#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bud s SER 364 N 0.00 6.45 -0.04 1.61 0.01 -1.26 -4.86 113.70 115.61 2bud s SER 364 Ca 0.00 2.79 -0.00 0.00 1.31 0.00 0.00 55.95 60.05 2bud s SER 364 Cb 0.00 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.66 2bud s SER 364 CO 0.00 -0.92 1.75 0.00 0.41 0.00 0.00 173.24 174.49 2bud n HIS 365 N 3.84 0.20 -1.40 2.43 -0.00 -1.26 -4.93 115.22 114.10 2bud n HIS 365 Ca 0.15 -0.99 0.00 0.00 -0.00 0.00 0.00 57.72 56.88 2bud n HIS 365 Cb 0.36 -0.49 0.00 0.00 -0.00 0.00 0.00 29.99 29.86 2bud n HIS 365 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2bud n MET 366 N 1.10 -3.80 -1.65 -1.40 0.00 -1.26 -4.75 117.12 105.35 2bud n MET 366 Ca 0.04 2.91 -0.51 0.00 0.00 0.00 0.00 57.70 60.13 2bud n MET 366 Cb 0.53 -3.49 -0.06 0.00 0.00 0.00 0.00 33.22 30.20 2bud n MET 366 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2bud n ASP 367 N -1.89 2.49 -1.42 6.12 9.92 -1.26 -4.82 116.55 125.69 2bud n ASP 367 Ca 0.00 1.07 0.00 0.00 -0.53 0.00 0.00 54.79 55.33 2bud n ASP 367 Cb 0.27 -1.27 0.00 0.00 -0.64 0.00 0.00 41.12 39.48 2bud n ASP 367 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2bud n PRO 368 N 4.12 0.91 0.00 -0.24 -0.04 -1.26 -3.47 135.00 135.02 2bud n PRO 368 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2bud n PRO 368 Cb 0.22 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2bud n PRO 368 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2bud n LEU 369 N 1.31 -0.06 -1.33 1.53 7.94 -1.26 -4.94 117.00 120.18 2bud n LEU 369 Ca 0.00 0.08 -0.04 0.00 -1.11 0.00 0.00 56.01 54.95 2bud n LEU 369 Cb 0.46 0.16 0.02 0.00 0.53 0.00 0.00 43.42 44.59 2bud n LEU 369 CO 0.00 -0.03 0.78 0.80 -1.11 0.00 0.00 177.39 177.83 2bud n MET 370 N -2.20 1.18 -0.97 1.96 1.56 -1.25 -4.56 117.12 112.85 2bud n MET 370 Ca 0.00 -0.41 -0.11 0.00 -0.27 0.00 0.00 57.70 56.91 2bud n MET 370 Cb 0.00 -1.16 -0.14 0.00 2.15 0.00 0.00 33.22 34.07 2bud n MET 370 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2bud n GLN 371 N 0.64 1.91 -2.21 2.12 10.64 -1.23 -4.79 117.38 124.46 2bud n GLN 371 Ca 0.08 -0.96 0.00 0.00 -1.83 0.00 0.00 57.00 54.29 2bud n GLN 371 Cb 0.60 -1.89 0.00 0.00 -0.86 0.00 0.00 30.24 28.09 2bud n GLN 371 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2bud n LYS 372 N 2.29 -5.56 -1.57 2.61 5.02 -1.26 -4.95 118.16 114.73 2bud n LYS 372 Ca 0.38 3.96 0.00 0.00 -2.02 0.00 0.00 58.31 60.64 2bud n LYS 372 Cb 0.85 -4.54 0.00 0.00 -0.02 0.00 0.00 35.03 31.32 2bud n LYS 372 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2bud n ILE 373 N 1.92 -4.36 -3.87 -0.18 5.41 -1.26 -5.03 119.36 111.99 2bud n ILE 373 Ca 0.00 2.00 -0.15 0.00 1.00 0.00 0.00 62.75 65.60 2bud n ILE 373 Cb 0.00 -2.77 -0.16 0.00 -0.71 0.00 0.00 39.64 36.00 2bud n ILE 373 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2bud s ASP 374 N -3.50 0.20 0.03 4.38 1.11 -1.26 -5.01 116.67 112.63 2bud s ASP 374 Ca 0.00 0.00 -0.16 0.00 0.18 0.00 0.00 52.55 52.57 2bud s ASP 374 Cb 0.00 -0.10 -0.30 0.00 1.07 0.00 0.00 42.92 43.59 2bud s ASP 374 CO 0.00 -0.08 1.06 0.40 1.18 0.00 0.00 175.17 177.73 2bud h ILE 375 N 5.96 1.32 -0.22 0.77 2.04 -1.95 -3.24 117.51 122.18 2bud h ILE 375 Ca -0.39 -2.47 0.06 0.00 1.00 0.00 0.00 64.86 63.06 2bud h ILE 375 Cb 1.15 2.79 -0.01 0.00 -0.74 0.00 0.00 36.82 40.01 2bud h ILE 375 CO 0.49 0.74 0.65 0.77 0.00 0.00 0.00 178.15 180.80 2bud h SER 376 N 0.15 0.00 -0.31 1.72 4.64 -2.00 0.19 113.55 117.94 2bud h SER 376 Ca -0.19 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.16 2bud h SER 376 Cb 1.87 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.94 2bud h SER 376 CO 0.23 0.00 0.14 -0.33 -0.87 0.00 0.00 176.83 175.99 2bud h GLU 377 N 0.00 0.29 -0.83 4.77 4.39 -2.00 -3.43 114.58 117.76 2bud h GLU 377 Ca 0.10 -0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.93 2bud h GLU 377 Cb 1.41 -0.06 -0.21 0.00 -0.10 0.00 0.00 28.75 29.78 2bud h GLU 377 CO -0.00 0.19 -0.09 -0.80 -1.16 0.00 0.00 179.01 177.15 2bud s ASN 378 N -5.38 -1.00 0.08 1.42 0.02 0.66 -5.05 114.94 105.68 2bud s ASN 378 Ca -0.13 0.71 -0.15 0.00 -1.02 0.00 0.00 52.86 52.28 2bud s ASN 378 Cb 0.11 1.88 -0.19 0.00 0.02 0.00 0.00 41.25 43.06 2bud s ASN 378 CO 0.71 -0.19 1.24 -0.65 0.02 0.00 0.00 177.10 178.23 2bud h PRO 379 N 7.97 0.69 -0.01 -0.60 0.11 -1.84 -3.28 132.00 135.03 2bud h PRO 379 Ca -0.19 -0.62 -0.18 0.00 0.11 0.00 0.00 66.00 65.12 2bud h PRO 379 Cb 1.16 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2bud h PRO 379 CO 0.12 1.23 -0.80 -0.44 -0.21 0.00 0.00 178.00 177.90 2bud h ASP 380 N 0.37 0.22 -1.52 -2.05 5.19 -1.97 -3.46 116.42 113.21 2bud h ASP 380 Ca -0.07 -0.17 -0.71 0.00 -0.62 0.00 0.00 57.03 55.46 2bud h ASP 380 Cb 1.43 -0.07 0.05 0.00 0.18 0.00 0.00 39.33 40.92 2bud h ASP 380 CO 0.16 0.93 0.40 1.17 -3.12 0.00 0.00 179.24 178.78 2bud n LYS 381 N -3.70 0.89 -3.07 3.56 4.81 -1.24 -4.91 118.16 114.49 2bud n LYS 381 Ca -0.03 0.32 -0.40 0.00 -0.87 0.00 0.00 58.31 57.33 2bud n LYS 381 Cb 0.75 -1.94 -0.05 0.00 0.02 0.00 0.00 35.03 33.82 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 0.59 5.02 -0.06 3.15 -1.09 -1.26 -4.78 121.20 122.77 2bud s ILE 382 Ca 0.87 1.33 -0.05 0.00 -2.23 0.00 0.00 60.65 60.56 2bud s ILE 382 Cb -1.03 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 35.81 2bud s ILE 382 CO 0.50 0.16 0.18 -0.31 -1.23 0.00 0.00 174.94 174.24 2bud s TYR 383 N 1.49 3.58 -0.04 3.97 1.51 -0.76 -4.90 117.35 122.19 2bud s TYR 383 Ca 0.33 0.47 -0.16 0.00 -1.01 0.00 0.00 57.07 56.70 2bud s TYR 383 Cb -0.16 -1.91 -0.05 0.00 -0.11 0.00 0.00 41.96 39.73 2bud s TYR 383 CO 0.13 0.68 0.43 -0.06 -1.11 0.00 0.00 175.55 175.63 2bud s PHE 384 N -1.19 3.65 -0.12 2.71 0.40 -1.18 0.16 117.98 122.42 2bud s PHE 384 Ca 0.22 0.96 0.01 0.00 -0.60 0.00 0.00 56.93 57.52 2bud s PHE 384 Cb -0.12 -2.39 -0.01 0.00 0.51 0.00 0.00 43.02 41.01 2bud s PHE 384 CO 0.12 0.47 -0.17 0.42 0.70 0.00 0.00 175.22 176.76 2bud s ILE 385 N -0.45 2.69 -0.41 0.64 1.09 -0.40 -2.09 121.20 122.26 2bud s ILE 385 Ca 0.24 -0.79 -0.17 0.00 -1.10 0.00 0.00 60.65 58.84 2bud s ILE 385 Cb -0.16 -2.10 0.02 0.00 -1.06 0.00 0.00 42.46 39.15 2bud s ILE 385 CO 0.12 0.54 0.40 -0.60 -0.10 0.00 0.00 174.94 175.30 2bud s ARG 386 N 0.39 3.09 0.63 2.79 3.00 0.14 -0.80 118.95 128.19 2bud s ARG 386 Ca -0.13 -0.80 -0.12 0.00 -1.00 0.00 0.00 55.73 53.68 2bud s ARG 386 Cb -0.17 -3.96 -0.03 0.00 0.00 0.00 0.00 34.95 30.79 2bud s ARG 386 CO 0.06 -0.81 1.04 1.03 0.00 0.00 0.00 175.30 176.61 2bud s ARG 387 N 2.03 3.39 0.26 5.12 0.52 -1.08 -4.74 118.95 124.45 2bud s ARG 387 Ca 0.10 0.89 -0.01 0.00 -0.52 0.00 0.00 55.73 56.19 2bud s ARG 387 Cb -0.17 -2.05 0.50 0.00 0.52 0.00 0.00 34.95 33.74 2bud s ARG 387 CO 0.13 -0.74 1.81 0.93 0.02 0.00 0.00 175.30 177.45 2bud h GLU 388 N -0.23 0.80 0.00 3.54 5.08 -1.97 0.29 114.58 122.08 2bud h GLU 388 Ca -0.45 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2bud h GLU 388 Cb 1.20 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2bud h GLU 388 CO 0.60 0.53 0.00 -0.40 -1.00 0.00 0.00 179.01 178.73 2bud n ASP 389 N -4.73 0.01 -0.24 1.42 5.75 -1.26 -4.79 116.55 112.71 2bud n ASP 389 Ca 0.17 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.45 2bud n ASP 389 Cb 0.35 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 2bud n ASP 389 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bud n GLY 390 N -1.43 0.86 3.05 6.12 0.00 0.10 -5.06 105.19 108.83 2bud n GLY 390 Ca 0.00 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.49 2.03 0.16 2.61 -4.23 -1.23 -4.80 115.64 107.69 2bud s THR 391 Ca 0.00 -1.44 -0.30 0.00 -1.18 0.00 0.00 61.69 58.77 2bud s THR 391 Cb 0.00 -2.12 -0.07 0.00 1.34 0.00 0.00 72.50 71.65 2bud s THR 391 CO 0.00 0.05 1.18 -0.69 -0.54 0.00 0.00 174.62 174.62 2bud s VAL 392 N 1.19 3.71 -0.04 2.29 1.01 -1.26 -2.61 120.40 124.68 2bud s VAL 392 Ca -0.06 1.40 -0.03 0.00 0.00 0.00 0.00 61.98 63.29 2bud s VAL 392 Cb -0.19 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.32 2bud s VAL 392 CO -0.06 0.21 0.10 -1.00 0.00 0.00 0.00 175.10 174.34 2bud s HIS 393 N 0.12 -0.11 0.53 5.22 3.76 0.02 -4.14 115.29 120.69 2bud s HIS 393 Ca 0.53 0.31 -0.22 0.00 -0.15 0.00 0.00 55.06 55.54 2bud s HIS 393 Cb -0.31 -0.03 -0.06 0.00 1.11 0.00 0.00 32.58 33.28 2bud s HIS 393 CO 0.35 -0.09 1.16 0.54 -0.85 0.00 0.00 174.74 175.85 2bud n ARG 394 N 3.51 1.40 -3.64 1.40 1.74 -1.26 -1.28 116.66 118.52 2bud n ARG 394 Ca -0.18 0.52 -0.05 0.00 -0.77 0.00 0.00 57.85 57.36 2bud n ARG 394 Cb 0.56 -2.32 -0.07 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 -0.95 -0.36 -0.55 -0.13 0.00 0.12 -2.39 107.32 103.07 2bud s GLY 395 Ca 0.70 2.74 -0.23 0.00 0.00 0.00 0.00 44.72 47.94 2bud s GLY 395 CO 0.51 2.50 0.87 1.20 0.00 0.00 0.00 173.10 178.18 2bud s GLN 396 N 1.52 3.26 0.09 2.90 -0.21 -0.20 -1.82 119.66 125.20 2bud s GLN 396 Ca -0.10 -0.47 -0.31 0.00 0.02 0.00 0.00 55.36 54.50 2bud s GLN 396 Cb -0.04 -4.08 -0.07 0.00 1.00 0.00 0.00 33.01 29.81 2bud s GLN 396 CO -0.18 -1.46 1.32 0.54 -2.12 0.00 0.00 175.29 173.39 2bud s VAL 397 N 3.65 3.60 0.00 1.09 0.11 -1.26 -1.55 120.40 126.04 2bud s VAL 397 Ca 0.26 1.14 0.00 0.00 -2.93 0.00 0.00 61.98 60.45 2bud s VAL 397 Cb -0.15 -3.73 0.00 0.00 -1.53 0.00 0.00 36.38 30.97 2bud s VAL 397 CO 0.16 0.08 0.00 0.18 -3.33 0.00 0.00 175.10 172.20 2bud n LEU 398 N 4.01 1.23 -4.50 2.54 4.77 -0.28 -4.97 117.00 119.79 2bud n LEU 398 Ca 0.11 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.84 2bud n LEU 398 Cb 0.44 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 2bud n LEU 398 CO 0.57 0.21 -0.22 -1.10 -1.33 0.00 0.00 177.39 175.52 2bud s GLN 399 N -1.95 1.84 -0.15 3.23 -0.21 -1.24 -4.95 119.66 116.24 2bud s GLN 399 Ca 0.00 -2.10 -0.30 0.00 0.02 0.00 0.00 55.36 52.99 2bud s GLN 399 Cb 0.00 -0.71 0.11 0.00 1.00 0.00 0.00 33.01 33.41 2bud s GLN 399 CO 0.00 -0.39 0.92 -1.54 -2.12 0.00 0.00 175.29 172.17 2bud s SER 400 N -3.57 -0.45 -0.22 5.90 1.04 -1.26 0.57 113.70 115.70 2bud s SER 400 Ca 0.27 0.56 -0.16 0.00 0.48 0.00 0.00 55.95 57.10 2bud s SER 400 Cb 0.04 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.68 2bud s SER 400 CO 0.14 -0.38 0.56 0.00 0.98 0.00 0.00 173.24 174.54 2bud s ARG 401 N -0.93 0.60 0.00 4.02 1.70 0.45 -4.95 118.95 119.84 2bud s ARG 401 Ca -0.03 0.91 0.00 0.00 -0.47 0.00 0.00 55.73 56.14 2bud s ARG 401 Cb -0.01 0.18 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 2bud s ARG 401 CO 0.03 -0.12 0.00 0.25 -1.08 0.00 0.00 175.30 174.38 2bud n THR 402 N 3.60 0.00 -3.39 4.99 -2.24 -1.26 0.07 114.28 116.05 2bud n THR 402 Ca -0.18 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 2bud n THR 402 Cb 0.57 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.81 2bud n THR 402 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2bud n THR 403 N 0.00 0.00 -0.35 4.28 -1.04 -1.24 -4.44 114.28 111.48 2bud n THR 403 Ca 0.00 -0.31 0.27 0.00 -2.04 0.00 0.00 64.05 61.97 2bud n THR 403 Cb 0.00 0.33 0.52 0.00 -1.82 0.00 0.00 70.33 69.36 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 0.27 0.23 -2.82 4.39 -2.00 0.87 114.58 115.52 2bud h GLU 404 Ca -0.11 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2bud h GLU 404 Cb 0.45 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2bud h GLU 404 CO 0.15 0.18 -0.11 -0.97 -1.16 0.00 0.00 179.01 177.10 2bud h ASN 405 N 0.27 -0.26 -5.82 1.42 -0.73 -1.95 -3.48 115.58 105.03 2bud h ASN 405 Ca 0.74 -0.19 -0.30 0.00 1.87 0.00 0.00 56.30 58.42 2bud h ASN 405 Cb 1.85 0.07 0.11 0.00 0.27 0.00 0.00 38.32 40.62 2bud h ASN 405 CO -0.54 0.06 -0.78 0.00 -0.37 0.00 0.00 177.43 175.79 2bud n ALA 406 N -2.38 -2.54 -1.49 1.57 0.00 0.30 -4.88 120.51 111.09 2bud n ALA 406 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2bud n ALA 406 Cb 0.23 -4.24 0.00 0.00 0.00 0.00 0.00 19.45 15.43 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 -3.37 0.21 0.00 0.00 0.00 -1.26 -4.86 120.51 111.23 2bud n ALA 407 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2bud n ALA 407 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 0.00 -1.77 0.00 0.00 -1.26 -4.96 120.51 112.52 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 0.24 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.70 2bud n ALA 408 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2bud s PRO 409 N -2.00 3.71 -0.30 0.00 0.02 -1.26 -5.01 135.00 130.16 2bud s PRO 409 Ca 0.00 2.35 -0.18 0.00 0.02 0.00 0.00 61.00 63.20 2bud s PRO 409 Cb 0.00 -2.65 0.22 0.00 0.02 0.00 0.00 34.50 32.08 2bud s PRO 409 CO 0.00 -0.77 1.33 0.16 -0.33 0.00 0.00 177.00 177.39 2bud s ASP 410 N -0.58 -0.01 -0.11 2.53 1.47 -1.26 -3.73 116.67 114.99 2bud s ASP 410 Ca 0.61 0.01 -0.01 0.00 1.18 0.00 0.00 52.55 54.34 2bud s ASP 410 Cb -0.42 0.81 -0.03 0.00 -0.34 0.00 0.00 42.92 42.94 2bud s ASP 410 CO 0.54 -0.00 -0.05 -1.61 0.68 0.00 0.00 175.17 174.73 2bud s GLU 411 N 0.81 3.16 -0.18 2.11 8.01 0.11 -3.57 118.70 129.16 2bud s GLU 411 Ca -0.05 -0.52 -0.04 0.00 0.01 0.00 0.00 54.97 54.37 2bud s GLU 411 Cb -0.03 -2.75 -0.02 0.00 -4.31 0.00 0.00 34.13 27.02 2bud s GLU 411 CO -0.11 0.50 -0.02 0.71 0.01 0.00 0.00 175.26 176.35 2bud s TYR 412 N -0.34 3.01 0.29 1.61 1.51 -0.71 -0.41 117.35 122.31 2bud s TYR 412 Ca 0.05 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 2bud s TYR 412 Cb -0.12 -2.03 -0.11 0.00 -0.11 0.00 0.00 41.96 39.59 2bud s TYR 412 CO 0.02 -0.19 1.52 -0.47 -1.11 0.00 0.00 175.55 175.32 2bud s TYR 413 N 0.78 2.84 -0.00 2.71 5.04 0.19 -2.19 117.35 126.72 2bud s TYR 413 Ca -0.01 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 55.55 2bud s TYR 413 Cb -0.14 -3.96 0.01 0.00 0.35 0.00 0.00 41.96 38.21 2bud s TYR 413 CO 0.02 -3.14 0.01 0.54 -1.34 0.00 0.00 175.55 171.63 2bud s VAL 414 N -0.17 -0.01 -0.48 3.14 0.11 -0.26 -1.13 120.40 121.60 2bud s VAL 414 Ca 0.60 0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 59.66 2bud s VAL 414 Cb -0.45 -0.03 0.13 0.00 -1.53 0.00 0.00 36.38 34.49 2bud s VAL 414 CO 0.48 0.02 0.29 -2.28 -3.33 0.00 0.00 175.10 170.28 2bud s HIS 415 N 0.25 3.53 0.12 1.54 2.46 -0.60 -2.34 115.29 120.24 2bud s HIS 415 Ca -0.02 -2.44 -0.33 0.00 0.47 0.00 0.00 55.06 52.74 2bud s HIS 415 Cb -0.03 -3.25 -0.12 0.00 -0.13 0.00 0.00 32.58 29.04 2bud s HIS 415 CO -0.01 -0.94 1.72 0.66 -2.47 0.00 0.00 174.74 173.70 2bud n TYR 416 N 4.33 2.45 -2.31 3.88 4.02 -1.26 -1.03 117.16 127.23 2bud n TYR 416 Ca -0.00 0.08 -0.42 0.00 -0.01 0.00 0.00 57.90 57.55 2bud n TYR 416 Cb 0.40 -2.63 -0.03 0.00 -0.02 0.00 0.00 39.34 37.06 2bud n TYR 416 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2bud s VAL 417 N 1.94 3.74 0.00 -0.72 1.01 -1.00 -3.55 120.40 121.82 2bud s VAL 417 Ca 0.81 1.23 0.00 0.00 0.00 0.00 0.00 61.98 64.03 2bud s VAL 417 Cb -0.60 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2bud s VAL 417 CO 0.39 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2bud n GLY 418 N 3.37 1.02 3.69 4.51 0.00 -1.26 -4.84 105.19 111.68 2bud n GLY 418 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2bud n GLY 418 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bud n LEU 419 N 0.00 4.55 -4.61 0.99 4.32 -1.23 -4.89 117.00 116.12 2bud n LEU 419 Ca 0.00 0.60 -0.44 0.00 -0.02 0.00 0.00 56.01 56.16 2bud n LEU 419 Cb 0.00 -1.51 -0.01 0.00 -1.62 0.00 0.00 43.42 40.28 2bud n LEU 419 CO 0.00 -1.64 0.62 -3.20 -1.22 0.00 0.00 177.39 171.95 2bud n ASN 420 N -3.18 1.50 -0.18 -1.43 2.85 -1.26 -4.84 115.26 108.72 2bud n ASN 420 Ca 0.14 1.16 -0.02 0.00 -0.11 0.00 0.00 54.58 55.75 2bud n ASN 420 Cb 0.50 -1.33 0.20 0.00 1.24 0.00 0.00 39.78 40.40 2bud n ASN 420 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 2bud h ARG 421 N 2.00 0.92 -0.98 1.20 0.11 -1.90 -2.21 114.38 113.53 2bud h ARG 421 Ca -0.41 -0.13 0.10 0.00 0.10 0.00 0.00 59.98 59.63 2bud h ARG 421 Cb 1.33 -0.17 -0.08 0.00 1.11 0.00 0.00 29.97 32.17 2bud h ARG 421 CO 0.60 0.73 0.62 -0.09 0.10 0.00 0.00 179.97 181.93 2bud h ARG 422 N 0.91 1.00 -0.47 0.08 2.43 -2.01 -0.24 114.38 116.09 2bud h ARG 422 Ca 0.22 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2bud h ARG 422 Cb 0.13 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2bud h ARG 422 CO -0.02 0.66 0.16 -0.07 -1.51 0.00 0.00 179.97 179.19 2bud h LEU 423 N 1.03 0.62 -9.85 3.80 3.38 -1.76 -3.43 115.31 109.11 2bud h LEU 423 Ca 0.46 -0.08 -0.53 0.00 0.09 0.00 0.00 57.88 57.82 2bud h LEU 423 Cb 0.35 -0.16 0.07 0.00 0.09 0.00 0.00 40.66 41.02 2bud h LEU 423 CO -0.23 0.58 0.71 -1.81 0.09 0.00 0.00 178.44 177.79 2bud s ASP 424 N -6.63 6.64 0.00 -0.43 1.11 -0.10 -4.93 116.67 112.32 2bud s ASP 424 Ca -0.09 2.76 0.00 0.00 0.18 0.00 0.00 52.55 55.40 2bud s ASP 424 Cb 0.16 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.51 2bud s ASP 424 CO 0.77 -0.67 0.00 0.61 1.18 0.00 0.00 175.17 177.06 2bud n GLY 425 N 1.25 1.18 3.76 0.21 0.00 -0.99 -5.00 105.19 105.60 2bud n GLY 425 Ca 0.03 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.14 3.84 -0.01 1.61 0.52 -1.26 -1.11 118.94 121.39 2bud s TRP 426 Ca 0.00 1.63 0.05 0.00 0.02 0.00 0.00 56.10 57.80 2bud s TRP 426 Cb 0.00 -2.85 -0.01 0.00 -1.15 0.00 0.00 33.47 29.46 2bud s TRP 426 CO 0.00 0.38 -0.17 0.54 0.02 0.00 0.00 176.95 177.72 2bud s VAL 427 N -0.59 1.31 0.53 4.03 0.11 -0.93 -4.94 120.40 119.91 2bud s VAL 427 Ca 0.39 -0.71 -0.21 0.00 -2.93 0.00 0.00 61.98 58.52 2bud s VAL 427 Cb -0.23 -1.09 -0.05 0.00 -1.53 0.00 0.00 36.38 33.48 2bud s VAL 427 CO 0.26 0.37 1.25 -0.83 -3.33 0.00 0.00 175.10 172.83 2bud s GLY 428 N -0.37 2.81 0.31 6.54 0.00 -1.26 -1.75 107.32 113.61 2bud s GLY 428 Ca 0.06 1.11 0.06 0.00 0.00 0.00 0.00 44.72 45.95 2bud s GLY 428 CO -0.01 1.58 1.81 -0.09 0.00 0.00 0.00 173.10 176.39 2bud h ARG 429 N 1.49 0.78 0.00 2.90 9.65 -1.93 0.06 114.38 127.33 2bud h ARG 429 Ca -0.50 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.29 2bud h ARG 429 Cb 1.28 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 2bud h ARG 429 CO 0.58 0.52 -0.18 1.12 2.80 0.00 0.00 179.97 184.80 2bud h HIS 430 N 0.80 0.00 0.00 2.20 2.07 -1.91 -2.82 115.15 115.50 2bud h HIS 430 Ca 0.53 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.86 2bud h HIS 430 Cb 0.77 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.72 2bud h HIS 430 CO -0.00 0.18 -0.93 0.00 -3.07 0.00 0.00 177.93 174.11 2bud h ARG 431 N 0.00 0.00 -6.32 5.12 3.08 -1.28 -3.45 114.38 111.54 2bud h ARG 431 Ca -0.00 -0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2bud h ARG 431 Cb 0.36 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 2bud h ARG 431 CO 0.02 0.93 0.03 0.42 -1.07 0.00 0.00 179.97 180.30 2bud s ILE 432 N -2.88 4.63 -0.27 2.04 1.01 -1.07 -0.68 121.20 123.98 2bud s ILE 432 Ca 0.01 1.36 -0.24 0.00 0.00 0.00 0.00 60.65 61.77 2bud s ILE 432 Cb 0.10 -3.97 0.08 0.00 0.01 0.00 0.00 42.46 38.69 2bud s ILE 432 CO 0.81 0.55 0.78 -0.44 0.00 0.00 0.00 174.94 176.63 2bud s SER 433 N -1.12 -0.70 0.00 3.58 0.01 -0.89 -4.95 113.70 109.63 2bud s SER 433 Ca 0.31 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.91 2bud s SER 433 Cb -0.21 1.35 0.00 0.00 0.21 0.00 0.00 66.02 67.38 2bud s SER 433 CO 0.21 -0.23 0.49 -0.90 0.41 0.00 0.00 173.24 173.22 2bud n ASP 434 N 2.69 0.48 -3.64 2.44 5.75 -1.26 -3.12 116.55 119.90 2bud n ASP 434 Ca -0.14 -1.47 -0.11 0.00 -0.01 0.00 0.00 54.79 53.06 2bud n ASP 434 Cb 0.55 -0.24 -0.07 0.00 -1.03 0.00 0.00 41.12 40.33 2bud n ASP 434 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bud s ASN 435 N -0.61 -0.81 0.37 -1.12 4.22 -1.26 -4.96 114.94 110.77 2bud s ASN 435 Ca 0.00 1.45 0.09 0.00 -2.14 0.00 0.00 52.86 52.26 2bud s ASN 435 Cb 0.00 1.41 0.72 0.00 1.28 0.00 0.00 41.25 44.66 2bud s ASN 435 CO 0.00 -0.24 1.87 0.00 -2.04 0.00 0.00 177.10 176.68 2bud h ALA 436 N 5.75 1.42 -0.95 3.54 0.00 -1.86 -2.98 119.26 124.18 2bud h ALA 436 Ca -0.29 -0.26 0.21 0.00 0.00 0.00 0.00 54.91 54.57 2bud h ALA 436 Cb 1.19 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 2bud h ALA 436 CO 0.10 0.41 0.52 -0.44 0.00 0.00 0.00 179.25 179.84 2bud h ASP 437 N 0.19 0.59 -1.17 0.00 3.32 -1.96 0.15 116.42 117.54 2bud h ASP 437 Ca 0.03 0.13 -0.64 0.00 0.02 0.00 0.00 57.03 56.57 2bud h ASP 437 Cb 0.49 0.04 -0.26 0.00 0.22 0.00 0.00 39.33 39.82 2bud h ASP 437 CO 0.03 0.12 0.83 0.47 -1.72 0.00 0.00 179.24 178.98 2bud n ASP 438 N -4.90 7.43 0.00 6.45 9.92 -1.13 -4.64 116.55 129.68 2bud n ASP 438 Ca 0.24 -3.67 0.00 0.00 -0.53 0.00 0.00 54.79 50.83 2bud n ASP 438 Cb 0.65 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 2bud n ASP 438 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2bud n LEU 439 N -0.54 0.00 -1.96 0.64 4.77 0.48 -4.87 117.00 115.52 2bud n LEU 439 Ca 0.56 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.52 2bud n LEU 439 Cb 0.54 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.67 2bud n LEU 439 CO 0.64 0.00 0.40 0.61 -1.33 0.00 0.00 177.39 177.71 2bud n GLY 440 N -0.03 -0.10 7.00 -0.72 0.00 -0.84 -4.99 105.19 105.51 2bud n GLY 440 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.48 2.92 2.88 -0.02 0.00 -1.08 -3.53 105.19 105.87 2bud n GLY 441 Ca -0.08 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 2bud n GLY 441 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bud n ILE 442 N 0.00 3.03 -4.03 -0.61 2.08 -1.26 -4.59 119.36 113.98 2bud n ILE 442 Ca 0.00 -5.55 -0.29 0.00 0.56 0.00 0.00 62.75 57.47 2bud n ILE 442 Cb 0.00 -1.49 -0.02 0.00 -0.75 0.00 0.00 39.64 37.39 2bud n ILE 442 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2bud n THR 443 N -0.12 -2.31 -1.84 1.39 -1.04 -1.23 -4.85 114.28 104.29 2bud n THR 443 Ca 0.31 -0.28 -0.36 0.00 -2.04 0.00 0.00 64.05 61.68 2bud n THR 443 Cb 0.39 -2.38 0.00 0.00 -1.82 0.00 0.00 70.33 66.52 2bud n THR 443 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2bud n VAL 444 N -4.43 3.83 -2.90 12.58 0.31 -1.26 -4.98 118.33 121.48 2bud n VAL 444 Ca -0.14 -4.00 -0.40 0.00 -0.01 0.00 0.00 64.34 59.79 2bud n VAL 444 Cb 0.60 -1.44 -0.05 0.00 -0.91 0.00 0.00 33.84 32.04 2bud n VAL 444 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2bud s LEU 445 N -3.33 4.48 0.24 7.52 1.02 -1.26 -5.03 118.68 122.32 2bud s LEU 445 Ca 0.53 1.58 -0.30 0.00 0.02 0.00 0.00 54.13 55.97 2bud s LEU 445 Cb 0.38 -3.35 -0.09 0.00 0.02 0.00 0.00 46.19 43.15 2bud s LEU 445 CO -0.31 0.01 1.19 -2.16 0.02 0.00 0.00 176.35 175.10 2bud s PRO 446 N -0.17 4.51 -0.30 1.29 0.04 -1.26 -5.03 135.00 134.09 2bud s PRO 446 Ca 0.41 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 63.21 2bud s PRO 446 Cb -0.22 -3.20 0.16 0.00 0.04 0.00 0.00 34.50 31.29 2bud s PRO 446 CO 0.26 -0.01 0.99 0.00 0.04 0.00 0.00 177.00 178.28 2bud s ALA 447 N -0.57 -2.55 0.11 8.56 0.00 -1.26 -5.15 121.76 120.90 2bud s ALA 447 Ca 0.50 2.10 -0.31 0.00 0.00 0.00 0.00 51.96 54.25 2bud s ALA 447 Cb -0.34 -1.93 -0.08 0.00 0.00 0.00 0.00 23.12 20.77 2bud s ALA 447 CO 0.41 -0.71 1.46 -2.14 0.00 0.00 0.00 175.76 174.77 2bud s PRO 448 N 2.00 4.28 -0.03 0.00 0.02 -1.26 -4.90 135.00 135.10 2bud s PRO 448 Ca -0.05 2.16 -0.06 0.00 0.02 0.00 0.00 61.00 63.07 2bud s PRO 448 Cb -0.05 -3.29 -0.26 0.00 0.02 0.00 0.00 34.50 30.92 2bud s PRO 448 CO -0.16 -0.52 3.55 -0.35 -0.33 0.00 0.00 177.00 179.18 2bud n PRO 449 N 4.24 1.98 -3.64 5.54 -0.04 -1.26 -4.74 135.00 137.08 2bud n PRO 449 Ca 0.13 -1.00 -0.06 0.00 -0.04 0.00 0.00 63.50 62.53 2bud n PRO 449 Cb 0.41 -2.00 -0.07 0.00 -0.04 0.00 0.00 33.50 31.80 2bud n PRO 449 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2bud s LEU 450 N 0.00 -0.37 0.31 1.53 2.34 -1.26 -5.15 118.68 116.09 2bud s LEU 450 Ca 0.66 0.67 -0.29 0.00 0.06 0.00 0.00 54.13 55.22 2bud s LEU 450 Cb 0.31 1.66 -0.10 0.00 -0.56 0.00 0.00 46.19 47.49 2bud s LEU 450 CO -0.00 -0.11 1.42 0.00 -1.06 0.00 0.00 176.35 176.60 2bud s ALA 451 N 0.48 3.58 0.35 1.48 0.00 -1.26 -4.95 121.76 121.43 2bud s ALA 451 Ca 0.01 1.38 -0.28 0.00 0.00 0.00 0.00 51.96 53.07 2bud s ALA 451 Cb -0.05 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 2bud s ALA 451 CO -0.10 -0.80 1.43 -1.25 0.00 0.00 0.00 175.76 175.04 2bud s PRO 452 N -1.27 4.20 -0.29 0.00 0.04 -1.26 -5.02 135.00 131.40 2bud s PRO 452 Ca 0.55 2.44 -0.23 0.00 0.04 0.00 0.00 61.00 63.80 2bud s PRO 452 Cb -0.43 -3.01 0.14 0.00 0.04 0.00 0.00 34.50 31.24 2bud s PRO 452 CO 0.52 -0.42 1.10 0.16 0.04 0.00 0.00 177.00 178.40 2bud s ASP 453 N -0.19 -0.37 0.00 6.66 -4.77 -1.26 -5.32 116.67 111.42 2bud s ASP 453 Ca 0.52 0.68 0.04 0.00 -3.30 0.00 0.00 52.55 50.50 2bud s ASP 453 Cb -0.44 0.82 0.26 0.00 -1.09 0.00 0.00 42.92 42.47 2bud s ASP 453 CO 0.58 -0.12 0.73 0.00 0.70 0.00 0.00 175.17 177.07