#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bud h SER 364 N 0.00 1.02 -4.07 1.61 0.87 -2.08 -3.49 113.55 107.41 2bud h SER 364 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2bud h SER 364 Cb 0.00 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 2bud h SER 364 CO 0.00 0.82 -0.72 1.57 -0.53 0.00 0.00 176.83 177.98 2bud n HIS 365 N -4.40 -3.48 -3.61 2.24 -0.00 -1.26 -5.08 115.22 99.63 2bud n HIS 365 Ca 0.08 1.85 -0.03 0.00 0.46 0.00 0.00 57.72 60.08 2bud n HIS 365 Cb 0.10 -3.00 -0.06 0.00 -0.12 0.00 0.00 29.99 26.90 2bud n HIS 365 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 2bud s MET 366 N -4.11 0.47 0.20 1.57 0.00 -1.26 -5.04 119.30 111.13 2bud s MET 366 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 55.69 56.56 2bud s MET 366 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 34.83 35.02 2bud s MET 366 CO 0.00 -0.11 0.00 -0.25 0.00 0.00 0.00 175.02 174.66 2bud n ASP 367 N 4.14 -9.19 -1.62 1.11 9.92 -1.26 -3.39 116.55 116.26 2bud n ASP 367 Ca -0.17 1.46 -0.03 0.00 -0.53 0.00 0.00 54.79 55.53 2bud n ASP 367 Cb 0.57 -5.21 -0.04 0.00 -0.64 0.00 0.00 41.12 35.80 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 1.99 1.19 0.00 -0.24 -0.04 -1.26 -3.30 135.00 133.33 2bud n PRO 368 Ca 0.00 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2bud n PRO 368 Cb 0.00 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 1.73 0.00 -3.16 1.53 -0.00 -1.26 -5.02 117.00 110.81 2bud n LEU 369 Ca 0.09 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.89 2bud n LEU 369 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.95 2bud n LEU 369 CO 0.03 0.00 -0.16 0.80 -0.00 0.00 0.00 177.39 178.06 2bud n MET 370 N -0.15 1.43 -1.76 1.47 0.00 -1.21 -5.11 117.12 111.80 2bud n MET 370 Ca 0.00 -3.70 -0.41 0.00 0.00 0.00 0.00 57.70 53.58 2bud n MET 370 Cb 0.00 -1.74 -0.01 0.00 0.00 0.00 0.00 33.22 31.48 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 0.47 2.69 -1.61 2.12 6.02 -1.22 -4.70 117.38 121.15 2bud n GLN 371 Ca 0.26 0.95 -0.50 0.00 -0.01 0.00 0.00 57.00 57.69 2bud n GLN 371 Cb 0.57 -2.71 -0.05 0.00 1.02 0.00 0.00 30.24 29.06 2bud n GLN 371 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2bud n LYS 372 N 1.38 1.38 -2.11 -1.09 2.85 -1.26 -4.88 118.16 114.43 2bud n LYS 372 Ca 0.05 0.50 -0.42 0.00 -1.05 0.00 0.00 58.31 57.39 2bud n LYS 372 Cb 0.38 -2.16 -0.03 0.00 -0.65 0.00 0.00 35.03 32.56 2bud n LYS 372 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2bud s ILE 373 N 0.54 3.24 -0.13 0.58 1.01 -1.26 -5.00 121.20 120.17 2bud s ILE 373 Ca 0.83 0.83 -0.16 0.00 0.00 0.00 0.00 60.65 62.14 2bud s ILE 373 Cb -0.89 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 2bud s ILE 373 CO 0.45 0.04 0.39 -0.62 0.00 0.00 0.00 174.94 175.20 2bud s ASP 374 N 1.43 6.57 -0.10 3.58 -1.08 -1.26 -4.99 116.67 120.82 2bud s ASP 374 Ca 0.67 0.68 -0.10 0.00 -0.52 0.00 0.00 52.55 53.27 2bud s ASP 374 Cb -0.37 -2.24 -0.27 0.00 -1.46 0.00 0.00 42.92 38.58 2bud s ASP 374 CO 0.30 0.06 0.47 0.40 0.52 0.00 0.00 175.17 176.92 2bud h ILE 375 N 4.65 0.79 -0.80 4.11 5.03 -1.93 -3.36 117.51 126.00 2bud h ILE 375 Ca -0.42 -2.38 0.23 0.00 -0.12 0.00 0.00 64.86 62.17 2bud h ILE 375 Cb 1.17 2.59 -0.03 0.00 -3.03 0.00 0.00 36.82 37.52 2bud h ILE 375 CO 0.75 0.82 0.80 0.77 -0.68 0.00 0.00 178.15 180.61 2bud h SER 376 N -0.05 0.00 -0.46 1.72 4.64 -1.94 0.26 113.55 117.72 2bud h SER 376 Ca -0.38 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.82 2bud h SER 376 Cb 1.96 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.04 2bud h SER 376 CO 0.09 0.00 -0.16 1.05 -0.87 0.00 0.00 176.83 176.94 2bud h GLU 377 N 0.00 0.96 -0.81 4.77 4.11 -2.01 -3.39 114.58 118.21 2bud h GLU 377 Ca 0.38 -0.37 -0.35 0.00 0.07 0.00 0.00 59.36 59.09 2bud h GLU 377 Cb 1.98 -0.05 -0.24 0.00 0.50 0.00 0.00 28.75 30.94 2bud h GLU 377 CO -0.00 1.04 -0.74 0.09 0.07 0.00 0.00 179.01 179.46 2bud n ASN 378 N -4.13 -1.50 -0.33 3.06 5.03 0.80 -5.00 115.26 113.19 2bud n ASN 378 Ca 0.01 -3.16 0.10 0.00 0.87 0.00 0.00 54.58 52.40 2bud n ASN 378 Cb 0.42 0.85 0.28 0.00 -1.02 0.00 0.00 39.78 40.31 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 3.73 0.69 -0.47 3.52 0.11 -1.47 -0.94 132.00 137.17 2bud h PRO 379 Ca -0.05 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.91 2bud h PRO 379 Cb 0.99 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 2bud h PRO 379 CO 0.36 0.46 -0.13 -0.44 -0.21 0.00 0.00 178.00 178.04 2bud h ASP 380 N 0.71 0.87 -1.70 -2.05 5.19 -1.94 -3.45 116.42 114.06 2bud h ASP 380 Ca 0.53 -0.28 -0.69 0.00 -0.62 0.00 0.00 57.03 55.97 2bud h ASP 380 Cb 0.78 -0.24 0.04 0.00 0.18 0.00 0.00 39.33 40.10 2bud h ASP 380 CO -0.37 1.01 0.62 1.17 -3.12 0.00 0.00 179.24 178.54 2bud n LYS 381 N -4.15 1.26 -3.01 3.56 4.81 -0.36 -4.91 118.16 115.36 2bud n LYS 381 Ca 0.01 0.46 -0.40 0.00 -0.87 0.00 0.00 58.31 57.51 2bud n LYS 381 Cb 0.39 -2.13 -0.05 0.00 0.02 0.00 0.00 35.03 33.27 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 1.43 4.99 -0.02 3.15 -1.09 -1.26 -4.74 121.20 123.65 2bud s ILE 382 Ca 0.88 1.46 -0.01 0.00 -2.23 0.00 0.00 60.65 60.75 2bud s ILE 382 Cb -0.95 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 35.83 2bud s ILE 382 CO 0.51 0.15 0.06 -0.31 -1.23 0.00 0.00 174.94 174.12 2bud s TYR 383 N 1.45 3.25 0.02 3.97 1.51 -0.90 -4.91 117.35 121.74 2bud s TYR 383 Ca 0.36 0.20 -0.19 0.00 -1.01 0.00 0.00 57.07 56.43 2bud s TYR 383 Cb -0.17 -1.74 -0.06 0.00 -0.11 0.00 0.00 41.96 39.88 2bud s TYR 383 CO 0.15 0.53 0.55 -0.06 -1.11 0.00 0.00 175.55 175.61 2bud s PHE 384 N -1.12 3.73 -0.12 2.71 0.40 -1.10 0.57 117.98 123.05 2bud s PHE 384 Ca 0.20 1.18 0.02 0.00 -0.60 0.00 0.00 56.93 57.73 2bud s PHE 384 Cb -0.12 -2.51 0.01 0.00 0.51 0.00 0.00 43.02 40.91 2bud s PHE 384 CO 0.11 0.48 -0.18 0.42 0.70 0.00 0.00 175.22 176.74 2bud s ILE 385 N -0.62 1.75 -0.31 0.64 1.09 0.17 -1.41 121.20 122.51 2bud s ILE 385 Ca 0.29 -0.80 -0.26 0.00 -1.10 0.00 0.00 60.65 58.78 2bud s ILE 385 Cb -0.18 -1.57 0.01 0.00 -1.06 0.00 0.00 42.46 39.66 2bud s ILE 385 CO 0.17 0.49 0.91 -0.60 -0.10 0.00 0.00 174.94 175.81 2bud s ARG 386 N 0.88 4.00 0.84 2.79 3.52 -0.09 -0.94 118.95 129.95 2bud s ARG 386 Ca -0.08 0.79 -0.11 0.00 -0.13 0.00 0.00 55.73 56.20 2bud s ARG 386 Cb -0.15 -3.73 0.09 0.00 -1.56 0.00 0.00 34.95 29.60 2bud s ARG 386 CO -0.01 -0.77 1.09 1.03 -0.81 0.00 0.00 175.30 175.83 2bud s ARG 387 N 3.24 1.73 0.32 5.12 0.52 -1.09 -4.77 118.95 124.01 2bud s ARG 387 Ca 0.38 0.83 0.09 0.00 -0.52 0.00 0.00 55.73 56.50 2bud s ARG 387 Cb -0.13 -1.86 0.84 0.00 0.52 0.00 0.00 34.95 34.31 2bud s ARG 387 CO 0.14 -1.92 1.75 1.05 0.02 0.00 0.00 175.30 176.34 2bud h GLU 388 N -1.31 0.63 -0.32 3.54 9.09 -1.96 0.25 114.58 124.50 2bud h GLU 388 Ca -0.48 -0.04 -0.08 0.00 0.05 0.00 0.00 59.36 58.82 2bud h GLU 388 Cb 1.27 -0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 28.21 2bud h GLU 388 CO 0.56 0.42 -0.13 0.38 0.05 0.00 0.00 179.01 180.29 2bud h ASP 389 N 0.65 0.54 0.00 3.06 2.03 -2.03 -3.47 116.42 117.20 2bud h ASP 389 Ca 0.61 -0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.77 2bud h ASP 389 Cb 1.10 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.45 2bud h ASP 389 CO -0.42 0.70 0.00 0.61 -1.03 0.00 0.00 179.24 179.10 2bud n GLY 390 N -0.58 1.31 3.61 7.15 0.00 0.87 -5.09 105.19 112.47 2bud n GLY 390 Ca 0.01 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 2bud n GLY 390 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bud n THR 391 N 0.00 0.46 -2.32 2.61 -2.24 -1.26 -4.42 114.28 107.10 2bud n THR 391 Ca 0.00 -0.36 -0.40 0.00 -2.27 0.00 0.00 64.05 61.03 2bud n THR 391 Cb 0.00 -2.44 -0.03 0.00 -2.10 0.00 0.00 70.33 65.76 2bud n THR 391 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2bud s VAL 392 N 7.11 3.18 -0.13 2.28 1.01 -1.11 -2.66 120.40 130.08 2bud s VAL 392 Ca 0.98 1.12 -0.09 0.00 0.00 0.00 0.00 61.98 63.99 2bud s VAL 392 Cb -0.40 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.34 2bud s VAL 392 CO 0.38 0.22 0.32 -1.00 0.00 0.00 0.00 175.10 175.02 2bud s HIS 393 N -1.24 -0.41 0.71 5.22 3.76 -0.11 -2.54 115.29 120.68 2bud s HIS 393 Ca 0.50 0.95 -0.16 0.00 -0.15 0.00 0.00 55.06 56.19 2bud s HIS 393 Cb -0.34 0.14 -0.02 0.00 1.11 0.00 0.00 32.58 33.47 2bud s HIS 393 CO 0.43 -0.23 0.80 0.54 -0.85 0.00 0.00 174.74 175.43 2bud n ARG 394 N 3.61 0.46 -3.64 1.40 1.74 -1.26 -0.66 116.66 118.31 2bud n ARG 394 Ca -0.19 0.21 -0.06 0.00 -0.77 0.00 0.00 57.85 57.04 2bud n ARG 394 Cb 0.56 -2.06 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 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 -1.54 -0.08 -0.45 -0.13 0.00 0.19 -3.64 107.32 101.68 2bud s GLY 395 Ca 0.71 2.90 -0.24 0.00 0.00 0.00 0.00 44.72 48.09 2bud s GLY 395 CO 0.53 2.16 0.84 1.20 0.00 0.00 0.00 173.10 177.83 2bud s GLN 396 N 0.71 3.48 -0.02 2.90 -0.21 -0.45 -2.12 119.66 123.95 2bud s GLN 396 Ca -0.02 0.03 -0.30 0.00 0.02 0.00 0.00 55.36 55.09 2bud s GLN 396 Cb -0.04 -3.92 -0.03 0.00 1.00 0.00 0.00 33.01 30.01 2bud s GLN 396 CO -0.11 -1.14 1.07 0.08 -2.12 0.00 0.00 175.29 173.08 2bud s VAL 397 N 3.46 4.56 0.00 1.09 1.01 -1.26 -1.75 120.40 127.52 2bud s VAL 397 Ca 0.33 1.84 0.00 0.00 0.00 0.00 0.00 61.98 64.15 2bud s VAL 397 Cb -0.11 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2bud s VAL 397 CO 0.24 0.08 0.00 0.18 0.00 0.00 0.00 175.10 175.60 2bud n LEU 398 N 4.41 2.36 -4.40 3.92 4.77 -1.07 -4.92 117.00 122.07 2bud n LEU 398 Ca 0.08 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.85 2bud n LEU 398 Cb 0.49 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 2bud n LEU 398 CO 0.53 0.39 -0.18 -1.10 -1.33 0.00 0.00 177.39 175.70 2bud s GLN 399 N -1.95 1.76 -0.12 3.23 -0.21 -1.26 -4.96 119.66 116.15 2bud s GLN 399 Ca 0.00 -2.04 -0.30 0.00 0.02 0.00 0.00 55.36 53.05 2bud s GLN 399 Cb 0.00 -0.25 0.08 0.00 1.00 0.00 0.00 33.01 33.84 2bud s GLN 399 CO 0.00 -0.49 0.77 -1.54 -2.12 0.00 0.00 175.29 171.91 2bud s SER 400 N -3.47 -0.60 -0.27 5.90 1.04 -1.26 0.32 113.70 115.35 2bud s SER 400 Ca 0.32 0.77 -0.24 0.00 0.48 0.00 0.00 55.95 57.28 2bud s SER 400 Cb 0.04 0.65 0.08 0.00 0.10 0.00 0.00 66.02 66.88 2bud s SER 400 CO 0.18 -0.48 0.77 0.00 0.98 0.00 0.00 173.24 174.69 2bud s ARG 401 N -0.87 0.77 0.00 4.02 1.70 0.51 -4.95 118.95 120.13 2bud s ARG 401 Ca -0.07 0.94 0.00 0.00 -0.47 0.00 0.00 55.73 56.14 2bud s ARG 401 Cb -0.01 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 2bud s ARG 401 CO 0.06 -0.10 0.00 0.25 -1.08 0.00 0.00 175.30 174.44 2bud n THR 402 N 2.74 0.00 -3.44 4.99 -2.24 -1.26 -0.21 114.28 114.86 2bud n THR 402 Ca -0.14 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.62 2bud n THR 402 Cb 0.55 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.30 4.28 -1.04 -1.26 -4.44 114.28 111.52 2bud n THR 403 Ca 0.00 -0.28 0.14 0.00 -2.04 0.00 0.00 64.05 61.87 2bud n THR 403 Cb 0.00 0.31 0.30 0.00 -1.82 0.00 0.00 70.33 69.13 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 0.25 0.16 -2.82 5.08 -1.99 -0.99 114.58 114.28 2bud h GLU 404 Ca -0.11 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2bud h GLU 404 Cb 0.43 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2bud h GLU 404 CO 0.14 0.17 -0.08 -0.97 -1.00 0.00 0.00 179.01 177.27 2bud h ASN 405 N 0.26 -0.19 -6.02 1.42 -1.24 -1.98 -3.48 115.58 104.36 2bud h ASN 405 Ca 0.56 -0.28 -0.39 0.00 0.71 0.00 0.00 56.30 56.90 2bud h ASN 405 Cb 1.13 0.05 0.09 0.00 0.73 0.00 0.00 38.32 40.32 2bud h ASN 405 CO -0.62 0.20 -0.87 0.00 -1.29 0.00 0.00 177.43 174.86 2bud n ALA 406 N -2.40 -2.24 -1.49 1.57 0.00 -0.38 -4.87 120.51 110.70 2bud n ALA 406 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2bud n ALA 406 Cb 0.24 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.52 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 -4.07 1.06 0.00 0.00 0.00 -1.26 -4.96 120.51 111.28 2bud n ALA 407 Ca -0.21 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2bud n ALA 407 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.69 0.00 0.00 -1.26 -5.15 120.51 112.41 2bud n ALA 408 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2bud n ALA 408 Cb 0.51 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.67 1.43 -3.64 0.00 -0.02 -1.26 -5.02 135.00 124.81 2bud n PRO 409 Ca 0.00 0.53 -0.04 0.00 -2.02 0.00 0.00 63.50 61.97 2bud n PRO 409 Cb 0.00 -2.39 -0.07 0.00 -0.02 0.00 0.00 33.50 31.02 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 -0.98 -0.22 -0.02 2.55 1.47 -1.26 -4.18 116.67 114.03 2bud s ASP 410 Ca 0.72 0.41 0.01 0.00 1.18 0.00 0.00 52.55 54.87 2bud s ASP 410 Cb -0.44 0.55 0.01 0.00 -0.34 0.00 0.00 42.92 42.70 2bud s ASP 410 CO 0.50 -0.07 -0.02 -1.61 0.68 0.00 0.00 175.17 174.64 2bud s GLU 411 N 0.31 0.36 -0.18 2.11 2.02 0.71 -4.15 118.70 119.87 2bud s GLU 411 Ca 0.03 -0.04 -0.04 0.00 0.02 0.00 0.00 54.97 54.94 2bud s GLU 411 Cb -0.05 -0.43 -0.02 0.00 0.10 0.00 0.00 34.13 33.73 2bud s GLU 411 CO -0.12 -0.03 -0.03 0.71 0.02 0.00 0.00 175.26 175.81 2bud s TYR 412 N 0.51 2.99 0.57 1.61 1.51 -0.53 -0.36 117.35 123.64 2bud s TYR 412 Ca -0.05 -0.53 -0.21 0.00 -1.01 0.00 0.00 57.07 55.27 2bud s TYR 412 Cb -0.08 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 2bud s TYR 412 CO -0.01 -0.24 1.32 0.98 -1.11 0.00 0.00 175.55 176.49 2bud n TYR 413 N 4.09 2.15 -3.69 2.71 9.36 0.15 -2.49 117.16 129.44 2bud n TYR 413 Ca -0.17 0.43 -0.11 0.00 3.32 0.00 0.00 57.90 61.36 2bud n TYR 413 Cb 0.52 -2.33 -0.10 0.00 -0.63 0.00 0.00 39.34 36.80 2bud n TYR 413 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2bud s VAL 414 N -1.32 -0.01 -0.32 2.97 0.11 -0.83 -2.60 120.40 118.40 2bud s VAL 414 Ca 0.74 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.87 2bud s VAL 414 Cb -0.41 -0.70 0.09 0.00 -1.53 0.00 0.00 36.38 33.83 2bud s VAL 414 CO 0.47 0.02 0.02 -2.28 -3.33 0.00 0.00 175.10 170.00 2bud s HIS 415 N 0.92 3.64 0.20 1.54 2.46 -0.71 -3.22 115.29 120.11 2bud s HIS 415 Ca -0.05 -2.86 -0.32 0.00 0.47 0.00 0.00 55.06 52.30 2bud s HIS 415 Cb -0.06 -2.72 -0.12 0.00 -0.13 0.00 0.00 32.58 29.55 2bud s HIS 415 CO -0.08 -0.94 1.74 0.66 -2.47 0.00 0.00 174.74 173.66 2bud n TYR 416 N 4.29 2.74 -0.14 3.88 4.02 -1.26 -1.34 117.16 129.36 2bud n TYR 416 Ca 0.01 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2bud n TYR 416 Cb 0.42 -2.68 0.00 0.00 -0.02 0.00 0.00 39.34 37.06 2bud n TYR 416 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2bud n VAL 417 N 4.05 1.74 0.00 -0.72 0.31 -1.24 -3.84 118.33 118.64 2bud n VAL 417 Ca 0.16 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2bud n VAL 417 Cb 0.35 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 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 1.26 0.05 0.00 2.92 0.00 -1.26 -5.08 105.19 103.08 2bud n GLY 418 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.49 0.00 -4.83 0.99 4.77 -1.25 -4.99 117.00 111.20 2bud n LEU 419 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 2bud n LEU 419 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2bud n LEU 419 CO 0.00 -1.14 0.60 0.21 -1.33 0.00 0.00 177.39 175.72 2bud s ASN 420 N -1.86 6.91 0.24 -1.43 3.84 -1.26 -4.98 114.94 116.40 2bud s ASN 420 Ca 0.00 1.60 -0.07 0.00 0.21 0.00 0.00 52.86 54.60 2bud s ASN 420 Cb 0.00 -2.50 0.25 0.00 -0.55 0.00 0.00 41.25 38.45 2bud s ASN 420 CO 0.00 -0.32 1.90 0.03 -2.79 0.00 0.00 177.10 175.93 2bud h ARG 421 N 2.02 1.18 -0.21 0.43 3.08 -1.95 -2.03 114.38 116.90 2bud h ARG 421 Ca -0.49 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.37 2bud h ARG 421 Cb 1.18 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 2bud h ARG 421 CO 0.62 0.78 -0.39 0.07 -1.07 0.00 0.00 179.97 179.98 2bud h ARG 422 N 1.22 0.48 -0.68 0.04 0.11 -2.03 -2.95 114.38 110.56 2bud h ARG 422 Ca 0.35 -0.23 0.09 0.00 0.10 0.00 0.00 59.98 60.29 2bud h ARG 422 Cb -0.09 -0.00 -0.04 0.00 1.11 0.00 0.00 29.97 30.95 2bud h ARG 422 CO -0.09 0.79 0.45 -0.07 0.10 0.00 0.00 179.97 181.15 2bud h LEU 423 N 0.40 0.50 -9.84 0.08 4.07 -1.76 -3.42 115.31 105.34 2bud h LEU 423 Ca 0.04 0.01 -0.54 0.00 0.08 0.00 0.00 57.88 57.46 2bud h LEU 423 Cb 0.86 -0.09 0.10 0.00 1.08 0.00 0.00 40.66 42.61 2bud h LEU 423 CO 0.07 0.30 0.79 0.47 -1.08 0.00 0.00 178.44 179.00 2bud n ASP 424 N -4.48 3.68 0.00 -0.43 8.00 -1.11 -4.91 116.55 117.30 2bud n ASP 424 Ca 0.11 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.80 2bud n ASP 424 Cb 0.34 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 39.85 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 1.31 2.23 3.27 0.44 0.00 -1.20 -5.05 105.19 106.20 2bud n GLY 425 Ca 0.05 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 0.45 2.47 0.18 1.61 0.52 -1.26 -1.95 118.94 120.95 2bud s TRP 426 Ca 0.00 -0.74 0.07 0.00 0.02 0.00 0.00 56.10 55.45 2bud s TRP 426 Cb 0.00 -1.62 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 2bud s TRP 426 CO 0.00 -0.23 0.04 0.14 0.02 0.00 0.00 176.95 176.92 2bud s VAL 427 N -0.12 3.93 -0.47 4.03 -7.23 -1.04 -4.90 120.40 114.60 2bud s VAL 427 Ca -0.05 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2bud s VAL 427 Cb -0.14 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.80 2bud s VAL 427 CO 0.04 -0.14 0.54 0.61 -0.31 0.00 0.00 175.10 175.84 2bud n GLY 428 N -0.27 1.24 4.79 2.32 0.00 -1.26 -1.45 105.19 110.56 2bud n GLY 428 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2bud n GLY 428 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2bud n ARG 429 N 0.41 0.00 0.33 1.61 3.00 -1.26 -4.53 116.66 116.23 2bud n ARG 429 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 57.85 58.06 2bud n ARG 429 Cb 0.27 -0.08 1.14 0.00 0.00 0.00 0.00 32.46 33.79 2bud n ARG 429 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.63 178.75 2bud h HIS 430 N 0.00 0.00 0.01 -0.14 2.07 -1.92 -0.20 115.15 114.96 2bud h HIS 430 Ca 0.00 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.32 2bud h HIS 430 Cb 0.00 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 29.95 2bud h HIS 430 CO 0.00 0.00 -0.95 0.00 -3.07 0.00 0.00 177.93 173.91 2bud h ARG 431 N 0.00 0.02 -6.21 5.12 3.08 -1.86 -3.45 114.38 111.08 2bud h ARG 431 Ca 0.00 -0.03 -0.56 0.00 0.07 0.00 0.00 59.98 59.46 2bud h ARG 431 Cb 0.12 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 2bud h ARG 431 CO 0.00 0.95 0.02 0.42 -1.07 0.00 0.00 179.97 180.29 2bud s ILE 432 N -2.87 4.77 -0.27 2.04 1.01 -0.09 -0.91 121.20 124.88 2bud s ILE 432 Ca 0.00 1.33 -0.25 0.00 0.00 0.00 0.00 60.65 61.73 2bud s ILE 432 Cb 0.10 -3.96 0.07 0.00 0.01 0.00 0.00 42.46 38.68 2bud s ILE 432 CO 0.81 0.47 0.73 -0.44 0.00 0.00 0.00 174.94 176.51 2bud s SER 433 N -0.61 -0.75 0.48 3.58 0.01 -0.50 -4.97 113.70 110.94 2bud s SER 433 Ca 0.32 1.44 0.27 0.00 1.31 0.00 0.00 55.95 59.28 2bud s SER 433 Cb -0.19 1.45 1.16 0.00 0.21 0.00 0.00 66.02 68.65 2bud s SER 433 CO 0.19 -0.25 1.93 -2.24 0.41 0.00 0.00 173.24 173.28 2bud h ASP 434 N 5.03 0.00 -3.35 2.44 2.03 -1.94 -2.90 116.42 117.73 2bud h ASP 434 Ca -0.29 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.36 2bud h ASP 434 Cb 1.16 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.47 2bud h ASP 434 CO 0.05 0.16 -0.65 0.20 -1.03 0.00 0.00 179.24 177.98 2bud s ASN 435 N -6.08 4.96 0.10 4.15 0.02 -1.26 -4.86 114.94 111.96 2bud s ASN 435 Ca -0.00 -0.03 -0.16 0.00 -1.02 0.00 0.00 52.86 51.64 2bud s ASN 435 Cb 0.11 -1.65 -0.07 0.00 0.02 0.00 0.00 41.25 39.66 2bud s ASN 435 CO 0.60 0.24 1.48 0.00 0.02 0.00 0.00 177.10 179.45 2bud h ALA 436 N 6.16 0.43 -1.00 0.60 0.00 -1.97 -3.10 119.26 120.38 2bud h ALA 436 Ca -0.38 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.33 2bud h ALA 436 Cb 1.19 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 2bud h ALA 436 CO 0.60 0.29 0.63 -0.44 0.00 0.00 0.00 179.25 180.34 2bud h ASP 437 N 0.39 0.93 0.00 0.00 3.32 -1.98 -2.60 116.42 116.48 2bud h ASP 437 Ca 0.07 0.04 -0.23 0.00 0.02 0.00 0.00 57.03 56.94 2bud h ASP 437 Cb 0.62 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 2bud h ASP 437 CO 0.04 0.51 0.06 0.47 -1.72 0.00 0.00 179.24 178.59 2bud n ASP 438 N -4.60 5.33 0.00 6.45 9.92 -1.17 -4.36 116.55 128.12 2bud n ASP 438 Ca 0.18 -2.44 0.00 0.00 -0.53 0.00 0.00 54.79 52.00 2bud n ASP 438 Cb 0.34 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 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 2.64 0.00 -2.47 0.64 4.77 -0.98 -4.87 117.00 116.73 2bud n LEU 439 Ca 0.44 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.39 2bud n LEU 439 Cb 0.81 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.89 2bud n LEU 439 CO 0.20 0.00 0.57 0.61 -1.33 0.00 0.00 177.39 177.43 2bud n GLY 440 N 0.00 -0.70 0.93 -0.72 0.00 -1.26 -5.06 105.19 98.38 2bud n GLY 440 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.46 -4.13 3.59 -0.02 0.00 -1.26 -4.46 105.19 98.44 2bud n GLY 441 Ca -0.23 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.77 3.41 -1.84 -0.61 -1.09 -1.26 -2.76 121.20 115.28 2bud s ILE 442 Ca 0.00 0.40 -0.21 0.00 -2.23 0.00 0.00 60.65 58.61 2bud s ILE 442 Cb 0.00 -3.63 0.21 0.00 -1.58 0.00 0.00 42.46 37.46 2bud s ILE 442 CO 0.00 -0.45 0.53 1.07 -1.23 0.00 0.00 174.94 174.87 2bud n THR 443 N 7.43 -0.16 -3.75 2.92 5.66 -1.05 -4.85 114.28 120.48 2bud n THR 443 Ca 0.23 -0.06 -0.13 0.00 -3.05 0.00 0.00 64.05 61.05 2bud n THR 443 Cb 0.48 -0.60 -0.13 0.00 -1.55 0.00 0.00 70.33 68.52 2bud n THR 443 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2bud s VAL 444 N -3.39 -0.03 -0.08 1.08 1.01 -1.22 -4.96 120.40 112.81 2bud s VAL 444 Ca 0.74 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.77 2bud s VAL 444 Cb -0.43 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.64 2bud s VAL 444 CO 1.02 0.05 0.22 -0.76 0.00 0.00 0.00 175.10 175.64 2bud s LEU 445 N 1.02 1.10 0.17 3.92 1.43 -1.26 -4.36 118.68 120.70 2bud s LEU 445 Ca -0.07 0.45 -0.34 0.00 -1.03 0.00 0.00 54.13 53.13 2bud s LEU 445 Cb -0.09 0.75 -0.14 0.00 0.03 0.00 0.00 46.19 46.73 2bud s LEU 445 CO -0.06 -0.08 1.47 -2.65 0.23 0.00 0.00 176.35 175.26 2bud n PRO 446 N 3.07 1.89 -2.17 1.29 -0.02 -1.26 -4.94 135.00 132.86 2bud n PRO 446 Ca -0.14 0.68 -0.38 0.00 -2.02 0.00 0.00 63.50 61.64 2bud n PRO 446 Cb 0.58 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 2bud n PRO 446 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bud s ALA 447 N 0.55 3.10 0.21 3.55 0.00 -1.26 -4.94 121.76 122.97 2bud s ALA 447 Ca 0.77 1.07 -0.32 0.00 0.00 0.00 0.00 51.96 53.48 2bud s ALA 447 Cb -0.73 -3.43 -0.14 0.00 0.00 0.00 0.00 23.12 18.82 2bud s ALA 447 CO 0.43 -0.73 1.41 -2.30 0.00 0.00 0.00 175.76 174.57 2bud n PRO 448 N -0.16 1.90 -2.09 0.00 -0.02 -1.26 -4.91 135.00 128.47 2bud n PRO 448 Ca 0.05 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 2bud n PRO 448 Cb 0.46 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 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 -0.11 4.29 0.31 0.52 0.04 -1.26 -4.50 135.00 134.28 2bud s PRO 449 Ca 0.72 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.94 2bud s PRO 449 Cb -0.70 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 30.64 2bud s PRO 449 CO 0.48 -0.47 0.00 1.28 0.04 0.00 0.00 177.00 178.32 2bud n LEU 450 N 3.71 -5.98 -2.91 -3.56 4.77 -1.26 -4.89 117.00 106.88 2bud n LEU 450 Ca 0.11 2.99 -0.03 0.00 -0.03 0.00 0.00 56.01 59.05 2bud n LEU 450 Cb 0.41 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.67 2bud n LEU 450 CO 0.60 -0.87 -0.42 0.00 -1.33 0.00 0.00 177.39 175.36 2bud n ALA 451 N 0.80 -2.96 -2.22 -1.18 0.00 -1.26 -4.89 120.51 108.79 2bud n ALA 451 Ca 0.00 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 2bud n ALA 451 Cb 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 2bud n ALA 451 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bud s PRO 452 N -1.63 4.36 -0.29 0.00 0.04 -1.26 -4.95 135.00 131.26 2bud s PRO 452 Ca 0.05 1.99 -0.25 0.00 0.04 0.00 0.00 61.00 62.83 2bud s PRO 452 Cb -0.01 -3.27 0.17 0.00 0.04 0.00 0.00 34.50 31.43 2bud s PRO 452 CO 0.58 -0.37 1.32 0.16 0.04 0.00 0.00 177.00 178.73 2bud s ASP 453 N 1.02 -0.17 0.00 6.66 -4.77 -1.26 -5.11 116.67 113.04 2bud s ASP 453 Ca 0.62 0.32 0.00 0.00 -3.30 0.00 0.00 52.55 50.20 2bud s ASP 453 Cb -0.35 0.34 0.00 0.00 -1.09 0.00 0.00 42.92 41.83 2bud s ASP 453 CO 0.31 -0.06 0.50 0.00 0.70 0.00 0.00 175.17 176.62