#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bud s SER 364 N 0.00 -0.26 0.15 1.61 1.04 -1.26 -5.15 113.70 109.84 2bud s SER 364 Ca 0.00 0.41 -0.30 0.00 0.48 0.00 0.00 55.95 56.54 2bud s SER 364 Cb 0.00 1.10 -0.08 0.00 0.10 0.00 0.00 66.02 67.14 2bud s SER 364 CO 0.00 -0.07 1.27 -2.28 0.98 0.00 0.00 173.24 173.14 2bud s HIS 365 N 1.17 3.35 -0.30 5.02 5.65 -1.26 -5.00 115.29 123.91 2bud s HIS 365 Ca -0.08 1.25 -0.17 0.00 0.25 0.00 0.00 55.06 56.31 2bud s HIS 365 Cb -0.03 -3.53 0.18 0.00 -1.18 0.00 0.00 32.58 28.03 2bud s HIS 365 CO -0.12 -1.64 1.14 1.41 -0.65 0.00 0.00 174.74 174.88 2bud s MET 366 N 0.32 0.18 -0.50 2.88 -2.45 -1.26 -5.05 119.30 113.42 2bud s MET 366 Ca 0.57 0.36 -0.23 0.00 -1.25 0.00 0.00 55.69 55.14 2bud s MET 366 Cb -0.34 0.12 0.03 0.00 1.25 0.00 0.00 34.83 35.89 2bud s MET 366 CO 0.34 -0.05 0.64 -0.25 1.05 0.00 0.00 175.02 176.75 2bud n ASP 367 N 3.91 -6.62 -1.67 1.11 9.92 -1.26 -4.76 116.55 117.18 2bud n ASP 367 Ca -0.14 0.05 -0.00 0.00 -0.53 0.00 0.00 54.79 54.17 2bud n ASP 367 Cb 0.56 -3.47 -0.00 0.00 -0.64 0.00 0.00 41.12 37.57 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 -0.60 0.69 0.00 -0.24 -0.04 -1.26 -3.19 135.00 130.36 2bud n PRO 368 Ca -0.02 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2bud n PRO 368 Cb 0.58 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 1.68 0.00 -2.28 1.53 -0.00 -1.26 -4.96 117.00 111.71 2bud n LEU 369 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.77 2bud n LEU 369 Cb 0.34 0.05 -0.01 0.00 -0.00 0.00 0.00 43.42 43.80 2bud n LEU 369 CO 0.00 -0.05 1.44 0.80 -0.00 0.00 0.00 177.39 179.59 2bud n MET 370 N -1.27 2.21 -1.90 1.47 1.56 -1.19 -4.98 117.12 113.02 2bud n MET 370 Ca 0.00 -2.14 -0.40 0.00 -0.27 0.00 0.00 57.70 54.89 2bud n MET 370 Cb 0.00 -1.96 0.00 0.00 2.15 0.00 0.00 33.22 33.41 2bud n MET 370 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2bud s GLN 371 N -1.92 3.96 0.37 2.12 -0.21 -1.24 -4.93 119.66 117.81 2bud s GLN 371 Ca 0.49 2.37 -0.27 0.00 0.02 0.00 0.00 55.36 57.98 2bud s GLN 371 Cb 0.34 -2.82 -0.11 0.00 1.00 0.00 0.00 33.01 31.42 2bud s GLN 371 CO -0.14 -0.58 1.25 0.36 -2.12 0.00 0.00 175.29 174.06 2bud n LYS 372 N 0.19 1.97 -1.73 2.91 2.85 -1.26 -4.89 118.16 118.20 2bud n LYS 372 Ca 0.03 0.70 -0.42 0.00 -1.05 0.00 0.00 58.31 57.56 2bud n LYS 372 Cb 0.41 -2.30 -0.02 0.00 -0.65 0.00 0.00 35.03 32.47 2bud n LYS 372 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2bud n ILE 373 N 0.09 0.61 -3.15 0.58 5.41 -1.26 -4.96 119.36 116.68 2bud n ILE 373 Ca 0.06 -0.15 -0.39 0.00 1.00 0.00 0.00 62.75 63.26 2bud n ILE 373 Cb 0.37 -1.97 -0.05 0.00 -0.71 0.00 0.00 39.64 37.28 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 0.76 6.84 -0.10 4.38 1.11 -1.26 -4.95 116.67 123.45 2bud s ASP 374 Ca 0.69 1.01 0.06 0.00 0.18 0.00 0.00 52.55 54.48 2bud s ASP 374 Cb -0.50 -2.36 -0.24 0.00 1.07 0.00 0.00 42.92 40.89 2bud s ASP 374 CO 0.42 -0.10 0.46 -0.38 1.18 0.00 0.00 175.17 176.75 2bud n ILE 375 N 3.89 1.64 -0.90 0.77 5.41 -1.26 -4.51 119.36 124.41 2bud n ILE 375 Ca -0.03 -0.74 -0.28 0.00 1.00 0.00 0.00 62.75 62.69 2bud n ILE 375 Cb 0.51 -1.23 -0.03 0.00 -0.71 0.00 0.00 39.64 38.19 2bud n ILE 375 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2bud n SER 376 N -3.17 4.69 0.00 4.38 2.88 -1.26 -2.04 113.62 119.10 2bud n SER 376 Ca -0.25 -2.43 0.00 0.00 -1.33 0.00 0.00 58.87 54.86 2bud n SER 376 Cb 1.06 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 2bud n SER 376 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2bud n GLU 377 N 4.79 0.00 -2.81 -1.46 0.28 -1.26 -5.01 120.64 115.16 2bud n GLU 377 Ca 0.48 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.38 2bud n GLU 377 Cb 0.20 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.13 2bud n GLU 377 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2bud n ASN 378 N -0.20 -1.95 -0.33 -1.84 5.03 -0.87 -5.00 115.26 110.09 2bud n ASN 378 Ca 0.00 -3.50 0.09 0.00 0.87 0.00 0.00 54.58 52.04 2bud n ASN 378 Cb 0.00 1.49 0.25 0.00 -1.02 0.00 0.00 39.78 40.50 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 3.24 0.74 -0.11 3.52 0.11 -1.92 -1.22 132.00 136.37 2bud h PRO 379 Ca -0.08 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.87 2bud h PRO 379 Cb 1.06 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 2bud h PRO 379 CO 0.23 0.49 -0.48 -0.44 -0.21 0.00 0.00 178.00 177.60 2bud h ASP 380 N 0.76 0.29 -1.36 -2.05 3.32 -1.94 -3.45 116.42 111.99 2bud h ASP 380 Ca 0.50 -0.14 -0.75 0.00 0.02 0.00 0.00 57.03 56.67 2bud h ASP 380 Cb 0.67 -0.08 0.04 0.00 0.22 0.00 0.00 39.33 40.18 2bud h ASP 380 CO -0.34 0.72 0.43 1.17 -1.72 0.00 0.00 179.24 179.51 2bud n LYS 381 N -3.97 0.64 -3.04 3.56 4.81 -0.46 -4.90 118.16 114.80 2bud n LYS 381 Ca -0.02 0.23 -0.40 0.00 -0.87 0.00 0.00 58.31 57.25 2bud n LYS 381 Cb 0.53 -1.82 -0.05 0.00 0.02 0.00 0.00 35.03 33.71 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 1.16 5.01 -0.01 3.15 -1.09 -1.26 -4.75 121.20 123.41 2bud s ILE 382 Ca 0.91 1.41 0.01 0.00 -2.23 0.00 0.00 60.65 60.75 2bud s ILE 382 Cb -1.14 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 35.67 2bud s ILE 382 CO 0.58 0.17 0.00 -0.31 -1.23 0.00 0.00 174.94 174.15 2bud s TYR 383 N 1.35 3.09 0.01 3.97 1.51 -0.86 -4.91 117.35 121.51 2bud s TYR 383 Ca 0.35 0.10 -0.17 0.00 -1.01 0.00 0.00 57.07 56.33 2bud s TYR 383 Cb -0.17 -1.69 -0.06 0.00 -0.11 0.00 0.00 41.96 39.94 2bud s TYR 383 CO 0.15 0.46 0.49 -0.06 -1.11 0.00 0.00 175.55 175.48 2bud s PHE 384 N -1.06 3.73 -0.12 2.71 0.40 -1.13 0.56 117.98 123.07 2bud s PHE 384 Ca 0.19 1.10 0.03 0.00 -0.60 0.00 0.00 56.93 57.64 2bud s PHE 384 Cb -0.11 -2.43 0.01 0.00 0.51 0.00 0.00 43.02 41.00 2bud s PHE 384 CO 0.09 0.54 -0.21 0.42 0.70 0.00 0.00 175.22 176.76 2bud s ILE 385 N -0.79 1.91 -0.22 0.64 1.09 -0.07 -1.98 121.20 121.78 2bud s ILE 385 Ca 0.26 -0.91 -0.19 0.00 -1.10 0.00 0.00 60.65 58.72 2bud s ILE 385 Cb -0.18 -1.69 -0.03 0.00 -1.06 0.00 0.00 42.46 39.51 2bud s ILE 385 CO 0.15 0.52 0.53 -0.60 -0.10 0.00 0.00 174.94 175.45 2bud s ARG 386 N 0.68 4.15 0.79 2.79 3.52 -0.56 -0.59 118.95 129.72 2bud s ARG 386 Ca -0.11 0.41 -0.10 0.00 -0.13 0.00 0.00 55.73 55.80 2bud s ARG 386 Cb -0.16 -3.60 0.10 0.00 -1.56 0.00 0.00 34.95 29.73 2bud s ARG 386 CO 0.02 -0.24 1.12 1.03 -0.81 0.00 0.00 175.30 176.43 2bud s ARG 387 N 1.93 1.78 0.00 5.12 0.52 -0.99 -4.70 118.95 122.60 2bud s ARG 387 Ca 0.24 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 2bud s ARG 387 Cb -0.15 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.26 2bud s ARG 387 CO 0.09 -1.60 0.91 0.39 0.02 0.00 0.00 175.30 175.11 2bud n GLU 388 N -3.20 0.00 -0.61 3.54 1.02 -1.26 -1.60 120.64 118.52 2bud n GLU 388 Ca 0.10 0.58 0.48 0.00 -0.02 0.00 0.00 57.16 58.30 2bud n GLU 388 Cb 0.60 -1.41 0.78 0.00 -0.02 0.00 0.00 31.44 31.40 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 0.06 0.00 1.62 3.04 -2.05 -3.43 116.42 115.66 2bud h ASP 389 Ca 0.00 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.83 2bud h ASP 389 Cb 0.00 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.33 2bud h ASP 389 CO 0.00 -0.06 0.00 0.61 -2.04 0.00 0.00 179.24 177.75 2bud n GLY 390 N -1.81 1.05 3.19 7.15 0.00 -0.63 -5.11 105.19 109.04 2bud n GLY 390 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 2bud n GLY 390 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bud s THR 391 N -2.00 3.09 0.31 2.61 -4.23 -1.25 -4.81 115.64 109.35 2bud s THR 391 Ca 0.00 -1.27 -0.29 0.00 -1.18 0.00 0.00 61.69 58.95 2bud s THR 391 Cb 0.00 -2.73 -0.10 0.00 1.34 0.00 0.00 72.50 71.01 2bud s THR 391 CO 0.00 -0.05 1.14 -0.69 -0.54 0.00 0.00 174.62 174.48 2bud s VAL 392 N 1.29 3.31 -0.12 2.29 1.01 -1.26 -2.35 120.40 124.58 2bud s VAL 392 Ca -0.04 1.28 -0.08 0.00 0.00 0.00 0.00 61.98 63.14 2bud s VAL 392 Cb -0.19 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.43 2bud s VAL 392 CO -0.01 0.28 0.30 -1.00 0.00 0.00 0.00 175.10 174.66 2bud s HIS 393 N -1.21 -0.38 0.65 5.22 3.76 0.24 -4.14 115.29 119.43 2bud s HIS 393 Ca 0.47 0.88 -0.18 0.00 -0.15 0.00 0.00 55.06 56.08 2bud s HIS 393 Cb -0.33 0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.46 2bud s HIS 393 CO 0.42 -0.22 1.18 0.54 -0.85 0.00 0.00 174.74 175.82 2bud n ARG 394 N 3.67 0.98 -3.65 1.40 1.74 -1.26 -0.89 116.66 118.65 2bud n ARG 394 Ca -0.20 0.39 -0.02 0.00 -0.77 0.00 0.00 57.85 57.25 2bud n ARG 394 Cb 0.56 -2.41 -0.06 0.00 -1.02 0.00 0.00 32.46 29.52 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 -1.39 0.20 -0.41 -0.13 0.00 0.19 -3.66 107.32 102.12 2bud s GLY 395 Ca 0.80 3.33 -0.20 0.00 0.00 0.00 0.00 44.72 48.65 2bud s GLY 395 CO 0.43 2.50 0.63 1.20 0.00 0.00 0.00 173.10 177.86 2bud s GLN 396 N 1.01 3.41 0.22 2.90 -0.21 -0.47 -2.02 119.66 124.50 2bud s GLN 396 Ca -0.06 -0.25 -0.30 0.00 0.02 0.00 0.00 55.36 54.77 2bud s GLN 396 Cb -0.03 -3.90 -0.10 0.00 1.00 0.00 0.00 33.01 29.98 2bud s GLN 396 CO -0.12 -0.91 1.42 0.08 -2.12 0.00 0.00 175.29 173.63 2bud s VAL 397 N 2.76 2.82 -0.01 1.09 1.01 -1.26 -1.99 120.40 124.82 2bud s VAL 397 Ca 0.23 0.67 -0.00 0.00 0.00 0.00 0.00 61.98 62.88 2bud s VAL 397 Cb -0.14 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2bud s VAL 397 CO 0.17 0.10 -0.01 0.18 0.00 0.00 0.00 175.10 175.54 2bud n LEU 398 N 2.65 1.69 -4.59 3.92 4.77 -1.13 -4.96 117.00 119.35 2bud n LEU 398 Ca 0.08 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.79 2bud n LEU 398 Cb 0.41 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 2bud n LEU 398 CO 0.60 0.30 -0.25 -1.10 -1.33 0.00 0.00 177.39 175.61 2bud s GLN 399 N -2.02 1.94 -0.20 3.23 -0.21 -1.26 -4.98 119.66 116.15 2bud s GLN 399 Ca -0.02 -2.16 -0.28 0.00 0.02 0.00 0.00 55.36 52.93 2bud s GLN 399 Cb 0.01 -1.16 0.11 0.00 1.00 0.00 0.00 33.01 32.96 2bud s GLN 399 CO 0.03 -0.28 0.92 -1.54 -2.12 0.00 0.00 175.29 172.30 2bud s SER 400 N -3.68 -0.50 -0.24 5.90 1.04 -1.26 -0.70 113.70 114.27 2bud s SER 400 Ca 0.24 0.77 -0.17 0.00 0.48 0.00 0.00 55.95 57.27 2bud s SER 400 Cb 0.05 0.71 0.07 0.00 0.10 0.00 0.00 66.02 66.95 2bud s SER 400 CO 0.12 -0.30 0.60 0.00 0.98 0.00 0.00 173.24 174.64 2bud s ARG 401 N -0.43 0.65 -0.19 4.02 1.70 -0.11 -4.98 118.95 119.62 2bud s ARG 401 Ca -0.01 0.96 -0.00 0.00 -0.47 0.00 0.00 55.73 56.21 2bud s ARG 401 Cb -0.03 0.21 0.14 0.00 -0.57 0.00 0.00 34.95 34.71 2bud s ARG 401 CO 0.00 -0.12 1.90 0.25 -1.08 0.00 0.00 175.30 176.25 2bud n THR 402 N 3.54 2.36 -2.31 4.99 -2.24 -1.26 -0.80 114.28 118.57 2bud n THR 402 Ca -0.18 -1.13 0.04 0.00 -2.27 0.00 0.00 64.05 60.51 2bud n THR 402 Cb 0.57 -1.31 -0.01 0.00 -2.10 0.00 0.00 70.33 67.48 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 0.66 0.00 -0.08 4.28 -1.04 -1.26 -3.70 114.28 113.14 2bud n THR 403 Ca 0.19 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.13 2bud n THR 403 Cb 0.59 -0.09 -0.00 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.05 -5.78 -2.82 3.07 -1.97 -3.38 114.58 103.75 2bud h GLU 404 Ca 0.01 -0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.25 2bud h GLU 404 Cb 0.24 -0.01 -0.11 0.00 -0.84 0.00 0.00 28.75 28.03 2bud h GLU 404 CO 0.00 0.03 0.38 1.21 -1.40 0.00 0.00 179.01 179.23 2bud s ASN 405 N -5.23 6.58 -0.73 1.42 2.47 -1.25 -4.95 114.94 113.25 2bud s ASN 405 Ca -0.13 0.43 -0.03 0.00 0.42 0.00 0.00 52.86 53.55 2bud s ASN 405 Cb 0.12 -2.40 0.20 0.00 -1.45 0.00 0.00 41.25 37.72 2bud s ASN 405 CO 0.70 -0.70 2.38 0.00 -3.72 0.00 0.00 177.10 175.75 2bud n ALA 406 N 6.37 6.49 0.00 1.71 0.00 -1.24 -3.74 120.51 130.09 2bud n ALA 406 Ca 0.03 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.79 2bud n ALA 406 Cb 0.48 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 0.35 1.50 0.01 0.00 0.00 -1.26 -4.96 120.51 116.15 2bud n ALA 407 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2bud n ALA 407 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.81 0.00 -1.36 0.00 0.00 -1.26 -5.14 120.51 111.94 2bud n ALA 408 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 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 -2.50 0.40 -3.65 0.00 -0.02 -1.24 -5.02 135.00 122.97 2bud n PRO 409 Ca 0.00 0.17 -0.03 0.00 -2.02 0.00 0.00 63.50 61.62 2bud n PRO 409 Cb 0.00 -1.77 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.33 -0.17 -0.14 2.55 -4.77 -1.26 -4.26 116.67 107.29 2bud s ASP 410 Ca 0.67 0.31 -0.11 0.00 -3.30 0.00 0.00 52.55 50.12 2bud s ASP 410 Cb -0.39 0.53 0.04 0.00 -1.09 0.00 0.00 42.92 42.01 2bud s ASP 410 CO 0.56 -0.05 0.37 -1.61 0.70 0.00 0.00 175.17 175.14 2bud s GLU 411 N 0.37 0.39 -0.15 2.11 2.02 0.02 -4.36 118.70 119.11 2bud s GLU 411 Ca 0.02 0.59 0.00 0.00 0.02 0.00 0.00 54.97 55.61 2bud s GLU 411 Cb -0.04 0.10 -0.01 0.00 0.10 0.00 0.00 34.13 34.28 2bud s GLU 411 CO -0.13 -0.10 -0.14 0.71 0.02 0.00 0.00 175.26 175.62 2bud s TYR 412 N 0.67 2.79 0.41 1.61 1.51 -0.72 -0.93 117.35 122.69 2bud s TYR 412 Ca -0.04 -0.93 -0.26 0.00 -1.01 0.00 0.00 57.07 54.83 2bud s TYR 412 Cb -0.05 -1.88 -0.09 0.00 -0.11 0.00 0.00 41.96 39.83 2bud s TYR 412 CO -0.04 -0.41 1.30 -0.47 -1.11 0.00 0.00 175.55 174.82 2bud s TYR 413 N 0.71 2.82 -0.03 2.71 5.04 0.12 -0.68 117.35 128.04 2bud s TYR 413 Ca -0.07 1.41 0.04 0.00 -2.44 0.00 0.00 57.07 56.02 2bud s TYR 413 Cb -0.15 -3.66 -0.00 0.00 0.35 0.00 0.00 41.96 38.49 2bud s TYR 413 CO 0.02 -2.08 -0.14 0.08 -1.34 0.00 0.00 175.55 172.08 2bud s VAL 414 N -1.27 1.19 -0.51 3.14 1.01 -0.83 -2.84 120.40 120.29 2bud s VAL 414 Ca 0.57 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2bud s VAL 414 Cb -0.38 -1.02 0.13 0.00 0.00 0.00 0.00 36.38 35.11 2bud s VAL 414 CO 0.48 0.35 0.26 -2.28 0.00 0.00 0.00 175.10 173.91 2bud s HIS 415 N -0.04 3.08 0.16 5.22 2.46 -0.84 -2.90 115.29 122.42 2bud s HIS 415 Ca -0.01 -3.11 -0.33 0.00 0.47 0.00 0.00 55.06 52.08 2bud s HIS 415 Cb -0.09 -2.73 -0.13 0.00 -0.13 0.00 0.00 32.58 29.49 2bud s HIS 415 CO 0.01 -0.74 1.64 0.66 -2.47 0.00 0.00 174.74 173.83 2bud n TYR 416 N 3.13 2.40 0.11 3.88 4.02 -1.26 -1.37 117.16 128.07 2bud n TYR 416 Ca 0.06 0.19 -0.04 0.00 -0.01 0.00 0.00 57.90 58.09 2bud n TYR 416 Cb 0.32 -2.59 0.02 0.00 -0.02 0.00 0.00 39.34 37.08 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 3.68 1.72 0.00 -0.72 0.31 -1.24 -4.13 118.33 117.96 2bud n VAL 417 Ca 0.17 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2bud n VAL 417 Cb 0.30 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 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 0.64 0.01 3.68 2.92 0.00 -1.26 -5.09 105.19 106.09 2bud n GLY 418 Ca 0.09 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.79 4.12 -4.54 0.99 7.99 -1.26 -4.90 117.00 118.62 2bud n LEU 419 Ca 0.00 0.55 -0.42 0.00 -0.01 0.00 0.00 56.01 56.13 2bud n LEU 419 Cb 0.00 -1.50 0.01 0.00 -0.11 0.00 0.00 43.42 41.82 2bud n LEU 419 CO 0.00 -1.82 0.35 0.59 -1.51 0.00 0.00 177.39 175.00 2bud n ASN 420 N -3.44 0.28 -0.34 -1.43 3.02 -1.26 -4.84 115.26 107.25 2bud n ASN 420 Ca 0.13 0.98 0.04 0.00 -0.03 0.00 0.00 54.58 55.70 2bud n ASN 420 Cb 0.51 -1.24 0.22 0.00 -0.61 0.00 0.00 39.78 38.65 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 1.18 1.05 -0.19 3.52 3.08 -1.95 -0.52 114.38 120.56 2bud h ARG 421 Ca -0.42 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.54 2bud h ARG 421 Cb 1.37 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 2bud h ARG 421 CO 0.54 0.70 0.00 0.07 -1.07 0.00 0.00 179.97 180.21 2bud h ARG 422 N 1.08 0.27 -0.21 0.04 0.11 -2.03 -1.81 114.38 111.82 2bud h ARG 422 Ca 0.43 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.45 2bud h ARG 422 Cb 0.25 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 2bud h ARG 422 CO -0.18 0.29 0.05 1.25 0.10 0.00 0.00 179.97 181.49 2bud h LEU 423 N 0.26 0.27 -9.26 0.08 5.85 -1.42 -3.43 115.31 107.66 2bud h LEU 423 Ca 0.06 -0.02 -0.68 0.00 0.84 0.00 0.00 57.88 58.07 2bud h LEU 423 Cb 0.18 -0.07 0.05 0.00 0.37 0.00 0.00 40.66 41.19 2bud h LEU 423 CO 0.00 0.28 0.49 0.47 -0.34 0.00 0.00 178.44 179.35 2bud n ASP 424 N -4.41 1.71 -3.60 1.25 8.00 -0.68 -4.92 116.55 113.89 2bud n ASP 424 Ca 0.00 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.62 2bud n ASP 424 Cb 0.15 -1.19 -0.01 0.00 -0.02 0.00 0.00 41.12 40.05 2bud n ASP 424 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2bud s GLY 425 N 0.76 -0.36 0.03 0.44 0.00 -1.14 -5.01 107.32 102.04 2bud s GLY 425 Ca 0.86 1.27 -0.30 0.00 0.00 0.00 0.00 44.72 46.54 2bud s GLY 425 CO 0.48 0.35 1.21 -0.98 0.00 0.00 0.00 173.10 174.16 2bud s TRP 426 N -2.19 3.34 0.17 1.90 0.52 -1.26 -1.96 118.94 119.46 2bud s TRP 426 Ca 0.13 1.26 0.11 0.00 0.02 0.00 0.00 56.10 57.62 2bud s TRP 426 Cb 0.03 -3.43 -0.04 0.00 -1.15 0.00 0.00 33.47 28.88 2bud s TRP 426 CO -0.04 -1.33 -0.25 0.14 0.02 0.00 0.00 176.95 175.49 2bud s VAL 427 N 1.43 2.34 0.59 4.03 -7.23 0.14 -4.87 120.40 116.83 2bud s VAL 427 Ca 0.58 -1.93 -0.19 0.00 -1.81 0.00 0.00 61.98 58.63 2bud s VAL 427 Cb -0.28 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2bud s VAL 427 CO 0.27 -0.04 1.12 0.61 -0.31 0.00 0.00 175.10 176.75 2bud n GLY 428 N 0.50 0.09 0.32 2.32 0.00 -1.26 -1.75 105.19 105.40 2bud n GLY 428 Ca -0.14 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.76 0.53 -0.44 1.61 9.65 -1.91 0.18 114.38 124.75 2bud h ARG 429 Ca -0.49 -0.03 0.13 0.00 -1.10 0.00 0.00 59.98 58.49 2bud h ARG 429 Cb 1.35 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.79 2bud h ARG 429 CO 0.53 0.35 0.36 1.12 2.80 0.00 0.00 179.97 185.13 2bud h HIS 430 N 0.55 0.00 0.14 2.20 2.07 -1.96 -2.01 115.15 116.15 2bud h HIS 430 Ca 0.53 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.75 2bud h HIS 430 Cb 0.88 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.88 2bud h HIS 430 CO -0.09 0.00 -1.27 0.00 -3.07 0.00 0.00 177.93 173.50 2bud h ARG 431 N 0.00 0.50 -5.94 5.12 3.08 -1.23 -3.45 114.38 112.46 2bud h ARG 431 Ca 0.21 -0.73 -0.57 0.00 0.07 0.00 0.00 59.98 58.96 2bud h ARG 431 Cb 0.92 0.25 -0.06 0.00 0.08 0.00 0.00 29.97 31.16 2bud h ARG 431 CO -0.00 1.33 -0.00 0.42 -1.07 0.00 0.00 179.97 180.65 2bud s ILE 432 N -2.85 5.08 -0.28 2.04 1.01 -0.76 -1.50 121.20 123.94 2bud s ILE 432 Ca -0.08 1.26 -0.25 0.00 0.00 0.00 0.00 60.65 61.58 2bud s ILE 432 Cb 0.06 -3.95 0.12 0.00 0.01 0.00 0.00 42.46 38.70 2bud s ILE 432 CO 0.92 0.30 1.03 -0.44 0.00 0.00 0.00 174.94 176.75 2bud s SER 433 N 0.61 -0.44 0.33 3.58 0.01 -0.84 -4.91 113.70 112.04 2bud s SER 433 Ca 0.33 0.84 0.25 0.00 1.31 0.00 0.00 55.95 58.68 2bud s SER 433 Cb -0.17 0.85 1.17 0.00 0.21 0.00 0.00 66.02 68.08 2bud s SER 433 CO 0.15 -0.16 1.76 -2.24 0.41 0.00 0.00 173.24 173.17 2bud h ASP 434 N 4.12 0.00 -3.32 2.44 2.03 -1.92 -3.00 116.42 116.77 2bud h ASP 434 Ca -0.28 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.38 2bud h ASP 434 Cb 1.18 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.47 2bud h ASP 434 CO 0.12 0.00 -0.66 0.20 -1.03 0.00 0.00 179.24 177.87 2bud s ASN 435 N -4.37 4.89 0.16 4.15 -0.87 -1.26 -4.86 114.94 112.79 2bud s ASN 435 Ca 0.01 -0.09 -0.01 0.00 -1.57 0.00 0.00 52.86 51.20 2bud s ASN 435 Cb 0.08 -1.76 0.00 0.00 -0.02 0.00 0.00 41.25 39.56 2bud s ASN 435 CO 0.34 0.19 1.38 0.00 -2.57 0.00 0.00 177.10 176.44 2bud h ALA 436 N 6.55 0.51 -0.97 0.60 0.00 -1.86 -3.27 119.26 120.83 2bud h ALA 436 Ca -0.33 -0.66 0.13 0.00 0.00 0.00 0.00 54.91 54.04 2bud h ALA 436 Cb 1.19 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 2bud h ALA 436 CO 0.63 0.81 0.59 -0.44 0.00 0.00 0.00 179.25 180.84 2bud h ASP 437 N 0.22 0.84 0.39 0.00 5.19 -1.95 0.14 116.42 121.25 2bud h ASP 437 Ca -0.05 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 2bud h ASP 437 Cb 1.43 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.83 2bud h ASP 437 CO 0.14 0.43 -0.02 0.44 -3.12 0.00 0.00 179.24 177.10 2bud h ASP 438 N 0.91 0.00 0.00 6.45 3.32 -1.96 -3.38 116.42 121.76 2bud h ASP 438 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 2bud h ASP 438 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2bud h ASP 438 CO -0.29 0.02 0.00 0.18 -1.72 0.00 0.00 179.24 177.44 2bud n LEU 439 N -3.23 0.12 -2.69 1.55 4.32 0.44 -5.03 117.00 112.49 2bud n LEU 439 Ca -0.02 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.91 2bud n LEU 439 Cb 0.18 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.06 2bud n LEU 439 CO 0.25 0.00 0.54 0.61 -1.22 0.00 0.00 177.39 177.57 2bud n GLY 440 N 2.93 0.80 7.00 -0.72 0.00 -0.85 -5.02 105.19 109.32 2bud n GLY 440 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.58 2.14 2.45 -0.02 0.00 -1.10 -3.81 105.19 104.26 2bud n GLY 441 Ca -0.09 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 2bud n GLY 441 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bud n ILE 442 N 0.00 1.33 -4.26 -0.61 2.08 -1.26 -4.63 119.36 112.01 2bud n ILE 442 Ca 0.00 -4.90 -0.33 0.00 0.56 0.00 0.00 62.75 58.08 2bud n ILE 442 Cb 0.00 -1.57 -0.08 0.00 -0.75 0.00 0.00 39.64 37.24 2bud n ILE 442 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2bud n THR 443 N 0.62 -1.21 -3.05 1.39 5.66 -1.25 -4.87 114.28 111.57 2bud n THR 443 Ca 0.27 -0.50 -0.15 0.00 -3.05 0.00 0.00 64.05 60.61 2bud n THR 443 Cb 0.48 -1.16 0.01 0.00 -1.55 0.00 0.00 70.33 68.11 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 -4.60 -0.13 -1.54 1.08 3.14 -1.26 -4.92 118.33 110.09 2bud n VAL 444 Ca -0.29 -3.65 -0.40 0.00 -2.96 0.00 0.00 64.34 57.04 2bud n VAL 444 Cb 0.67 0.24 0.02 0.00 -1.06 0.00 0.00 33.84 33.71 2bud n VAL 444 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2bud n LEU 445 N 0.33 1.74 -4.52 6.55 4.77 -1.26 -4.85 117.00 119.76 2bud n LEU 445 Ca 0.19 0.91 -0.43 0.00 -0.03 0.00 0.00 56.01 56.65 2bud n LEU 445 Cb 0.67 -1.26 -0.00 0.00 -2.33 0.00 0.00 43.42 40.49 2bud n LEU 445 CO 0.16 -2.21 0.32 -2.65 -1.33 0.00 0.00 177.39 171.68 2bud n PRO 446 N 0.05 0.90 -3.66 3.23 -0.02 -1.26 -5.01 135.00 129.22 2bud n PRO 446 Ca 0.11 0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 2bud n PRO 446 Cb 0.42 -1.65 -0.08 0.00 -0.02 0.00 0.00 33.50 32.18 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 -1.23 -1.58 0.22 3.55 0.00 -1.26 -5.15 121.76 116.31 2bud s ALA 447 Ca 0.62 1.85 -0.32 0.00 0.00 0.00 0.00 51.96 54.11 2bud s ALA 447 Cb -0.67 -1.08 -0.12 0.00 0.00 0.00 0.00 23.12 21.25 2bud s ALA 447 CO 0.58 -0.31 1.64 -2.30 0.00 0.00 0.00 175.76 175.37 2bud n PRO 448 N 2.96 2.59 -2.08 0.00 -0.02 -1.26 -4.96 135.00 132.23 2bud n PRO 448 Ca -0.15 0.93 -0.38 0.00 -2.02 0.00 0.00 63.50 61.88 2bud n PRO 448 Cb 0.56 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 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 0.55 3.73 0.52 0.52 0.04 -1.26 -4.96 135.00 134.15 2bud s PRO 449 Ca 0.72 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 63.58 2bud s PRO 449 Cb -0.55 -2.53 -0.07 0.00 0.04 0.00 0.00 34.50 31.39 2bud s PRO 449 CO 0.39 -0.65 0.96 1.47 0.04 0.00 0.00 177.00 179.20 2bud n LEU 450 N -0.33 3.04 -1.48 -3.56 -0.00 -1.26 -4.63 117.00 108.79 2bud n LEU 450 Ca 0.06 0.90 0.00 0.00 -0.00 0.00 0.00 56.01 56.97 2bud n LEU 450 Cb 0.46 -1.36 0.00 0.00 -0.00 0.00 0.00 43.42 42.51 2bud n LEU 450 CO 0.52 -1.77 -0.38 0.00 -0.00 0.00 0.00 177.39 175.76 2bud n ALA 451 N -1.20 -2.25 -2.00 1.47 0.00 -1.26 -4.88 120.51 110.40 2bud n ALA 451 Ca 0.11 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.52 2bud n ALA 451 Cb 0.44 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.48 4.33 -0.30 0.00 0.04 -1.26 -5.00 135.00 130.32 2bud s PRO 452 Ca 0.00 2.15 -0.16 0.00 0.04 0.00 0.00 61.00 63.03 2bud s PRO 452 Cb 0.00 -3.18 0.18 0.00 0.04 0.00 0.00 34.50 31.54 2bud s PRO 452 CO 0.00 -0.37 1.14 0.34 0.04 0.00 0.00 177.00 178.15 2bud s ASP 453 N 0.58 -0.28 0.00 6.66 -1.08 -1.26 -5.22 116.67 116.07 2bud s ASP 453 Ca 0.60 0.42 0.16 0.00 -0.52 0.00 0.00 52.55 53.22 2bud s ASP 453 Cb -0.39 1.20 0.97 0.00 -1.46 0.00 0.00 42.92 43.24 2bud s ASP 453 CO 0.37 -0.06 1.38 1.67 0.52 0.00 0.00 175.17 179.05