#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 0.00 -4.74 1.61 2.88 -1.26 -5.14 113.62 106.97 2bud n SER 364 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 2bud n SER 364 Cb 0.00 0.02 -0.01 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.01 2.74 -4.15 0.66 -0.00 -1.26 -5.01 115.22 107.19 2bud n HIS 365 Ca 0.00 0.41 -0.28 0.00 -0.00 0.00 0.00 57.72 57.85 2bud n HIS 365 Cb 0.00 -2.52 -0.17 0.00 -0.00 0.00 0.00 29.99 27.30 2bud n HIS 365 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2bud s MET 366 N -1.46 2.00 -0.02 1.57 1.00 -1.26 -5.11 119.30 116.02 2bud s MET 366 Ca 0.58 -0.46 -0.30 0.00 0.00 0.00 0.00 55.69 55.51 2bud s MET 366 Cb -0.52 -1.84 -0.04 0.00 0.00 0.00 0.00 34.83 32.43 2bud s MET 366 CO 0.58 -0.18 1.28 -0.51 0.00 0.00 0.00 175.02 176.19 2bud s ASP 367 N 1.35 6.98 -0.14 3.03 1.01 -1.26 -4.92 116.67 122.71 2bud s ASP 367 Ca 0.00 1.95 -0.01 0.00 0.71 0.00 0.00 52.55 55.21 2bud s ASP 367 Cb -0.14 -2.56 0.09 0.00 1.01 0.00 0.00 42.92 41.32 2bud s ASP 367 CO -0.06 -0.62 2.06 -0.81 0.21 0.00 0.00 175.17 175.94 2bud n PRO 368 N 5.10 1.39 0.00 8.23 -0.04 -1.26 -3.36 135.00 145.06 2bud n PRO 368 Ca 0.12 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 2bud n PRO 368 Cb 0.45 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.02 0.00 -3.38 1.53 -0.00 -1.26 -4.95 117.00 109.95 2bud n LEU 369 Ca 0.15 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.77 2bud n LEU 369 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 2bud n LEU 369 CO 0.17 0.00 1.89 0.80 -0.00 0.00 0.00 177.39 180.26 2bud n MET 370 N -0.59 4.52 -0.59 1.47 1.56 -1.22 -4.85 117.12 117.42 2bud n MET 370 Ca 0.00 -3.78 -0.09 0.00 -0.27 0.00 0.00 57.70 53.56 2bud n MET 370 Cb 0.00 -2.49 -0.08 0.00 2.15 0.00 0.00 33.22 32.80 2bud n MET 370 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 2bud n GLN 371 N 0.79 1.28 -1.48 2.12 6.02 -1.26 -4.79 117.38 120.07 2bud n GLN 371 Ca 0.55 -0.70 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 2bud n GLN 371 Cb 0.28 -1.88 0.00 0.00 1.02 0.00 0.00 30.24 29.66 2bud n GLN 371 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2bud n LYS 372 N 2.94 -3.98 -1.68 -1.09 4.76 -1.26 -4.80 118.16 113.05 2bud n LYS 372 Ca 0.27 3.05 -0.45 0.00 -2.87 0.00 0.00 58.31 58.32 2bud n LYS 372 Cb 0.46 -3.71 -0.03 0.00 -1.84 0.00 0.00 35.03 29.91 2bud n LYS 372 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2bud n ILE 373 N -2.09 0.32 -3.00 -0.18 5.41 -1.26 -4.94 119.36 113.63 2bud n ILE 373 Ca 0.00 -0.08 -0.43 0.00 1.00 0.00 0.00 62.75 63.24 2bud n ILE 373 Cb 0.33 -1.59 -0.06 0.00 -0.71 0.00 0.00 39.64 37.61 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 0.74 6.43 0.11 4.38 1.01 -1.26 -4.93 116.67 123.15 2bud s ASP 374 Ca 0.75 -0.00 -0.12 0.00 0.71 0.00 0.00 52.55 53.89 2bud s ASP 374 Cb -0.64 -2.37 -0.13 0.00 1.01 0.00 0.00 42.92 40.78 2bud s ASP 374 CO 0.41 -0.82 1.33 0.40 0.21 0.00 0.00 175.17 176.70 2bud h ILE 375 N 5.88 1.28 -1.16 0.77 2.04 -1.92 -3.24 117.51 121.16 2bud h ILE 375 Ca -0.25 -1.95 0.34 0.00 1.00 0.00 0.00 64.86 64.00 2bud h ILE 375 Cb 1.09 1.94 -0.05 0.00 -0.74 0.00 0.00 36.82 39.06 2bud h ILE 375 CO 0.93 0.62 0.92 -1.28 0.00 0.00 0.00 178.15 179.34 2bud h SER 376 N 0.55 0.00 -0.28 1.72 0.87 -1.98 0.27 113.55 114.70 2bud h SER 376 Ca -0.04 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.37 2bud h SER 376 Cb 1.37 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 2bud h SER 376 CO 0.15 0.00 -0.37 1.05 -0.53 0.00 0.00 176.83 177.14 2bud h GLU 377 N 0.00 0.81 -0.69 2.24 4.11 -1.99 -3.40 114.58 115.66 2bud h GLU 377 Ca 0.55 -0.41 -0.34 0.00 0.07 0.00 0.00 59.36 59.23 2bud h GLU 377 Cb 2.38 0.01 -0.23 0.00 0.50 0.00 0.00 28.75 31.41 2bud h GLU 377 CO -0.01 1.04 -0.71 0.09 0.07 0.00 0.00 179.01 179.50 2bud n ASN 378 N -4.05 -1.79 -0.34 3.06 5.03 0.80 -5.00 115.26 112.96 2bud n ASN 378 Ca -0.02 -3.13 0.08 0.00 0.87 0.00 0.00 54.58 52.39 2bud n ASN 378 Cb 0.52 0.98 0.25 0.00 -1.02 0.00 0.00 39.78 40.52 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 3.92 0.83 -0.15 3.52 0.11 -1.40 -1.46 132.00 137.37 2bud h PRO 379 Ca -0.07 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.86 2bud h PRO 379 Cb 0.98 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2bud h PRO 379 CO 0.37 0.55 -0.49 -0.44 -0.21 0.00 0.00 178.00 177.78 2bud h ASP 380 N 0.85 0.41 -1.79 -2.05 3.32 -1.91 -3.42 116.42 111.84 2bud h ASP 380 Ca 0.50 -0.20 -0.66 0.00 0.02 0.00 0.00 57.03 56.70 2bud h ASP 380 Cb 0.61 -0.12 0.09 0.00 0.22 0.00 0.00 39.33 40.13 2bud h ASP 380 CO -0.31 0.83 0.06 1.17 -1.72 0.00 0.00 179.24 179.28 2bud n LYS 381 N -3.97 0.87 -2.96 3.56 4.81 -0.55 -4.91 118.16 115.01 2bud n LYS 381 Ca -0.02 0.31 -0.40 0.00 -0.87 0.00 0.00 58.31 57.33 2bud n LYS 381 Cb 0.55 -1.68 -0.04 0.00 0.02 0.00 0.00 35.03 33.87 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 -0.52 4.97 0.03 3.15 -1.09 -1.26 -4.64 121.20 121.83 2bud s ILE 382 Ca 0.70 1.61 0.08 0.00 -2.23 0.00 0.00 60.65 60.81 2bud s ILE 382 Cb -0.87 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 35.87 2bud s ILE 382 CO 0.55 0.24 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.95 2bud s TYR 383 N 0.76 2.39 0.22 3.97 1.51 -0.97 -4.90 117.35 120.34 2bud s TYR 383 Ca 0.41 -0.37 -0.21 0.00 -1.01 0.00 0.00 57.07 55.88 2bud s TYR 383 Cb -0.19 -1.43 -0.08 0.00 -0.11 0.00 0.00 41.96 40.14 2bud s TYR 383 CO 0.21 0.13 0.76 -0.06 -1.11 0.00 0.00 175.55 175.47 2bud s PHE 384 N -0.80 3.70 -0.07 2.71 0.40 -1.04 0.92 117.98 123.80 2bud s PHE 384 Ca 0.12 1.47 0.05 0.00 -0.60 0.00 0.00 56.93 57.98 2bud s PHE 384 Cb -0.10 -2.68 -0.01 0.00 0.51 0.00 0.00 43.02 40.75 2bud s PHE 384 CO 0.02 0.35 -0.24 0.42 0.70 0.00 0.00 175.22 176.47 2bud s ILE 385 N -1.47 2.08 -0.54 0.64 1.09 0.57 -2.06 121.20 121.51 2bud s ILE 385 Ca 0.42 -1.04 -0.24 0.00 -1.10 0.00 0.00 60.65 58.69 2bud s ILE 385 Cb -0.18 -1.76 0.04 0.00 -1.06 0.00 0.00 42.46 39.50 2bud s ILE 385 CO 0.22 0.57 0.91 -0.60 -0.10 0.00 0.00 174.94 175.94 2bud s ARG 386 N -0.03 3.32 0.83 2.79 6.06 -0.93 -1.14 118.95 129.86 2bud s ARG 386 Ca -0.08 -0.30 -0.10 0.00 -2.50 0.00 0.00 55.73 52.75 2bud s ARG 386 Cb -0.15 -4.05 0.09 0.00 0.06 0.00 0.00 34.95 30.91 2bud s ARG 386 CO 0.05 -1.44 1.11 1.03 -2.50 0.00 0.00 175.30 173.54 2bud s ARG 387 N 3.81 1.74 0.00 5.12 0.52 -0.91 -4.81 118.95 124.42 2bud s ARG 387 Ca 0.29 1.26 0.00 0.00 -0.52 0.00 0.00 55.73 56.76 2bud s ARG 387 Cb -0.13 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.51 2bud s ARG 387 CO 0.19 -2.04 0.94 0.39 0.02 0.00 0.00 175.30 174.80 2bud n GLU 388 N -3.80 0.00 -0.53 3.54 1.02 -1.26 -0.78 120.64 118.82 2bud n GLU 388 Ca 0.10 0.69 0.45 0.00 -0.02 0.00 0.00 57.16 58.38 2bud n GLU 388 Cb 0.53 -1.44 0.74 0.00 -0.02 0.00 0.00 31.44 31.25 2bud n GLU 388 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2bud h ASP 389 N 0.00 0.00 0.00 1.62 3.04 -2.04 -3.43 116.42 115.61 2bud h ASP 389 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2bud h ASP 389 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2bud h ASP 389 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 2bud n GLY 390 N -1.85 0.89 3.04 7.15 0.00 0.04 -5.12 105.19 109.35 2bud n GLY 390 Ca 0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.35 2.03 0.15 2.61 -4.23 -1.23 -4.85 115.64 108.77 2bud s THR 391 Ca 0.00 -1.53 -0.30 0.00 -1.18 0.00 0.00 61.69 58.68 2bud s THR 391 Cb 0.00 -2.16 -0.08 0.00 1.34 0.00 0.00 72.50 71.60 2bud s THR 391 CO 0.00 -0.02 1.26 -0.69 -0.54 0.00 0.00 174.62 174.62 2bud s VAL 392 N 1.17 3.52 -0.16 2.29 1.01 -1.26 -2.14 120.40 124.83 2bud s VAL 392 Ca -0.08 1.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.96 2bud s VAL 392 Cb -0.20 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.46 2bud s VAL 392 CO -0.06 0.15 0.43 -1.00 0.00 0.00 0.00 175.10 174.63 2bud s HIS 393 N 0.38 -0.49 0.79 5.22 3.76 -0.29 -4.62 115.29 120.03 2bud s HIS 393 Ca 0.57 1.18 -0.15 0.00 -0.15 0.00 0.00 55.06 56.50 2bud s HIS 393 Cb -0.34 0.18 -0.02 0.00 1.11 0.00 0.00 32.58 33.52 2bud s HIS 393 CO 0.35 -0.25 0.49 0.54 -0.85 0.00 0.00 174.74 175.02 2bud n ARG 394 N 3.07 0.13 -3.65 1.40 1.74 -1.26 -0.31 116.66 117.77 2bud n ARG 394 Ca -0.15 0.09 0.01 0.00 -0.77 0.00 0.00 57.85 57.03 2bud n ARG 394 Cb 0.57 -1.84 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 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 -1.63 0.54 0.01 -0.13 0.00 0.26 -4.09 107.32 102.28 2bud s GLY 395 Ca 0.63 3.74 -0.29 0.00 0.00 0.00 0.00 44.72 48.80 2bud s GLY 395 CO 0.61 2.49 0.94 1.20 0.00 0.00 0.00 173.10 178.34 2bud s GLN 396 N 0.70 4.56 -0.16 2.90 -0.21 -0.71 -2.29 119.66 124.45 2bud s GLN 396 Ca -0.03 1.35 -0.19 0.00 0.02 0.00 0.00 55.36 56.51 2bud s GLN 396 Cb -0.03 -3.45 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 2bud s GLN 396 CO -0.12 0.01 0.51 0.08 -2.12 0.00 0.00 175.29 173.65 2bud s VAL 397 N 0.83 5.13 -0.15 1.09 1.01 -1.26 -0.04 120.40 127.02 2bud s VAL 397 Ca 0.49 0.98 0.01 0.00 0.00 0.00 0.00 61.98 63.47 2bud s VAL 397 Cb -0.21 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 2bud s VAL 397 CO 0.27 0.23 -0.13 0.18 0.00 0.00 0.00 175.10 175.65 2bud n LEU 398 N 4.33 2.97 -4.26 3.92 7.99 -0.91 -4.90 117.00 126.15 2bud n LEU 398 Ca -0.05 -0.08 -0.17 0.00 -0.01 0.00 0.00 56.01 55.70 2bud n LEU 398 Cb 0.51 -0.51 -0.09 0.00 -0.11 0.00 0.00 43.42 43.22 2bud n LEU 398 CO 0.43 0.74 -0.16 -1.10 -1.51 0.00 0.00 177.39 175.79 2bud s GLN 399 N -2.29 1.56 -0.08 3.23 -0.21 -1.26 -4.96 119.66 115.66 2bud s GLN 399 Ca -0.20 -1.88 -0.30 0.00 0.02 0.00 0.00 55.36 53.00 2bud s GLN 399 Cb 0.05 0.30 0.09 0.00 1.00 0.00 0.00 33.01 34.45 2bud s GLN 399 CO 0.33 -0.56 0.80 -1.54 -2.12 0.00 0.00 175.29 172.21 2bud s SER 400 N -3.30 -0.54 -0.19 5.90 1.04 -1.25 -0.31 113.70 115.06 2bud s SER 400 Ca 0.40 0.54 -0.13 0.00 0.48 0.00 0.00 55.95 57.24 2bud s SER 400 Cb 0.04 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.66 2bud s SER 400 CO 0.22 -0.53 0.47 0.00 0.98 0.00 0.00 173.24 174.38 2bud s ARG 401 N -1.37 0.50 0.21 4.02 1.70 -0.46 -4.93 118.95 118.60 2bud s ARG 401 Ca -0.06 0.78 -0.30 0.00 -0.47 0.00 0.00 55.73 55.68 2bud s ARG 401 Cb -0.00 0.12 -0.08 0.00 -0.57 0.00 0.00 34.95 34.41 2bud s ARG 401 CO 0.05 -0.12 1.22 0.95 -1.08 0.00 0.00 175.30 176.32 2bud s THR 402 N 0.93 3.44 0.59 4.99 -4.23 -1.25 -0.61 115.64 119.50 2bud s THR 402 Ca -0.05 1.24 -0.10 0.00 -1.18 0.00 0.00 61.69 61.60 2bud s THR 402 Cb -0.06 -3.79 0.15 0.00 1.34 0.00 0.00 72.50 70.14 2bud s THR 402 CO -0.08 0.21 0.39 0.41 -0.54 0.00 0.00 174.62 175.01 2bud n THR 403 N 2.29 0.00 -0.38 3.99 -1.04 -1.04 -4.54 114.28 113.56 2bud n THR 403 Ca 0.04 -0.05 0.29 0.00 -2.04 0.00 0.00 64.05 62.29 2bud n THR 403 Cb 0.44 -0.58 0.56 0.00 -1.82 0.00 0.00 70.33 68.93 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 0.23 -0.14 -2.82 4.39 -1.95 0.12 114.58 114.41 2bud h GLU 404 Ca -0.17 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.55 2bud h GLU 404 Cb 0.55 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2bud h GLU 404 CO 0.10 0.15 -0.01 -0.97 -1.16 0.00 0.00 179.01 177.12 2bud h ASN 405 N 0.24 -0.09 -5.64 1.42 -1.24 -1.94 -3.47 115.58 104.87 2bud h ASN 405 Ca 0.73 0.04 -0.17 0.00 0.71 0.00 0.00 56.30 57.60 2bud h ASN 405 Cb 2.02 0.07 0.07 0.00 0.73 0.00 0.00 38.32 41.20 2bud h ASN 405 CO -0.42 -0.02 -0.46 0.00 -1.29 0.00 0.00 177.43 175.23 2bud n ALA 406 N -2.28 -2.54 0.00 1.57 0.00 0.42 -4.88 120.51 112.79 2bud n ALA 406 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2bud n ALA 406 Cb 0.09 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 16.61 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 -2.56 0.00 0.06 0.00 0.00 -1.26 -5.03 120.51 111.72 2bud n ALA 407 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 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 -0.14 0.00 -1.61 0.00 0.00 -1.26 -5.08 120.51 112.42 2bud n ALA 408 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2bud n ALA 408 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.73 0.93 -3.65 0.00 -0.02 -1.26 -4.94 135.00 123.33 2bud n PRO 409 Ca 0.00 0.36 -0.02 0.00 -2.02 0.00 0.00 63.50 61.82 2bud n PRO 409 Cb 0.00 -2.16 -0.06 0.00 -0.02 0.00 0.00 33.50 31.26 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 -1.21 -0.03 -0.12 2.55 -4.77 -1.26 -2.51 116.67 109.32 2bud s ASP 410 Ca 0.75 0.05 -0.03 0.00 -3.30 0.00 0.00 52.55 50.02 2bud s ASP 410 Cb -0.42 0.05 -0.03 0.00 -1.09 0.00 0.00 42.92 41.42 2bud s ASP 410 CO 0.48 -0.02 0.00 -1.61 0.70 0.00 0.00 175.17 174.72 2bud s GLU 411 N -0.36 3.37 -0.17 2.11 8.01 0.23 -2.80 118.70 129.09 2bud s GLU 411 Ca 0.08 -0.42 -0.04 0.00 0.01 0.00 0.00 54.97 54.60 2bud s GLU 411 Cb -0.03 -2.91 -0.02 0.00 -4.31 0.00 0.00 34.13 26.85 2bud s GLU 411 CO -0.13 0.49 -0.04 0.71 0.01 0.00 0.00 175.26 176.30 2bud s TYR 412 N -0.30 3.00 0.39 1.61 1.51 0.47 -1.36 117.35 122.67 2bud s TYR 412 Ca 0.06 -0.42 -0.27 0.00 -1.01 0.00 0.00 57.07 55.44 2bud s TYR 412 Cb -0.12 -1.98 -0.09 0.00 -0.11 0.00 0.00 41.96 39.65 2bud s TYR 412 CO 0.02 -0.14 1.35 -0.47 -1.11 0.00 0.00 175.55 175.20 2bud s TYR 413 N 0.57 2.79 -0.04 2.71 5.04 0.58 -0.42 117.35 128.59 2bud s TYR 413 Ca -0.03 1.35 0.02 0.00 -2.44 0.00 0.00 57.07 55.97 2bud s TYR 413 Cb -0.14 -3.76 0.01 0.00 0.35 0.00 0.00 41.96 38.42 2bud s TYR 413 CO 0.03 -2.28 -0.08 0.08 -1.34 0.00 0.00 175.55 171.95 2bud s VAL 414 N -1.20 0.74 -0.58 3.14 1.01 -0.85 -2.15 120.40 120.51 2bud s VAL 414 Ca 0.55 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2bud s VAL 414 Cb -0.41 -0.69 0.15 0.00 0.00 0.00 0.00 36.38 35.43 2bud s VAL 414 CO 0.53 0.25 0.36 -2.28 0.00 0.00 0.00 175.10 173.96 2bud s HIS 415 N 0.49 3.30 0.10 5.22 2.46 0.94 -2.49 115.29 125.32 2bud s HIS 415 Ca -0.08 -2.95 -0.34 0.00 0.47 0.00 0.00 55.06 52.16 2bud s HIS 415 Cb -0.12 -3.01 -0.13 0.00 -0.13 0.00 0.00 32.58 29.19 2bud s HIS 415 CO 0.01 -0.79 1.68 0.66 -2.47 0.00 0.00 174.74 173.83 2bud n TYR 416 N 3.25 2.34 -2.22 3.88 4.02 -1.26 -1.74 117.16 125.43 2bud n TYR 416 Ca 0.07 0.15 -0.42 0.00 -0.01 0.00 0.00 57.90 57.69 2bud n TYR 416 Cb 0.35 -2.60 -0.03 0.00 -0.02 0.00 0.00 39.34 37.04 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 1.84 3.59 0.00 -0.72 1.01 -1.26 -3.50 120.40 121.37 2bud s VAL 417 Ca 0.82 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.87 2bud s VAL 417 Cb -0.66 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2bud s VAL 417 CO 0.41 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2bud n GLY 418 N 3.56 0.91 3.67 4.51 0.00 -1.26 -4.95 105.19 111.63 2bud n GLY 418 Ca 0.12 0.00 -0.33 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 3.92 -4.55 0.99 4.32 -1.23 -4.89 117.00 115.56 2bud n LEU 419 Ca 0.00 0.54 -0.42 0.00 -0.02 0.00 0.00 56.01 56.11 2bud n LEU 419 Cb 0.00 -1.48 0.00 0.00 -1.62 0.00 0.00 43.42 40.32 2bud n LEU 419 CO 0.00 -1.91 0.40 -0.46 -1.22 0.00 0.00 177.39 174.20 2bud n ASN 420 N -3.35 0.49 -0.10 -1.43 0.23 -1.26 -4.84 115.26 104.99 2bud n ASN 420 Ca 0.13 1.03 -0.01 0.00 -0.53 0.00 0.00 54.58 55.20 2bud n ASN 420 Cb 0.51 -1.25 0.25 0.00 -2.08 0.00 0.00 39.78 37.21 2bud n ASN 420 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 2bud h ARG 421 N 1.37 0.75 -0.59 -3.83 3.08 -1.91 -2.46 114.38 110.79 2bud h ARG 421 Ca -0.41 -0.12 0.17 0.00 0.07 0.00 0.00 59.98 59.69 2bud h ARG 421 Cb 1.36 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 2bud h ARG 421 CO 0.56 0.64 0.43 0.07 -1.07 0.00 0.00 179.97 180.60 2bud h ARG 422 N 0.74 0.00 -0.22 0.04 0.11 -2.01 0.84 114.38 113.89 2bud h ARG 422 Ca 0.17 -0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.27 2bud h ARG 422 Cb 0.20 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 2bud h ARG 422 CO -0.01 0.00 0.15 1.25 0.10 0.00 0.00 179.97 181.46 2bud h LEU 423 N 0.00 0.19 -9.26 0.08 5.85 -1.79 -3.43 115.31 106.95 2bud h LEU 423 Ca 0.28 -0.00 -0.67 0.00 0.84 0.00 0.00 57.88 58.33 2bud h LEU 423 Cb 1.13 -0.05 0.08 0.00 0.37 0.00 0.00 40.66 42.19 2bud h LEU 423 CO -0.00 0.14 0.14 0.47 -0.34 0.00 0.00 178.44 178.84 2bud n ASP 424 N -4.50 0.87 0.00 1.25 9.92 0.29 -4.93 116.55 119.45 2bud n ASP 424 Ca 0.01 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 2bud n ASP 424 Cb 0.13 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.46 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 1.91 1.31 3.75 0.44 0.00 -1.04 -4.98 105.19 106.60 2bud n GLY 425 Ca 0.16 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.00 3.34 0.00 1.61 0.52 -1.26 -2.01 118.94 119.14 2bud s TRP 426 Ca 0.00 1.46 0.01 0.00 0.02 0.00 0.00 56.10 57.59 2bud s TRP 426 Cb 0.00 -3.49 -0.00 0.00 -1.15 0.00 0.00 33.47 28.83 2bud s TRP 426 CO 0.00 -1.32 -0.03 0.14 0.02 0.00 0.00 176.95 175.76 2bud s VAL 427 N -0.63 0.22 0.60 4.03 -7.23 0.44 -4.85 120.40 112.99 2bud s VAL 427 Ca 0.50 -0.22 -0.18 0.00 -1.81 0.00 0.00 61.98 60.27 2bud s VAL 427 Cb -0.35 -0.21 -0.07 0.00 0.56 0.00 0.00 36.38 36.30 2bud s VAL 427 CO 0.42 -0.00 0.56 0.61 -0.31 0.00 0.00 175.10 176.38 2bud n GLY 428 N 2.83 -1.40 0.32 2.32 0.00 -1.26 -0.39 105.19 107.61 2bud n GLY 428 Ca -0.14 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 0.15 0.46 -0.55 1.61 9.65 -1.88 0.24 114.38 124.05 2bud h ARG 429 Ca -0.46 -0.03 0.13 0.00 -1.10 0.00 0.00 59.98 58.52 2bud h ARG 429 Cb 1.39 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.83 2bud h ARG 429 CO 0.46 0.31 0.38 1.12 2.80 0.00 0.00 179.97 185.04 2bud h HIS 430 N 0.47 0.20 -0.05 2.20 2.07 -1.90 0.11 115.15 118.26 2bud h HIS 430 Ca 0.57 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 58.09 2bud h HIS 430 Cb 1.04 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 30.96 2bud h HIS 430 CO -0.10 0.09 0.00 0.54 -3.07 0.00 0.00 177.93 175.39 2bud n ARG 431 N -4.43 1.30 -3.69 5.12 1.74 0.83 -4.69 116.66 112.84 2bud n ARG 431 Ca 0.10 -0.25 -0.11 0.00 -0.77 0.00 0.00 57.85 56.82 2bud n ARG 431 Cb 0.50 -1.52 -0.11 0.00 -1.02 0.00 0.00 32.46 30.31 2bud n ARG 431 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bud s ILE 432 N -1.06 -0.24 -0.22 0.55 1.01 0.40 -2.18 121.20 119.45 2bud s ILE 432 Ca 0.04 0.15 -0.27 0.00 0.00 0.00 0.00 60.65 60.57 2bud s ILE 432 Cb 0.03 -0.57 0.11 0.00 0.01 0.00 0.00 42.46 42.04 2bud s ILE 432 CO 0.01 0.06 0.92 -0.44 0.00 0.00 0.00 174.94 175.50 2bud s SER 433 N 1.84 -0.52 0.00 3.58 0.01 -0.87 -4.93 113.70 112.80 2bud s SER 433 Ca -0.06 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.06 2bud s SER 433 Cb -0.10 0.83 0.00 0.00 0.21 0.00 0.00 66.02 66.96 2bud s SER 433 CO -0.12 -0.27 0.36 0.47 0.41 0.00 0.00 173.24 174.10 2bud n ASP 434 N 1.82 0.33 -3.65 2.44 8.00 -1.26 -2.48 116.55 121.75 2bud n ASP 434 Ca -0.13 -1.06 -0.06 0.00 0.71 0.00 0.00 54.79 54.24 2bud n ASP 434 Cb 0.56 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.43 2bud n ASP 434 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bud s ASN 435 N -0.84 -0.92 0.47 -2.24 4.22 -1.26 -4.94 114.94 109.43 2bud s ASN 435 Ca 0.00 1.45 0.24 0.00 -2.14 0.00 0.00 52.86 52.41 2bud s ASN 435 Cb 0.00 1.47 1.13 0.00 1.28 0.00 0.00 41.25 45.13 2bud s ASN 435 CO 0.00 -0.23 1.93 0.00 -2.04 0.00 0.00 177.10 176.76 2bud h ALA 436 N 7.20 1.17 -0.96 3.54 0.00 -1.94 -3.17 119.26 125.11 2bud h ALA 436 Ca -0.28 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 54.69 2bud h ALA 436 Cb 1.20 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 2bud h ALA 436 CO 0.16 0.26 0.50 -0.44 0.00 0.00 0.00 179.25 179.73 2bud h ASP 437 N 0.00 0.48 0.19 0.00 5.19 -1.95 -0.16 116.42 120.17 2bud h ASP 437 Ca -0.00 0.16 -0.30 0.00 -0.62 0.00 0.00 57.03 56.27 2bud h ASP 437 Cb 0.56 0.10 0.02 0.00 0.18 0.00 0.00 39.33 40.20 2bud h ASP 437 CO 0.03 0.00 -1.41 0.44 -3.12 0.00 0.00 179.24 175.18 2bud h ASP 438 N 0.44 0.62 0.00 6.45 5.19 -1.97 -3.38 116.42 123.77 2bud h ASP 438 Ca 0.63 -0.92 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 2bud h ASP 438 Cb 1.26 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.57 2bud h ASP 438 CO -0.53 1.65 0.00 0.18 -3.12 0.00 0.00 179.24 177.42 2bud n LEU 439 N -3.81 0.00 -2.48 1.55 4.77 -0.40 -4.79 117.00 111.84 2bud n LEU 439 Ca -0.20 0.31 -0.02 0.00 -0.03 0.00 0.00 56.01 56.07 2bud n LEU 439 Cb 1.00 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 42.19 2bud n LEU 439 CO 0.52 0.00 0.52 0.61 -1.33 0.00 0.00 177.39 177.71 2bud n GLY 440 N -0.40 1.83 1.16 -0.72 0.00 -0.68 -5.00 105.19 101.38 2bud n GLY 440 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.23 -3.93 3.58 -0.02 0.00 -0.21 -4.67 105.19 98.71 2bud n GLY 441 Ca -0.16 -0.91 -0.55 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.75 0.25 -1.66 -0.61 2.08 -1.26 -4.74 119.36 111.68 2bud n ILE 442 Ca 0.00 -0.12 -0.42 0.00 0.56 0.00 0.00 62.75 62.77 2bud n ILE 442 Cb 0.21 -1.32 -0.03 0.00 -0.75 0.00 0.00 39.64 37.74 2bud n ILE 442 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2bud s THR 443 N 5.10 3.02 -0.39 1.39 2.01 -1.26 -4.89 115.64 120.63 2bud s THR 443 Ca 1.04 0.03 0.10 0.00 0.31 0.00 0.00 61.69 63.17 2bud s THR 443 Cb -1.03 -3.02 0.31 0.00 0.01 0.00 0.00 72.50 68.77 2bud s THR 443 CO 0.60 -0.01 0.71 0.52 -0.69 0.00 0.00 174.62 175.75 2bud n VAL 444 N 6.14 -0.31 -2.73 3.82 0.31 -1.26 -4.94 118.33 119.36 2bud n VAL 444 Ca 0.22 -3.95 -0.09 0.00 -0.01 0.00 0.00 64.34 60.52 2bud n VAL 444 Cb 0.42 -0.52 0.09 0.00 -0.91 0.00 0.00 33.84 32.92 2bud n VAL 444 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bud n LEU 445 N 0.70 -1.20 -4.76 7.52 -0.00 -1.26 -5.14 117.00 112.86 2bud n LEU 445 Ca 0.21 -3.66 -0.37 0.00 -0.00 0.00 0.00 56.01 52.20 2bud n LEU 445 Cb 0.62 0.33 0.02 0.00 -0.00 0.00 0.00 43.42 44.39 2bud n LEU 445 CO 0.18 1.90 0.87 -2.84 -0.00 0.00 0.00 177.39 177.49 2bud s PRO 446 N -0.57 3.22 0.16 1.47 0.02 -1.26 -4.93 135.00 133.11 2bud s PRO 446 Ca 0.24 1.89 -0.34 0.00 0.02 0.00 0.00 61.00 62.81 2bud s PRO 446 Cb 0.39 -2.12 -0.14 0.00 0.02 0.00 0.00 34.50 32.65 2bud s PRO 446 CO -0.06 -1.02 1.59 0.00 -0.33 0.00 0.00 177.00 177.18 2bud n ALA 447 N -1.19 1.42 -1.55 -1.55 0.00 -1.26 -4.83 120.51 111.55 2bud n ALA 447 Ca 0.11 0.44 -0.46 0.00 0.00 0.00 0.00 53.44 53.53 2bud n ALA 447 Cb 0.48 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.52 2bud n ALA 447 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2bud n PRO 448 N 3.55 1.70 -0.03 0.00 -0.02 -1.26 -4.97 135.00 133.97 2bud n PRO 448 Ca 0.17 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2bud n PRO 448 Cb 0.29 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 30.85 2bud n PRO 448 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2bud n PRO 449 N 8.39 0.94 -0.17 0.52 -0.04 -1.26 -4.90 135.00 138.48 2bud n PRO 449 Ca 0.33 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.77 2bud n PRO 449 Cb 0.36 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.84 2bud n PRO 449 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2bud n LEU 450 N 0.00 3.59 -4.73 1.53 4.77 -1.26 -4.87 117.00 116.03 2bud n LEU 450 Ca 0.00 -1.80 -0.40 0.00 -0.03 0.00 0.00 56.01 53.78 2bud n LEU 450 Cb 0.00 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 40.45 2bud n LEU 450 CO 0.00 0.60 0.50 0.00 -1.33 0.00 0.00 177.39 177.16 2bud s ALA 451 N -0.32 3.32 -0.04 -1.18 0.00 -1.26 -4.94 121.76 117.33 2bud s ALA 451 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2bud s ALA 451 Cb 0.05 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2bud s ALA 451 CO 0.01 -0.03 0.86 -0.35 0.00 0.00 0.00 175.76 176.24 2bud n PRO 452 N 3.23 0.87 -2.50 0.00 -0.04 -1.26 -4.88 135.00 130.42 2bud n PRO 452 Ca -0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2bud n PRO 452 Cb 0.51 -1.08 -0.04 0.00 -0.04 0.00 0.00 33.50 32.85 2bud n PRO 452 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2bud s ASP 453 N 0.96 7.25 0.00 3.54 1.11 -1.26 -5.28 116.67 122.99 2bud s ASP 453 Ca 0.00 2.12 0.00 0.00 0.18 0.00 0.00 52.55 54.85 2bud s ASP 453 Cb 0.00 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.38 2bud s ASP 453 CO 0.00 -0.23 0.50 0.00 1.18 0.00 0.00 175.17 176.62