#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 0.03 0.00 1.61 0.87 -2.03 -3.42 113.55 110.62 2bud h SER 364 Ca 0.00 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 2bud h SER 364 Cb 0.00 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 2bud h SER 364 CO 0.00 0.11 -0.05 0.00 -0.53 0.00 0.00 176.83 176.35 2bud n HIS 365 N -5.03 -0.29 -1.26 2.24 -0.00 -1.26 -5.14 115.22 104.47 2bud n HIS 365 Ca -0.07 -0.26 0.00 0.00 -0.00 0.00 0.00 57.72 57.39 2bud n HIS 365 Cb 0.07 0.63 0.00 0.00 -0.00 0.00 0.00 29.99 30.69 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 -0.22 -3.59 -1.60 -1.40 0.00 -1.26 -4.79 117.12 104.26 2bud n MET 366 Ca -0.04 2.69 -0.53 0.00 -0.00 0.00 0.00 57.70 59.82 2bud n MET 366 Cb 0.51 -3.07 -0.06 0.00 0.00 0.00 0.00 33.22 30.59 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 -1.13 1.60 -1.92 6.12 9.92 -1.26 -4.83 116.55 125.05 2bud n ASP 367 Ca 0.00 1.12 -0.11 0.00 -0.53 0.00 0.00 54.79 55.27 2bud n ASP 367 Cb 0.06 -1.16 -0.08 0.00 -0.64 0.00 0.00 41.12 39.29 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 2.76 1.75 0.00 -0.24 -0.04 -1.26 -3.50 135.00 134.47 2bud n PRO 368 Ca 0.19 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 2bud n PRO 368 Cb 0.17 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 1.76 0.00 -1.14 1.53 -0.00 -1.26 -4.93 117.00 112.96 2bud n LEU 369 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 2bud n LEU 369 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.13 2bud n LEU 369 CO 0.14 0.00 0.47 0.80 -0.00 0.00 0.00 177.39 178.80 2bud n MET 370 N -0.35 0.76 -1.78 1.47 1.56 -1.23 -3.88 117.12 113.68 2bud n MET 370 Ca 0.00 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.14 2bud n MET 370 Cb 0.00 -1.12 0.04 0.00 2.15 0.00 0.00 33.22 34.30 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 0.85 3.20 -1.77 2.12 6.02 -1.26 -5.03 117.38 121.51 2bud n GLN 371 Ca 0.00 -3.82 -0.30 0.00 -0.01 0.00 0.00 57.00 52.87 2bud n GLN 371 Cb 0.38 -2.28 0.08 0.00 1.02 0.00 0.00 30.24 29.44 2bud n GLN 371 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2bud s LYS 372 N -3.71 2.16 0.29 -1.09 1.02 -1.25 -4.91 119.74 112.25 2bud s LYS 372 Ca 0.56 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.92 2bud s LYS 372 Cb 0.45 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.81 2bud s LYS 372 CO -0.02 -1.51 0.00 -0.89 -0.92 0.00 0.00 175.35 172.02 2bud n ILE 373 N -3.31 -3.77 -2.97 2.17 5.41 -1.26 -5.01 119.36 110.62 2bud n ILE 373 Ca 0.07 1.54 -0.16 0.00 1.00 0.00 0.00 62.75 65.21 2bud n ILE 373 Cb 0.58 -2.23 -0.01 0.00 -0.71 0.00 0.00 39.64 37.28 2bud n ILE 373 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2bud n ASP 374 N -0.56 -1.32 -0.38 4.38 8.00 -1.26 -5.00 116.55 120.41 2bud n ASP 374 Ca 0.00 -3.04 0.30 0.00 0.71 0.00 0.00 54.79 52.77 2bud n ASP 374 Cb 0.00 0.62 0.59 0.00 -0.02 0.00 0.00 41.12 42.31 2bud n ASP 374 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2bud h ILE 375 N 2.45 0.32 -1.17 0.53 2.04 -1.91 -0.80 117.51 118.97 2bud h ILE 375 Ca -0.04 -0.08 0.35 0.00 1.00 0.00 0.00 64.86 66.09 2bud h ILE 375 Cb 0.96 0.08 -0.11 0.00 -0.74 0.00 0.00 36.82 37.01 2bud h ILE 375 CO 0.39 0.04 0.76 -1.28 0.00 0.00 0.00 178.15 178.06 2bud h SER 376 N 0.22 0.33 0.43 1.72 0.87 -1.95 0.14 113.55 115.31 2bud h SER 376 Ca 0.71 0.10 -0.29 0.00 -1.23 0.00 0.00 61.79 61.08 2bud h SER 376 Cb 2.08 0.06 0.02 0.00 -0.44 0.00 0.00 62.40 64.12 2bud h SER 376 CO -0.34 -0.04 -1.26 1.05 -0.53 0.00 0.00 176.83 175.71 2bud h GLU 377 N 0.23 0.41 -2.04 2.24 4.11 -1.59 -3.42 114.58 114.53 2bud h GLU 377 Ca 0.69 -0.63 -0.46 0.00 0.07 0.00 0.00 59.36 59.04 2bud h GLU 377 Cb 2.02 0.22 -0.32 0.00 0.50 0.00 0.00 28.75 31.18 2bud h GLU 377 CO -0.34 1.28 -0.81 -0.80 0.07 0.00 0.00 179.01 178.42 2bud s ASN 378 N -7.29 0.98 0.19 3.06 0.02 0.41 -5.00 114.94 107.31 2bud s ASN 378 Ca -0.06 -2.38 -0.10 0.00 -1.02 0.00 0.00 52.86 49.30 2bud s ASN 378 Cb 0.06 0.24 0.10 0.00 0.02 0.00 0.00 41.25 41.67 2bud s ASN 378 CO 0.90 -0.18 1.72 -0.65 0.02 0.00 0.00 177.10 178.91 2bud h PRO 379 N 6.00 1.03 -0.01 -0.60 0.11 -1.56 -3.06 132.00 133.90 2bud h PRO 379 Ca 0.16 -0.22 -0.17 0.00 0.11 0.00 0.00 66.00 65.87 2bud h PRO 379 Cb 0.99 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 2bud h PRO 379 CO 0.25 0.90 -0.77 -0.44 -0.21 0.00 0.00 178.00 177.72 2bud h ASP 380 N 0.97 0.18 -1.09 -2.05 5.19 -1.93 -3.44 116.42 114.26 2bud h ASP 380 Ca 0.22 -0.14 -0.78 0.00 -0.62 0.00 0.00 57.03 55.71 2bud h ASP 380 Cb 0.29 -0.06 0.05 0.00 0.18 0.00 0.00 39.33 39.79 2bud h ASP 380 CO -0.01 0.89 0.13 1.17 -3.12 0.00 0.00 179.24 178.30 2bud n LYS 381 N -3.71 0.15 -2.88 3.56 4.81 -1.16 -4.88 118.16 114.06 2bud n LYS 381 Ca -0.02 0.06 -0.41 0.00 -0.87 0.00 0.00 58.31 57.07 2bud n LYS 381 Cb 0.74 -1.57 -0.04 0.00 0.02 0.00 0.00 35.03 34.17 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 0.15 4.78 0.00 3.15 -1.09 -1.26 -4.67 121.20 122.25 2bud s ILE 382 Ca 0.90 1.78 0.04 0.00 -2.23 0.00 0.00 60.65 61.15 2bud s ILE 382 Cb -1.23 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 35.43 2bud s ILE 382 CO 0.56 0.29 -0.12 -0.31 -1.23 0.00 0.00 174.94 174.13 2bud s TYR 383 N 0.35 2.75 -0.13 3.97 1.51 -0.82 -4.89 117.35 120.09 2bud s TYR 383 Ca 0.43 -0.13 -0.16 0.00 -1.01 0.00 0.00 57.07 56.20 2bud s TYR 383 Cb -0.21 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 2bud s TYR 383 CO 0.25 0.29 0.40 -0.06 -1.11 0.00 0.00 175.55 175.32 2bud s PHE 384 N -0.91 3.50 -0.10 2.71 0.40 -0.50 0.46 117.98 123.54 2bud s PHE 384 Ca 0.15 0.77 0.03 0.00 -0.60 0.00 0.00 56.93 57.28 2bud s PHE 384 Cb -0.11 -2.45 -0.01 0.00 0.51 0.00 0.00 43.02 40.96 2bud s PHE 384 CO 0.05 0.22 -0.20 0.42 0.70 0.00 0.00 175.22 176.41 2bud s ILE 385 N 0.48 2.48 -0.16 0.64 1.09 -0.39 -1.55 121.20 123.79 2bud s ILE 385 Ca 0.22 -0.88 -0.25 0.00 -1.10 0.00 0.00 60.65 58.64 2bud s ILE 385 Cb -0.14 -1.98 -0.02 0.00 -1.06 0.00 0.00 42.46 39.26 2bud s ILE 385 CO 0.08 0.55 0.82 -0.60 -0.10 0.00 0.00 174.94 175.68 2bud s ARG 386 N 0.24 4.30 0.58 2.79 3.52 -0.93 -0.06 118.95 129.40 2bud s ARG 386 Ca -0.13 0.99 -0.10 0.00 -0.13 0.00 0.00 55.73 56.37 2bud s ARG 386 Cb -0.16 -3.57 0.14 0.00 -1.56 0.00 0.00 34.95 29.80 2bud s ARG 386 CO 0.07 -0.30 0.60 0.54 -0.81 0.00 0.00 175.30 175.39 2bud n ARG 387 N 5.13 -1.62 -0.09 5.12 1.74 -1.03 -4.88 116.66 121.03 2bud n ARG 387 Ca 0.04 -0.94 -0.12 0.00 -0.77 0.00 0.00 57.85 56.06 2bud n ARG 387 Cb 0.49 -0.79 -0.04 0.00 -1.02 0.00 0.00 32.46 31.10 2bud n ARG 387 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2bud h GLU 388 N 0.00 0.49 -0.20 5.56 3.07 -1.97 -3.18 114.58 118.35 2bud h GLU 388 Ca -0.21 -0.19 -0.15 0.00 -0.50 0.00 0.00 59.36 58.31 2bud h GLU 388 Cb 0.63 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 2bud h GLU 388 CO 0.14 0.71 -0.51 0.38 -1.40 0.00 0.00 179.01 178.33 2bud h ASP 389 N 0.24 0.61 0.00 1.42 2.03 -1.94 -3.48 116.42 115.30 2bud h ASP 389 Ca 0.07 -0.31 0.00 0.00 -0.73 0.00 0.00 57.03 56.06 2bud h ASP 389 Cb 0.52 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 2bud h ASP 389 CO 0.02 1.01 0.00 0.61 -1.03 0.00 0.00 179.24 179.85 2bud n GLY 390 N 0.18 2.42 3.61 7.15 0.00 -1.20 -4.71 105.19 112.63 2bud n GLY 390 Ca -0.03 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 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 0.44 -2.66 2.61 -2.24 -1.26 -4.30 114.28 106.86 2bud n THR 391 Ca 0.00 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.00 2bud n THR 391 Cb 0.00 -2.41 -0.03 0.00 -2.10 0.00 0.00 70.33 65.78 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 7.19 4.65 -0.03 2.28 1.01 -1.26 -2.47 120.40 131.76 2bud s VAL 392 Ca 0.98 1.96 0.06 0.00 0.00 0.00 0.00 61.98 64.99 2bud s VAL 392 Cb -0.41 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.70 2bud s VAL 392 CO 0.39 0.18 -0.22 -1.00 0.00 0.00 0.00 175.10 174.45 2bud s HIS 393 N 0.79 2.04 0.74 5.22 3.76 0.92 -1.52 115.29 127.24 2bud s HIS 393 Ca 0.52 -0.46 -0.15 0.00 -0.15 0.00 0.00 55.06 54.81 2bud s HIS 393 Cb -0.23 -1.33 0.04 0.00 1.11 0.00 0.00 32.58 32.17 2bud s HIS 393 CO 0.29 -0.09 1.14 0.54 -0.85 0.00 0.00 174.74 175.77 2bud n ARG 394 N 2.71 0.51 -3.65 1.40 1.74 -1.26 -1.26 116.66 116.86 2bud n ARG 394 Ca -0.16 0.24 -0.01 0.00 -0.77 0.00 0.00 57.85 57.15 2bud n ARG 394 Cb 0.52 -2.39 -0.06 0.00 -1.02 0.00 0.00 32.46 29.51 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 -1.78 0.30 -0.11 -0.13 0.00 0.17 -2.97 107.32 102.79 2bud s GLY 395 Ca 0.76 3.44 -0.19 0.00 0.00 0.00 0.00 44.72 48.73 2bud s GLY 395 CO 0.48 2.50 0.50 1.20 0.00 0.00 0.00 173.10 177.78 2bud s GLN 396 N 0.92 4.35 0.08 2.90 -0.21 -0.47 -1.94 119.66 125.29 2bud s GLN 396 Ca -0.05 0.49 -0.25 0.00 0.02 0.00 0.00 55.36 55.57 2bud s GLN 396 Cb -0.03 -3.44 -0.06 0.00 1.00 0.00 0.00 33.01 30.48 2bud s GLN 396 CO -0.12 0.15 0.77 0.08 -2.12 0.00 0.00 175.29 174.04 2bud s VAL 397 N 0.65 4.64 0.00 1.09 1.01 -1.26 -0.68 120.40 125.84 2bud s VAL 397 Ca 0.27 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.89 2bud s VAL 397 Cb -0.15 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2bud s VAL 397 CO 0.11 0.41 0.00 0.18 0.00 0.00 0.00 175.10 175.80 2bud n LEU 398 N 2.47 1.01 -4.59 3.92 4.77 -1.19 -4.91 117.00 118.49 2bud n LEU 398 Ca -0.03 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.67 2bud n LEU 398 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2bud n LEU 398 CO 0.47 0.17 -0.24 -1.10 -1.33 0.00 0.00 177.39 175.36 2bud s GLN 399 N -2.00 1.96 -0.19 3.23 -1.52 -1.26 -4.99 119.66 114.89 2bud s GLN 399 Ca 0.00 -2.19 -0.28 0.00 -1.95 0.00 0.00 55.36 50.94 2bud s GLN 399 Cb 0.00 -1.04 0.11 0.00 -0.22 0.00 0.00 33.01 31.85 2bud s GLN 399 CO 0.00 -0.34 0.90 -1.54 -0.25 0.00 0.00 175.29 174.06 2bud s SER 400 N -3.68 -0.51 -0.08 5.90 1.04 -1.26 -0.80 113.70 114.31 2bud s SER 400 Ca 0.22 0.77 -0.06 0.00 0.48 0.00 0.00 55.95 57.36 2bud s SER 400 Cb 0.04 0.71 0.03 0.00 0.10 0.00 0.00 66.02 66.90 2bud s SER 400 CO 0.12 -0.32 0.21 0.00 0.98 0.00 0.00 173.24 174.22 2bud s ARG 401 N -0.48 0.21 -0.58 4.02 1.70 -0.34 -4.96 118.95 118.53 2bud s ARG 401 Ca -0.02 0.35 0.00 0.00 -0.47 0.00 0.00 55.73 55.60 2bud s ARG 401 Cb -0.02 0.03 0.50 0.00 -0.57 0.00 0.00 34.95 34.89 2bud s ARG 401 CO 0.01 -0.07 1.93 0.25 -1.08 0.00 0.00 175.30 176.33 2bud n THR 402 N 3.39 3.42 -1.78 4.99 -2.24 -1.26 -0.83 114.28 119.97 2bud n THR 402 Ca -0.17 -2.80 0.03 0.00 -2.27 0.00 0.00 64.05 58.84 2bud n THR 402 Cb 0.57 -0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 67.81 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 -0.96 0.00 -0.22 4.28 -1.04 -1.26 0.01 114.28 115.08 2bud n THR 403 Ca 0.60 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.52 2bud n THR 403 Cb 0.92 -0.08 0.03 0.00 -1.82 0.00 0.00 70.33 69.38 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 1.02 0.30 -2.82 4.39 -1.97 -3.20 114.58 112.31 2bud h GLU 404 Ca 0.00 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 2bud h GLU 404 Cb 0.21 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2bud h GLU 404 CO 0.00 0.95 -0.28 -0.91 -1.16 0.00 0.00 179.01 177.61 2bud h ASN 405 N 0.93 -0.74 -6.10 1.42 2.35 -1.97 -3.46 115.58 108.01 2bud h ASN 405 Ca 0.19 0.06 -0.44 0.00 -0.55 0.00 0.00 56.30 55.57 2bud h ASN 405 Cb 0.42 0.25 0.04 0.00 0.05 0.00 0.00 38.32 39.08 2bud h ASN 405 CO 0.01 -0.41 -0.74 0.00 -1.65 0.00 0.00 177.43 174.64 2bud n ALA 406 N -2.55 -1.40 -0.99 -0.83 0.00 0.10 -4.83 120.51 110.02 2bud n ALA 406 Ca -0.09 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2bud n ALA 406 Cb 0.31 -4.50 0.00 0.00 0.00 0.00 0.00 19.45 15.25 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 -4.73 1.04 0.00 0.00 0.00 -1.26 -4.72 120.51 110.84 2bud n ALA 407 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2bud n ALA 407 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.01 0.00 -1.74 0.00 0.00 -1.26 -4.34 120.51 113.15 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 0.50 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.00 2bud n ALA 408 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bud n PRO 409 N -2.01 1.50 -3.65 0.00 -0.04 -1.26 -5.02 135.00 124.52 2bud n PRO 409 Ca 0.00 0.56 -0.01 0.00 -0.04 0.00 0.00 63.50 64.01 2bud n PRO 409 Cb 0.00 -2.57 -0.07 0.00 -0.04 0.00 0.00 33.50 30.83 2bud n PRO 409 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2bud s ASP 410 N -1.07 -0.13 -0.09 3.54 -4.77 -1.25 -4.15 116.67 108.75 2bud s ASP 410 Ca 0.76 0.23 -0.06 0.00 -3.30 0.00 0.00 52.55 50.18 2bud s ASP 410 Cb -0.40 0.66 0.03 0.00 -1.09 0.00 0.00 42.92 42.12 2bud s ASP 410 CO 0.46 -0.04 0.22 -1.61 0.70 0.00 0.00 175.17 174.90 2bud s GLU 411 N 0.60 0.21 -0.15 2.11 2.02 -0.01 -4.56 118.70 118.93 2bud s GLU 411 Ca -0.01 0.41 -0.01 0.00 0.02 0.00 0.00 54.97 55.38 2bud s GLU 411 Cb -0.04 -0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.15 2bud s GLU 411 CO -0.12 -0.11 -0.10 0.71 0.02 0.00 0.00 175.26 175.66 2bud s TYR 412 N 0.77 2.89 0.57 1.61 1.51 -1.08 -1.20 117.35 122.42 2bud s TYR 412 Ca -0.05 -0.58 -0.19 0.00 -1.01 0.00 0.00 57.07 55.23 2bud s TYR 412 Cb -0.07 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 2bud s TYR 412 CO -0.05 -0.20 1.16 -0.47 -1.11 0.00 0.00 175.55 174.89 2bud s TYR 413 N 0.47 2.54 -0.11 2.71 5.04 0.02 -2.17 117.35 125.84 2bud s TYR 413 Ca -0.07 1.53 -0.09 0.00 -2.44 0.00 0.00 57.07 56.00 2bud s TYR 413 Cb -0.15 -3.37 0.03 0.00 0.35 0.00 0.00 41.96 38.82 2bud s TYR 413 CO 0.04 -1.86 0.29 0.54 -1.34 0.00 0.00 175.55 173.22 2bud s VAL 414 N -1.73 -0.01 -0.37 3.14 0.11 0.15 -3.14 120.40 118.55 2bud s VAL 414 Ca 0.74 0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 59.82 2bud s VAL 414 Cb -0.26 -0.42 0.10 0.00 -1.53 0.00 0.00 36.38 34.27 2bud s VAL 414 CO 0.30 0.01 0.13 -2.28 -3.33 0.00 0.00 175.10 169.94 2bud s HIS 415 N 0.42 3.61 0.07 1.54 2.46 0.14 -2.13 115.29 121.40 2bud s HIS 415 Ca -0.02 -2.56 -0.31 0.00 0.47 0.00 0.00 55.06 52.64 2bud s HIS 415 Cb -0.04 -3.00 -0.09 0.00 -0.13 0.00 0.00 32.58 29.33 2bud s HIS 415 CO -0.02 -0.95 1.72 0.71 -2.47 0.00 0.00 174.74 173.73 2bud s TYR 416 N 1.07 2.24 0.02 3.88 1.51 -1.26 -1.36 117.35 123.44 2bud s TYR 416 Ca 0.08 0.16 -0.30 0.00 -1.01 0.00 0.00 57.07 56.00 2bud s TYR 416 Cb -0.21 -4.04 -0.05 0.00 -0.11 0.00 0.00 41.96 37.55 2bud s TYR 416 CO -0.05 -4.25 1.19 0.08 -1.11 0.00 0.00 175.55 171.40 2bud s VAL 417 N 2.89 4.17 0.00 0.71 1.01 -1.16 -3.64 120.40 124.37 2bud s VAL 417 Ca 0.77 1.54 0.00 0.00 0.00 0.00 0.00 61.98 64.29 2bud s VAL 417 Cb -0.41 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2bud s VAL 417 CO 0.34 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.13 2bud n GLY 418 N 3.25 0.88 3.66 4.51 0.00 -1.26 -4.87 105.19 111.37 2bud n GLY 418 Ca 0.09 0.00 -0.33 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 3.67 -4.57 0.99 7.99 -1.24 -4.92 117.00 118.92 2bud n LEU 419 Ca 0.00 0.51 -0.39 0.00 -0.01 0.00 0.00 56.01 56.12 2bud n LEU 419 Cb 0.00 -1.47 0.03 0.00 -0.11 0.00 0.00 43.42 41.87 2bud n LEU 419 CO 0.00 -2.01 0.43 0.59 -1.51 0.00 0.00 177.39 174.89 2bud n ASN 420 N -3.44 0.49 -0.23 -1.43 4.13 -1.26 -4.88 115.26 108.64 2bud n ASN 420 Ca 0.13 0.89 -0.02 0.00 1.68 0.00 0.00 54.58 57.25 2bud n ASN 420 Cb 0.51 -1.31 0.18 0.00 -1.54 0.00 0.00 39.78 37.61 2bud n ASN 420 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 2bud h ARG 421 N 0.86 1.04 -0.98 3.52 3.08 -1.92 -2.02 114.38 117.96 2bud h ARG 421 Ca -0.46 -0.12 0.12 0.00 0.07 0.00 0.00 59.98 59.60 2bud h ARG 421 Cb 1.36 -0.20 -0.08 0.00 0.08 0.00 0.00 29.97 31.13 2bud h ARG 421 CO 0.52 0.77 0.62 0.00 -1.07 0.00 0.00 179.97 180.82 2bud h ARG 422 N 1.04 0.92 -0.44 0.04 3.08 -2.01 0.16 114.38 117.17 2bud h ARG 422 Ca 0.26 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 2bud h ARG 422 Cb 0.04 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2bud h ARG 422 CO -0.04 0.61 0.08 -0.07 -1.07 0.00 0.00 179.97 179.48 2bud h LEU 423 N 0.95 0.63 -9.69 3.04 4.07 -1.72 -3.43 115.31 109.16 2bud h LEU 423 Ca 0.49 -0.11 -0.53 0.00 0.08 0.00 0.00 57.88 57.82 2bud h LEU 423 Cb 0.53 -0.16 0.05 0.00 1.08 0.00 0.00 40.66 42.15 2bud h LEU 423 CO -0.26 0.64 0.77 -1.81 -1.08 0.00 0.00 178.44 176.71 2bud s ASP 424 N -6.65 6.68 0.00 -0.43 1.01 0.58 -4.89 116.67 112.96 2bud s ASP 424 Ca -0.09 2.60 0.00 0.00 0.71 0.00 0.00 52.55 55.77 2bud s ASP 424 Cb 0.16 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.47 2bud s ASP 424 CO 0.78 -0.71 0.00 0.61 0.21 0.00 0.00 175.17 176.06 2bud n GLY 425 N 2.70 -0.67 3.85 0.21 0.00 -0.91 -4.98 105.19 105.40 2bud n GLY 425 Ca 0.09 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.71 3.67 -0.02 1.61 0.52 -1.26 -0.67 118.94 119.08 2bud s TRP 426 Ca 0.00 0.78 -0.04 0.00 0.02 0.00 0.00 56.10 56.86 2bud s TRP 426 Cb 0.00 -2.14 0.00 0.00 -1.15 0.00 0.00 33.47 30.19 2bud s TRP 426 CO 0.00 0.68 0.10 0.14 0.02 0.00 0.00 176.95 177.89 2bud s VAL 427 N -1.03 0.04 0.67 4.03 -7.23 -0.92 -4.95 120.40 111.01 2bud s VAL 427 Ca 0.20 -0.36 -0.17 0.00 -1.81 0.00 0.00 61.98 59.84 2bud s VAL 427 Cb -0.15 -0.26 -0.00 0.00 0.56 0.00 0.00 36.38 36.53 2bud s VAL 427 CO 0.09 -0.20 1.20 0.61 -0.31 0.00 0.00 175.10 176.50 2bud n GLY 428 N 2.30 0.25 0.35 2.32 0.00 -1.26 -2.63 105.19 106.53 2bud n GLY 428 Ca -0.17 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 0.24 0.75 -0.85 1.61 9.65 -1.89 0.08 114.38 123.97 2bud h ARG 429 Ca -0.50 -0.05 0.24 0.00 -1.10 0.00 0.00 59.98 58.58 2bud h ARG 429 Cb 1.34 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 29.71 2bud h ARG 429 CO 0.51 0.50 0.60 1.12 2.80 0.00 0.00 179.97 185.50 2bud h HIS 430 N 0.77 0.10 0.22 2.20 2.07 -1.97 -0.57 115.15 117.98 2bud h HIS 430 Ca 0.57 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.77 2bud h HIS 430 Cb 0.86 -0.03 0.03 0.00 2.57 0.00 0.00 27.41 30.84 2bud h HIS 430 CO -0.01 0.03 -1.43 0.00 -3.07 0.00 0.00 177.93 173.44 2bud h ARG 431 N 0.08 0.47 -6.02 5.12 3.08 -1.31 -3.45 114.38 112.34 2bud h ARG 431 Ca 0.41 -0.81 -0.56 0.00 0.07 0.00 0.00 59.98 59.09 2bud h ARG 431 Cb 1.53 0.30 -0.06 0.00 0.08 0.00 0.00 29.97 31.82 2bud h ARG 431 CO -0.04 1.39 0.02 0.42 -1.07 0.00 0.00 179.97 180.69 2bud s ILE 432 N -2.61 5.00 -0.21 2.04 1.01 -0.22 -2.18 121.20 124.01 2bud s ILE 432 Ca -0.08 1.31 -0.27 0.00 0.00 0.00 0.00 60.65 61.61 2bud s ILE 432 Cb 0.05 -3.97 0.09 0.00 0.01 0.00 0.00 42.46 38.64 2bud s ILE 432 CO 0.93 0.33 0.84 -0.44 0.00 0.00 0.00 174.94 176.60 2bud s SER 433 N 0.35 -0.60 0.00 3.58 0.01 -0.59 -4.86 113.70 111.59 2bud s SER 433 Ca 0.33 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.59 2bud s SER 433 Cb -0.18 0.95 0.00 0.00 0.21 0.00 0.00 66.02 67.01 2bud s SER 433 CO 0.17 -0.31 0.48 -0.90 0.41 0.00 0.00 173.24 173.09 2bud n ASP 434 N 1.92 0.45 -3.70 2.44 5.75 -1.26 -1.41 116.55 120.75 2bud n ASP 434 Ca -0.14 -1.41 -0.11 0.00 -0.01 0.00 0.00 54.79 53.12 2bud n ASP 434 Cb 0.56 -0.23 -0.10 0.00 -1.03 0.00 0.00 41.12 40.32 2bud n ASP 434 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2bud s ASN 435 N -0.65 -0.52 0.09 -1.12 2.47 -1.26 -4.93 114.94 109.02 2bud s ASN 435 Ca 0.00 0.92 -0.04 0.00 0.42 0.00 0.00 52.86 54.16 2bud s ASN 435 Cb 0.00 0.83 -0.24 0.00 -1.45 0.00 0.00 41.25 40.39 2bud s ASN 435 CO 0.00 -0.19 1.18 0.00 -3.72 0.00 0.00 177.10 174.37 2bud h ALA 436 N 6.70 0.15 -0.98 1.71 0.00 -1.85 -3.33 119.26 121.66 2bud h ALA 436 Ca -0.34 -0.85 0.23 0.00 0.00 0.00 0.00 54.91 53.95 2bud h ALA 436 Cb 1.18 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 2bud h ALA 436 CO 0.27 0.95 0.57 -0.44 0.00 0.00 0.00 179.25 180.59 2bud h ASP 437 N 0.10 0.64 -0.21 0.00 5.19 -1.96 0.38 116.42 120.57 2bud h ASP 437 Ca -0.12 0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.38 2bud h ASP 437 Cb 1.89 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 41.42 2bud h ASP 437 CO 0.20 0.12 0.04 0.44 -3.12 0.00 0.00 179.24 176.91 2bud h ASP 438 N 0.59 0.41 0.00 6.45 3.32 -1.97 -3.38 116.42 121.84 2bud h ASP 438 Ca 0.62 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.61 2bud h ASP 438 Cb 1.14 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2bud h ASP 438 CO -0.47 0.45 0.00 0.18 -1.72 0.00 0.00 179.24 177.69 2bud n LEU 439 N -4.33 0.80 -2.69 1.55 4.32 0.12 -5.01 117.00 111.76 2bud n LEU 439 Ca 0.01 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.94 2bud n LEU 439 Cb 0.20 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.07 2bud n LEU 439 CO 0.38 0.00 0.55 0.61 -1.22 0.00 0.00 177.39 177.71 2bud n GLY 440 N 2.82 0.20 7.00 -0.72 0.00 -0.61 -5.08 105.19 108.80 2bud n GLY 440 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.28 0.41 3.10 -0.02 0.00 -1.13 -4.23 105.19 103.03 2bud n GLY 441 Ca -0.10 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 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 2.45 -1.57 -0.61 -1.09 -1.26 -4.49 121.20 114.62 2bud s ILE 442 Ca 0.00 -1.64 -0.20 0.00 -2.23 0.00 0.00 60.65 56.58 2bud s ILE 442 Cb 0.00 -2.47 0.20 0.00 -1.58 0.00 0.00 42.46 38.61 2bud s ILE 442 CO 0.00 -0.12 0.50 1.07 -1.23 0.00 0.00 174.94 175.16 2bud n THR 443 N 4.47 0.00 -3.67 2.92 5.66 -0.58 -4.82 114.28 118.27 2bud n THR 443 Ca -0.12 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.77 2bud n THR 443 Cb 0.42 -0.42 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 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 -2.94 -0.42 0.00 1.08 1.01 -1.26 -4.80 120.40 113.07 2bud s VAL 444 Ca 0.70 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.88 2bud s VAL 444 Cb -0.41 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.43 2bud s VAL 444 CO 0.86 0.08 0.00 -0.11 0.00 0.00 0.00 175.10 175.93 2bud n LEU 445 N 5.12 0.00 -4.64 3.92 7.94 -1.26 -4.46 117.00 123.63 2bud n LEU 445 Ca -0.11 0.00 -0.46 0.00 -1.11 0.00 0.00 56.01 54.33 2bud n LEU 445 Cb 0.51 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.43 2bud n LEU 445 CO 0.03 0.00 0.87 -2.65 -1.11 0.00 0.00 177.39 174.54 2bud n PRO 446 N 0.00 1.72 -3.64 1.96 -0.02 -1.26 -4.53 135.00 129.22 2bud n PRO 446 Ca 0.00 0.61 -0.03 0.00 -2.02 0.00 0.00 63.50 62.06 2bud n PRO 446 Cb 0.00 -2.19 -0.07 0.00 -0.02 0.00 0.00 33.50 31.23 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 -0.27 -2.25 0.27 3.55 0.00 -1.26 -5.10 121.76 116.69 2bud s ALA 447 Ca 0.68 1.93 -0.30 0.00 0.00 0.00 0.00 51.96 54.26 2bud s ALA 447 Cb -0.71 -1.71 -0.13 0.00 0.00 0.00 0.00 23.12 20.57 2bud s ALA 447 CO 0.52 -0.24 1.36 -2.30 0.00 0.00 0.00 175.76 175.10 2bud n PRO 448 N 2.60 2.04 -1.85 0.00 -0.02 -1.26 -4.90 135.00 131.61 2bud n PRO 448 Ca -0.14 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 2bud n PRO 448 Cb 0.57 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 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 -0.84 4.17 0.21 0.52 0.04 -1.26 -4.93 135.00 132.92 2bud s PRO 449 Ca 0.64 2.48 -0.31 0.00 0.04 0.00 0.00 61.00 63.85 2bud s PRO 449 Cb -0.63 -3.09 -0.11 0.00 0.04 0.00 0.00 34.50 30.71 2bud s PRO 449 CO 0.53 -0.63 1.63 -0.48 0.04 0.00 0.00 177.00 178.10 2bud s LEU 450 N 0.51 4.37 0.13 -3.56 2.34 -1.26 -4.94 118.68 116.26 2bud s LEU 450 Ca 0.68 2.78 -0.31 0.00 0.06 0.00 0.00 54.13 57.35 2bud s LEU 450 Cb -0.46 -3.60 -0.08 0.00 -0.56 0.00 0.00 46.19 41.49 2bud s LEU 450 CO 0.37 -0.89 1.31 0.00 -1.06 0.00 0.00 176.35 176.08 2bud s ALA 451 N 0.90 3.52 0.21 1.48 0.00 -1.26 -4.96 121.76 121.65 2bud s ALA 451 Ca 0.70 1.04 -0.32 0.00 0.00 0.00 0.00 51.96 53.38 2bud s ALA 451 Cb -0.47 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 19.03 2bud s ALA 451 CO 0.35 -0.54 1.66 -2.30 0.00 0.00 0.00 175.76 174.94 2bud n PRO 452 N 3.53 2.59 0.00 0.00 -0.02 -1.26 -2.83 135.00 137.01 2bud n PRO 452 Ca 0.09 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 2bud n PRO 452 Cb 0.43 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 2bud n PRO 452 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2bud n ASP 453 N 3.57 0.00 0.00 2.55 2.03 -1.26 -5.34 116.55 118.10 2bud n ASP 453 Ca 0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.46 2bud n ASP 453 Cb 0.33 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 2bud n ASP 453 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95