#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 0.90 -4.17 1.61 0.87 -2.14 -3.49 113.55 107.15 2bud h SER 364 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2bud h SER 364 Cb 0.00 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 2bud h SER 364 CO 0.00 0.71 -0.75 1.57 -0.53 0.00 0.00 176.83 177.83 2bud n HIS 365 N -4.50 -3.73 -3.63 2.24 -0.00 -1.26 -5.10 115.22 99.24 2bud n HIS 365 Ca 0.07 1.95 -0.05 0.00 -0.00 0.00 0.00 57.72 59.69 2bud n HIS 365 Cb 0.06 -3.17 -0.06 0.00 -0.00 0.00 0.00 29.99 26.82 2bud n HIS 365 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2bud s MET 366 N -3.08 0.25 -0.28 1.57 1.75 -1.26 -5.11 119.30 113.14 2bud s MET 366 Ca 0.00 0.20 -0.34 0.00 -1.25 0.00 0.00 55.69 54.29 2bud s MET 366 Cb 0.00 0.12 -0.11 0.00 2.84 0.00 0.00 34.83 37.68 2bud s MET 366 CO 0.00 -0.05 2.12 -0.40 -0.65 0.00 0.00 175.02 176.04 2bud n ASP 367 N 1.38 2.57 -1.65 1.11 5.75 -1.26 -4.82 116.55 119.64 2bud n ASP 367 Ca -0.09 0.51 -0.04 0.00 -0.01 0.00 0.00 54.79 55.16 2bud n ASP 367 Cb 0.57 -1.33 -0.04 0.00 -1.03 0.00 0.00 41.12 39.29 2bud n ASP 367 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2bud n PRO 368 N 7.88 1.29 0.00 0.11 -0.04 -1.26 -4.24 135.00 138.73 2bud n PRO 368 Ca 0.35 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2bud n PRO 368 Cb 0.27 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 1.70 0.00 0.00 1.53 -0.00 -1.26 -4.94 117.00 114.04 2bud n LEU 369 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 2bud n LEU 369 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 2bud n LEU 369 CO 0.05 0.00 0.00 0.80 -0.00 0.00 0.00 177.39 178.24 2bud n MET 370 N 0.00 0.00 -0.78 1.96 0.00 -1.26 -5.05 117.12 111.99 2bud n MET 370 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.61 2bud n MET 370 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.09 2bud n MET 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2bud n GLN 371 N 0.00 1.56 -3.08 2.12 10.64 -1.26 -4.22 117.38 123.13 2bud n GLN 371 Ca 0.00 -0.78 -0.16 0.00 -1.83 0.00 0.00 57.00 54.23 2bud n GLN 371 Cb 0.00 -1.89 -0.02 0.00 -0.86 0.00 0.00 30.24 27.47 2bud n GLN 371 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2bud n LYS 372 N 2.62 1.03 -2.65 2.61 -0.00 -1.26 -4.93 118.16 115.58 2bud n LYS 372 Ca 0.34 -3.37 -0.04 0.00 -0.00 0.00 0.00 58.31 55.23 2bud n LYS 372 Cb 0.71 -1.62 -0.04 0.00 -0.00 0.00 0.00 35.03 34.09 2bud n LYS 372 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2bud n ILE 373 N 0.21-12.38 -3.24 0.58 5.41 -1.26 -4.98 119.36 103.70 2bud n ILE 373 Ca 0.22 2.51 -0.39 0.00 1.00 0.00 0.00 62.75 66.09 2bud n ILE 373 Cb 0.69 -6.52 -0.06 0.00 -0.71 0.00 0.00 39.64 33.04 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 -0.87 7.03 -0.24 4.38 1.01 -1.26 -4.99 116.67 121.73 2bud s ASP 374 Ca -0.22 1.23 -0.11 0.00 0.71 0.00 0.00 52.55 54.15 2bud s ASP 374 Cb 0.01 -2.37 -0.16 0.00 1.01 0.00 0.00 42.92 41.41 2bud s ASP 374 CO 0.77 0.19 -0.11 -0.38 0.21 0.00 0.00 175.17 175.85 2bud n ILE 375 N 2.17 1.55 0.27 0.77 5.41 -1.26 -4.29 119.36 124.00 2bud n ILE 375 Ca -0.09 -0.38 0.13 0.00 1.00 0.00 0.00 62.75 63.42 2bud n ILE 375 Cb 0.51 -1.80 0.70 0.00 -0.71 0.00 0.00 39.64 38.33 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 -0.65 0.00 -0.06 4.38 0.02 -1.94 -0.18 113.55 115.12 2bud h SER 376 Ca -0.56 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.15 2bud h SER 376 Cb 1.66 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.22 2bud h SER 376 CO -0.24 0.00 -0.90 1.05 -1.14 0.00 0.00 176.83 175.59 2bud h GLU 377 N 0.00 0.71 -0.90 3.45 4.11 -2.00 -3.42 114.58 116.53 2bud h GLU 377 Ca 0.00 -0.69 -0.29 0.00 0.07 0.00 0.00 59.36 58.45 2bud h GLU 377 Cb 0.55 0.18 -0.21 0.00 0.50 0.00 0.00 28.75 29.77 2bud h GLU 377 CO 0.00 1.28 -0.63 0.09 0.07 0.00 0.00 179.01 179.82 2bud n ASN 378 N -3.93 -2.39 -0.34 3.06 5.03 -0.14 -5.00 115.26 111.56 2bud n ASN 378 Ca -0.10 -2.98 0.06 0.00 0.87 0.00 0.00 54.58 52.44 2bud n ASN 378 Cb 0.81 1.19 0.22 0.00 -1.02 0.00 0.00 39.78 40.98 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 4.53 0.89 -0.40 3.52 0.11 -1.67 -1.64 132.00 137.34 2bud h PRO 379 Ca 0.00 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.95 2bud h PRO 379 Cb 1.02 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 2bud h PRO 379 CO 0.24 0.59 -0.20 -0.44 -0.21 0.00 0.00 178.00 177.98 2bud h ASP 380 N 0.92 0.79 -1.85 -2.05 3.32 -1.95 -3.45 116.42 112.15 2bud h ASP 380 Ca 0.48 -0.28 -0.65 0.00 0.02 0.00 0.00 57.03 56.60 2bud h ASP 380 Cb 0.49 -0.22 0.05 0.00 0.22 0.00 0.00 39.33 39.87 2bud h ASP 380 CO -0.27 0.98 0.58 1.17 -1.72 0.00 0.00 179.24 179.98 2bud n LYS 381 N -4.12 1.45 -3.17 3.56 4.81 -0.62 -4.94 118.16 115.13 2bud n LYS 381 Ca 0.00 0.52 -0.39 0.00 -0.87 0.00 0.00 58.31 57.58 2bud n LYS 381 Cb 0.42 -2.21 -0.05 0.00 0.02 0.00 0.00 35.03 33.21 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 0.79 4.99 -0.02 3.15 -1.09 -1.26 -4.79 121.20 122.96 2bud s ILE 382 Ca 0.83 1.26 0.00 0.00 -2.23 0.00 0.00 60.65 60.52 2bud s ILE 382 Cb -0.88 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.02 2bud s ILE 382 CO 0.45 0.36 0.02 -0.31 -1.23 0.00 0.00 174.94 174.22 2bud s TYR 383 N 0.21 3.14 -0.21 3.97 1.51 -0.84 -4.93 117.35 120.21 2bud s TYR 383 Ca 0.32 0.14 -0.20 0.00 -1.01 0.00 0.00 57.07 56.32 2bud s TYR 383 Cb -0.18 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 2bud s TYR 383 CO 0.16 0.48 0.61 -0.06 -1.11 0.00 0.00 175.55 175.64 2bud s PHE 384 N -1.06 3.36 -0.22 2.71 0.40 -0.80 0.52 117.98 122.89 2bud s PHE 384 Ca 0.19 0.88 -0.07 0.00 -0.60 0.00 0.00 56.93 57.32 2bud s PHE 384 Cb -0.12 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.60 2bud s PHE 384 CO 0.09 -0.19 0.05 0.42 0.70 0.00 0.00 175.22 176.29 2bud s ILE 385 N 1.98 4.34 -0.27 0.64 1.09 0.35 -1.76 121.20 127.56 2bud s ILE 385 Ca 0.27 -0.17 -0.25 0.00 -1.10 0.00 0.00 60.65 59.40 2bud s ILE 385 Cb -0.16 -3.00 0.00 0.00 -1.06 0.00 0.00 42.46 38.24 2bud s ILE 385 CO 0.10 0.38 0.88 -0.60 -0.10 0.00 0.00 174.94 175.60 2bud s ARG 386 N 1.23 4.10 0.69 2.79 3.52 -0.16 -0.60 118.95 130.53 2bud s ARG 386 Ca 0.04 0.90 -0.13 0.00 -0.13 0.00 0.00 55.73 56.42 2bud s ARG 386 Cb -0.14 -3.69 0.01 0.00 -1.56 0.00 0.00 34.95 29.57 2bud s ARG 386 CO 0.03 -0.64 1.09 1.03 -0.81 0.00 0.00 175.30 175.99 2bud s ARG 387 N 3.05 2.75 0.30 5.12 0.52 -1.07 -4.79 118.95 124.83 2bud s ARG 387 Ca 0.37 1.22 0.05 0.00 -0.52 0.00 0.00 55.73 56.85 2bud s ARG 387 Cb -0.14 -1.96 0.74 0.00 0.52 0.00 0.00 34.95 34.12 2bud s ARG 387 CO 0.10 -1.26 1.74 1.05 0.02 0.00 0.00 175.30 176.94 2bud h GLU 388 N -0.37 0.57 -0.35 3.54 4.11 -1.96 0.92 114.58 121.03 2bud h GLU 388 Ca -0.45 -0.03 -0.10 0.00 0.07 0.00 0.00 59.36 58.85 2bud h GLU 388 Cb 1.23 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2bud h GLU 388 CO 0.54 0.37 -0.19 0.38 0.07 0.00 0.00 179.01 180.19 2bud h ASP 389 N 0.58 0.66 0.00 3.06 2.03 -2.03 -3.47 116.42 117.25 2bud h ASP 389 Ca 0.57 -0.21 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 2bud h ASP 389 Cb 1.00 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.32 2bud h ASP 389 CO -0.45 0.85 0.00 0.61 -1.03 0.00 0.00 179.24 179.22 2bud n GLY 390 N -0.38 2.48 3.62 7.15 0.00 0.32 -5.04 105.19 113.33 2bud n GLY 390 Ca 0.00 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 0.49 -2.23 2.61 -2.24 -1.26 -4.43 114.28 107.22 2bud n THR 391 Ca 0.00 -0.33 -0.38 0.00 -2.27 0.00 0.00 64.05 61.07 2bud n THR 391 Cb 0.00 -2.40 -0.01 0.00 -2.10 0.00 0.00 70.33 65.82 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 6.79 3.02 -0.17 2.28 1.01 -1.26 -2.59 120.40 129.48 2bud s VAL 392 Ca 0.97 0.83 -0.09 0.00 0.00 0.00 0.00 61.98 63.69 2bud s VAL 392 Cb -0.42 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 32.57 2bud s VAL 392 CO 0.39 0.06 0.41 -1.00 0.00 0.00 0.00 175.10 174.96 2bud s HIS 393 N -1.42 -0.61 0.74 5.22 3.76 0.24 -3.88 115.29 119.33 2bud s HIS 393 Ca 0.59 1.30 -0.16 0.00 -0.15 0.00 0.00 55.06 56.65 2bud s HIS 393 Cb -0.32 0.27 0.01 0.00 1.11 0.00 0.00 32.58 33.65 2bud s HIS 393 CO 0.39 -0.35 0.87 0.54 -0.85 0.00 0.00 174.74 175.34 2bud n ARG 394 N 4.29 0.39 -3.65 1.40 1.74 -1.26 -0.50 116.66 119.08 2bud n ARG 394 Ca -0.23 0.19 -0.02 0.00 -0.77 0.00 0.00 57.85 57.02 2bud n ARG 394 Cb 0.55 -2.14 -0.07 0.00 -1.02 0.00 0.00 32.46 29.79 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 -1.67 0.33 0.00 -0.13 0.00 0.19 -3.73 107.32 102.31 2bud s GLY 395 Ca 0.71 3.46 -0.17 0.00 0.00 0.00 0.00 44.72 48.72 2bud s GLY 395 CO 0.53 2.30 0.48 1.20 0.00 0.00 0.00 173.10 177.61 2bud s GLN 396 N 0.58 4.10 -0.58 2.90 -0.21 -0.60 -1.98 119.66 123.87 2bud s GLN 396 Ca -0.01 0.54 -0.20 0.00 0.02 0.00 0.00 55.36 55.71 2bud s GLN 396 Cb -0.04 -3.27 0.08 0.00 1.00 0.00 0.00 33.01 30.78 2bud s GLN 396 CO -0.12 0.57 0.77 0.08 -2.12 0.00 0.00 175.29 174.47 2bud s VAL 397 N -0.76 4.67 -0.02 1.09 1.01 -1.26 -0.00 120.40 125.13 2bud s VAL 397 Ca 0.26 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 2bud s VAL 397 Cb -0.17 -4.49 -0.28 0.00 0.00 0.00 0.00 36.38 31.43 2bud s VAL 397 CO 0.15 -1.11 0.79 -0.07 0.00 0.00 0.00 175.10 174.85 2bud h LEU 398 N 10.34 0.44 -8.74 3.92 4.07 -1.90 -3.46 115.31 119.97 2bud h LEU 398 Ca -0.28 -0.64 -0.36 0.00 0.08 0.00 0.00 57.88 56.67 2bud h LEU 398 Cb 1.08 -0.14 -0.13 0.00 1.08 0.00 0.00 40.66 42.55 2bud h LEU 398 CO 1.08 1.54 -0.50 -1.10 -1.08 0.00 0.00 178.44 178.38 2bud s GLN 399 N -2.60 1.57 -0.21 1.13 -0.21 -1.25 -5.00 119.66 113.07 2bud s GLN 399 Ca -0.11 -1.84 -0.27 0.00 0.02 0.00 0.00 55.36 53.16 2bud s GLN 399 Cb 0.06 0.32 0.11 0.00 1.00 0.00 0.00 33.01 34.50 2bud s GLN 399 CO 0.85 -0.57 0.92 -1.54 -2.12 0.00 0.00 175.29 172.83 2bud s SER 400 N -3.28 -0.51 0.48 5.90 1.04 -1.26 0.08 113.70 116.15 2bud s SER 400 Ca 0.39 0.82 0.04 0.00 0.48 0.00 0.00 55.95 57.67 2bud s SER 400 Cb 0.04 0.77 -0.03 0.00 0.10 0.00 0.00 66.02 66.90 2bud s SER 400 CO 0.21 -0.29 0.05 0.00 0.98 0.00 0.00 173.24 174.19 2bud s ARG 401 N -0.32 2.14 -0.05 4.02 1.70 -0.83 -4.96 118.95 120.64 2bud s ARG 401 Ca -0.01 -2.25 0.03 0.00 -0.47 0.00 0.00 55.73 53.04 2bud s ARG 401 Cb -0.03 -1.64 0.00 0.00 -0.57 0.00 0.00 34.95 32.71 2bud s ARG 401 CO -0.00 -0.27 -0.14 0.95 -1.08 0.00 0.00 175.30 174.75 2bud s THR 402 N -2.80 1.24 0.11 4.99 -4.23 -1.25 -4.18 115.64 109.51 2bud s THR 402 Ca 0.19 -0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 60.10 2bud s THR 402 Cb 0.04 -1.09 0.03 0.00 1.34 0.00 0.00 72.50 72.82 2bud s THR 402 CO 0.10 0.37 0.07 0.41 -0.54 0.00 0.00 174.62 175.03 2bud n THR 403 N 3.41 0.00 -0.45 3.99 -1.04 -1.25 -4.32 114.28 114.63 2bud n THR 403 Ca -0.20 -0.01 0.37 0.00 -2.04 0.00 0.00 64.05 62.17 2bud n THR 403 Cb 0.53 -0.38 0.65 0.00 -1.82 0.00 0.00 70.33 69.31 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 0.09 -0.55 -2.82 5.08 -2.01 1.08 114.58 115.46 2bud h GLU 404 Ca -0.03 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2bud h GLU 404 Cb 0.10 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 2bud h GLU 404 CO 0.02 0.06 0.18 -0.97 -1.00 0.00 0.00 179.01 177.30 2bud h ASN 405 N 0.09 0.15 -5.17 1.42 -0.73 -2.00 -3.47 115.58 105.88 2bud h ASN 405 Ca 0.81 0.08 -0.13 0.00 1.87 0.00 0.00 56.30 58.93 2bud h ASN 405 Cb 2.57 0.07 0.10 0.00 0.27 0.00 0.00 38.32 41.33 2bud h ASN 405 CO -0.39 0.11 -0.44 0.00 -0.37 0.00 0.00 177.43 176.34 2bud n ALA 406 N -2.47 -2.33 0.00 1.57 0.00 0.37 -4.91 120.51 112.74 2bud n ALA 406 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2bud n ALA 406 Cb 0.24 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.13 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 -2.46 0.00 0.00 0.00 0.00 -1.26 -5.03 120.51 111.76 2bud n ALA 407 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2bud n ALA 407 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.17 0.00 -1.00 0.00 0.00 -1.26 -5.06 120.51 113.02 2bud n ALA 408 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bud n ALA 408 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.05 1.86 0.00 0.00 -0.02 -1.26 -4.78 135.00 128.74 2bud n PRO 409 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2bud n PRO 409 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2bud n PRO 409 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2bud n ASP 410 N 0.00 0.00 -4.74 2.55 -0.08 -1.26 -3.81 116.55 109.21 2bud n ASP 410 Ca 0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 2bud n ASP 410 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 2bud n ASP 410 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2bud s GLU 411 N 0.00 2.80 -0.10 -0.67 2.02 -1.26 -4.31 118.70 117.19 2bud s GLU 411 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.29 2bud s GLU 411 Cb 0.00 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.52 2bud s GLU 411 CO 0.00 0.57 -0.10 0.71 0.02 0.00 0.00 175.26 176.47 2bud s TYR 412 N -1.32 2.87 0.46 1.61 1.51 -1.06 -1.96 117.35 119.47 2bud s TYR 412 Ca 0.27 -0.28 -0.23 0.00 -1.01 0.00 0.00 57.07 55.81 2bud s TYR 412 Cb -0.12 -1.78 -0.07 0.00 -0.11 0.00 0.00 41.96 39.87 2bud s TYR 412 CO 0.19 0.07 1.23 -0.47 -1.11 0.00 0.00 175.55 175.46 2bud s TYR 413 N -0.21 2.75 -0.13 2.71 5.04 0.11 -1.77 117.35 125.85 2bud s TYR 413 Ca 0.02 1.48 -0.07 0.00 -2.44 0.00 0.00 57.07 56.06 2bud s TYR 413 Cb -0.13 -3.53 0.05 0.00 0.35 0.00 0.00 41.96 38.70 2bud s TYR 413 CO 0.03 -1.90 0.31 0.08 -1.34 0.00 0.00 175.55 172.73 2bud s VAL 414 N -1.42 -0.06 -0.44 3.14 1.01 -0.83 -2.86 120.40 118.93 2bud s VAL 414 Ca 0.63 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.64 2bud s VAL 414 Cb -0.33 -0.48 0.09 0.00 0.00 0.00 0.00 36.38 35.66 2bud s VAL 414 CO 0.41 0.05 0.30 -2.28 0.00 0.00 0.00 175.10 173.58 2bud s HIS 415 N 1.38 3.33 0.12 5.22 2.46 0.99 -3.33 115.29 125.47 2bud s HIS 415 Ca -0.09 -1.47 -0.31 0.00 0.47 0.00 0.00 55.06 53.66 2bud s HIS 415 Cb -0.10 -3.10 -0.09 0.00 -0.13 0.00 0.00 32.58 29.16 2bud s HIS 415 CO -0.10 -0.87 1.52 0.71 -2.47 0.00 0.00 174.74 173.53 2bud s TYR 416 N 1.46 2.99 0.05 3.88 1.51 -1.26 -1.56 117.35 124.42 2bud s TYR 416 Ca 0.04 0.68 -0.31 0.00 -1.01 0.00 0.00 57.07 56.47 2bud s TYR 416 Cb -0.24 -3.84 -0.06 0.00 -0.11 0.00 0.00 41.96 37.71 2bud s TYR 416 CO 0.02 -3.13 1.25 0.08 -1.11 0.00 0.00 175.55 172.67 2bud s VAL 417 N 1.47 3.92 0.00 0.71 1.01 -1.24 -3.87 120.40 122.40 2bud s VAL 417 Ca 0.69 1.36 0.00 0.00 0.00 0.00 0.00 61.98 64.03 2bud s VAL 417 Cb -0.40 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2bud s VAL 417 CO 0.31 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2bud n GLY 418 N 3.32 1.04 3.62 4.51 0.00 -1.26 -4.93 105.19 111.49 2bud n GLY 418 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 2.20 -4.59 0.99 4.32 -1.25 -4.89 117.00 113.78 2bud n LEU 419 Ca 0.00 0.29 -0.45 0.00 -0.02 0.00 0.00 56.01 55.83 2bud n LEU 419 Cb 0.00 -1.42 -0.02 0.00 -1.62 0.00 0.00 43.42 40.36 2bud n LEU 419 CO 0.00 -2.44 0.59 0.59 -1.22 0.00 0.00 177.39 174.90 2bud n ASN 420 N -4.33 1.35 0.16 -1.43 3.02 -1.26 -4.86 115.26 107.92 2bud n ASN 420 Ca 0.10 1.18 0.04 0.00 -0.03 0.00 0.00 54.58 55.87 2bud n ASN 420 Cb 0.52 -1.29 0.45 0.00 -0.61 0.00 0.00 39.78 38.85 2bud n ASN 420 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2bud h ARG 421 N 2.08 0.14 -0.87 3.52 3.08 -1.90 -2.63 114.38 117.81 2bud h ARG 421 Ca -0.40 -0.03 0.18 0.00 0.07 0.00 0.00 59.98 59.81 2bud h ARG 421 Cb 1.34 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.30 2bud h ARG 421 CO 0.61 0.28 0.57 0.07 -1.07 0.00 0.00 179.97 180.43 2bud h ARG 422 N 0.14 0.43 -0.52 0.04 0.11 -2.00 0.37 114.38 112.94 2bud h ARG 422 Ca 0.03 -0.03 0.11 0.00 0.10 0.00 0.00 59.98 60.19 2bud h ARG 422 Cb 0.31 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 31.27 2bud h ARG 422 CO 0.02 0.28 0.36 -0.07 0.10 0.00 0.00 179.97 180.66 2bud h LEU 423 N 0.44 0.21 -9.30 0.08 3.38 -1.83 -3.43 115.31 104.86 2bud h LEU 423 Ca 0.44 0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.76 2bud h LEU 423 Cb 1.05 -0.04 0.08 0.00 0.09 0.00 0.00 40.66 41.83 2bud h LEU 423 CO -0.17 0.13 0.25 0.47 0.09 0.00 0.00 178.44 179.20 2bud n ASP 424 N -4.45 1.21 0.00 -0.43 9.92 0.12 -4.84 116.55 118.08 2bud n ASP 424 Ca 0.09 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.49 2bud n ASP 424 Cb 0.43 -1.19 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 2bud n ASP 424 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bud n GLY 425 N 2.02 0.93 3.24 0.44 0.00 -1.21 -5.00 105.19 105.62 2bud n GLY 425 Ca 0.16 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 0.47 2.07 0.23 1.61 0.52 -1.26 -1.96 118.94 120.61 2bud s TRP 426 Ca 0.00 -0.46 0.08 0.00 0.02 0.00 0.00 56.10 55.74 2bud s TRP 426 Cb 0.00 -1.34 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 2bud s TRP 426 CO 0.00 -0.08 0.08 0.14 0.02 0.00 0.00 176.95 177.10 2bud s VAL 427 N -0.39 3.95 -0.28 4.03 -7.23 -0.73 -4.86 120.40 114.88 2bud s VAL 427 Ca 0.05 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2bud s VAL 427 Cb -0.10 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.76 2bud s VAL 427 CO 0.00 -0.28 0.66 0.61 -0.31 0.00 0.00 175.10 175.78 2bud n GLY 428 N -0.76 1.42 4.84 2.32 0.00 -1.26 -2.55 105.19 109.20 2bud n GLY 428 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.48 0.00 0.00 1.61 3.00 -1.26 -4.44 116.66 116.04 2bud n ARG 429 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.92 2bud n ARG 429 Cb 0.33 -0.07 0.36 0.00 0.00 0.00 0.00 32.46 33.08 2bud n ARG 429 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 2bud n HIS 430 N 0.00 0.00 0.11 -0.14 1.44 -1.26 -2.39 115.22 112.98 2bud n HIS 430 Ca 0.00 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.52 2bud n HIS 430 Cb 0.00 -0.35 -0.13 0.00 0.12 0.00 0.00 29.99 29.62 2bud n HIS 430 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2bud h ARG 431 N 0.00 0.42 -6.16 -1.40 2.47 -1.87 -3.45 114.38 104.39 2bud h ARG 431 Ca 0.00 -0.66 -0.56 0.00 -1.26 0.00 0.00 59.98 57.50 2bud h ARG 431 Cb 0.18 0.24 -0.05 0.00 -1.65 0.00 0.00 29.97 28.68 2bud h ARG 431 CO 0.00 1.30 0.03 0.42 0.56 0.00 0.00 179.97 182.28 2bud s ILE 432 N -2.76 4.82 -0.24 2.04 1.01 -1.01 -0.98 121.20 124.09 2bud s ILE 432 Ca -0.06 1.34 -0.22 0.00 0.00 0.00 0.00 60.65 61.71 2bud s ILE 432 Cb 0.06 -3.97 0.06 0.00 0.01 0.00 0.00 42.46 38.62 2bud s ILE 432 CO 0.91 0.43 0.63 -0.44 0.00 0.00 0.00 174.94 176.47 2bud s SER 433 N -0.33 -0.67 0.00 3.58 0.01 -0.72 -4.99 113.70 110.57 2bud s SER 433 Ca 0.32 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.87 2bud s SER 433 Cb -0.19 1.29 0.00 0.00 0.21 0.00 0.00 66.02 67.33 2bud s SER 433 CO 0.19 -0.22 0.66 -0.90 0.41 0.00 0.00 173.24 173.38 2bud n ASP 434 N 2.81 0.61 -3.75 2.44 5.68 -1.26 -1.91 116.55 121.17 2bud n ASP 434 Ca -0.14 -1.92 -0.13 0.00 -0.50 0.00 0.00 54.79 52.10 2bud n ASP 434 Cb 0.56 -0.30 -0.13 0.00 -1.14 0.00 0.00 41.12 40.10 2bud n ASP 434 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2bud s ASN 435 N -0.41 -0.22 0.07 -1.12 -0.87 -1.26 -4.96 114.94 106.18 2bud s ASN 435 Ca 0.00 0.44 -0.17 0.00 -1.57 0.00 0.00 52.86 51.57 2bud s ASN 435 Cb 0.00 0.36 -0.12 0.00 -0.02 0.00 0.00 41.25 41.47 2bud s ASN 435 CO 0.00 -0.14 1.36 0.00 -2.57 0.00 0.00 177.10 175.76 2bud h ALA 436 N 6.82 0.32 -0.98 0.60 0.00 -1.91 -3.20 119.26 120.92 2bud h ALA 436 Ca -0.37 -0.40 0.11 0.00 0.00 0.00 0.00 54.91 54.25 2bud h ALA 436 Cb 1.16 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2bud h ALA 436 CO 0.39 0.34 0.61 -0.44 0.00 0.00 0.00 179.25 180.15 2bud h ASP 437 N 0.26 0.91 0.00 0.00 3.32 -1.97 -2.37 116.42 116.57 2bud h ASP 437 Ca 0.02 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2bud h ASP 437 Cb 0.87 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 2bud h ASP 437 CO 0.07 0.50 -0.23 0.47 -1.72 0.00 0.00 179.24 178.33 2bud n ASP 438 N -4.62 5.08 0.00 6.45 8.00 -1.21 -4.26 116.55 126.00 2bud n ASP 438 Ca 0.18 -2.41 0.00 0.00 0.71 0.00 0.00 54.79 53.26 2bud n ASP 438 Cb 0.32 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 2bud n ASP 438 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2bud n LEU 439 N 2.16 0.00 -2.66 0.64 4.77 -0.89 -4.93 117.00 116.08 2bud n LEU 439 Ca 0.26 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.20 2bud n LEU 439 Cb 0.74 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.86 2bud n LEU 439 CO 0.08 0.00 0.63 0.61 -1.33 0.00 0.00 177.39 177.38 2bud n GLY 440 N -0.06 -0.67 7.00 -0.72 0.00 -1.23 -5.06 105.19 104.45 2bud n GLY 440 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.30 1.37 3.09 -0.02 0.00 -1.26 -4.43 105.19 103.64 2bud n GLY 441 Ca -0.20 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 -0.46 0.11 -0.61 -1.09 -1.26 -4.67 121.20 113.22 2bud s ILE 442 Ca 0.00 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 2bud s ILE 442 Cb 0.00 -0.51 0.00 0.00 -1.58 0.00 0.00 42.46 40.37 2bud s ILE 442 CO 0.00 0.10 0.00 1.07 -1.23 0.00 0.00 174.94 174.88 2bud n THR 443 N 5.30 -2.97 -1.86 2.92 5.66 -1.25 -4.90 114.28 117.18 2bud n THR 443 Ca -0.08 1.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.92 2bud n THR 443 Cb 0.50 -1.56 0.00 0.00 -1.55 0.00 0.00 70.33 67.72 2bud n THR 443 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 2bud n VAL 444 N 0.96 -5.31 -2.12 1.08 3.14 -1.26 -4.79 118.33 110.04 2bud n VAL 444 Ca 0.00 2.18 -0.42 0.00 -2.96 0.00 0.00 64.34 63.13 2bud n VAL 444 Cb 0.00 -2.93 -0.03 0.00 -1.06 0.00 0.00 33.84 29.83 2bud n VAL 444 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2bud s LEU 445 N -1.62 4.24 0.19 6.55 1.43 -1.26 -4.96 118.68 123.25 2bud s LEU 445 Ca 0.00 2.04 -0.30 0.00 -1.03 0.00 0.00 54.13 54.84 2bud s LEU 445 Cb 0.00 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.61 2bud s LEU 445 CO 0.00 -0.92 1.00 -2.16 0.23 0.00 0.00 176.35 174.50 2bud s PRO 446 N 3.98 4.72 -0.29 1.29 0.04 -1.26 -5.04 135.00 138.44 2bud s PRO 446 Ca 0.69 1.56 -0.18 0.00 0.04 0.00 0.00 61.00 63.11 2bud s PRO 446 Cb -0.30 -3.30 0.16 0.00 0.04 0.00 0.00 34.50 31.10 2bud s PRO 446 CO 0.26 0.29 1.07 0.00 0.04 0.00 0.00 177.00 178.65 2bud s ALA 447 N -0.58 -2.30 0.39 8.56 0.00 -1.26 -5.16 121.76 121.41 2bud s ALA 447 Ca 0.45 2.08 -0.26 0.00 0.00 0.00 0.00 51.96 54.23 2bud s ALA 447 Cb -0.26 -1.73 -0.09 0.00 0.00 0.00 0.00 23.12 21.04 2bud s ALA 447 CO 0.33 -0.31 1.31 -1.25 0.00 0.00 0.00 175.76 175.84 2bud s PRO 448 N 1.04 4.03 -0.05 0.00 0.04 -1.26 -4.92 135.00 133.87 2bud s PRO 448 Ca -0.06 2.18 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 2bud s PRO 448 Cb -0.04 -2.81 -0.07 0.00 0.04 0.00 0.00 34.50 31.62 2bud s PRO 448 CO -0.13 -0.45 2.04 -1.25 0.04 0.00 0.00 177.00 177.26 2bud s PRO 449 N -2.17 3.80 0.01 0.56 0.04 -1.26 -4.95 135.00 131.03 2bud s PRO 449 Ca 0.56 2.40 -0.27 0.00 0.04 0.00 0.00 61.00 63.73 2bud s PRO 449 Cb -0.39 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 29.88 2bud s PRO 449 CO 0.50 -1.34 0.86 -1.17 0.04 0.00 0.00 177.00 175.89 2bud s LEU 450 N 5.75 4.39 -0.29 -3.56 1.98 -1.26 -5.03 118.68 120.66 2bud s LEU 450 Ca 0.92 1.52 -0.17 0.00 -2.89 0.00 0.00 54.13 53.51 2bud s LEU 450 Cb -0.39 -3.38 0.17 0.00 0.66 0.00 0.00 46.19 43.25 2bud s LEU 450 CO 0.39 -0.13 1.10 0.00 -1.89 0.00 0.00 176.35 175.82 2bud s ALA 451 N 0.56 -2.38 0.00 5.97 0.00 -1.26 -5.03 121.76 119.62 2bud s ALA 451 Ca 0.45 2.07 0.00 0.00 0.00 0.00 0.00 51.96 54.48 2bud s ALA 451 Cb -0.20 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.13 2bud s ALA 451 CO 0.25 -0.31 1.91 -0.35 0.00 0.00 0.00 175.76 177.26 2bud n PRO 452 N 3.24 0.96 -2.67 0.00 -0.04 -1.26 -3.65 135.00 131.58 2bud n PRO 452 Ca -0.17 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.25 2bud n PRO 452 Cb 0.57 -1.02 0.03 0.00 -0.04 0.00 0.00 33.50 33.04 2bud n PRO 452 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2bud n ASP 453 N 1.51 -1.28 0.00 3.54 -0.08 -1.26 -5.38 116.55 113.60 2bud n ASP 453 Ca 0.00 -1.85 0.00 0.00 -1.51 0.00 0.00 54.79 51.43 2bud n ASP 453 Cb 0.48 1.08 0.00 0.00 2.34 0.00 0.00 41.12 45.02 2bud n ASP 453 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99