#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 -1.62 -3.64 1.61 7.64 -1.26 -5.12 113.62 111.23 2bud n SER 364 Ca 0.00 -2.33 -0.07 0.00 1.01 0.00 0.00 58.87 57.47 2bud n SER 364 Cb 0.00 0.82 -0.07 0.00 -1.01 0.00 0.00 64.21 63.95 2bud n SER 364 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2bud s HIS 365 N 0.10 -0.42 0.16 1.43 -0.00 -1.26 -4.93 115.29 110.37 2bud s HIS 365 Ca 0.15 1.00 -0.32 0.00 -0.00 0.00 0.00 55.06 55.89 2bud s HIS 365 Cb 0.43 0.38 -0.10 0.00 -0.00 0.00 0.00 32.58 33.28 2bud s HIS 365 CO -0.11 -0.20 1.56 -1.64 -0.00 0.00 0.00 174.74 174.35 2bud s MET 366 N 0.35 4.22 0.31 -0.38 -1.94 -1.26 -4.61 119.30 115.99 2bud s MET 366 Ca 0.02 2.34 0.00 0.00 -1.71 0.00 0.00 55.69 56.35 2bud s MET 366 Cb -0.05 -3.17 0.00 0.00 2.01 0.00 0.00 34.83 33.62 2bud s MET 366 CO -0.09 -0.60 0.00 -0.25 -0.01 0.00 0.00 175.02 174.07 2bud n ASP 367 N 4.02 -8.97 -1.55 3.03 9.92 -1.26 -4.52 116.55 117.22 2bud n ASP 367 Ca 0.14 1.39 -0.00 0.00 -0.53 0.00 0.00 54.79 55.79 2bud n ASP 367 Cb 0.39 -5.05 -0.01 0.00 -0.64 0.00 0.00 41.12 35.82 2bud n ASP 367 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2bud n PRO 368 N 1.06 0.96 -0.95 -0.24 -0.04 -1.26 -3.25 135.00 131.27 2bud n PRO 368 Ca 0.00 -0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.42 2bud n PRO 368 Cb 0.00 -1.07 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.57 -0.05 -2.68 1.53 -0.00 -1.26 -4.97 117.00 111.13 2bud n LEU 369 Ca 0.01 -1.62 -0.05 0.00 -0.00 0.00 0.00 56.01 54.35 2bud n LEU 369 Cb 0.48 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.98 2bud n LEU 369 CO 0.00 0.90 0.54 0.80 -0.00 0.00 0.00 177.39 179.64 2bud n MET 370 N 0.14 0.31 -1.69 1.47 0.00 -1.20 -5.13 117.12 111.01 2bud n MET 370 Ca -0.08 -0.97 -0.43 0.00 0.00 0.00 0.00 57.70 56.23 2bud n MET 370 Cb 0.79 -0.48 -0.03 0.00 0.00 0.00 0.00 33.22 33.49 2bud n MET 370 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2bud n GLN 371 N 1.21 2.67 -1.58 2.12 6.02 -1.26 -4.77 117.38 121.79 2bud n GLN 371 Ca 0.01 0.97 -0.36 0.00 -0.01 0.00 0.00 57.00 57.61 2bud n GLN 371 Cb 0.71 -2.84 0.08 0.00 1.02 0.00 0.00 30.24 29.21 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 5.14 0.88 -1.59 -1.09 5.02 -1.26 -4.84 118.16 120.42 2bud n LYS 372 Ca 0.18 0.36 -0.55 0.00 -2.02 0.00 0.00 58.31 56.28 2bud n LYS 372 Cb 0.35 -2.49 -0.07 0.00 -0.02 0.00 0.00 35.03 32.81 2bud n LYS 372 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2bud n ILE 373 N -2.23 0.03 -3.94 -0.18 2.08 -1.26 -4.95 119.36 108.91 2bud n ILE 373 Ca 0.15 -0.01 -0.35 0.00 0.56 0.00 0.00 62.75 63.11 2bud n ILE 373 Cb 0.49 -0.67 -0.09 0.00 -0.75 0.00 0.00 39.64 38.62 2bud n ILE 373 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 2bud s ASP 374 N 0.76 5.82 -0.02 4.38 1.01 -1.26 -5.01 116.67 122.35 2bud s ASP 374 Ca 0.88 0.15 -0.18 0.00 0.71 0.00 0.00 52.55 54.11 2bud s ASP 374 Cb -1.05 -1.99 -0.33 0.00 1.01 0.00 0.00 42.92 40.56 2bud s ASP 374 CO 0.52 0.20 0.87 0.40 0.21 0.00 0.00 175.17 177.37 2bud h ILE 375 N 4.74 1.31 -0.33 0.77 2.04 -1.92 -3.30 117.51 120.82 2bud h ILE 375 Ca -0.39 -2.58 0.10 0.00 1.00 0.00 0.00 64.86 62.98 2bud h ILE 375 Cb 1.17 3.05 -0.01 0.00 -0.74 0.00 0.00 36.82 40.28 2bud h ILE 375 CO 0.71 0.76 0.68 -1.28 0.00 0.00 0.00 178.15 179.02 2bud h SER 376 N -0.12 0.00 -0.44 1.72 0.87 -1.95 0.47 113.55 114.10 2bud h SER 376 Ca -0.23 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.40 2bud h SER 376 Cb 1.91 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.81 2bud h SER 376 CO 0.19 0.00 0.10 -0.33 -0.53 0.00 0.00 176.83 176.26 2bud h GLU 377 N 0.00 0.23 -0.83 2.24 4.39 -2.00 -3.43 114.58 115.17 2bud h GLU 377 Ca 0.16 -0.01 0.16 0.00 0.34 0.00 0.00 59.36 60.01 2bud h GLU 377 Cb 1.51 -0.05 -0.22 0.00 -0.10 0.00 0.00 28.75 29.89 2bud h GLU 377 CO -0.00 0.15 -0.01 -0.80 -1.16 0.00 0.00 179.01 177.19 2bud s ASN 378 N -5.32 -0.85 0.11 1.42 0.02 0.16 -5.05 114.94 105.41 2bud s ASN 378 Ca -0.13 0.70 -0.13 0.00 -1.02 0.00 0.00 52.86 52.28 2bud s ASN 378 Cb 0.14 1.78 -0.11 0.00 0.02 0.00 0.00 41.25 43.08 2bud s ASN 378 CO 0.72 -0.16 1.37 -0.65 0.02 0.00 0.00 177.10 178.40 2bud h PRO 379 N 7.90 0.79 0.11 -0.60 0.11 -1.84 -3.30 132.00 135.17 2bud h PRO 379 Ca -0.18 -0.51 -0.27 0.00 0.11 0.00 0.00 66.00 65.15 2bud h PRO 379 Cb 1.15 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2bud h PRO 379 CO 0.08 1.14 -1.27 -0.44 -0.21 0.00 0.00 178.00 177.30 2bud h ASP 380 N 0.54 0.35 -1.36 -2.05 3.32 -1.94 -3.44 116.42 111.83 2bud h ASP 380 Ca 0.01 -0.39 -0.76 0.00 0.02 0.00 0.00 57.03 55.90 2bud h ASP 380 Cb 1.12 -0.11 0.03 0.00 0.22 0.00 0.00 39.33 40.59 2bud h ASP 380 CO 0.11 1.31 0.56 1.17 -1.72 0.00 0.00 179.24 180.67 2bud n LYS 381 N -3.48 0.69 -2.61 3.56 4.81 -1.24 -4.88 118.16 114.99 2bud n LYS 381 Ca -0.09 0.25 -0.42 0.00 -0.87 0.00 0.00 58.31 57.18 2bud n LYS 381 Cb 1.02 -1.85 -0.03 0.00 0.02 0.00 0.00 35.03 34.19 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 1.83 4.51 0.00 3.15 -1.09 -1.26 -4.71 121.20 123.62 2bud s ILE 382 Ca 0.94 1.86 0.03 0.00 -2.23 0.00 0.00 60.65 61.25 2bud s ILE 382 Cb -1.16 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 35.49 2bud s ILE 382 CO 0.62 0.18 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.12 2bud s TYR 383 N 0.79 2.86 -0.02 3.97 1.51 -0.56 -4.88 117.35 121.03 2bud s TYR 383 Ca 0.53 -0.06 -0.20 0.00 -1.01 0.00 0.00 57.07 56.34 2bud s TYR 383 Cb -0.24 -1.60 -0.05 0.00 -0.11 0.00 0.00 41.96 39.96 2bud s TYR 383 CO 0.29 0.36 0.56 -0.06 -1.11 0.00 0.00 175.55 175.59 2bud s PHE 384 N -0.98 3.66 -0.08 2.71 0.40 -0.99 0.15 117.98 122.85 2bud s PHE 384 Ca 0.17 1.14 0.05 0.00 -0.60 0.00 0.00 56.93 57.68 2bud s PHE 384 Cb -0.11 -2.57 -0.01 0.00 0.51 0.00 0.00 43.02 40.84 2bud s PHE 384 CO 0.07 0.35 -0.24 0.42 0.70 0.00 0.00 175.22 176.53 2bud s ILE 385 N -0.16 2.15 -0.34 0.64 1.09 0.30 -1.91 121.20 122.98 2bud s ILE 385 Ca 0.30 -1.01 -0.18 0.00 -1.10 0.00 0.00 60.65 58.66 2bud s ILE 385 Cb -0.18 -1.80 -0.01 0.00 -1.06 0.00 0.00 42.46 39.41 2bud s ILE 385 CO 0.16 0.56 0.49 -0.60 -0.10 0.00 0.00 174.94 175.46 2bud s ARG 386 N 0.07 3.69 0.61 2.79 3.52 -0.93 -0.68 118.95 128.01 2bud s ARG 386 Ca -0.10 -0.12 -0.14 0.00 -0.13 0.00 0.00 55.73 55.24 2bud s ARG 386 Cb -0.16 -3.78 -0.03 0.00 -1.56 0.00 0.00 34.95 29.42 2bud s ARG 386 CO 0.06 -0.58 1.04 1.03 -0.81 0.00 0.00 175.30 176.04 2bud s ARG 387 N 2.34 3.38 0.22 5.12 0.52 -1.06 -4.84 118.95 124.62 2bud s ARG 387 Ca 0.18 1.01 -0.08 0.00 -0.52 0.00 0.00 55.73 56.32 2bud s ARG 387 Cb -0.16 -2.05 0.32 0.00 0.52 0.00 0.00 34.95 33.58 2bud s ARG 387 CO 0.13 -0.75 1.75 0.93 0.02 0.00 0.00 175.30 177.38 2bud h GLU 388 N 0.08 0.47 -0.37 3.54 4.39 -1.97 0.36 114.58 121.06 2bud h GLU 388 Ca -0.45 -0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.33 2bud h GLU 388 Cb 1.20 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2bud h GLU 388 CO 0.59 0.31 0.34 0.38 -1.16 0.00 0.00 179.01 179.46 2bud h ASP 389 N 0.48 0.00 0.00 1.42 3.04 -2.04 -3.45 116.42 115.88 2bud h ASP 389 Ca 0.33 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.12 2bud h ASP 389 Cb 0.40 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.69 2bud h ASP 389 CO -0.30 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.51 2bud n GLY 390 N -1.52 1.15 3.06 7.15 0.00 0.12 -4.89 105.19 110.26 2bud n GLY 390 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 2.03 0.16 2.61 -4.23 -1.23 -4.30 115.64 108.67 2bud s THR 391 Ca 0.00 -1.41 -0.31 0.00 -1.18 0.00 0.00 61.69 58.79 2bud s THR 391 Cb 0.00 -2.10 -0.08 0.00 1.34 0.00 0.00 72.50 71.66 2bud s THR 391 CO 0.00 0.08 1.35 -0.69 -0.54 0.00 0.00 174.62 174.82 2bud s VAL 392 N 1.19 3.25 -0.09 2.29 1.01 -1.26 -2.57 120.40 124.23 2bud s VAL 392 Ca -0.06 0.96 -0.07 0.00 0.00 0.00 0.00 61.98 62.82 2bud s VAL 392 Cb -0.18 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.61 2bud s VAL 392 CO -0.07 0.11 0.24 -1.00 0.00 0.00 0.00 175.10 174.38 2bud s HIS 393 N 0.59 -0.29 0.73 5.22 3.76 0.14 -4.35 115.29 121.09 2bud s HIS 393 Ca 0.60 0.69 -0.16 0.00 -0.15 0.00 0.00 55.06 56.05 2bud s HIS 393 Cb -0.37 0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.38 2bud s HIS 393 CO 0.34 -0.17 0.75 0.54 -0.85 0.00 0.00 174.74 175.35 2bud n ARG 394 N 3.48 0.37 -3.65 1.40 1.74 -1.26 -0.54 116.66 118.20 2bud n ARG 394 Ca -0.18 0.17 0.02 0.00 -0.77 0.00 0.00 57.85 57.10 2bud n ARG 394 Cb 0.56 -2.03 -0.06 0.00 -1.02 0.00 0.00 32.46 29.92 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 -1.58 0.68 -0.06 -0.13 0.00 0.40 -2.63 107.32 103.99 2bud s GLY 395 Ca 0.69 3.90 -0.17 0.00 0.00 0.00 0.00 44.72 49.13 2bud s GLY 395 CO 0.54 2.73 0.47 1.20 0.00 0.00 0.00 173.10 178.05 2bud s GLN 396 N 0.94 4.21 -0.01 2.90 -0.21 0.30 -1.49 119.66 126.29 2bud s GLN 396 Ca -0.07 0.48 -0.22 0.00 0.02 0.00 0.00 55.36 55.57 2bud s GLN 396 Cb -0.02 -3.35 -0.05 0.00 1.00 0.00 0.00 33.01 30.59 2bud s GLN 396 CO -0.10 0.37 0.66 0.08 -2.12 0.00 0.00 175.29 174.18 2bud s VAL 397 N -0.08 4.92 0.00 1.09 1.01 -1.26 -0.56 120.40 125.52 2bud s VAL 397 Ca 0.26 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.61 2bud s VAL 397 Cb -0.16 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2bud s VAL 397 CO 0.12 0.36 0.00 0.18 0.00 0.00 0.00 175.10 175.76 2bud n LEU 398 N 3.07 0.92 -4.57 3.92 4.77 -1.19 -4.91 117.00 119.01 2bud n LEU 398 Ca -0.04 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.67 2bud n LEU 398 Cb 0.51 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 2bud n LEU 398 CO 0.45 0.13 -0.22 -1.10 -1.33 0.00 0.00 177.39 175.33 2bud s GLN 399 N -1.98 1.96 -0.27 3.23 -1.52 -1.26 -4.99 119.66 114.83 2bud s GLN 399 Ca 0.00 -2.20 -0.25 0.00 -1.95 0.00 0.00 55.36 50.97 2bud s GLN 399 Cb 0.00 -0.89 0.09 0.00 -0.22 0.00 0.00 33.01 31.98 2bud s GLN 399 CO 0.00 -0.40 0.81 -1.54 -0.25 0.00 0.00 175.29 173.91 2bud s SER 400 N -3.66 -0.67 -0.12 5.90 1.04 -1.26 -0.18 113.70 114.76 2bud s SER 400 Ca 0.21 1.28 -0.10 0.00 0.48 0.00 0.00 55.95 57.82 2bud s SER 400 Cb 0.03 1.29 0.03 0.00 0.10 0.00 0.00 66.02 67.48 2bud s SER 400 CO 0.12 -0.22 0.30 0.00 0.98 0.00 0.00 173.24 174.42 2bud s ARG 401 N 0.39 0.34 -0.65 4.02 1.04 0.11 -4.96 118.95 119.24 2bud s ARG 401 Ca 0.00 0.45 -0.01 0.00 -1.04 0.00 0.00 55.73 55.14 2bud s ARG 401 Cb -0.05 0.14 0.43 0.00 -2.04 0.00 0.00 34.95 33.43 2bud s ARG 401 CO -0.02 -0.06 1.89 2.41 -0.04 0.00 0.00 175.30 179.49 2bud n THR 402 N 3.10 3.44 -2.17 4.99 -1.04 -1.25 0.87 114.28 122.21 2bud n THR 402 Ca -0.14 -3.43 0.04 0.00 -2.04 0.00 0.00 64.05 58.47 2bud n THR 402 Cb 0.57 -1.18 -0.01 0.00 -1.82 0.00 0.00 70.33 67.90 2bud n THR 402 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2bud n THR 403 N -0.81 0.00 -0.13 12.58 -1.04 -1.04 0.22 114.28 124.06 2bud n THR 403 Ca 0.58 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.56 2bud n THR 403 Cb 0.62 -0.09 0.18 0.00 -1.82 0.00 0.00 70.33 69.22 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 0.84 -0.02 -2.82 5.08 -1.97 -3.03 114.58 112.66 2bud h GLU 404 Ca 0.01 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2bud h GLU 404 Cb 0.24 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2bud h GLU 404 CO 0.00 0.77 -0.14 -0.91 -1.00 0.00 0.00 179.01 177.73 2bud h ASN 405 N 0.81 -0.41 -5.80 1.42 4.21 -1.96 -3.47 115.58 110.38 2bud h ASN 405 Ca 0.17 0.06 -0.34 0.00 1.21 0.00 0.00 56.30 57.41 2bud h ASN 405 Cb 0.32 0.18 0.14 0.00 -1.12 0.00 0.00 38.32 37.84 2bud h ASN 405 CO 0.00 -0.19 -0.86 0.00 -1.29 0.00 0.00 177.43 175.09 2bud n ALA 406 N -2.46 -2.34 -1.46 -0.83 0.00 0.13 -4.85 120.51 108.70 2bud n ALA 406 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2bud n ALA 406 Cb 0.19 -4.11 0.00 0.00 0.00 0.00 0.00 19.45 15.53 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 -3.80 0.00 0.00 0.00 0.00 -1.26 -5.01 120.51 110.44 2bud n ALA 407 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2bud n ALA 407 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2bud n ALA 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bud n ALA 408 N 0.00 0.00 -0.44 0.00 0.00 -1.26 -5.00 120.51 113.81 2bud n ALA 408 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2bud n ALA 408 Cb 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.52 2bud n ALA 408 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2bud n PRO 409 N -1.59 0.87 -2.20 0.00 -0.02 -1.26 -4.90 135.00 125.91 2bud n PRO 409 Ca 0.00 -0.38 -0.39 0.00 -2.02 0.00 0.00 63.50 60.71 2bud n PRO 409 Cb 0.00 -1.64 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.40 6.39 -0.05 2.55 -4.77 -1.26 -2.48 116.67 119.45 2bud s ASP 410 Ca 0.26 2.46 -0.13 0.00 -3.30 0.00 0.00 52.55 51.84 2bud s ASP 410 Cb 0.12 -2.62 0.02 0.00 -1.09 0.00 0.00 42.92 39.35 2bud s ASP 410 CO 0.00 -0.78 0.29 -1.61 0.70 0.00 0.00 175.17 173.77 2bud s GLU 411 N -2.32 0.55 -0.10 2.11 2.02 0.25 -4.30 118.70 116.91 2bud s GLU 411 Ca 0.58 -0.01 0.01 0.00 0.02 0.00 0.00 54.97 55.57 2bud s GLU 411 Cb -0.33 0.25 0.02 0.00 0.10 0.00 0.00 34.13 34.16 2bud s GLU 411 CO 0.42 -0.13 -0.13 0.71 0.02 0.00 0.00 175.26 176.15 2bud s TYR 412 N -0.84 1.74 0.61 1.61 1.51 -0.35 0.05 117.35 121.68 2bud s TYR 412 Ca -0.09 -0.79 -0.19 0.00 -1.01 0.00 0.00 57.07 54.99 2bud s TYR 412 Cb -0.04 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 2bud s TYR 412 CO 0.03 -0.44 1.24 -0.47 -1.11 0.00 0.00 175.55 174.80 2bud s TYR 413 N 1.07 2.28 -0.26 2.71 5.04 0.75 -1.49 117.35 127.45 2bud s TYR 413 Ca -0.06 1.50 -0.18 0.00 -2.44 0.00 0.00 57.07 55.90 2bud s TYR 413 Cb -0.15 -3.56 0.07 0.00 0.35 0.00 0.00 41.96 38.68 2bud s TYR 413 CO -0.02 -2.47 0.66 0.54 -1.34 0.00 0.00 175.55 172.92 2bud s VAL 414 N -1.52 -0.00 -0.42 3.14 0.11 -0.86 -3.20 120.40 117.65 2bud s VAL 414 Ca 0.79 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 59.75 2bud s VAL 414 Cb -0.33 -0.94 0.06 0.00 -1.53 0.00 0.00 36.38 33.64 2bud s VAL 414 CO 0.35 0.00 0.27 -2.28 -3.33 0.00 0.00 175.10 170.11 2bud s HIS 415 N 1.19 3.30 -0.50 1.54 2.46 0.28 -3.22 115.29 120.34 2bud s HIS 415 Ca -0.07 -1.29 -0.26 0.00 0.47 0.00 0.00 55.06 53.91 2bud s HIS 415 Cb -0.05 -2.86 -0.06 0.00 -0.13 0.00 0.00 32.58 29.48 2bud s HIS 415 CO -0.12 -0.79 2.28 0.71 -2.47 0.00 0.00 174.74 174.35 2bud s TYR 416 N 1.49 1.20 -0.13 3.88 1.51 -1.26 -0.54 117.35 123.50 2bud s TYR 416 Ca 0.03 1.36 -0.39 0.00 -1.01 0.00 0.00 57.07 57.06 2bud s TYR 416 Cb -0.22 -3.70 -0.16 0.00 -0.11 0.00 0.00 41.96 37.77 2bud s TYR 416 CO 0.04 -2.56 1.61 0.28 -1.11 0.00 0.00 175.55 173.81 2bud n VAL 417 N 7.82 0.21 0.00 0.71 0.31 -1.08 -0.71 118.33 125.59 2bud n VAL 417 Ca 0.33 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 2bud n VAL 417 Cb 0.54 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 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 3.62 2.15 1.27 2.92 0.00 -1.26 -4.77 105.19 109.12 2bud n GLY 418 Ca 0.23 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -4.78 0.99 4.77 0.11 -5.00 117.00 113.10 2bud n LEU 419 Ca 0.00 -0.41 -0.37 0.00 -0.03 0.00 0.00 56.01 55.20 2bud n LEU 419 Cb 0.00 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 2bud n LEU 419 CO 0.00 -1.52 0.75 0.20 -1.33 0.00 0.00 177.39 175.49 2bud s ASN 420 N -2.56 6.68 0.21 -1.43 -0.87 -1.26 -4.93 114.94 110.77 2bud s ASN 420 Ca 0.26 2.09 -0.07 0.00 -1.57 0.00 0.00 52.86 53.57 2bud s ASN 420 Cb -0.03 -2.59 0.16 0.00 -0.02 0.00 0.00 41.25 38.77 2bud s ASN 420 CO 0.20 -0.55 1.71 0.03 -2.57 0.00 0.00 177.10 175.92 2bud h ARG 421 N 2.47 1.04 -0.69 -0.60 3.08 -1.94 -2.77 114.38 114.97 2bud h ARG 421 Ca -0.48 -0.28 0.07 0.00 0.07 0.00 0.00 59.98 59.35 2bud h ARG 421 Cb 1.22 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 2bud h ARG 421 CO 0.62 0.97 0.45 0.07 -1.07 0.00 0.00 179.97 181.01 2bud h ARG 422 N 0.97 0.66 -0.58 0.04 0.11 -2.01 -1.09 114.38 112.47 2bud h ARG 422 Ca 0.19 -0.04 0.08 0.00 0.10 0.00 0.00 59.98 60.31 2bud h ARG 422 Cb 0.45 -0.15 -0.03 0.00 1.11 0.00 0.00 29.97 31.35 2bud h ARG 422 CO 0.02 0.44 0.39 -0.07 0.10 0.00 0.00 179.97 180.84 2bud h LEU 423 N 0.68 0.41 -9.63 0.08 3.38 -1.89 -3.43 115.31 104.91 2bud h LEU 423 Ca 0.30 0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.69 2bud h LEU 423 Cb 0.29 -0.08 0.12 0.00 0.09 0.00 0.00 40.66 41.08 2bud h LEU 423 CO -0.10 0.25 0.25 0.47 0.09 0.00 0.00 178.44 179.41 2bud n ASP 424 N -4.47 1.69 0.00 -0.43 8.00 -0.42 -4.92 116.55 116.00 2bud n ASP 424 Ca 0.09 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.70 2bud n ASP 424 Cb 0.32 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 2bud n ASP 424 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bud n GLY 425 N 1.08 2.03 3.20 0.44 0.00 -1.20 -5.02 105.19 105.71 2bud n GLY 425 Ca 0.08 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 0.26 1.87 0.23 1.61 0.52 -1.26 -2.02 118.94 120.15 2bud s TRP 426 Ca 0.00 -0.43 0.08 0.00 0.02 0.00 0.00 56.10 55.76 2bud s TRP 426 Cb 0.00 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 31.06 2bud s TRP 426 CO 0.00 -0.09 0.09 0.14 0.02 0.00 0.00 176.95 177.11 2bud s VAL 427 N -0.29 3.99 -0.05 4.03 -7.23 -0.55 -4.86 120.40 115.44 2bud s VAL 427 Ca 0.03 -1.55 -0.00 0.00 -1.81 0.00 0.00 61.98 58.65 2bud s VAL 427 Cb -0.10 -3.11 0.04 0.00 0.56 0.00 0.00 36.38 33.77 2bud s VAL 427 CO 0.01 -0.29 2.00 0.61 -0.31 0.00 0.00 175.10 177.11 2bud n GLY 428 N -0.82 2.77 5.10 2.32 0.00 -1.26 -1.21 105.19 112.09 2bud n GLY 428 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 1.30 0.00 0.19 1.61 3.00 -1.26 -4.33 116.66 117.18 2bud n ARG 429 Ca 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.95 2bud n ARG 429 Cb 0.51 0.00 0.25 0.00 0.00 0.00 0.00 32.46 33.23 2bud n ARG 429 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.63 178.75 2bud h HIS 430 N 0.00 0.00 0.08 -0.14 2.07 -1.95 0.18 115.15 115.39 2bud h HIS 430 Ca 0.00 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.26 2bud h HIS 430 Cb 0.00 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.99 2bud h HIS 430 CO 0.00 0.00 -1.13 0.00 -3.07 0.00 0.00 177.93 173.73 2bud h ARG 431 N 0.00 0.34 -6.01 5.12 3.08 -1.89 -3.45 114.38 111.58 2bud h ARG 431 Ca 0.00 -0.48 -0.57 0.00 0.07 0.00 0.00 59.98 59.00 2bud h ARG 431 Cb 1.01 0.16 -0.06 0.00 0.08 0.00 0.00 29.97 31.16 2bud h ARG 431 CO 0.00 1.18 0.01 0.42 -1.07 0.00 0.00 179.97 180.51 2bud s ILE 432 N -2.91 5.00 -0.28 2.04 1.01 0.61 -2.18 121.20 124.51 2bud s ILE 432 Ca -0.05 1.28 -0.24 0.00 0.00 0.00 0.00 60.65 61.63 2bud s ILE 432 Cb 0.08 -3.96 0.11 0.00 0.01 0.00 0.00 42.46 38.70 2bud s ILE 432 CO 0.88 0.34 0.95 -0.44 0.00 0.00 0.00 174.94 176.67 2bud s SER 433 N 0.32 -0.53 0.60 3.58 0.01 -0.80 -4.96 113.70 111.92 2bud s SER 433 Ca 0.33 1.01 0.34 0.00 1.31 0.00 0.00 55.95 58.94 2bud s SER 433 Cb -0.18 1.04 1.90 0.00 0.21 0.00 0.00 66.02 69.00 2bud s SER 433 CO 0.16 -0.17 2.23 -2.24 0.41 0.00 0.00 173.24 173.63 2bud h ASP 434 N 4.54 0.00 -3.33 2.44 3.04 -1.92 -2.62 116.42 118.57 2bud h ASP 434 Ca -0.28 0.00 -0.64 0.00 -3.24 0.00 0.00 57.03 52.86 2bud h ASP 434 Cb 1.17 0.00 -0.20 0.00 -1.04 0.00 0.00 39.33 39.26 2bud h ASP 434 CO 0.10 0.03 -0.65 0.20 -2.04 0.00 0.00 179.24 176.87 2bud s ASN 435 N -5.81 4.91 0.18 4.15 0.01 -1.26 -4.75 114.94 112.36 2bud s ASN 435 Ca -0.04 -0.07 0.04 0.00 -0.71 0.00 0.00 52.86 52.08 2bud s ASN 435 Cb 0.14 -1.72 0.03 0.00 0.41 0.00 0.00 41.25 40.11 2bud s ASN 435 CO 0.51 0.21 1.41 0.00 -1.51 0.00 0.00 177.10 177.72 2bud h ALA 436 N 6.43 0.58 -0.97 0.60 0.00 -1.84 -3.28 119.26 120.79 2bud h ALA 436 Ca -0.35 -0.71 0.16 0.00 0.00 0.00 0.00 54.91 54.00 2bud h ALA 436 Cb 1.19 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 2bud h ALA 436 CO 0.62 0.93 0.58 -0.44 0.00 0.00 0.00 179.25 180.94 2bud h ASP 437 N 0.08 0.79 0.16 0.00 5.19 -1.95 0.28 116.42 120.96 2bud h ASP 437 Ca -0.03 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 2bud h ASP 437 Cb 1.46 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.90 2bud h ASP 437 CO 0.12 0.34 -0.04 0.44 -3.12 0.00 0.00 179.24 176.99 2bud h ASP 438 N 0.82 0.00 0.00 6.45 3.32 -1.94 -3.36 116.42 121.71 2bud h ASP 438 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 2bud h ASP 438 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2bud h ASP 438 CO -0.34 0.04 0.00 0.18 -1.72 0.00 0.00 179.24 177.40 2bud n LEU 439 N -3.56 0.68 -2.74 1.55 4.32 0.92 -5.00 117.00 113.16 2bud n LEU 439 Ca -0.02 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.88 2bud n LEU 439 Cb 0.14 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.03 2bud n LEU 439 CO 0.26 0.00 0.36 0.61 -1.22 0.00 0.00 177.39 177.40 2bud n GLY 440 N 2.73 0.95 7.00 -0.72 0.00 -0.82 -5.05 105.19 109.28 2bud n GLY 440 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.08 2.62 3.00 -0.02 0.00 -1.20 -4.70 105.19 104.96 2bud n GLY 441 Ca 0.04 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 0.42 0.17 -0.61 -1.09 -1.26 -4.26 121.20 114.58 2bud s ILE 442 Ca 0.00 -0.58 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 2bud s ILE 442 Cb 0.00 -0.43 0.00 0.00 -1.58 0.00 0.00 42.46 40.45 2bud s ILE 442 CO 0.00 -0.12 0.00 1.07 -1.23 0.00 0.00 174.94 174.66 2bud n THR 443 N 2.30 0.00 -1.70 2.92 5.66 -1.26 -4.67 114.28 117.53 2bud n THR 443 Ca -0.17 0.01 -0.44 0.00 -3.05 0.00 0.00 64.05 60.40 2bud n THR 443 Cb 0.57 -0.26 -0.03 0.00 -1.55 0.00 0.00 70.33 69.06 2bud n THR 443 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2bud n VAL 444 N -2.42 0.31 -3.01 1.08 0.24 -1.26 -4.36 118.33 108.92 2bud n VAL 444 Ca 0.00 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.34 62.08 2bud n VAL 444 Cb 0.58 -1.73 0.02 0.00 -1.47 0.00 0.00 33.84 31.24 2bud n VAL 444 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bud n LEU 445 N 3.18 -0.48 -4.73 1.34 -0.00 -1.26 -5.08 117.00 109.97 2bud n LEU 445 Ca 0.14 -4.47 -0.41 0.00 -0.00 0.00 0.00 56.01 51.28 2bud n LEU 445 Cb 0.32 0.80 -0.05 0.00 -0.00 0.00 0.00 43.42 44.50 2bud n LEU 445 CO 0.63 2.20 0.58 -2.16 -0.00 0.00 0.00 177.39 178.65 2bud s PRO 446 N -1.30 4.60 0.34 1.47 0.04 -1.26 -4.82 135.00 134.08 2bud s PRO 446 Ca 0.33 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2bud s PRO 446 Cb 0.32 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.48 2bud s PRO 446 CO -0.07 0.21 0.00 0.00 0.04 0.00 0.00 177.00 177.18 2bud n ALA 447 N 2.91 -2.16 -1.77 8.56 0.00 -1.26 -4.93 120.51 121.85 2bud n ALA 447 Ca 0.01 0.42 -0.37 0.00 0.00 0.00 0.00 53.44 53.50 2bud n ALA 447 Cb 0.50 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 2bud n ALA 447 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bud s PRO 448 N -2.39 3.89 0.27 0.00 0.04 -1.26 -4.98 135.00 130.56 2bud s PRO 448 Ca 0.00 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 2bud s PRO 448 Cb 0.00 -2.45 -0.11 0.00 0.04 0.00 0.00 34.50 31.98 2bud s PRO 448 CO 0.00 -0.42 1.52 -1.25 0.04 0.00 0.00 177.00 176.89 2bud s PRO 449 N -2.63 4.19 -0.27 0.56 0.04 -1.26 -5.00 135.00 130.63 2bud s PRO 449 Ca 0.62 2.45 -0.27 0.00 0.04 0.00 0.00 61.00 63.84 2bud s PRO 449 Cb -0.27 -3.07 0.16 0.00 0.04 0.00 0.00 34.50 31.37 2bud s PRO 449 CO 0.33 -0.54 1.22 -1.17 0.04 0.00 0.00 177.00 176.88 2bud s LEU 450 N -0.41 -0.23 0.37 -3.56 0.20 -1.26 -5.15 118.68 108.64 2bud s LEU 450 Ca 0.62 0.38 -0.24 0.00 0.69 0.00 0.00 54.13 55.57 2bud s LEU 450 Cb -0.45 1.47 -0.13 0.00 -0.43 0.00 0.00 46.19 46.65 2bud s LEU 450 CO 0.45 -0.12 0.65 0.00 -0.29 0.00 0.00 176.35 177.04 2bud n ALA 451 N 1.44 -1.37 -0.47 5.97 0.00 -1.26 -4.78 120.51 120.03 2bud n ALA 451 Ca -0.09 0.24 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 2bud n ALA 451 Cb 0.57 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 2bud n ALA 451 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bud n PRO 452 N 0.66 0.95 0.01 0.00 -0.04 -1.26 -4.06 135.00 131.25 2bud n PRO 452 Ca 0.12 -0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 2bud n PRO 452 Cb 0.36 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 2bud n PRO 452 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2bud h ASP 453 N 2.43 0.41 0.00 3.54 5.19 -2.07 -3.58 116.42 122.34 2bud h ASP 453 Ca 0.04 -0.89 0.00 0.00 -0.62 0.00 0.00 57.03 55.56 2bud h ASP 453 Cb 0.84 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.22 2bud h ASP 453 CO 0.09 1.78 0.00 0.00 -3.12 0.00 0.00 179.24 177.99