#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 0.34 0.00 1.61 0.87 -2.03 -3.42 113.55 110.92 2bud h SER 364 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2bud h SER 364 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2bud h SER 364 CO 0.00 0.28 0.00 1.57 -0.53 0.00 0.00 176.83 178.15 2bud n HIS 365 N -4.86 0.00 -2.63 2.24 -0.00 -1.26 -5.05 115.22 103.66 2bud n HIS 365 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.67 2bud n HIS 365 Cb 0.04 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.06 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 0.00 0.49 -3.11 1.57 1.56 -1.26 -5.06 117.12 111.31 2bud n MET 366 Ca 0.00 -0.83 -0.13 0.00 -0.27 0.00 0.00 57.70 56.47 2bud n MET 366 Cb 0.00 0.05 0.01 0.00 2.15 0.00 0.00 33.22 35.43 2bud n MET 366 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2bud n ASP 367 N -0.56 -6.86 -2.09 6.12 8.00 -1.26 -3.69 116.55 116.20 2bud n ASP 367 Ca -0.16 0.49 -0.09 0.00 0.71 0.00 0.00 54.79 55.74 2bud n ASP 367 Cb 0.68 -3.17 -0.13 0.00 -0.02 0.00 0.00 41.12 38.49 2bud n ASP 367 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2bud n PRO 368 N 0.43 1.52 0.00 -0.24 -0.04 -1.26 0.33 135.00 135.74 2bud n PRO 368 Ca -0.00 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 2bud n PRO 368 Cb 0.44 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 2.56 0.00 -0.19 1.53 -0.00 -1.26 -4.95 117.00 114.69 2bud n LEU 369 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.33 2bud n LEU 369 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.12 2bud n LEU 369 CO 0.14 0.00 0.11 1.15 -0.00 0.00 0.00 177.39 178.79 2bud n MET 370 N -0.11 0.00 -2.63 1.47 0.00 -1.06 -5.01 117.12 109.79 2bud n MET 370 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 57.70 57.54 2bud n MET 370 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 33.22 33.16 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 0.00 -2.09 0.00 3.17 1.13 0.15 -4.55 117.38 115.19 2bud n GLN 371 Ca 0.00 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2bud n GLN 371 Cb 0.51 -3.67 0.00 0.00 0.11 0.00 0.00 30.24 27.18 2bud n GLN 371 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 2bud n LYS 372 N -2.39 0.00 -1.71 -1.09 2.85 -1.26 -4.83 118.16 109.73 2bud n LYS 372 Ca 0.03 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.87 2bud n LYS 372 Cb 0.39 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.74 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 -1.94 0.14 -3.19 0.58 5.41 -1.26 -4.95 119.36 114.14 2bud n ILE 373 Ca 0.00 -0.02 -0.39 0.00 1.00 0.00 0.00 62.75 63.34 2bud n ILE 373 Cb 0.00 -2.05 -0.05 0.00 -0.71 0.00 0.00 39.64 36.83 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 1.76 6.80 -0.03 4.38 1.11 -1.26 -4.96 116.67 124.46 2bud s ASP 374 Ca 0.78 0.96 -0.10 0.00 0.18 0.00 0.00 52.55 54.36 2bud s ASP 374 Cb -0.49 -2.34 -0.31 0.00 1.07 0.00 0.00 42.92 40.85 2bud s ASP 374 CO 0.34 -0.07 0.72 0.40 1.18 0.00 0.00 175.17 177.74 2bud h ILE 375 N 4.78 0.99 -0.10 0.77 2.04 -1.93 -3.41 117.51 120.65 2bud h ILE 375 Ca -0.40 -2.56 -0.51 0.00 1.00 0.00 0.00 64.86 62.38 2bud h ILE 375 Cb 1.18 2.79 0.06 0.00 -0.74 0.00 0.00 36.82 40.11 2bud h ILE 375 CO 0.76 0.85 1.60 -0.24 0.00 0.00 0.00 178.15 181.11 2bud n SER 376 N -3.59 2.10 0.00 1.72 2.88 -1.26 -1.82 113.62 113.66 2bud n SER 376 Ca -0.23 -2.62 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 2bud n SER 376 Cb 1.08 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 7.62 0.00 -2.68 -1.46 0.28 -1.26 -5.01 120.64 118.13 2bud n GLU 377 Ca 0.47 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 57.43 2bud n GLU 377 Cb 0.43 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.38 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 -0.12 -1.49 -0.35 -1.84 2.04 -0.75 -5.02 115.26 107.72 2bud n ASN 378 Ca 0.00 -2.25 0.10 0.00 -0.44 0.00 0.00 54.58 51.99 2bud n ASN 378 Cb 0.00 1.28 0.29 0.00 -2.53 0.00 0.00 39.78 38.82 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 2.16 0.84 -0.33 -0.53 0.11 -1.86 0.73 132.00 133.13 2bud h PRO 379 Ca -0.31 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 2bud h PRO 379 Cb 1.20 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2bud h PRO 379 CO -0.02 0.56 0.07 -0.44 -0.21 0.00 0.00 178.00 177.96 2bud h ASP 380 N 0.87 0.43 -1.64 -2.05 3.32 -1.94 -3.43 116.42 111.98 2bud h ASP 380 Ca 0.54 -0.06 -0.71 0.00 0.02 0.00 0.00 57.03 56.82 2bud h ASP 380 Cb 0.71 -0.11 0.02 0.00 0.22 0.00 0.00 39.33 40.17 2bud h ASP 380 CO -0.32 0.44 0.88 1.17 -1.72 0.00 0.00 179.24 179.70 2bud n LYS 381 N -4.35 1.31 -2.21 3.56 4.81 0.25 -4.87 118.16 116.65 2bud n LYS 381 Ca 0.02 0.48 -0.42 0.00 -0.87 0.00 0.00 58.31 57.51 2bud n LYS 381 Cb 0.18 -2.18 -0.03 0.00 0.02 0.00 0.00 35.03 33.02 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 3.27 3.45 0.01 3.15 -1.09 -1.26 -4.77 121.20 123.95 2bud s ILE 382 Ca 0.96 1.03 0.03 0.00 -2.23 0.00 0.00 60.65 60.43 2bud s ILE 382 Cb -1.00 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 36.19 2bud s ILE 382 CO 0.61 0.07 -0.04 -0.31 -1.23 0.00 0.00 174.94 174.04 2bud s TYR 383 N 1.25 2.96 -0.08 3.97 1.51 -0.75 -4.91 117.35 121.29 2bud s TYR 383 Ca 0.64 0.00 -0.24 0.00 -1.01 0.00 0.00 57.07 56.46 2bud s TYR 383 Cb -0.35 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 2bud s TYR 383 CO 0.30 0.41 0.75 -0.06 -1.11 0.00 0.00 175.55 175.84 2bud s PHE 384 N -1.04 3.55 -0.15 2.71 0.40 -0.50 0.67 117.98 123.62 2bud s PHE 384 Ca 0.18 1.28 -0.01 0.00 -0.60 0.00 0.00 56.93 57.78 2bud s PHE 384 Cb -0.11 -2.88 -0.01 0.00 0.51 0.00 0.00 43.02 40.53 2bud s PHE 384 CO 0.09 0.00 -0.11 0.42 0.70 0.00 0.00 175.22 176.33 2bud s ILE 385 N 1.12 3.19 -0.27 0.64 1.09 0.12 -1.43 121.20 125.66 2bud s ILE 385 Ca 0.39 -0.60 -0.13 0.00 -1.10 0.00 0.00 60.65 59.21 2bud s ILE 385 Cb -0.18 -2.37 -0.05 0.00 -1.06 0.00 0.00 42.46 38.81 2bud s ILE 385 CO 0.18 0.51 0.26 -0.60 -0.10 0.00 0.00 174.94 175.18 2bud s ARG 386 N 0.55 3.99 0.51 2.79 6.06 -0.54 -0.45 118.95 131.86 2bud s ARG 386 Ca -0.07 -0.17 -0.11 0.00 -2.50 0.00 0.00 55.73 52.88 2bud s ARG 386 Cb -0.15 -3.64 -0.05 0.00 0.06 0.00 0.00 34.95 31.16 2bud s ARG 386 CO 0.03 -0.19 0.90 1.03 -2.50 0.00 0.00 175.30 174.58 2bud s ARG 387 N 1.79 3.72 0.28 5.12 0.52 -1.01 -4.73 118.95 124.64 2bud s ARG 387 Ca 0.10 0.61 0.00 0.00 -0.52 0.00 0.00 55.73 55.92 2bud s ARG 387 Cb -0.16 -2.24 0.52 0.00 0.52 0.00 0.00 34.95 33.60 2bud s ARG 387 CO 0.10 -0.28 1.86 1.05 0.02 0.00 0.00 175.30 178.05 2bud h GLU 388 N 0.50 1.01 0.00 3.54 4.11 -1.98 0.11 114.58 121.87 2bud h GLU 388 Ca -0.46 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2bud h GLU 388 Cb 1.19 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2bud h GLU 388 CO 0.62 0.67 0.00 -0.40 0.07 0.00 0.00 179.01 179.97 2bud n ASP 389 N -4.56 0.00 -1.54 3.06 5.75 -1.26 -4.83 116.55 113.16 2bud n ASP 389 Ca 0.17 -0.89 -0.06 0.00 -0.01 0.00 0.00 54.79 54.00 2bud n ASP 389 Cb 0.29 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.41 2bud n ASP 389 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bud n GLY 390 N 0.10 0.38 3.02 6.12 0.00 0.37 -5.05 105.19 110.14 2bud n GLY 390 Ca 0.06 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.10 1.88 0.23 2.61 -4.23 -1.24 -4.85 115.64 106.94 2bud s THR 391 Ca 0.10 -1.35 -0.30 0.00 -1.18 0.00 0.00 61.69 58.96 2bud s THR 391 Cb -0.05 -2.01 -0.09 0.00 1.34 0.00 0.00 72.50 71.70 2bud s THR 391 CO 0.22 0.03 1.30 -0.69 -0.54 0.00 0.00 174.62 174.94 2bud s VAL 392 N 1.25 3.13 -0.16 2.29 1.01 -0.56 -2.40 120.40 124.97 2bud s VAL 392 Ca -0.06 0.97 -0.11 0.00 0.00 0.00 0.00 61.98 62.79 2bud s VAL 392 Cb -0.18 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.63 2bud s VAL 392 CO -0.07 0.16 0.41 -1.00 0.00 0.00 0.00 175.10 174.61 2bud s HIS 393 N -0.16 -0.55 0.74 5.22 3.76 0.40 -4.35 115.29 120.35 2bud s HIS 393 Ca 0.55 1.22 -0.15 0.00 -0.15 0.00 0.00 55.06 56.53 2bud s HIS 393 Cb -0.37 0.23 0.03 0.00 1.11 0.00 0.00 32.58 33.58 2bud s HIS 393 CO 0.41 -0.30 1.18 0.54 -0.85 0.00 0.00 174.74 175.71 2bud n ARG 394 N 3.83 0.56 -3.65 1.40 1.74 -1.26 0.11 116.66 119.40 2bud n ARG 394 Ca -0.20 0.26 -0.01 0.00 -0.77 0.00 0.00 57.85 57.13 2bud n ARG 394 Cb 0.56 -2.42 -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 -1.76 0.37 -0.39 -0.13 0.00 0.21 -1.78 107.32 103.83 2bud s GLY 395 Ca 0.76 3.52 -0.17 0.00 0.00 0.00 0.00 44.72 48.84 2bud s GLY 395 CO 0.47 2.52 0.44 1.20 0.00 0.00 0.00 173.10 177.73 2bud s GLN 396 N 0.89 3.30 0.29 2.90 -0.21 0.19 -1.81 119.66 125.20 2bud s GLN 396 Ca -0.05 -0.57 -0.30 0.00 0.02 0.00 0.00 55.36 54.47 2bud s GLN 396 Cb -0.03 -3.90 -0.11 0.00 1.00 0.00 0.00 33.01 29.97 2bud s GLN 396 CO -0.12 -0.75 1.48 0.08 -2.12 0.00 0.00 175.29 173.86 2bud s VAL 397 N 2.18 2.42 0.00 1.09 1.01 -1.26 -0.99 120.40 124.85 2bud s VAL 397 Ca 0.13 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2bud s VAL 397 Cb -0.17 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2bud s VAL 397 CO 0.13 0.06 0.00 0.18 0.00 0.00 0.00 175.10 175.48 2bud n LEU 398 N 1.90 2.63 -4.26 3.92 4.77 -0.48 -4.92 117.00 120.56 2bud n LEU 398 Ca 0.06 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.87 2bud n LEU 398 Cb 0.39 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 2bud n LEU 398 CO 0.62 0.44 -0.15 -1.10 -1.33 0.00 0.00 177.39 175.87 2bud s GLN 399 N -1.98 1.59 -0.08 3.23 -0.21 -1.25 -4.97 119.66 115.99 2bud s GLN 399 Ca 0.00 -1.90 -0.30 0.00 0.02 0.00 0.00 55.36 53.18 2bud s GLN 399 Cb 0.00 0.31 0.09 0.00 1.00 0.00 0.00 33.01 34.41 2bud s GLN 399 CO 0.00 -0.57 0.81 -1.54 -2.12 0.00 0.00 175.29 171.87 2bud s SER 400 N -3.31 -0.53 -0.22 5.90 1.04 -1.26 0.39 113.70 115.70 2bud s SER 400 Ca 0.40 0.53 -0.16 0.00 0.48 0.00 0.00 55.95 57.20 2bud s SER 400 Cb 0.04 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.67 2bud s SER 400 CO 0.23 -0.52 0.57 0.00 0.98 0.00 0.00 173.24 174.50 2bud s ARG 401 N -1.37 0.62 0.18 4.02 1.70 -0.25 -4.95 118.95 118.90 2bud s ARG 401 Ca -0.06 0.93 -0.30 0.00 -0.47 0.00 0.00 55.73 55.83 2bud s ARG 401 Cb -0.00 0.19 -0.08 0.00 -0.57 0.00 0.00 34.95 34.49 2bud s ARG 401 CO 0.05 -0.12 1.01 0.95 -1.08 0.00 0.00 175.30 176.10 2bud s THR 402 N 0.97 4.11 0.63 4.99 -4.23 -1.26 -0.60 115.64 120.26 2bud s THR 402 Ca -0.05 1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 62.25 2bud s THR 402 Cb -0.05 -4.21 0.16 0.00 1.34 0.00 0.00 72.50 69.74 2bud s THR 402 CO -0.09 0.36 0.44 0.41 -0.54 0.00 0.00 174.62 175.20 2bud n THR 403 N 2.17 0.00 -0.30 3.99 -1.04 -1.07 -4.70 114.28 113.34 2bud n THR 403 Ca 0.01 -0.08 0.11 0.00 -2.04 0.00 0.00 64.05 62.05 2bud n THR 403 Cb 0.47 -0.70 0.28 0.00 -1.82 0.00 0.00 70.33 68.56 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 0.40 -0.23 -2.82 5.08 -1.96 -1.64 114.58 113.41 2bud h GLU 404 Ca -0.18 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2bud h GLU 404 Cb 0.59 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 2bud h GLU 404 CO 0.11 0.27 -0.03 -0.97 -1.00 0.00 0.00 179.01 177.39 2bud h ASN 405 N 0.41 -0.15 -5.67 1.42 -1.24 -1.94 -3.47 115.58 104.94 2bud h ASN 405 Ca 0.52 0.06 -0.30 0.00 0.71 0.00 0.00 56.30 57.29 2bud h ASN 405 Cb 0.95 0.12 0.17 0.00 0.73 0.00 0.00 38.32 40.28 2bud h ASN 405 CO -0.50 -0.05 -0.87 0.00 -1.29 0.00 0.00 177.43 174.72 2bud n ALA 406 N -2.40 -2.46 -1.51 1.57 0.00 -0.62 -4.89 120.51 110.20 2bud n ALA 406 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2bud n ALA 406 Cb 0.13 -5.10 0.00 0.00 0.00 0.00 0.00 19.45 14.48 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 -3.55 0.00 0.00 0.00 0.00 -1.26 -4.99 120.51 110.71 2bud n ALA 407 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2bud n ALA 407 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.67 0.00 0.00 -1.26 -5.13 120.51 112.45 2bud n ALA 408 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2bud n ALA 408 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.94 1.82 -3.65 0.00 -0.04 -1.26 -4.96 135.00 124.97 2bud n PRO 409 Ca 0.00 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 2bud n PRO 409 Cb 0.00 -2.22 -0.06 0.00 -0.04 0.00 0.00 33.50 31.18 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 -0.49 -0.13 -0.11 3.54 -4.77 -1.26 -2.58 116.67 110.87 2bud s ASP 410 Ca 0.59 0.22 -0.02 0.00 -3.30 0.00 0.00 52.55 50.04 2bud s ASP 410 Cb -0.57 0.88 -0.03 0.00 -1.09 0.00 0.00 42.92 42.11 2bud s ASP 410 CO 0.60 -0.04 -0.03 -1.61 0.70 0.00 0.00 175.17 174.79 2bud s GLU 411 N 0.88 3.25 -0.23 2.11 2.02 0.23 -4.26 118.70 122.70 2bud s GLU 411 Ca -0.05 -0.49 -0.06 0.00 0.02 0.00 0.00 54.97 54.40 2bud s GLU 411 Cb -0.03 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 2bud s GLU 411 CO -0.11 0.49 0.01 0.71 0.02 0.00 0.00 175.26 176.38 2bud s TYR 412 N -0.30 3.03 0.33 1.61 1.51 0.05 -1.09 117.35 122.49 2bud s TYR 412 Ca 0.05 -0.64 -0.29 0.00 -1.01 0.00 0.00 57.07 55.19 2bud s TYR 412 Cb -0.12 -2.16 -0.11 0.00 -0.11 0.00 0.00 41.96 39.45 2bud s TYR 412 CO 0.02 -0.42 1.53 -0.47 -1.11 0.00 0.00 175.55 175.10 2bud s TYR 413 N 1.48 2.69 -0.03 2.71 5.04 0.16 -2.80 117.35 126.60 2bud s TYR 413 Ca 0.06 0.98 0.01 0.00 -2.44 0.00 0.00 57.07 55.68 2bud s TYR 413 Cb -0.15 -4.03 0.02 0.00 0.35 0.00 0.00 41.96 38.16 2bud s TYR 413 CO 0.01 -3.24 -0.01 0.54 -1.34 0.00 0.00 175.55 171.50 2bud s VAL 414 N -0.54 0.27 -0.81 3.14 0.11 -1.04 -1.38 120.40 120.15 2bud s VAL 414 Ca 0.58 0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 59.53 2bud s VAL 414 Cb -0.47 -0.34 0.21 0.00 -1.53 0.00 0.00 36.38 34.25 2bud s VAL 414 CO 0.55 0.16 0.73 -2.28 -3.33 0.00 0.00 175.10 170.93 2bud s HIS 415 N 0.91 3.73 -0.17 1.54 2.46 -0.16 -3.42 115.29 120.19 2bud s HIS 415 Ca -0.10 -2.16 -0.40 0.00 0.47 0.00 0.00 55.06 52.87 2bud s HIS 415 Cb -0.13 -3.72 -0.17 0.00 -0.13 0.00 0.00 32.58 28.44 2bud s HIS 415 CO -0.01 -0.96 1.55 0.66 -2.47 0.00 0.00 174.74 173.51 2bud n TYR 416 N 3.80 1.74 -2.42 3.88 4.02 -1.26 -0.63 117.16 126.29 2bud n TYR 416 Ca 0.14 0.68 -0.42 0.00 -0.01 0.00 0.00 57.90 58.28 2bud n TYR 416 Cb 0.45 -2.37 -0.03 0.00 -0.02 0.00 0.00 39.34 37.38 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 2.26 4.17 0.00 -0.72 1.01 -0.73 -3.59 120.40 122.79 2bud s VAL 417 Ca 0.94 1.50 0.00 0.00 0.00 0.00 0.00 61.98 64.43 2bud s VAL 417 Cb -1.10 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 31.32 2bud s VAL 417 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2bud n GLY 418 N 3.40 1.14 3.75 4.51 0.00 -1.26 -4.62 105.19 112.10 2bud n GLY 418 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2bud n GLY 418 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bud s LEU 419 N 0.00 3.52 0.93 0.99 1.02 -1.24 -4.98 118.68 118.93 2bud s LEU 419 Ca 0.00 2.33 -0.11 0.00 0.02 0.00 0.00 54.13 56.37 2bud s LEU 419 Cb 0.00 -4.59 0.12 0.00 0.02 0.00 0.00 46.19 41.74 2bud s LEU 419 CO 0.00 -1.80 0.94 -3.20 0.02 0.00 0.00 176.35 172.31 2bud n ASN 420 N -2.04 -0.38 0.27 2.29 5.15 -1.26 -4.79 115.26 114.50 2bud n ASN 420 Ca 0.13 0.39 0.11 0.00 -0.60 0.00 0.00 54.58 54.61 2bud n ASN 420 Cb 0.50 -1.40 0.74 0.00 -0.53 0.00 0.00 39.78 39.09 2bud n ASN 420 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2bud h ARG 421 N -1.82 0.00 -0.92 1.20 3.08 -1.93 -2.47 114.38 111.52 2bud h ARG 421 Ca -0.43 0.00 0.19 0.00 0.07 0.00 0.00 59.98 59.80 2bud h ARG 421 Cb 1.27 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.25 2bud h ARG 421 CO 0.39 0.08 0.60 -0.09 -1.07 0.00 0.00 179.97 179.88 2bud h ARG 422 N 0.00 0.52 -0.20 0.04 2.43 -2.00 0.10 114.38 115.26 2bud h ARG 422 Ca -0.00 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 2bud h ARG 422 Cb 0.19 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2bud h ARG 422 CO 0.01 0.34 -0.38 -0.07 -1.51 0.00 0.00 179.97 178.37 2bud h LEU 423 N 0.54 0.47 -9.28 3.80 -0.00 -1.79 -3.45 115.31 105.60 2bud h LEU 423 Ca 0.49 -0.20 -0.63 0.00 -0.00 0.00 0.00 57.88 57.54 2bud h LEU 423 Cb 1.02 -0.13 0.11 0.00 -0.00 0.00 0.00 40.66 41.67 2bud h LEU 423 CO -0.22 0.81 -0.17 0.47 -0.00 0.00 0.00 178.44 179.33 2bud n ASP 424 N -4.04 0.13 0.00 -0.43 9.92 0.02 -4.89 116.55 117.25 2bud n ASP 424 Ca -0.01 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.38 2bud n ASP 424 Cb 0.48 -1.14 0.00 0.00 -0.64 0.00 0.00 41.12 39.82 2bud n ASP 424 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bud n GLY 425 N 1.57 1.16 3.08 0.44 0.00 -1.22 -5.04 105.19 105.17 2bud n GLY 425 Ca 0.13 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 0.45 1.22 0.09 1.61 0.52 -1.26 -2.49 118.94 119.08 2bud s TRP 426 Ca 0.00 -0.27 0.08 0.00 0.02 0.00 0.00 56.10 55.93 2bud s TRP 426 Cb 0.00 -0.81 -0.03 0.00 -1.15 0.00 0.00 33.47 31.48 2bud s TRP 426 CO 0.00 -0.06 -0.20 0.14 0.02 0.00 0.00 176.95 176.85 2bud s VAL 427 N -0.14 1.63 -0.05 4.03 -7.23 -1.12 -4.92 120.40 112.59 2bud s VAL 427 Ca 0.02 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 2bud s VAL 427 Cb -0.07 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.39 2bud s VAL 427 CO 0.00 -0.06 0.83 0.61 -0.31 0.00 0.00 175.10 176.17 2bud n GLY 428 N 1.18 1.68 4.54 2.32 0.00 -1.26 -0.77 105.19 112.88 2bud n GLY 428 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.55 0.00 -0.13 1.61 3.00 -1.26 -4.63 116.66 115.80 2bud n ARG 429 Ca 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 57.85 58.10 2bud n ARG 429 Cb 0.41 -0.07 0.69 0.00 0.00 0.00 0.00 32.46 33.50 2bud n ARG 429 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2bud h HIS 430 N 0.00 0.05 0.04 -0.14 3.86 -1.94 0.51 115.15 117.53 2bud h HIS 430 Ca 0.00 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.99 2bud h HIS 430 Cb 0.00 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 2bud h HIS 430 CO 0.00 0.01 -1.02 0.00 0.86 0.00 0.00 177.93 177.79 2bud h ARG 431 N 0.04 0.14 -5.92 2.45 3.08 -1.85 -3.45 114.38 108.88 2bud h ARG 431 Ca 0.38 -0.20 -0.57 0.00 0.07 0.00 0.00 59.98 59.66 2bud h ARG 431 Cb 1.45 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.50 2bud h ARG 431 CO -0.02 1.04 0.01 0.42 -1.07 0.00 0.00 179.97 180.35 2bud s ILE 432 N -2.88 5.09 -0.22 2.04 1.01 0.17 -1.46 121.20 124.95 2bud s ILE 432 Ca -0.02 1.27 -0.27 0.00 0.00 0.00 0.00 60.65 61.63 2bud s ILE 432 Cb 0.09 -3.96 0.10 0.00 0.01 0.00 0.00 42.46 38.70 2bud s ILE 432 CO 0.84 0.27 0.89 -0.44 0.00 0.00 0.00 174.94 176.50 2bud s SER 433 N 0.75 -0.54 0.00 3.58 0.01 -0.52 -4.93 113.70 112.06 2bud s SER 433 Ca 0.33 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.48 2bud s SER 433 Cb -0.17 0.85 0.00 0.00 0.21 0.00 0.00 66.02 66.91 2bud s SER 433 CO 0.15 -0.29 0.46 -0.90 0.41 0.00 0.00 173.24 173.07 2bud n ASP 434 N 1.81 0.44 -3.64 2.44 5.75 -1.26 -1.41 116.55 120.68 2bud n ASP 434 Ca -0.13 -1.36 -0.11 0.00 -0.01 0.00 0.00 54.79 53.17 2bud n ASP 434 Cb 0.56 -0.22 -0.07 0.00 -1.03 0.00 0.00 41.12 40.36 2bud n ASP 434 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bud s ASN 435 N -0.67 -0.80 0.42 -1.12 2.20 -1.26 -4.94 114.94 108.77 2bud s ASN 435 Ca 0.00 1.42 0.20 0.00 -0.94 0.00 0.00 52.86 53.54 2bud s ASN 435 Cb 0.00 1.37 0.89 0.00 -2.00 0.00 0.00 41.25 41.52 2bud s ASN 435 CO 0.00 -0.24 1.84 0.00 -2.94 0.00 0.00 177.10 175.76 2bud h ALA 436 N 5.89 1.15 -0.98 3.54 0.00 -1.95 -3.22 119.26 123.69 2bud h ALA 436 Ca -0.30 -0.27 0.27 0.00 0.00 0.00 0.00 54.91 54.61 2bud h ALA 436 Cb 1.19 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 2bud h ALA 436 CO 0.11 0.38 0.53 -0.44 0.00 0.00 0.00 179.25 179.83 2bud h ASP 437 N 0.00 0.51 0.40 0.00 3.32 -1.93 0.49 116.42 119.21 2bud h ASP 437 Ca -0.00 0.17 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 2bud h ASP 437 Cb 0.70 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 2bud h ASP 437 CO 0.04 -0.03 -0.67 0.44 -1.72 0.00 0.00 179.24 177.30 2bud h ASP 438 N 0.42 0.29 0.00 6.45 3.32 -1.98 -3.37 116.42 121.55 2bud h ASP 438 Ca 0.66 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.53 2bud h ASP 438 Cb 1.37 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2bud h ASP 438 CO -0.55 0.88 0.00 0.18 -1.72 0.00 0.00 179.24 178.03 2bud n LEU 439 N -3.83 1.51 -1.18 1.55 4.32 0.15 -4.91 117.00 114.62 2bud n LEU 439 Ca -0.03 0.03 -0.01 0.00 -0.02 0.00 0.00 56.01 55.99 2bud n LEU 439 Cb 0.66 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.45 2bud n LEU 439 CO 0.45 0.00 0.19 0.61 -1.22 0.00 0.00 177.39 177.43 2bud n GLY 440 N 2.42 0.78 3.84 -0.72 0.00 -0.16 -5.02 105.19 106.32 2bud n GLY 440 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 0.25 -0.61 2.07 -0.02 0.00 0.04 -4.28 105.19 102.65 2bud n GLY 441 Ca -0.07 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.36-12.21 -3.64 -0.61 2.08 -1.26 -4.95 119.36 94.42 2bud n ILE 442 Ca -0.20 2.90 -0.07 0.00 0.56 0.00 0.00 62.75 65.94 2bud n ILE 442 Cb 0.64 -5.52 -0.07 0.00 -0.75 0.00 0.00 39.64 33.93 2bud n ILE 442 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2bud s THR 443 N -0.50 0.00 -1.09 1.39 2.01 -1.26 -4.99 115.64 111.20 2bud s THR 443 Ca 0.00 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.81 2bud s THR 443 Cb 0.00 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 2bud s THR 443 CO 0.00 0.00 0.76 0.52 -0.69 0.00 0.00 174.62 175.21 2bud n VAL 444 N 4.07 -5.55 -3.23 3.82 0.31 -1.26 -1.50 118.33 115.00 2bud n VAL 444 Ca -0.19 -0.78 -0.39 0.00 -0.01 0.00 0.00 64.34 62.97 2bud n VAL 444 Cb 0.58 -4.15 -0.06 0.00 -0.91 0.00 0.00 33.84 29.31 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 -6.27 4.38 0.41 7.52 2.01 -1.26 -4.50 118.68 120.96 2bud s LEU 445 Ca 0.40 1.08 -0.26 0.00 0.01 0.00 0.00 54.13 55.36 2bud s LEU 445 Cb -0.16 -2.87 -0.10 0.00 0.01 0.00 0.00 46.19 43.07 2bud s LEU 445 CO 0.87 0.07 1.33 -2.65 1.01 0.00 0.00 176.35 176.98 2bud n PRO 446 N 2.99 2.12 -3.59 1.29 -0.02 -1.26 -5.02 135.00 131.51 2bud n PRO 446 Ca -0.07 0.75 -0.02 0.00 -2.02 0.00 0.00 63.50 62.15 2bud n PRO 446 Cb 0.51 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 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 -1.17 -2.32 0.17 3.55 0.00 -1.26 -5.15 121.76 115.58 2bud s ALA 447 Ca 0.59 2.20 -0.30 0.00 0.00 0.00 0.00 51.96 54.45 2bud s ALA 447 Cb -0.50 -1.77 -0.08 0.00 0.00 0.00 0.00 23.12 20.77 2bud s ALA 447 CO 0.59 -0.53 1.30 -1.25 0.00 0.00 0.00 175.76 175.88 2bud s PRO 448 N 1.72 4.39 0.19 0.00 0.04 -1.26 -4.97 135.00 135.12 2bud s PRO 448 Ca -0.07 2.01 -0.32 0.00 0.04 0.00 0.00 61.00 62.66 2bud s PRO 448 Cb -0.05 -3.22 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 2bud s PRO 448 CO -0.16 -0.27 1.67 -2.14 0.04 0.00 0.00 177.00 176.14 2bud s PRO 449 N 0.20 4.16 0.36 0.56 0.02 -1.26 -4.60 135.00 134.43 2bud s PRO 449 Ca 0.58 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.12 2bud s PRO 449 Cb -0.35 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.06 2bud s PRO 449 CO 0.36 -0.70 0.00 1.28 -0.33 0.00 0.00 177.00 177.60 2bud n LEU 450 N 4.00 -4.65 -4.69 -5.54 4.77 -1.26 -4.80 117.00 104.84 2bud n LEU 450 Ca 0.15 2.71 -0.42 0.00 -0.03 0.00 0.00 56.01 58.42 2bud n LEU 450 Cb 0.36 -2.47 -0.03 0.00 -2.33 0.00 0.00 43.42 38.96 2bud n LEU 450 CO 0.63 -0.26 1.46 0.00 -1.33 0.00 0.00 177.39 177.89 2bud s ALA 451 N -2.25 3.72 0.00 -1.18 0.00 -1.26 -4.86 121.76 115.92 2bud s ALA 451 Ca 0.00 1.37 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 2bud s ALA 451 Cb 0.00 -3.76 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 2bud s ALA 451 CO 0.00 -1.26 2.20 -2.30 0.00 0.00 0.00 175.76 174.39 2bud n PRO 452 N 6.00 1.13 -3.70 0.00 -0.02 -1.26 -4.74 135.00 132.40 2bud n PRO 452 Ca 0.18 -0.18 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 2bud n PRO 452 Cb 0.39 -1.21 -0.10 0.00 -0.02 0.00 0.00 33.50 32.57 2bud n PRO 452 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2bud s ASP 453 N 2.01 -0.54 0.00 2.55 1.01 -1.26 -5.28 116.67 115.15 2bud s ASP 453 Ca 0.12 0.99 0.00 0.00 0.71 0.00 0.00 52.55 54.37 2bud s ASP 453 Cb 0.06 0.94 0.00 0.00 1.01 0.00 0.00 42.92 44.93 2bud s ASP 453 CO 0.00 -0.18 0.00 0.00 0.21 0.00 0.00 175.17 175.20