -0.08 -0.09 0.00 -1.45 0.00 0.00 58.65 57.26 3mbk h GLN 589 Cb 0.25 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 3mbk h GLN 589 CO -0.01 0.84 -0.07 1.98 -0.95 0.00 0.00 178.83 180.62 3mbk h MET 590 N 1.31 0.80 -0.19 1.46 4.05 -0.76 -3.18 114.93 118.43 3mbk h MET 590 Ca 0.36 -0.29 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 3mbk h MET 590 Cb -0.14 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.60 3mbk h MET 590 CO -0.08 0.90 0.09 0.28 0.23 0.00 0.00 176.91 178.33 3mbk h VAL 591 N 0.63 1.07 0.00 -5.77 2.07 -0.80 -0.05 116.25 113.39 3mbk h VAL 591 Ca 0.11 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3mbk h VAL 591 Cb 0.59 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3mbk h VAL 591 CO 0.04 0.08 0.00 0.54 0.02 0.00 0.00 177.57 178.24 3mbk n ARG 592 N -4.47 0.05 0.00 1.57 1.74 -1.08 -2.48 116.66 111.98 3mbk n ARG 592 Ca -0.00 0.24 0.12 0.00 -0.77 0.00 0.00 57.85 57.44 3mbk n ARG 592 Cb 0.10 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.45 2.01 -3.17 5.56 5.02 -0.03 -4.89 118.16 121.22 3mbk n LYS 593 Ca 0.04 -1.57 -0.42 0.00 -2.02 0.00 0.00 58.31 54.35 3mbk n LYS 593 Cb 0.15 -1.47 -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 -2.07 4.93 0.87 -0.18 -1.09 -1.04 -5.06 121.20 117.58 3mbk s ILE 594 Ca 0.29 0.36 -0.13 0.00 -2.23 0.00 0.00 60.65 58.94 3mbk s ILE 594 Cb 0.20 -4.06 0.14 0.00 -1.58 0.00 0.00 42.46 37.16 3mbk s ILE 594 CO 0.34 -0.34 1.23 -2.16 -1.23 0.00 0.00 174.94 172.79 3mbk s PRO 595 N 2.59 1.31 0.30 2.79 0.04 -1.26 -4.90 135.00 135.86 3mbk s PRO 595 Ca 0.21 -0.23 -0.29 0.00 0.04 0.00 0.00 61.00 60.73 3mbk s PRO 595 Cb -0.15 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 3mbk s PRO 595 CO 0.15 -1.97 1.27 0.66 0.04 0.00 0.00 177.00 177.15 3mbk n TYR 596 N -3.49 2.05 -1.07 0.56 4.01 -1.26 -1.08 117.16 116.88 3mbk n TYR 596 Ca 0.12 0.55 -0.02 0.00 -0.16 0.00 0.00 57.90 58.38 3mbk n TYR 596 Cb 0.60 -2.40 -0.01 0.00 -0.31 0.00 0.00 39.34 37.22 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 1.28 0.65 -4.66 7.72 7.99 -0.85 -4.94 117.00 124.19 3mbk n LEU 597 Ca 0.08 0.06 -0.46 0.00 -0.01 0.00 0.00 56.01 55.68 3mbk n LEU 597 Cb 0.34 -2.43 -0.03 0.00 -0.11 0.00 0.00 43.42 41.18 3mbk n LEU 597 CO 0.62 -0.96 1.01 0.61 -1.51 0.00 0.00 177.39 177.16 3mbk n GLY 598 N 0.61 0.75 2.99 -0.72 0.00 -0.24 -4.53 105.19 104.05 3mbk n GLY 598 Ca -0.02 0.53 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 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 0.10 1.08 0.21 1.61 5.36 -1.26 -1.61 117.98 123.46 3mbk s PHE 599 Ca 0.71 -0.33 0.02 0.00 -0.96 0.00 0.00 56.93 56.37 3mbk s PHE 599 Cb -0.68 -0.81 -0.05 0.00 -0.34 0.00 0.00 43.02 41.14 3mbk s PHE 599 CO 0.48 -0.18 0.02 0.00 -1.46 0.00 0.00 175.22 174.08 3mbk s SER 601 N -3.24 1.10 -0.26 0.00 0.15 -1.26 -1.66 113.70 108.54 3mbk s SER 601 Ca 0.28 -0.09 -0.03 0.00 0.70 0.00 0.00 55.95 56.82 3mbk s SER 601 Cb 0.06 -0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.00 3mbk s SER 601 CO 0.07 -0.12 -0.03 0.00 1.20 0.00 0.00 173.24 174.36 3mbk s GLU 603 N 1.36 2.88 -0.38 0.00 2.12 0.26 -0.72 118.70 124.22 3mbk s GLU 603 Ca 0.01 -0.50 -0.22 0.00 0.36 0.00 0.00 54.97 54.61 3mbk s GLU 603 Cb -0.17 -2.73 0.01 0.00 0.26 0.00 0.00 34.13 31.51 3mbk s GLU 603 CO -0.03 0.67 0.73 -2.00 -0.54 0.00 0.00 175.26 174.09 3mbk s GLU 604 N -1.17 3.65 0.18 4.30 2.12 -0.53 -0.84 118.70 126.41 3mbk s GLU 604 Ca 0.16 0.13 -0.30 0.00 0.36 0.00 0.00 54.97 55.32 3mbk s GLU 604 Cb -0.11 -3.84 -0.09 0.00 0.26 0.00 0.00 34.13 30.35 3mbk s GLU 604 CO 0.06 -0.87 1.34 -0.51 -0.54 0.00 0.00 175.26 174.74 3mbk s LEU 605 N 3.00 4.40 0.19 2.70 1.02 -0.44 -4.46 118.68 125.09 3mbk s LEU 605 Ca 0.29 2.40 -0.10 0.00 0.02 0.00 0.00 54.13 56.74 3mbk s LEU 605 Cb -0.13 -3.60 0.11 0.00 0.02 0.00 0.00 46.19 42.58 3mbk s LEU 605 CO 0.17 -0.58 1.75 1.23 0.02 0.00 0.00 176.35 178.95 3mbk h GLY 606 N 5.75 1.10 2.00 -3.19 0.00 -1.95 -0.15 103.07 106.63 3mbk h GLY 606 Ca -0.44 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.18 3mbk h GLY 606 CO 0.80 0.56 -0.54 0.83 0.00 0.00 0.00 176.54 178.19 3mbk h GLU 607 N 0.98 0.00 0.00 4.80 5.08 -1.98 -3.37 114.58 120.09 3mbk h GLU 607 Ca 0.23 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3mbk h GLU 607 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3mbk h GLU 607 CO -0.02 0.54 -1.02 0.25 -1.00 0.00 0.00 179.01 177.77 3mbk n THR 608 N -3.46 0.01 -0.96 1.13 -2.24 -1.21 -5.02 114.28 102.53 3mbk n THR 608 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3mbk n THR 608 Cb 0.65 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 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 2.78 0.53 3.73 3.38 0.00 -0.07 -5.03 105.19 110.52 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 -2.06 4.81 0.14 -0.61 1.01 -1.26 -4.75 121.20 118.48 3mbk s ILE 610 Ca 0.00 1.66 -0.25 0.00 0.00 0.00 0.00 60.65 62.06 3mbk s ILE 610 Cb 0.00 -4.13 -0.07 0.00 0.01 0.00 0.00 42.46 38.26 3mbk s ILE 610 CO 0.00 0.31 0.78 0.26 0.00 0.00 0.00 174.94 176.29 3mbk s TRP 611 N 0.28 3.87 -0.12 3.97 0.52 -1.26 -1.33 118.94 124.87 3mbk s TRP 611 Ca 0.40 1.61 -0.14 0.00 0.02 0.00 0.00 56.10 57.99 3mbk s TRP 611 Cb -0.20 -2.79 0.04 0.00 -1.15 0.00 0.00 33.47 29.37 3mbk s TRP 611 CO 0.23 0.45 0.39 1.14 0.02 0.00 0.00 176.95 179.18 3mbk s GLN 612 N -0.87 0.51 0.28 4.98 -2.07 -0.02 -4.40 119.66 118.06 3mbk s GLN 612 Ca 0.37 0.42 -0.30 0.00 -1.82 0.00 0.00 55.36 54.02 3mbk s GLN 612 Cb -0.23 0.24 -0.11 0.00 -1.09 0.00 0.00 33.01 31.83 3mbk s GLN 612 CO 0.26 -0.08 1.53 -0.51 -1.32 0.00 0.00 175.29 175.16 3mbk s LEU 613 N -0.09 4.36 0.25 2.60 1.43 -1.26 -0.57 118.68 125.39 3mbk s LEU 613 Ca -0.03 2.85 0.02 0.00 -1.03 0.00 0.00 54.13 55.94 3mbk s LEU 613 Cb -0.03 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 3mbk s LEU 613 CO 0.01 -0.83 0.17 0.28 0.23 0.00 0.00 176.35 176.21 3mbk s THR 614 N -0.07 0.06 0.20 5.49 -1.32 0.11 -4.89 115.64 115.22 3mbk s THR 614 Ca 0.61 -2.00 -0.31 0.00 -1.21 0.00 0.00 61.69 58.78 3mbk s THR 614 Cb -0.45 -2.51 -0.10 0.00 -1.51 0.00 0.00 72.50 67.93 3mbk s THR 614 CO 0.47 0.00 1.52 -1.81 -2.21 0.00 0.00 174.62 172.59 3mbk s ASP 615 N -3.25 6.61 0.86 8.08 1.11 -1.26 -4.07 116.67 124.75 3mbk s ASP 615 Ca 0.39 2.63 -0.10 0.00 0.18 0.00 0.00 52.55 55.65 3mbk s ASP 615 Cb 0.06 -2.61 0.11 0.00 1.07 0.00 0.00 42.92 41.55 3mbk s ASP 615 CO 0.17 -0.78 1.13 -2.84 1.18 0.00 0.00 175.17 174.03 3mbk s PRO 616 N 0.54 1.50 0.00 8.23 0.02 -1.26 -4.90 135.00 139.13 3mbk s PRO 616 Ca 0.66 1.42 0.30 0.00 0.02 0.00 0.00 61.00 63.40 3mbk s PRO 616 Cb -0.43 -1.79 1.79 0.00 0.02 0.00 0.00 34.50 34.09 3mbk s PRO 616 CO 0.36 -2.25 2.16 -0.35 -0.33 0.00 0.00 177.00 176.59 3mbk n PRO 617 N -3.93 1.02 -4.34 5.54 -0.04 -1.26 -4.81 135.00 127.19 3mbk n PRO 617 Ca 0.11 -0.04 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 3mbk n PRO 617 Cb 0.52 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.00 1.76 0.67 0.52 -4.36 -1.26 -4.92 121.20 111.61 3mbk s ILE 618 Ca 0.46 -2.06 -0.13 0.00 -0.26 0.00 0.00 60.65 58.65 3mbk s ILE 618 Cb 0.21 -1.93 0.00 0.00 1.25 0.00 0.00 42.46 41.99 3mbk s ILE 618 CO 0.35 -0.46 1.08 -0.76 0.24 0.00 0.00 174.94 175.39 3mbk s LEU 619 N -2.99 3.30 0.97 0.37 1.43 -1.26 -5.04 118.68 115.45 3mbk s LEU 619 Ca 0.19 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 55.00 3mbk s LEU 619 Cb -0.03 -4.53 0.17 0.00 0.03 0.00 0.00 46.19 41.83 3mbk s LEU 619 CO 0.07 -1.53 1.09 -2.16 0.23 0.00 0.00 176.35 174.04 3mbk s PRO 620 N -4.44 0.68 -0.13 1.29 0.04 -1.26 -5.06 135.00 126.11 3mbk s PRO 620 Ca 0.63 0.80 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 3mbk s PRO 620 Cb -0.17 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.65 3mbk s PRO 620 CO 0.46 -2.63 -0.09 -1.17 0.04 0.00 0.00 177.00 173.61 3mbk s LEU 621 N -6.47 1.37 -0.04 -3.56 2.96 -1.26 -5.12 118.68 106.56 3mbk s LEU 621 Ca 0.65 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 3mbk s LEU 621 Cb -0.20 -0.93 0.02 0.00 0.50 0.00 0.00 46.19 45.59 3mbk s LEU 621 CO 0.58 -0.12 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.56 3mbk s THR 622 N 1.65 0.55 0.15 3.68 2.01 -1.26 -5.00 115.64 117.41 3mbk s THR 622 Ca 0.04 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 61.77 3mbk s THR 622 Cb -0.13 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.83 3mbk s THR 622 CO -0.09 0.22 0.35 -1.38 -0.69 0.00 0.00 174.62 173.04 3mbk s HIS 623 N 0.79 0.08 0.38 4.92 -3.43 -1.26 -5.18 115.29 111.58 3mbk s HIS 623 Ca -0.11 -0.44 0.01 0.00 -0.80 0.00 0.00 55.06 53.73 3mbk s HIS 623 Cb -0.14 0.13 0.07 0.00 -1.43 0.00 0.00 32.58 31.22 3mbk s HIS 623 CO 0.00 -0.73 0.52 0.41 -2.00 0.00 0.00 174.74 172.94 3mbk n GLY 624 N -0.22 1.03 3.92 -1.38 0.00 -1.26 -5.11 105.19 102.17 3mbk n GLY 624 Ca -0.12 -2.05 -0.26 0.00 0.00 0.00 0.00 46.02 43.59 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 -3.76 3.03 -0.34 1.61 0.04 -1.26 -5.07 135.00 129.25 3mbk s PRO 625 Ca 0.35 -0.01 0.02 0.00 0.04 0.00 0.00 61.00 61.41 3mbk s PRO 625 Cb -0.02 -2.31 0.10 0.00 0.04 0.00 0.00 34.50 32.31 3mbk s PRO 625 CO 0.23 -0.59 0.09 0.99 0.04 0.00 0.00 177.00 177.76 3mbk s THR 626 N -2.92 1.70 0.83 1.26 2.01 -1.26 -5.13 115.64 112.13 3mbk s THR 626 Ca 0.53 -2.05 -0.12 0.00 0.31 0.00 0.00 61.69 60.36 3mbk s THR 626 Cb -0.10 -2.26 0.09 0.00 0.01 0.00 0.00 72.50 70.23 3mbk s THR 626 CO 0.45 -0.66 1.10 -0.83 -0.69 0.00 0.00 174.62 173.99 3mbk s GLY 627 N 1.08 1.62 0.46 4.40 0.00 -1.26 -4.97 107.32 108.64 3mbk s GLY 627 Ca 0.11 -0.22 -0.25 0.00 0.00 0.00 0.00 44.72 44.36 3mbk s GLY 627 CO -0.14 0.23 1.39 -0.32 0.00 0.00 0.00 173.10 174.26 3mbk s GLY 628 N -3.84 2.91 -0.10 0.20 0.00 -1.26 -5.01 107.32 100.22 3mbk s GLY 628 Ca 0.62 1.39 -0.03 0.00 0.00 0.00 0.00 44.72 46.69 3mbk s GLY 628 CO 0.55 1.98 0.15 -0.12 0.00 0.00 0.00 173.10 175.65 3mbk s PHE 629 N -1.24 -0.13 -0.35 1.90 5.36 -1.26 -5.10 117.98 117.15 3mbk s PHE 629 Ca 0.62 0.46 -0.03 0.00 -0.96 0.00 0.00 56.93 57.03 3mbk s PHE 629 Cb -0.42 -0.33 0.07 0.00 -0.34 0.00 0.00 43.02 42.01 3mbk s PHE 629 CO 0.53 -0.32 0.10 1.21 -1.46 0.00 0.00 175.22 175.28 3mbk s ASN 630 N 2.27 5.09 0.45 6.13 3.84 -1.26 -4.99 114.94 126.47 3mbk s ASN 630 Ca 0.04 -1.59 0.11 0.00 0.21 0.00 0.00 52.86 51.62 3mbk s ASN 630 Cb -0.13 -1.78 0.99 0.00 -0.55 0.00 0.00 41.25 39.79 3mbk s ASN 630 CO -0.06 -0.39 2.07 4.11 -2.79 0.00 0.00 177.10 180.04 3mbk h TRP 631 N 8.04 0.30 -0.52 0.43 5.08 -1.99 -1.84 115.95 125.45 3mbk h TRP 631 Ca -0.18 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.69 3mbk h TRP 631 Cb 1.06 -0.10 -0.02 0.00 -3.00 0.00 0.00 29.16 27.10 3mbk h TRP 631 CO 0.58 0.22 -0.10 0.00 -1.28 0.00 0.00 178.44 177.86 3mbk h ARG 632 N 0.32 0.97 0.00 0.12 3.08 -1.97 0.90 114.38 117.80 3mbk h ARG 632 Ca 0.08 -0.35 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 3mbk h ARG 632 Cb 0.02 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3mbk h ARG 632 CO -0.01 1.01 -0.60 0.93 -1.07 0.00 0.00 179.97 180.23 3mbk h GLU 633 N 0.86 0.00 0.00 0.04 5.08 -1.79 -3.28 114.58 115.49 3mbk h GLU 633 Ca 0.14 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.17 3mbk h GLU 633 Cb 0.65 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 3mbk h GLU 633 CO 0.04 0.60 -2.25 2.41 -1.00 0.00 0.00 179.01 178.82 3mbk n THR 634 N -3.74 1.25 0.16 1.13 -1.04 -0.84 -4.66 114.28 106.55 3mbk n THR 634 Ca -0.01 -0.60 0.09 0.00 -2.04 0.00 0.00 64.05 61.49 3mbk n THR 634 Cb 0.61 -0.98 -0.13 0.00 -1.82 0.00 0.00 70.33 68.02 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 -2.94 0.17 -0.25 -4.42 4.77 0.29 -5.08 117.00 109.53 3mbk n LEU 635 Ca -0.35 -0.11 0.15 0.00 -0.03 0.00 0.00 56.01 55.67 3mbk n LEU 635 Cb 0.98 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.80 3mbk n LEU 635 CO 0.29 0.04 0.98 0.18 -1.33 0.00 0.00 177.39 177.55