#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 5.30 -4.77 1.61 7.64 -1.26 -4.93 113.62 117.21 2bud n SER 364 Ca 0.00 -2.46 -0.40 0.00 1.01 0.00 0.00 58.87 57.01 2bud n SER 364 Cb 0.00 -1.30 -0.00 0.00 -1.01 0.00 0.00 64.21 61.90 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 0.56 2.72 0.25 1.43 0.00 -1.26 -4.95 115.29 114.04 2bud s HIS 365 Ca 0.40 1.29 -0.30 0.00 -3.00 0.00 0.00 55.06 53.45 2bud s HIS 365 Cb 0.19 -3.85 -0.10 0.00 -4.00 0.00 0.00 32.58 24.82 2bud s HIS 365 CO -0.00 -2.53 1.34 0.00 -1.00 0.00 0.00 174.74 172.55 2bud s MET 366 N -2.12 4.35 0.05 -0.38 0.00 -1.26 -4.93 119.30 115.01 2bud s MET 366 Ca 0.54 2.16 -0.30 0.00 0.00 0.00 0.00 55.69 58.09 2bud s MET 366 Cb -0.43 -3.14 -0.09 0.00 0.00 0.00 0.00 34.83 31.18 2bud s MET 366 CO 0.57 -0.28 1.82 -0.51 0.00 0.00 0.00 175.02 176.62 2bud s ASP 367 N 0.13 6.51 0.00 -1.18 1.01 -1.26 -4.85 116.67 117.02 2bud s ASP 367 Ca 0.55 2.58 0.00 0.00 0.71 0.00 0.00 52.55 56.40 2bud s ASP 367 Cb -0.39 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.00 2bud s ASP 367 CO 0.43 -0.99 1.47 -0.81 0.21 0.00 0.00 175.17 175.48 2bud n PRO 368 N 6.68 0.90 0.00 8.23 -0.04 -1.26 -1.85 135.00 147.66 2bud n PRO 368 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2bud n PRO 368 Cb 0.41 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.18 0.00 -2.79 1.53 -0.00 -1.26 -4.99 117.00 110.68 2bud n LEU 369 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 2bud n LEU 369 Cb 0.45 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.94 2bud n LEU 369 CO 0.00 0.00 0.24 0.23 -0.00 0.00 0.00 177.39 177.86 2bud n MET 370 N -0.67 1.08 -0.01 1.47 2.81 -1.17 -4.98 117.12 115.66 2bud n MET 370 Ca 0.00 -2.30 0.00 0.00 -1.81 0.00 0.00 57.70 53.59 2bud n MET 370 Cb 0.00 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 2bud n MET 370 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2bud n GLN 371 N -0.01 0.77 -3.64 0.03 10.64 -0.77 -4.62 117.38 119.78 2bud n GLN 371 Ca 0.07 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.16 2bud n GLN 371 Cb 0.76 -1.12 -0.07 0.00 -0.86 0.00 0.00 30.24 28.95 2bud n GLN 371 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2bud s LYS 372 N 0.24 0.58 0.17 2.61 1.02 -1.26 -4.87 119.74 118.23 2bud s LYS 372 Ca 0.00 0.86 -0.30 0.00 0.02 0.00 0.00 55.97 56.55 2bud s LYS 372 Cb 0.00 0.19 -0.07 0.00 -0.52 0.00 0.00 37.83 37.42 2bud s LYS 372 CO 0.00 -0.10 1.01 0.42 -0.92 0.00 0.00 175.35 175.76 2bud s ILE 373 N 1.01 4.13 -0.10 2.17 1.01 -1.26 -5.03 121.20 123.13 2bud s ILE 373 Ca -0.05 1.89 -0.21 0.00 0.00 0.00 0.00 60.65 62.29 2bud s ILE 373 Cb -0.05 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 2bud s ILE 373 CO -0.12 0.35 0.58 -1.81 0.00 0.00 0.00 174.94 173.95 2bud s ASP 374 N -0.36 6.82 -0.23 3.58 1.01 -1.26 -4.97 116.67 121.27 2bud s ASP 374 Ca 0.46 0.98 -0.11 0.00 0.71 0.00 0.00 52.55 54.59 2bud s ASP 374 Cb -0.26 -2.35 -0.18 0.00 1.01 0.00 0.00 42.92 41.14 2bud s ASP 374 CO 0.33 -0.07 -0.05 -0.38 0.21 0.00 0.00 175.17 175.21 2bud n ILE 375 N 3.77 1.57 -1.09 0.77 5.41 -1.26 -4.69 119.36 123.84 2bud n ILE 375 Ca -0.04 -0.38 -0.38 0.00 1.00 0.00 0.00 62.75 62.94 2bud n ILE 375 Cb 0.51 -1.79 -0.09 0.00 -0.71 0.00 0.00 39.64 37.56 2bud n ILE 375 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2bud n SER 376 N -3.94 1.87 0.00 4.38 7.64 -1.26 -2.26 113.62 120.05 2bud n SER 376 Ca -0.43 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 56.86 2bud n SER 376 Cb 0.89 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2bud n SER 376 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2bud n GLU 377 N 7.70 0.00 -2.70 1.43 0.28 -1.26 -5.03 120.64 121.06 2bud n GLU 377 Ca 0.47 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.41 2bud n GLU 377 Cb 0.43 0.00 0.10 0.00 1.43 0.00 0.00 31.44 33.40 2bud n GLU 377 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2bud n ASN 378 N -0.36 -1.78 -0.30 -1.84 2.04 -0.96 -5.01 115.26 107.06 2bud n ASN 378 Ca 0.00 -2.76 0.13 0.00 -0.44 0.00 0.00 54.58 51.51 2bud n ASN 378 Cb 0.00 1.53 0.37 0.00 -2.53 0.00 0.00 39.78 39.16 2bud n ASN 378 CO 0.00 0.00 0.00 -0.65 -0.44 0.00 0.00 177.26 176.17 2bud h PRO 379 N 2.59 0.68 -0.29 -0.53 0.11 -1.90 0.13 132.00 132.78 2bud h PRO 379 Ca -0.21 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.83 2bud h PRO 379 Cb 1.16 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2bud h PRO 379 CO 0.06 0.45 0.04 -0.44 -0.21 0.00 0.00 178.00 177.89 2bud h ASP 380 N 0.70 0.39 -2.28 -2.05 5.19 -1.92 -3.44 116.42 112.99 2bud h ASP 380 Ca 0.49 -0.05 -0.62 0.00 -0.62 0.00 0.00 57.03 56.23 2bud h ASP 380 Cb 0.82 -0.10 0.08 0.00 0.18 0.00 0.00 39.33 40.31 2bud h ASP 380 CO -0.25 0.42 0.44 1.17 -3.12 0.00 0.00 179.24 177.90 2bud n LYS 381 N -4.34 1.58 -2.90 3.56 4.81 0.45 -4.94 118.16 116.38 2bud n LYS 381 Ca 0.01 0.56 -0.40 0.00 -0.87 0.00 0.00 58.31 57.61 2bud n LYS 381 Cb 0.19 -2.14 -0.05 0.00 0.02 0.00 0.00 35.03 33.05 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 -0.11 4.53 0.01 3.15 -1.09 -1.26 -4.69 121.20 121.75 2bud s ILE 382 Ca 0.71 1.80 0.05 0.00 -2.23 0.00 0.00 60.65 60.99 2bud s ILE 382 Cb -0.76 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 35.90 2bud s ILE 382 CO 0.51 0.40 -0.14 -0.31 -1.23 0.00 0.00 174.94 174.16 2bud s TYR 383 N -0.38 2.67 -0.01 3.97 1.51 -0.89 -4.91 117.35 119.31 2bud s TYR 383 Ca 0.40 -0.18 -0.19 0.00 -1.01 0.00 0.00 57.07 56.09 2bud s TYR 383 Cb -0.22 -1.53 -0.05 0.00 -0.11 0.00 0.00 41.96 40.04 2bud s TYR 383 CO 0.26 0.27 0.54 -0.06 -1.11 0.00 0.00 175.55 175.46 2bud s PHE 384 N -0.91 3.68 -0.10 2.71 0.40 -1.18 0.13 117.98 122.71 2bud s PHE 384 Ca 0.15 1.12 0.03 0.00 -0.60 0.00 0.00 56.93 57.63 2bud s PHE 384 Cb -0.11 -2.54 -0.00 0.00 0.51 0.00 0.00 43.02 40.88 2bud s PHE 384 CO 0.05 0.39 -0.22 0.42 0.70 0.00 0.00 175.22 176.57 2bud s ILE 385 N -0.30 2.28 -0.23 0.64 1.09 -0.14 -1.85 121.20 122.68 2bud s ILE 385 Ca 0.29 -0.95 -0.20 0.00 -1.10 0.00 0.00 60.65 58.70 2bud s ILE 385 Cb -0.18 -1.89 -0.02 0.00 -1.06 0.00 0.00 42.46 39.31 2bud s ILE 385 CO 0.16 0.55 0.58 -0.60 -0.10 0.00 0.00 174.94 175.53 2bud s ARG 386 N 0.30 4.15 0.69 2.79 3.52 -0.83 -1.38 118.95 128.18 2bud s ARG 386 Ca -0.16 0.50 -0.11 0.00 -0.13 0.00 0.00 55.73 55.82 2bud s ARG 386 Cb -0.17 -3.61 0.01 0.00 -1.56 0.00 0.00 34.95 29.61 2bud s ARG 386 CO 0.08 -0.30 1.08 1.03 -0.81 0.00 0.00 175.30 176.37 2bud s ARG 387 N 2.13 2.97 0.23 5.12 0.52 -1.01 -4.89 118.95 124.02 2bud s ARG 387 Ca 0.25 0.59 -0.07 0.00 -0.52 0.00 0.00 55.73 55.98 2bud s ARG 387 Cb -0.16 -2.02 0.28 0.00 0.52 0.00 0.00 34.95 33.57 2bud s ARG 387 CO 0.09 -0.98 1.84 0.93 0.02 0.00 0.00 175.30 177.20 2bud h GLU 388 N -0.62 0.85 0.00 3.54 5.08 -1.97 0.21 114.58 121.67 2bud h GLU 388 Ca -0.45 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2bud h GLU 388 Cb 1.24 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2bud h GLU 388 CO 0.62 0.56 0.00 0.38 -1.00 0.00 0.00 179.01 179.58 2bud h ASP 389 N 0.88 0.00 -0.46 1.42 3.04 -2.04 -3.45 116.42 115.81 2bud h ASP 389 Ca 0.34 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.13 2bud h ASP 389 Cb 0.14 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.43 2bud h ASP 389 CO -0.16 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.65 2bud n GLY 390 N -1.16 0.94 3.05 7.15 0.00 0.75 -5.08 105.19 110.85 2bud n GLY 390 Ca -0.02 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.38 2.04 0.23 2.61 -4.23 -1.24 -4.73 115.64 107.94 2bud s THR 391 Ca 0.00 -1.48 -0.30 0.00 -1.18 0.00 0.00 61.69 58.74 2bud s THR 391 Cb 0.00 -2.14 -0.09 0.00 1.34 0.00 0.00 72.50 71.61 2bud s THR 391 CO 0.00 0.03 1.29 -0.69 -0.54 0.00 0.00 174.62 174.71 2bud s VAL 392 N 1.18 3.17 -0.14 2.29 1.01 -1.26 -2.40 120.40 124.25 2bud s VAL 392 Ca -0.07 1.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.80 2bud s VAL 392 Cb -0.19 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.58 2bud s VAL 392 CO -0.06 0.17 0.36 -1.00 0.00 0.00 0.00 175.10 174.57 2bud s HIS 393 N -0.20 -0.41 0.58 5.22 3.76 -0.48 -4.48 115.29 119.28 2bud s HIS 393 Ca 0.54 0.98 -0.20 0.00 -0.15 0.00 0.00 55.06 56.24 2bud s HIS 393 Cb -0.36 0.14 -0.05 0.00 1.11 0.00 0.00 32.58 33.42 2bud s HIS 393 CO 0.41 -0.20 1.09 0.54 -0.85 0.00 0.00 174.74 175.73 2bud n ARG 394 N 3.02 1.13 -3.59 1.40 1.74 -1.26 -0.97 116.66 118.13 2bud n ARG 394 Ca -0.14 0.43 -0.01 0.00 -0.77 0.00 0.00 57.85 57.36 2bud n ARG 394 Cb 0.57 -2.29 -0.06 0.00 -1.02 0.00 0.00 32.46 29.66 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 -1.15 0.10 -0.05 -0.13 0.00 0.12 -3.70 107.32 102.51 2bud s GLY 395 Ca 0.75 3.27 -0.28 0.00 0.00 0.00 0.00 44.72 48.46 2bud s GLY 395 CO 0.47 2.76 0.92 1.20 0.00 0.00 0.00 173.10 178.45 2bud s GLN 396 N 1.49 4.49 -0.23 2.90 -0.21 -0.80 -2.09 119.66 125.21 2bud s GLN 396 Ca -0.07 1.28 -0.10 0.00 0.02 0.00 0.00 55.36 56.49 2bud s GLN 396 Cb -0.04 -3.48 -0.05 0.00 1.00 0.00 0.00 33.01 30.45 2bud s GLN 396 CO -0.14 -0.10 0.13 0.08 -2.12 0.00 0.00 175.29 173.13 2bud s VAL 397 N 1.25 5.15 0.00 1.09 1.01 -1.26 0.08 120.40 127.72 2bud s VAL 397 Ca 0.47 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2bud s VAL 397 Cb -0.19 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2bud s VAL 397 CO 0.23 0.38 0.00 0.18 0.00 0.00 0.00 175.10 175.89 2bud n LEU 398 N 4.12 1.29 -4.60 3.92 4.77 -1.01 -4.93 117.00 120.57 2bud n LEU 398 Ca -0.16 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.56 2bud n LEU 398 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 2bud n LEU 398 CO 0.35 0.21 -0.32 -1.10 -1.33 0.00 0.00 177.39 175.20 2bud s GLN 399 N -1.96 1.93 -0.10 3.23 -0.21 -1.26 -4.95 119.66 116.34 2bud s GLN 399 Ca 0.00 -1.96 -0.30 0.00 0.02 0.00 0.00 55.36 53.12 2bud s GLN 399 Cb 0.00 -1.74 0.11 0.00 1.00 0.00 0.00 33.01 32.38 2bud s GLN 399 CO 0.00 0.06 0.88 -1.54 -2.12 0.00 0.00 175.29 172.57 2bud s SER 400 N -3.68 -0.45 -0.28 5.90 1.04 -1.26 -0.07 113.70 114.90 2bud s SER 400 Ca 0.34 0.42 -0.20 0.00 0.48 0.00 0.00 55.95 56.99 2bud s SER 400 Cb 0.05 0.39 0.08 0.00 0.10 0.00 0.00 66.02 66.64 2bud s SER 400 CO 0.18 -0.47 0.75 0.00 0.98 0.00 0.00 173.24 174.68 2bud s ARG 401 N -1.47 0.72 -0.63 4.02 1.70 0.18 -4.97 118.95 118.50 2bud s ARG 401 Ca -0.03 1.05 -0.01 0.00 -0.47 0.00 0.00 55.73 56.27 2bud s ARG 401 Cb -0.00 0.25 0.47 0.00 -0.57 0.00 0.00 34.95 35.09 2bud s ARG 401 CO 0.02 -0.12 1.99 0.25 -1.08 0.00 0.00 175.30 176.36 2bud n THR 402 N 3.48 3.55 -1.27 4.99 -2.24 -1.26 -1.03 114.28 120.49 2bud n THR 402 Ca -0.17 -2.92 0.03 0.00 -2.27 0.00 0.00 64.05 58.73 2bud n THR 402 Cb 0.57 -1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 67.69 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 -0.93 0.00 0.08 4.28 -1.04 -1.26 -2.17 114.28 113.24 2bud n THR 403 Ca 0.62 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 62.41 2bud n THR 403 Cb 0.75 -0.08 -0.13 0.00 -1.82 0.00 0.00 70.33 69.05 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 0.60 0.04 -2.82 3.07 -1.97 -3.33 114.58 110.17 2bud h GLU 404 Ca 0.00 -0.80 0.01 0.00 -0.50 0.00 0.00 59.36 58.08 2bud h GLU 404 Cb 0.21 0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 2bud h GLU 404 CO 0.00 1.36 -0.08 -0.97 -1.40 0.00 0.00 179.01 177.92 2bud h ASN 405 N 0.22 -0.23 -2.69 1.42 -0.00 -1.99 -3.48 115.58 108.82 2bud h ASN 405 Ca -0.18 0.03 0.14 0.00 -0.00 0.00 0.00 56.30 56.29 2bud h ASN 405 Cb 1.86 0.09 -0.04 0.00 -0.00 0.00 0.00 38.32 40.24 2bud h ASN 405 CO 0.23 -0.13 -0.19 0.00 -0.00 0.00 0.00 177.43 177.34 2bud n ALA 406 N -2.29 -1.36 -1.07 1.57 0.00 -0.92 -4.85 120.51 111.58 2bud n ALA 406 Ca -0.06 0.17 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 2bud n ALA 406 Cb 0.13 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.98 -0.04 0.07 0.00 0.00 -1.26 -4.22 120.51 114.08 2bud n ALA 407 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2bud n ALA 407 Cb 0.24 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.05 0.00 -1.77 0.00 0.00 -1.26 -5.14 120.51 113.38 2bud n ALA 408 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.05 2bud n ALA 408 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.92 2bud n ALA 408 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bud s PRO 409 N -2.00 3.38 -0.29 0.00 0.04 -1.26 -5.04 135.00 129.83 2bud s PRO 409 Ca 0.00 1.76 -0.18 0.00 0.04 0.00 0.00 61.00 62.62 2bud s PRO 409 Cb 0.00 -2.14 0.18 0.00 0.04 0.00 0.00 34.50 32.59 2bud s PRO 409 CO 0.00 -0.86 1.20 0.16 0.04 0.00 0.00 177.00 177.55 2bud s ASP 410 N -1.53 -0.20 -0.16 6.66 -4.77 -1.25 -4.24 116.67 111.18 2bud s ASP 410 Ca 0.71 0.34 -0.13 0.00 -3.30 0.00 0.00 52.55 50.17 2bud s ASP 410 Cb -0.28 0.90 0.04 0.00 -1.09 0.00 0.00 42.92 42.49 2bud s ASP 410 CO 0.32 -0.05 0.41 -1.61 0.70 0.00 0.00 175.17 174.94 2bud s GLU 411 N 0.87 0.45 -0.12 2.11 2.02 -0.20 -3.61 118.70 120.21 2bud s GLU 411 Ca -0.05 0.63 0.02 0.00 0.02 0.00 0.00 54.97 55.59 2bud s GLU 411 Cb -0.03 0.16 -0.01 0.00 0.10 0.00 0.00 34.13 34.35 2bud s GLU 411 CO -0.12 -0.09 -0.18 0.71 0.02 0.00 0.00 175.26 175.61 2bud s TYR 412 N 0.55 2.70 0.27 1.61 1.51 -1.05 -0.65 117.35 122.30 2bud s TYR 412 Ca -0.03 -0.92 -0.30 0.00 -1.01 0.00 0.00 57.07 54.82 2bud s TYR 412 Cb -0.04 -1.80 -0.10 0.00 -0.11 0.00 0.00 41.96 39.90 2bud s TYR 412 CO -0.03 -0.37 1.47 -0.47 -1.11 0.00 0.00 175.55 175.04 2bud s TYR 413 N 0.47 2.93 -0.01 2.71 5.04 0.89 -2.28 117.35 127.10 2bud s TYR 413 Ca -0.12 1.01 0.04 0.00 -2.44 0.00 0.00 57.07 55.56 2bud s TYR 413 Cb -0.17 -3.88 -0.01 0.00 0.35 0.00 0.00 41.96 38.26 2bud s TYR 413 CO 0.05 -2.83 -0.14 0.08 -1.34 0.00 0.00 175.55 171.38 2bud s VAL 414 N -0.18 1.10 -0.53 3.14 1.01 -0.59 -2.40 120.40 121.96 2bud s VAL 414 Ca 0.59 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2bud s VAL 414 Cb -0.43 -0.92 0.13 0.00 0.00 0.00 0.00 36.38 35.16 2bud s VAL 414 CO 0.47 0.31 0.28 -2.28 0.00 0.00 0.00 175.10 173.87 2bud s HIS 415 N -0.28 3.17 -0.18 5.22 2.46 0.11 -2.97 115.29 122.82 2bud s HIS 415 Ca 0.04 -3.17 -0.34 0.00 0.47 0.00 0.00 55.06 52.07 2bud s HIS 415 Cb -0.06 -2.78 -0.11 0.00 -0.13 0.00 0.00 32.58 29.50 2bud s HIS 415 CO -0.00 -0.73 2.01 0.66 -2.47 0.00 0.00 174.74 174.21 2bud n TYR 416 N 3.04 2.08 -1.77 3.88 4.02 -1.26 -1.91 117.16 125.23 2bud n TYR 416 Ca 0.06 0.07 -0.42 0.00 -0.01 0.00 0.00 57.90 57.60 2bud n TYR 416 Cb 0.32 -2.63 -0.03 0.00 -0.02 0.00 0.00 39.34 36.98 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 5.53 2.61 0.00 -0.72 1.01 -1.24 -2.91 120.40 124.68 2bud s VAL 417 Ca 0.99 0.16 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2bud s VAL 417 Cb -0.70 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2bud s VAL 417 CO 0.49 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2bud n GLY 418 N 4.14 0.97 3.71 4.51 0.00 -1.26 -4.95 105.19 112.31 2bud n GLY 418 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 5.39 -4.56 0.99 4.32 -1.15 -4.90 117.00 117.10 2bud n LEU 419 Ca 0.00 0.74 -0.42 0.00 -0.02 0.00 0.00 56.01 56.31 2bud n LEU 419 Cb 0.00 -1.53 0.01 0.00 -1.62 0.00 0.00 43.42 40.27 2bud n LEU 419 CO 0.00 -1.28 0.41 0.59 -1.22 0.00 0.00 177.39 175.90 2bud n ASN 420 N -2.35 0.54 -0.09 -1.43 3.02 -1.26 -4.79 115.26 108.90 2bud n ASN 420 Ca 0.15 1.00 0.06 0.00 -0.03 0.00 0.00 54.58 55.76 2bud n ASN 420 Cb 0.49 -1.27 0.41 0.00 -0.61 0.00 0.00 39.78 38.80 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 1.30 0.60 -0.96 3.52 3.08 -1.90 -2.29 114.38 117.73 2bud h ARG 421 Ca -0.43 -0.04 0.21 0.00 0.07 0.00 0.00 59.98 59.79 2bud h ARG 421 Cb 1.36 -0.14 -0.09 0.00 0.08 0.00 0.00 29.97 31.19 2bud h ARG 421 CO 0.55 0.40 0.62 0.07 -1.07 0.00 0.00 179.97 180.54 2bud h ARG 422 N 0.62 0.53 -0.37 0.04 0.11 -2.01 0.16 114.38 113.47 2bud h ARG 422 Ca 0.23 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.27 2bud h ARG 422 Cb 0.14 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.08 2bud h ARG 422 CO -0.06 0.35 0.18 -0.07 0.10 0.00 0.00 179.97 180.47 2bud h LEU 423 N 0.55 0.45 -9.40 0.08 4.07 -1.76 -3.43 115.31 105.87 2bud h LEU 423 Ca 0.53 -0.03 -0.62 0.00 0.08 0.00 0.00 57.88 57.84 2bud h LEU 423 Cb 1.11 -0.11 0.10 0.00 1.08 0.00 0.00 40.66 42.83 2bud h LEU 423 CO -0.27 0.38 0.13 0.47 -1.08 0.00 0.00 178.44 178.08 2bud n ASP 424 N -4.42 1.15 0.00 -0.43 8.00 0.56 -4.87 116.55 116.54 2bud n ASP 424 Ca 0.02 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.69 2bud n ASP 424 Cb 0.11 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 39.97 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 1.53 1.31 3.09 0.44 0.00 -1.16 -5.00 105.19 105.41 2bud n GLY 425 Ca 0.12 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 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 1.03 1.13 0.20 1.61 0.52 -1.26 -1.53 118.94 120.63 2bud s TRP 426 Ca 0.00 -0.24 0.07 0.00 0.02 0.00 0.00 56.10 55.94 2bud s TRP 426 Cb 0.00 -0.71 -0.04 0.00 -1.15 0.00 0.00 33.47 31.57 2bud s TRP 426 CO 0.00 -0.01 0.09 0.14 0.02 0.00 0.00 176.95 177.19 2bud s VAL 427 N -0.42 4.12 0.00 4.03 -7.23 -0.97 -4.89 120.40 115.04 2bud s VAL 427 Ca 0.04 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 2bud s VAL 427 Cb -0.05 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.75 2bud s VAL 427 CO -0.00 -0.20 1.46 0.61 -0.31 0.00 0.00 175.10 176.66 2bud n GLY 428 N -0.56 2.17 5.10 2.32 0.00 -1.26 -2.54 105.19 110.42 2bud n GLY 428 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2bud n GLY 428 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2bud n ARG 429 N 1.06 0.00 0.28 1.61 0.00 -1.24 -4.02 116.66 114.35 2bud n ARG 429 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 2bud n ARG 429 Cb 0.48 0.00 0.64 0.00 0.00 0.00 0.00 32.46 33.58 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 0.00 -0.14 2.07 -1.90 -1.33 115.15 113.85 2bud h HIS 430 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2bud h HIS 430 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2bud h HIS 430 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.40 2bud n ARG 431 N -2.60 0.94 -3.74 5.12 1.74 -1.26 -4.71 116.66 112.14 2bud n ARG 431 Ca -0.02 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.94 2bud n ARG 431 Cb 0.38 -1.09 -0.11 0.00 -1.02 0.00 0.00 32.46 30.62 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 -0.09 -0.00 -0.26 0.55 1.01 -0.50 -1.97 121.20 119.93 2bud s ILE 432 Ca 0.00 0.01 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 2bud s ILE 432 Cb 0.00 -0.52 0.10 0.00 0.01 0.00 0.00 42.46 42.04 2bud s ILE 432 CO 0.00 0.01 0.87 -0.44 0.00 0.00 0.00 174.94 175.38 2bud s SER 433 N 0.34 -0.60 0.61 3.58 0.01 -0.77 -4.98 113.70 111.88 2bud s SER 433 Ca -0.01 1.13 0.30 0.00 1.31 0.00 0.00 55.95 58.68 2bud s SER 433 Cb -0.03 1.13 1.68 0.00 0.21 0.00 0.00 66.02 69.01 2bud s SER 433 CO -0.01 -0.22 2.05 -2.24 0.41 0.00 0.00 173.24 173.23 2bud h ASP 434 N 4.49 0.00 -3.30 2.44 3.04 -1.91 -3.12 116.42 118.07 2bud h ASP 434 Ca -0.28 0.00 -0.64 0.00 -3.24 0.00 0.00 57.03 52.87 2bud h ASP 434 Cb 1.17 0.00 -0.21 0.00 -1.04 0.00 0.00 39.33 39.24 2bud h ASP 434 CO 0.09 0.00 -0.66 0.54 -2.04 0.00 0.00 179.24 177.17 2bud s ASN 435 N -5.40 4.85 0.21 4.15 2.20 -1.26 -4.78 114.94 114.90 2bud s ASN 435 Ca -0.04 -0.12 0.05 0.00 -0.94 0.00 0.00 52.86 51.81 2bud s ASN 435 Cb 0.14 -1.79 0.14 0.00 -2.00 0.00 0.00 41.25 37.74 2bud s ASN 435 CO 0.49 0.17 1.48 0.00 -2.94 0.00 0.00 177.10 176.30 2bud h ALA 436 N 6.72 0.71 -2.30 3.54 0.00 -1.96 -3.32 119.26 122.64 2bud h ALA 436 Ca -0.32 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2bud h ALA 436 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2bud h ALA 436 CO 0.63 0.85 0.00 -0.25 0.00 0.00 0.00 179.25 180.48 2bud n ASP 437 N -3.73 0.00 -0.34 0.00 8.00 -1.26 -0.56 116.55 118.65 2bud n ASP 437 Ca -0.02 0.62 0.22 0.00 0.71 0.00 0.00 54.79 56.31 2bud n ASP 437 Cb 0.71 -0.12 0.46 0.00 -0.02 0.00 0.00 41.12 42.16 2bud n ASP 437 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2bud h ASP 438 N 0.00 0.54 -0.70 -2.24 5.19 -1.99 0.11 116.42 117.33 2bud h ASP 438 Ca 0.00 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 2bud h ASP 438 Cb 0.00 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 2bud h ASP 438 CO 0.00 0.03 0.40 -0.07 -3.12 0.00 0.00 179.24 176.48 2bud h LEU 439 N 0.43 0.86 0.00 1.55 3.38 -1.47 -3.44 115.31 116.62 2bud h LEU 439 Ca 0.66 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.55 2bud h LEU 439 Cb 1.52 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2bud h LEU 439 CO -0.44 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.39 2bud n GLY 440 N -1.12 0.00 1.25 0.83 0.00 0.28 -4.91 105.19 101.52 2bud n GLY 440 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -3.64 3.54 -0.02 0.00 0.15 -3.91 105.19 101.31 2bud n GLY 441 Ca 0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.98 0.00 -3.56 -0.61 2.08 -1.26 -3.19 119.36 109.84 2bud n ILE 442 Ca -0.03 -0.24 -0.24 0.00 0.56 0.00 0.00 62.75 62.80 2bud n ILE 442 Cb 0.46 -1.83 -0.03 0.00 -0.75 0.00 0.00 39.64 37.50 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 8.65 -0.47 -2.79 1.39 5.66 -1.26 -4.84 114.28 120.62 2bud n THR 443 Ca 0.42 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 61.00 2bud n THR 443 Cb 0.44 -1.01 0.01 0.00 -1.55 0.00 0.00 70.33 68.23 2bud n THR 443 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2bud n VAL 444 N -3.66 5.66 -2.00 1.08 0.31 -1.19 -5.03 118.33 113.49 2bud n VAL 444 Ca 0.03 -5.86 -0.41 0.00 -0.01 0.00 0.00 64.34 58.09 2bud n VAL 444 Cb 0.50 -1.85 -0.02 0.00 -0.91 0.00 0.00 33.84 31.56 2bud n VAL 444 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2bud s LEU 445 N -3.37 4.38 0.34 7.52 1.02 -1.26 -4.83 118.68 122.48 2bud s LEU 445 Ca 0.36 2.71 -0.29 0.00 0.02 0.00 0.00 54.13 56.92 2bud s LEU 445 Cb 0.12 -3.63 -0.11 0.00 0.02 0.00 0.00 46.19 42.59 2bud s LEU 445 CO -0.01 -0.71 1.53 -2.16 0.02 0.00 0.00 176.35 175.03 2bud s PRO 446 N -0.62 4.11 -0.29 1.29 0.04 -1.26 -5.01 135.00 133.25 2bud s PRO 446 Ca 0.58 2.58 -0.18 0.00 0.04 0.00 0.00 61.00 64.03 2bud s PRO 446 Cb -0.42 -2.99 0.16 0.00 0.04 0.00 0.00 34.50 31.29 2bud s PRO 446 CO 0.46 -0.58 1.09 0.00 0.04 0.00 0.00 177.00 178.01 2bud s ALA 447 N -0.67 -2.33 0.17 8.56 0.00 -1.26 -5.08 121.76 121.14 2bud s ALA 447 Ca 0.57 2.06 -0.30 0.00 0.00 0.00 0.00 51.96 54.29 2bud s ALA 447 Cb -0.47 -1.75 -0.08 0.00 0.00 0.00 0.00 23.12 20.81 2bud s ALA 447 CO 0.57 -0.30 1.32 -1.25 0.00 0.00 0.00 175.76 176.10 2bud s PRO 448 N 1.01 4.38 0.37 0.00 0.04 -1.26 -4.98 135.00 134.56 2bud s PRO 448 Ca -0.06 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 2bud s PRO 448 Cb -0.04 -3.21 -0.11 0.00 0.04 0.00 0.00 34.50 31.18 2bud s PRO 448 CO -0.13 -0.29 1.44 -2.14 0.04 0.00 0.00 177.00 175.92 2bud s PRO 449 N 0.23 4.13 -0.96 0.56 0.02 -1.26 -3.62 135.00 134.10 2bud s PRO 449 Ca 0.59 2.47 -0.05 0.00 0.02 0.00 0.00 61.00 64.03 2bud s PRO 449 Cb -0.36 -2.96 -0.06 0.00 0.02 0.00 0.00 34.50 31.14 2bud s PRO 449 CO 0.36 -0.47 0.85 1.28 -0.33 0.00 0.00 177.00 178.69 2bud n LEU 450 N 0.48 -5.71 -3.75 -5.54 4.77 -1.26 -5.05 117.00 100.95 2bud n LEU 450 Ca 0.01 -0.58 -0.12 0.00 -0.03 0.00 0.00 56.01 55.29 2bud n LEU 450 Cb 0.40 -3.14 -0.12 0.00 -2.33 0.00 0.00 43.42 38.24 2bud n LEU 450 CO 0.62 -0.10 -0.05 0.00 -1.33 0.00 0.00 177.39 176.54 2bud s ALA 451 N -3.31 -0.74 0.26 -1.18 0.00 -1.24 -5.14 121.76 110.40 2bud s ALA 451 Ca 0.37 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 53.03 2bud s ALA 451 Cb -0.05 -0.60 -0.10 0.00 0.00 0.00 0.00 23.12 22.36 2bud s ALA 451 CO 0.71 -0.18 1.49 -1.25 0.00 0.00 0.00 175.76 176.53 2bud s PRO 452 N 0.68 4.23 0.40 0.00 0.04 -1.26 -4.68 135.00 134.39 2bud s PRO 452 Ca -0.04 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2bud s PRO 452 Cb -0.05 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2bud s PRO 452 CO -0.04 -0.49 0.00 -3.47 0.04 0.00 0.00 177.00 173.04 2bud n ASP 453 N 2.36 -7.78 0.00 6.66 2.03 -1.26 -5.14 116.55 113.42 2bud n ASP 453 Ca 0.07 1.08 0.01 0.00 0.52 0.00 0.00 54.79 56.47 2bud n ASP 453 Cb 0.39 -3.97 0.04 0.00 -0.72 0.00 0.00 41.12 36.87 2bud n ASP 453 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28