#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bud n SER 364 N 0.00 -8.08 -2.67 1.61 2.88 -1.26 -4.96 113.62 101.14 2bud n SER 364 Ca 0.00 1.11 -0.04 0.00 -1.33 0.00 0.00 58.87 58.61 2bud n SER 364 Cb 0.00 -3.99 0.10 0.00 -0.75 0.00 0.00 64.21 59.57 2bud n SER 364 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2bud n HIS 365 N 0.16 -0.80 -1.75 0.66 -0.00 -1.26 -5.13 115.22 107.10 2bud n HIS 365 Ca 0.00 -0.95 -0.41 0.00 0.46 0.00 0.00 57.72 56.81 2bud n HIS 365 Cb 0.00 1.25 0.00 0.00 -0.12 0.00 0.00 29.99 31.12 2bud n HIS 365 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 2bud n MET 366 N 0.36 2.44 -2.05 1.57 2.81 -1.26 -4.54 117.12 116.44 2bud n MET 366 Ca -0.06 0.86 0.00 0.00 -1.81 0.00 0.00 57.70 56.68 2bud n MET 366 Cb 0.74 -2.56 0.00 0.00 -0.71 0.00 0.00 33.22 30.69 2bud n MET 366 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2bud n ASP 367 N 0.43 -8.91 -2.03 7.83 8.00 -1.26 -4.61 116.55 116.00 2bud n ASP 367 Ca 0.03 1.36 -0.13 0.00 0.71 0.00 0.00 54.79 56.76 2bud n ASP 367 Cb 0.38 -5.04 -0.14 0.00 -0.02 0.00 0.00 41.12 36.31 2bud n ASP 367 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2bud n PRO 368 N 1.87 1.99 0.00 -0.24 -0.04 -1.26 -3.51 135.00 133.80 2bud n PRO 368 Ca 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 2bud n PRO 368 Cb 0.00 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 2bud n PRO 368 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2bud n LEU 369 N 2.17 0.00 -1.68 1.53 -0.00 -1.26 -4.93 117.00 112.82 2bud n LEU 369 Ca 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.38 2bud n LEU 369 Cb 0.83 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.21 2bud n LEU 369 CO 0.15 0.00 1.10 1.15 -0.00 0.00 0.00 177.39 179.79 2bud n MET 370 N -0.83 1.20 -1.69 1.47 0.00 -1.23 -4.93 117.12 111.11 2bud n MET 370 Ca 0.00 -0.27 -0.44 0.00 0.00 0.00 0.00 57.70 56.99 2bud n MET 370 Cb 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 33.22 31.89 2bud n MET 370 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2bud n GLN 371 N 1.83 2.25 -3.77 3.17 6.02 -1.26 -4.99 117.38 120.62 2bud n GLN 371 Ca 0.12 0.80 -0.13 0.00 -0.01 0.00 0.00 57.00 57.78 2bud n GLN 371 Cb 0.58 -2.51 -0.13 0.00 1.02 0.00 0.00 30.24 29.20 2bud n GLN 371 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2bud s LYS 372 N -0.22 0.21 0.30 -1.09 -0.14 -1.26 -5.09 119.74 112.45 2bud s LYS 372 Ca 0.69 0.38 0.00 0.00 -1.36 0.00 0.00 55.97 55.68 2bud s LYS 372 Cb -0.61 -0.00 0.00 0.00 -1.68 0.00 0.00 37.83 35.54 2bud s LYS 372 CO 0.47 -0.09 0.00 -0.89 -0.76 0.00 0.00 175.35 174.08 2bud n ILE 373 N 3.56 -6.80 -3.10 2.17 2.08 -1.26 -4.85 119.36 111.16 2bud n ILE 373 Ca -0.19 2.54 -0.38 0.00 0.56 0.00 0.00 62.75 65.28 2bud n ILE 373 Cb 0.56 -3.51 -0.02 0.00 -0.75 0.00 0.00 39.64 35.92 2bud n ILE 373 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2bud n ASP 374 N 0.89 5.69 0.00 4.38 8.00 -1.26 -4.93 116.55 129.32 2bud n ASP 374 Ca 0.00 -3.45 0.00 0.00 0.71 0.00 0.00 54.79 52.05 2bud n ASP 374 Cb 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 2bud n ASP 374 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2bud n ILE 375 N 1.06 0.00 -0.16 0.53 5.41 -1.26 -1.49 119.36 123.45 2bud n ILE 375 Ca 0.28 0.87 0.29 0.00 1.00 0.00 0.00 62.75 65.19 2bud n ILE 375 Cb 0.35 -1.83 0.72 0.00 -0.71 0.00 0.00 39.64 38.17 2bud n ILE 375 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2bud h SER 376 N 0.00 0.00 -0.20 4.38 0.02 -1.91 0.33 113.55 116.17 2bud h SER 376 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2bud h SER 376 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2bud h SER 376 CO 0.00 0.00 -0.47 -0.33 -1.14 0.00 0.00 176.83 174.89 2bud h GLU 377 N 0.00 0.76 -1.40 3.45 5.08 -1.95 -3.38 114.58 117.14 2bud h GLU 377 Ca 0.42 -0.44 -0.44 0.00 -1.00 0.00 0.00 59.36 57.90 2bud h GLU 377 Cb 1.81 0.03 -0.32 0.00 0.50 0.00 0.00 28.75 30.77 2bud h GLU 377 CO -0.00 1.06 -0.94 0.09 -1.00 0.00 0.00 179.01 178.22 2bud n ASN 378 N -4.02 -0.52 -0.34 1.42 5.03 0.84 -4.98 115.26 112.70 2bud n ASN 378 Ca -0.03 -3.01 0.09 0.00 0.87 0.00 0.00 54.58 52.50 2bud n ASN 378 Cb 0.58 0.13 0.26 0.00 -1.02 0.00 0.00 39.78 39.72 2bud n ASN 378 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 2bud h PRO 379 N 3.62 0.82 -0.45 3.52 0.11 -0.89 -1.02 132.00 137.71 2bud h PRO 379 Ca 0.02 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.99 2bud h PRO 379 Cb 0.96 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 2bud h PRO 379 CO 0.41 0.54 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.22 2bud h ASP 380 N 0.84 0.76 -1.85 -2.05 5.19 -1.94 -3.44 116.42 113.93 2bud h ASP 380 Ca 0.51 -0.21 -0.66 0.00 -0.62 0.00 0.00 57.03 56.05 2bud h ASP 380 Cb 0.64 -0.20 0.04 0.00 0.18 0.00 0.00 39.33 39.98 2bud h ASP 380 CO -0.32 0.88 0.77 1.17 -3.12 0.00 0.00 179.24 178.62 2bud n LYS 381 N -4.18 1.59 -3.09 3.56 4.81 -0.39 -4.93 118.16 115.53 2bud n LYS 381 Ca 0.02 0.58 -0.39 0.00 -0.87 0.00 0.00 58.31 57.64 2bud n LYS 381 Cb 0.34 -2.30 -0.05 0.00 0.02 0.00 0.00 35.03 33.04 2bud n LYS 381 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2bud s ILE 382 N 2.04 4.92 -0.02 3.15 -1.09 -1.26 -4.82 121.20 124.12 2bud s ILE 382 Ca 0.88 1.41 0.00 0.00 -2.23 0.00 0.00 60.65 60.72 2bud s ILE 382 Cb -0.87 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 35.96 2bud s ILE 382 CO 0.50 0.34 0.01 -0.31 -1.23 0.00 0.00 174.94 174.25 2bud s TYR 383 N 0.23 3.12 -0.01 3.97 1.51 -0.73 -4.91 117.35 120.53 2bud s TYR 383 Ca 0.35 0.12 -0.16 0.00 -1.01 0.00 0.00 57.07 56.37 2bud s TYR 383 Cb -0.19 -1.70 -0.06 0.00 -0.11 0.00 0.00 41.96 39.90 2bud s TYR 383 CO 0.19 0.47 0.44 -0.06 -1.11 0.00 0.00 175.55 175.48 2bud s PHE 384 N -1.05 3.70 -0.05 2.71 0.40 -1.09 0.89 117.98 123.49 2bud s PHE 384 Ca 0.18 1.01 0.05 0.00 -0.60 0.00 0.00 56.93 57.57 2bud s PHE 384 Cb -0.12 -2.35 -0.01 0.00 0.51 0.00 0.00 43.02 41.05 2bud s PHE 384 CO 0.09 0.56 -0.21 0.42 0.70 0.00 0.00 175.22 176.78 2bud s ILE 385 N -0.81 1.74 -0.24 0.64 1.09 0.09 -1.01 121.20 122.71 2bud s ILE 385 Ca 0.25 -0.89 -0.18 0.00 -1.10 0.00 0.00 60.65 58.72 2bud s ILE 385 Cb -0.17 -1.48 -0.03 0.00 -1.06 0.00 0.00 42.46 39.72 2bud s ILE 385 CO 0.13 0.49 0.50 -0.60 -0.10 0.00 0.00 174.94 175.37 2bud s ARG 386 N -0.08 4.11 0.56 2.79 3.52 0.24 -0.74 118.95 129.36 2bud s ARG 386 Ca -0.03 0.33 -0.14 0.00 -0.13 0.00 0.00 55.73 55.75 2bud s ARG 386 Cb -0.12 -3.61 -0.06 0.00 -1.56 0.00 0.00 34.95 29.59 2bud s ARG 386 CO 0.03 -0.26 1.01 1.03 -0.81 0.00 0.00 175.30 176.30 2bud s ARG 387 N 2.01 3.76 0.23 5.12 0.52 -1.00 -4.76 118.95 124.83 2bud s ARG 387 Ca 0.22 0.90 -0.07 0.00 -0.52 0.00 0.00 55.73 56.26 2bud s ARG 387 Cb -0.15 -2.11 0.39 0.00 0.52 0.00 0.00 34.95 33.60 2bud s ARG 387 CO 0.09 -0.43 1.72 0.93 0.02 0.00 0.00 175.30 177.62 2bud h GLU 388 N 0.39 0.35 -0.30 3.54 5.08 -1.97 0.28 114.58 121.95 2bud h GLU 388 Ca -0.46 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 2bud h GLU 388 Cb 1.19 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2bud h GLU 388 CO 0.61 0.23 0.20 0.38 -1.00 0.00 0.00 179.01 179.43 2bud h ASP 389 N 0.36 0.29 0.00 1.42 3.04 -2.04 -3.46 116.42 116.03 2bud h ASP 389 Ca 0.37 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 54.16 2bud h ASP 389 Cb 0.56 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.78 2bud h ASP 389 CO -0.41 0.20 0.00 0.61 -2.04 0.00 0.00 179.24 177.61 2bud n GLY 390 N -1.51 1.23 3.06 7.15 0.00 0.99 -5.11 105.19 111.00 2bud n GLY 390 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2bud n GLY 390 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bud s THR 391 N -2.00 2.05 0.29 2.61 -4.23 -1.24 -4.49 115.64 108.63 2bud s THR 391 Ca 0.00 -1.42 -0.29 0.00 -1.18 0.00 0.00 61.69 58.80 2bud s THR 391 Cb 0.00 -2.11 -0.10 0.00 1.34 0.00 0.00 72.50 71.63 2bud s THR 391 CO 0.00 0.09 1.25 -0.69 -0.54 0.00 0.00 174.62 174.73 2bud s VAL 392 N 1.19 3.04 -0.13 2.29 1.01 -1.06 -2.39 120.40 124.34 2bud s VAL 392 Ca -0.05 1.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.82 2bud s VAL 392 Cb -0.18 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2bud s VAL 392 CO -0.07 0.22 0.34 -1.00 0.00 0.00 0.00 175.10 174.59 2bud s HIS 393 N -0.91 -0.38 0.64 5.22 3.76 0.09 -3.69 115.29 120.01 2bud s HIS 393 Ca 0.49 0.92 -0.18 0.00 -0.15 0.00 0.00 55.06 56.15 2bud s HIS 393 Cb -0.37 0.13 -0.02 0.00 1.11 0.00 0.00 32.58 33.43 2bud s HIS 393 CO 0.47 -0.19 1.11 0.54 -0.85 0.00 0.00 174.74 175.81 2bud n ARG 394 N 3.06 0.94 -3.65 1.40 1.74 -1.26 -0.73 116.66 118.16 2bud n ARG 394 Ca -0.14 0.37 -0.01 0.00 -0.77 0.00 0.00 57.85 57.30 2bud n ARG 394 Cb 0.57 -2.34 -0.06 0.00 -1.02 0.00 0.00 32.46 29.61 2bud n ARG 394 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2bud s GLY 395 N -1.36 0.37 -0.15 -0.13 0.00 0.26 -3.23 107.32 103.07 2bud s GLY 395 Ca 0.79 3.53 -0.15 0.00 0.00 0.00 0.00 44.72 48.89 2bud s GLY 395 CO 0.44 2.48 0.33 1.20 0.00 0.00 0.00 173.10 177.55 2bud s GLN 396 N 0.82 4.28 -0.01 2.90 -0.21 -0.21 -1.78 119.66 125.45 2bud s GLN 396 Ca -0.04 0.17 -0.24 0.00 0.02 0.00 0.00 55.36 55.27 2bud s GLN 396 Cb -0.03 -3.43 -0.05 0.00 1.00 0.00 0.00 33.01 30.50 2bud s GLN 396 CO -0.12 0.22 0.72 0.08 -2.12 0.00 0.00 175.29 174.07 2bud s VAL 397 N 0.52 4.90 0.00 1.09 1.01 -1.26 -0.95 120.40 125.71 2bud s VAL 397 Ca 0.19 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.68 2bud s VAL 397 Cb -0.13 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2bud s VAL 397 CO 0.05 0.31 0.00 0.18 0.00 0.00 0.00 175.10 175.64 2bud n LEU 398 N 3.28 2.61 -4.33 3.92 4.77 -1.19 -4.76 117.00 121.30 2bud n LEU 398 Ca -0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.76 2bud n LEU 398 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 2bud n LEU 398 CO 0.47 0.43 -0.17 -1.10 -1.33 0.00 0.00 177.39 175.69 2bud s GLN 399 N -1.95 1.67 -0.24 3.23 -1.52 -1.26 -4.96 119.66 114.63 2bud s GLN 399 Ca 0.00 -1.97 -0.23 0.00 -1.95 0.00 0.00 55.36 51.21 2bud s GLN 399 Cb 0.00 0.02 0.06 0.00 -0.22 0.00 0.00 33.01 32.87 2bud s GLN 399 CO 0.00 -0.53 0.65 -1.54 -0.25 0.00 0.00 175.29 173.62 2bud s SER 400 N -3.39 -0.67 -0.04 5.90 1.04 -1.26 -0.32 113.70 114.96 2bud s SER 400 Ca 0.36 1.30 -0.03 0.00 0.48 0.00 0.00 55.95 58.06 2bud s SER 400 Cb 0.04 1.31 0.02 0.00 0.10 0.00 0.00 66.02 67.49 2bud s SER 400 CO 0.20 -0.23 0.09 0.00 0.98 0.00 0.00 173.24 174.28 2bud s ARG 401 N 0.32 0.08 0.20 4.02 1.70 -0.55 -4.93 118.95 119.79 2bud s ARG 401 Ca -0.00 0.17 -0.30 0.00 -0.47 0.00 0.00 55.73 55.13 2bud s ARG 401 Cb -0.04 -0.03 -0.08 0.00 -0.57 0.00 0.00 34.95 34.23 2bud s ARG 401 CO 0.01 -0.06 1.03 0.95 -1.08 0.00 0.00 175.30 176.15 2bud s THR 402 N 0.37 3.98 0.62 4.99 -4.23 -1.26 -0.98 115.64 119.13 2bud s THR 402 Ca -0.03 1.81 -0.10 0.00 -1.18 0.00 0.00 61.69 62.19 2bud s THR 402 Cb -0.04 -4.16 0.16 0.00 1.34 0.00 0.00 72.50 69.80 2bud s THR 402 CO -0.01 0.36 0.40 0.41 -0.54 0.00 0.00 174.62 175.24 2bud n THR 403 N 2.00 0.00 -0.33 3.99 -1.04 -1.19 -4.69 114.28 113.01 2bud n THR 403 Ca 0.01 -0.05 0.17 0.00 -2.04 0.00 0.00 64.05 62.13 2bud n THR 403 Cb 0.47 -0.59 0.37 0.00 -1.82 0.00 0.00 70.33 68.75 2bud n THR 403 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2bud h GLU 404 N 0.00 0.51 -2.41 -2.82 5.08 -1.96 -1.67 114.58 111.31 2bud h GLU 404 Ca -0.17 -0.03 -0.40 0.00 -1.00 0.00 0.00 59.36 57.75 2bud h GLU 404 Cb 0.57 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2bud h GLU 404 CO 0.11 0.34 1.39 -1.71 -1.00 0.00 0.00 179.01 178.13 2bud n ASN 405 N -4.93 6.75 -4.53 1.42 5.15 -1.26 -4.91 115.26 112.94 2bud n ASN 405 Ca 0.26 -2.55 -0.34 0.00 -0.60 0.00 0.00 54.58 51.35 2bud n ASN 405 Cb 0.73 -1.47 -0.09 0.00 -0.53 0.00 0.00 39.78 38.42 2bud n ASN 405 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bud n ALA 406 N 2.87 0.59 0.00 5.20 0.00 -0.63 -3.35 120.51 125.19 2bud n ALA 406 Ca 0.58 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2bud n ALA 406 Cb 0.62 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 17.24 2bud n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bud n ALA 407 N 13.55 0.00 0.02 0.00 0.00 -1.26 -5.01 120.51 127.80 2bud n ALA 407 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2bud n ALA 407 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2bud n ALA 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bud n ALA 408 N -0.07 2.17 -1.65 0.00 0.00 -1.21 -5.10 120.51 114.64 2bud n ALA 408 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2bud n ALA 408 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 2bud n ALA 408 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2bud n PRO 409 N -2.62 1.39 -3.60 0.00 -0.02 -1.26 -4.97 135.00 123.92 2bud n PRO 409 Ca 0.00 0.51 -0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2bud n PRO 409 Cb 0.00 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.18 2bud n PRO 409 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2bud s ASP 410 N -0.88 -0.34 -0.01 2.55 -4.77 -1.26 -3.20 116.67 108.77 2bud s ASP 410 Ca 0.68 0.53 0.02 0.00 -3.30 0.00 0.00 52.55 50.48 2bud s ASP 410 Cb -0.48 1.18 -0.03 0.00 -1.09 0.00 0.00 42.92 42.50 2bud s ASP 410 CO 0.53 -0.08 -0.02 -1.61 0.70 0.00 0.00 175.17 174.69 2bud s GLU 411 N 1.37 2.73 -0.20 2.11 8.01 -0.15 -4.35 118.70 128.22 2bud s GLU 411 Ca -0.08 -0.63 -0.05 0.00 0.01 0.00 0.00 54.97 54.22 2bud s GLU 411 Cb -0.03 -2.63 -0.02 0.00 -4.31 0.00 0.00 34.13 27.14 2bud s GLU 411 CO -0.13 0.62 -0.01 0.71 0.01 0.00 0.00 175.26 176.46 2bud s TYR 412 N -1.05 3.02 0.60 1.61 1.51 -0.64 -1.48 117.35 120.93 2bud s TYR 412 Ca 0.18 -0.53 -0.19 0.00 -1.01 0.00 0.00 57.07 55.53 2bud s TYR 412 Cb -0.11 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 2bud s TYR 412 CO 0.09 -0.28 1.23 -0.47 -1.11 0.00 0.00 175.55 175.01 2bud s TYR 413 N 1.05 2.31 -0.19 2.71 5.04 0.56 -2.05 117.35 126.79 2bud s TYR 413 Ca 0.02 1.50 -0.16 0.00 -2.44 0.00 0.00 57.07 55.99 2bud s TYR 413 Cb -0.14 -3.54 0.05 0.00 0.35 0.00 0.00 41.96 38.68 2bud s TYR 413 CO 0.01 -2.40 0.49 0.54 -1.34 0.00 0.00 175.55 172.85 2bud s VAL 414 N -1.53 -0.00 -0.29 3.14 0.11 -0.53 -3.17 120.40 118.11 2bud s VAL 414 Ca 0.79 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.87 2bud s VAL 414 Cb -0.32 -0.70 0.07 0.00 -1.53 0.00 0.00 36.38 33.90 2bud s VAL 414 CO 0.35 0.01 -0.04 -2.28 -3.33 0.00 0.00 175.10 169.81 2bud s HIS 415 N 0.56 3.39 0.15 1.54 2.46 -0.13 -2.81 115.29 120.45 2bud s HIS 415 Ca -0.02 -2.37 -0.31 0.00 0.47 0.00 0.00 55.06 52.82 2bud s HIS 415 Cb -0.04 -2.24 -0.10 0.00 -0.13 0.00 0.00 32.58 30.06 2bud s HIS 415 CO -0.03 -0.88 1.70 0.71 -2.47 0.00 0.00 174.74 173.77 2bud s TYR 416 N 1.10 2.65 -0.07 3.88 1.51 -1.26 -1.04 117.35 124.12 2bud s TYR 416 Ca -0.03 0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.34 2bud s TYR 416 Cb -0.20 -4.07 0.07 0.00 -0.11 0.00 0.00 41.96 37.66 2bud s TYR 416 CO -0.05 -4.16 1.48 0.28 -1.11 0.00 0.00 175.55 171.99 2bud n VAL 417 N 4.32 1.65 0.00 0.71 0.31 -1.20 -4.17 118.33 119.95 2bud n VAL 417 Ca 0.16 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2bud n VAL 417 Cb 0.38 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 2bud n VAL 417 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bud n GLY 418 N 0.66 -0.09 3.74 2.92 0.00 -1.26 -5.02 105.19 106.14 2bud n GLY 418 Ca 0.08 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2bud n GLY 418 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bud s LEU 419 N -3.70 3.59 1.06 0.99 1.02 -1.26 -4.96 118.68 115.42 2bud s LEU 419 Ca 0.00 2.49 -0.16 0.00 0.02 0.00 0.00 54.13 56.49 2bud s LEU 419 Cb 0.00 -4.61 0.10 0.00 0.02 0.00 0.00 46.19 41.70 2bud s LEU 419 CO 0.00 -1.84 0.26 -3.20 0.02 0.00 0.00 176.35 171.59 2bud n ASN 420 N -1.83 -2.14 0.24 2.29 5.15 -1.26 -4.74 115.26 112.98 2bud n ASN 420 Ca 0.15 0.05 0.09 0.00 -0.60 0.00 0.00 54.58 54.26 2bud n ASN 420 Cb 0.49 -1.09 0.61 0.00 -0.53 0.00 0.00 39.78 39.26 2bud n ASN 420 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2bud h ARG 421 N -1.94 0.00 -1.00 1.20 3.08 -1.95 -2.53 114.38 111.25 2bud h ARG 421 Ca -0.50 0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.69 2bud h ARG 421 Cb 1.33 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.29 2bud h ARG 421 CO 0.38 0.16 0.62 -0.09 -1.07 0.00 0.00 179.97 179.97 2bud h ARG 422 N 0.00 0.87 -0.15 0.04 2.43 -2.03 0.36 114.38 115.90 2bud h ARG 422 Ca -0.00 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 58.97 2bud h ARG 422 Cb 0.33 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2bud h ARG 422 CO 0.02 0.58 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.46 2bud h LEU 423 N 0.90 0.48 -9.49 3.80 -0.00 -1.78 -3.44 115.31 105.78 2bud h LEU 423 Ca 0.52 -0.25 -0.60 0.00 -0.00 0.00 0.00 57.88 57.55 2bud h LEU 423 Cb 0.65 -0.14 0.07 0.00 -0.00 0.00 0.00 40.66 41.23 2bud h LEU 423 CO -0.30 0.92 0.67 0.47 -0.00 0.00 0.00 178.44 180.20 2bud n ASP 424 N -3.95 2.69 0.00 -0.43 8.00 0.12 -4.82 116.55 118.15 2bud n ASP 424 Ca -0.03 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.58 2bud n ASP 424 Cb 0.58 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 2bud n ASP 424 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bud n GLY 425 N 2.86 -0.70 3.77 0.44 0.00 -1.12 -5.02 105.19 105.42 2bud n GLY 425 Ca 0.16 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 2bud n GLY 425 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bud s TRP 426 N -4.00 3.36 0.00 1.61 0.52 -1.26 -1.46 118.94 117.71 2bud s TRP 426 Ca 0.00 0.35 -0.01 0.00 0.02 0.00 0.00 56.10 56.45 2bud s TRP 426 Cb 0.00 -1.86 -0.01 0.00 -1.15 0.00 0.00 33.47 30.46 2bud s TRP 426 CO 0.00 0.59 0.02 0.14 0.02 0.00 0.00 176.95 177.73 2bud s VAL 427 N -0.96 0.05 0.61 4.03 -7.23 -0.87 -4.97 120.40 111.06 2bud s VAL 427 Ca 0.14 -0.41 -0.19 0.00 -1.81 0.00 0.00 61.98 59.71 2bud s VAL 427 Cb -0.12 -0.17 -0.03 0.00 0.56 0.00 0.00 36.38 36.62 2bud s VAL 427 CO 0.03 -0.22 1.26 0.61 -0.31 0.00 0.00 175.10 176.47 2bud n GLY 428 N 2.36 0.47 0.36 2.32 0.00 -1.26 -1.62 105.19 107.82 2bud n GLY 428 Ca -0.18 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 45.87 2bud n GLY 428 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2bud h ARG 429 N 0.81 0.80 -0.22 1.61 9.65 -1.91 0.67 114.38 125.81 2bud h ARG 429 Ca -0.50 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 58.39 2bud h ARG 429 Cb 1.33 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 2bud h ARG 429 CO 0.54 0.53 0.19 1.12 2.80 0.00 0.00 179.97 185.15 2bud h HIS 430 N 0.83 0.00 0.15 2.20 2.07 -1.95 -1.94 115.15 116.50 2bud h HIS 430 Ca 0.55 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.77 2bud h HIS 430 Cb 0.78 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.79 2bud h HIS 430 CO -0.00 0.00 -1.28 0.00 -3.07 0.00 0.00 177.93 173.57 2bud h ARG 431 N 0.00 0.54 -6.02 5.12 3.08 -1.16 -3.45 114.38 112.49 2bud h ARG 431 Ca 0.10 -0.77 -0.56 0.00 0.07 0.00 0.00 59.98 58.82 2bud h ARG 431 Cb 0.49 0.27 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 2bud h ARG 431 CO -0.00 1.35 0.03 0.42 -1.07 0.00 0.00 179.97 180.70 2bud s ILE 432 N -2.86 5.01 -0.27 2.04 1.01 -0.73 -0.59 121.20 124.80 2bud s ILE 432 Ca -0.08 1.32 -0.25 0.00 0.00 0.00 0.00 60.65 61.64 2bud s ILE 432 Cb 0.06 -3.98 0.08 0.00 0.01 0.00 0.00 42.46 38.62 2bud s ILE 432 CO 0.93 0.32 0.76 -0.44 0.00 0.00 0.00 174.94 176.51 2bud s SER 433 N 0.43 -0.71 0.60 3.58 0.01 -0.18 -4.89 113.70 112.54 2bud s SER 433 Ca 0.34 1.35 0.32 0.00 1.31 0.00 0.00 55.95 59.27 2bud s SER 433 Cb -0.18 1.37 1.90 0.00 0.21 0.00 0.00 66.02 69.33 2bud s SER 433 CO 0.17 -0.24 2.27 -2.24 0.41 0.00 0.00 173.24 173.61 2bud h ASP 434 N 4.85 0.00 -3.33 2.44 2.03 -1.94 -2.88 116.42 117.59 2bud h ASP 434 Ca -0.29 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.38 2bud h ASP 434 Cb 1.16 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.45 2bud h ASP 434 CO 0.06 0.00 -0.65 0.21 -1.03 0.00 0.00 179.24 177.83 2bud s ASN 435 N -6.01 4.89 -0.02 4.15 3.84 -1.26 -4.74 114.94 115.79 2bud s ASN 435 Ca -0.05 -0.12 -0.13 0.00 0.21 0.00 0.00 52.86 52.77 2bud s ASN 435 Cb 0.15 -1.81 -0.33 0.00 -0.55 0.00 0.00 41.25 38.71 2bud s ASN 435 CO 0.53 0.15 0.79 0.00 -2.79 0.00 0.00 177.10 175.78 2bud h ALA 436 N 6.87 0.03 -0.98 1.71 0.00 -1.93 -3.32 119.26 121.64 2bud h ALA 436 Ca -0.33 -1.03 0.25 0.00 0.00 0.00 0.00 54.91 53.80 2bud h ALA 436 Cb 1.19 0.35 -0.13 0.00 0.00 0.00 0.00 17.79 19.20 2bud h ALA 436 CO 0.63 0.88 0.55 -0.44 0.00 0.00 0.00 179.25 180.87 2bud h ASP 437 N 0.11 0.58 -0.08 0.00 5.19 -1.95 0.26 116.42 120.53 2bud h ASP 437 Ca -0.31 0.15 -0.16 0.00 -0.62 0.00 0.00 57.03 56.09 2bud h ASP 437 Cb 2.12 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 41.69 2bud h ASP 437 CO 0.22 0.05 -0.49 0.44 -3.12 0.00 0.00 179.24 176.33 2bud h ASP 438 N 0.51 0.71 0.00 6.45 3.32 -2.01 -3.38 116.42 122.02 2bud h ASP 438 Ca 0.64 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2bud h ASP 438 Cb 1.24 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2bud h ASP 438 CO -0.50 1.08 0.00 0.18 -1.72 0.00 0.00 179.24 178.28 2bud n LEU 439 N -3.99 0.00 -2.01 1.55 4.77 0.89 -4.90 117.00 113.31 2bud n LEU 439 Ca -0.03 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.23 2bud n LEU 439 Cb 0.58 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.72 2bud n LEU 439 CO 0.47 0.00 0.42 0.61 -1.33 0.00 0.00 177.39 177.56 2bud n GLY 440 N -0.32 0.19 1.11 -0.72 0.00 -1.08 -5.00 105.19 99.37 2bud n GLY 440 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2bud n GLY 440 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bud n GLY 441 N -0.61 -3.99 3.58 -0.02 0.00 -1.24 -4.38 105.19 98.52 2bud n GLY 441 Ca -0.08 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 2bud n GLY 441 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bud s ILE 442 N -3.71 3.36 0.40 -0.61 -1.09 -1.26 -2.58 121.20 115.71 2bud s ILE 442 Ca 0.00 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 2bud s ILE 442 Cb 0.00 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 2bud s ILE 442 CO 0.00 -0.68 0.00 0.41 -1.23 0.00 0.00 174.94 173.44 2bud n THR 443 N 8.20 -5.25 -1.84 2.92 -1.04 -1.24 -4.88 114.28 111.16 2bud n THR 443 Ca 0.43 2.36 0.00 0.00 -2.04 0.00 0.00 64.05 64.81 2bud n THR 443 Cb 0.46 -3.20 0.00 0.00 -1.82 0.00 0.00 70.33 65.77 2bud n THR 443 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2bud n VAL 444 N -0.01 -5.25 -3.71 12.58 3.14 -1.26 -4.94 118.33 118.87 2bud n VAL 444 Ca 0.00 2.43 -0.13 0.00 -2.96 0.00 0.00 64.34 63.68 2bud n VAL 444 Cb 0.00 -3.19 -0.10 0.00 -1.06 0.00 0.00 33.84 29.50 2bud n VAL 444 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 2bud s LEU 445 N -2.36 0.20 0.42 6.55 2.34 -1.26 -4.84 118.68 119.73 2bud s LEU 445 Ca 0.00 0.93 -0.25 0.00 0.06 0.00 0.00 54.13 54.88 2bud s LEU 445 Cb 0.00 1.58 -0.08 0.00 -0.56 0.00 0.00 46.19 47.13 2bud s LEU 445 CO 0.00 -0.16 1.20 -2.16 -1.06 0.00 0.00 176.35 174.17 2bud s PRO 446 N 0.33 3.93 -0.28 1.48 0.04 -1.26 -5.05 135.00 134.18 2bud s PRO 446 Ca -0.01 1.90 -0.24 0.00 0.04 0.00 0.00 61.00 62.68 2bud s PRO 446 Cb -0.04 -2.60 0.13 0.00 0.04 0.00 0.00 34.50 32.03 2bud s PRO 446 CO -0.00 -0.45 1.07 0.00 0.04 0.00 0.00 177.00 177.66 2bud s ALA 447 N -1.41 -2.02 0.25 8.56 0.00 -1.26 -5.15 121.76 120.73 2bud s ALA 447 Ca 0.59 1.88 -0.31 0.00 0.00 0.00 0.00 51.96 54.12 2bud s ALA 447 Cb -0.32 -1.50 -0.14 0.00 0.00 0.00 0.00 23.12 21.17 2bud s ALA 447 CO 0.40 -0.23 1.32 -2.30 0.00 0.00 0.00 175.76 174.95 2bud n PRO 448 N 2.24 1.86 -1.74 0.00 -0.02 -1.26 -4.86 135.00 131.22 2bud n PRO 448 Ca -0.13 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 2bud n PRO 448 Cb 0.56 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 2bud n PRO 448 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2bud s PRO 449 N -0.73 4.06 0.00 0.52 0.04 -1.26 -4.73 135.00 132.90 2bud s PRO 449 Ca 0.66 2.46 0.00 0.00 0.04 0.00 0.00 61.00 64.16 2bud s PRO 449 Cb -0.67 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 29.73 2bud s PRO 449 CO 0.53 -1.03 0.00 -0.11 0.04 0.00 0.00 177.00 176.43 2bud n LEU 450 N 7.80 0.00 -3.61 -3.56 7.94 -1.26 -5.16 117.00 119.15 2bud n LEU 450 Ca 0.20 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.04 2bud n LEU 450 Cb 0.42 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.32 2bud n LEU 450 CO 0.67 0.00 0.97 0.00 -1.11 0.00 0.00 177.39 177.91 2bud s ALA 451 N 0.00 -2.03 0.00 1.96 0.00 -1.26 -5.02 121.76 115.41 2bud s ALA 451 Ca 0.00 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2bud s ALA 451 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2bud s ALA 451 CO 0.00 -0.29 0.62 -0.35 0.00 0.00 0.00 175.76 175.74 2bud n PRO 452 N 0.58 0.61 -2.60 0.00 -0.04 -1.26 -4.85 135.00 127.44 2bud n PRO 452 Ca -0.05 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.06 2bud n PRO 452 Cb 0.58 -1.19 -0.04 0.00 -0.04 0.00 0.00 33.50 32.81 2bud n PRO 452 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2bud s ASP 453 N 1.02 6.63 0.00 3.54 -4.77 -1.26 -5.29 116.67 116.53 2bud s ASP 453 Ca 0.00 1.93 0.00 0.00 -3.30 0.00 0.00 52.55 51.18 2bud s ASP 453 Cb 0.00 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 2bud s ASP 453 CO 0.00 -0.58 0.00 1.67 0.70 0.00 0.00 175.17 176.96