#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 -0.89 -3.50 1.61 3.41 -1.26 -5.00 113.62 107.99 2bud n SER 364 Ca 0.00 -1.63 -0.19 0.00 -0.26 0.00 0.00 58.87 56.79 2bud n SER 364 Cb 0.00 0.59 0.06 0.00 -0.26 0.00 0.00 64.21 64.60 2bud n SER 364 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2bud n HIS 365 N -0.55 -2.13 -1.69 7.33 -0.00 -1.26 -4.87 115.22 112.05 2bud n HIS 365 Ca -0.13 0.86 -0.45 0.00 -0.00 0.00 0.00 57.72 58.00 2bud n HIS 365 Cb 0.66 -4.55 -0.04 0.00 -0.00 0.00 0.00 29.99 26.06 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 -4.00 2.42 -2.02 1.57 0.00 -1.26 -4.90 117.12 108.94 2bud n MET 366 Ca -0.24 0.88 -0.42 0.00 -0.00 0.00 0.00 57.70 57.92 2bud n MET 366 Cb 0.66 -2.69 -0.03 0.00 0.00 0.00 0.00 33.22 31.16 2bud n MET 366 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 2bud s ASP 367 N 1.62 6.68 -0.38 6.12 1.47 -1.26 -4.90 116.67 126.01 2bud s ASP 367 Ca 0.80 2.26 -0.02 0.00 1.18 0.00 0.00 52.55 56.76 2bud s ASP 367 Cb -0.60 -2.54 0.16 0.00 -0.34 0.00 0.00 42.92 39.59 2bud s ASP 367 CO 0.38 -0.90 2.34 -0.81 0.68 0.00 0.00 175.17 176.86 2bud n PRO 368 N 6.76 2.08 0.00 2.11 -0.04 -1.26 -4.11 135.00 140.54 2bud n PRO 368 Ca 0.17 -1.94 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 2bud n PRO 368 Cb 0.43 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 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 0.53 0.00 -1.94 1.53 -0.00 -1.26 -4.88 117.00 110.98 2bud n LEU 369 Ca 0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 56.28 2bud n LEU 369 Cb 0.58 0.08 -0.09 0.00 -0.00 0.00 0.00 43.42 43.98 2bud n LEU 369 CO 0.37 -0.08 1.42 0.80 -0.00 0.00 0.00 177.39 179.91 2bud n MET 370 N -1.51 1.79 -0.81 1.47 1.56 -1.26 -4.62 117.12 113.75 2bud n MET 370 Ca 0.00 -1.00 -0.09 0.00 -0.27 0.00 0.00 57.70 56.33 2bud n MET 370 Cb 0.00 -1.73 -0.04 0.00 2.15 0.00 0.00 33.22 33.60 2bud n MET 370 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 2bud n GLN 371 N 1.79 1.56 -1.15 2.12 1.13 -1.26 -4.91 117.38 116.66 2bud n GLN 371 Ca 0.32 -0.82 0.00 0.00 -1.94 0.00 0.00 57.00 54.56 2bud n GLN 371 Cb 0.72 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.59 2bud n GLN 371 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2bud n LYS 372 N 1.42 -3.29 -2.81 -1.09 4.76 -1.26 -4.96 118.16 110.93 2bud n LYS 372 Ca 0.22 2.44 -0.00 0.00 -2.87 0.00 0.00 58.31 58.10 2bud n LYS 372 Cb 0.62 -2.75 -0.00 0.00 -1.84 0.00 0.00 35.03 31.06 2bud n LYS 372 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2bud n ILE 373 N -0.85 -9.93 -3.30 -0.18 5.41 -1.26 -4.98 119.36 104.27 2bud n ILE 373 Ca 0.00 1.63 -0.37 0.00 1.00 0.00 0.00 62.75 65.01 2bud n ILE 373 Cb 0.00 -6.04 -0.06 0.00 -0.71 0.00 0.00 39.64 32.83 2bud n ILE 373 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2bud s ASP 374 N -1.41 6.95 0.07 4.38 -1.08 -1.26 -5.00 116.67 119.32 2bud s ASP 374 Ca -0.02 1.18 -0.17 0.00 -0.52 0.00 0.00 52.55 53.03 2bud s ASP 374 Cb 0.00 -2.33 -0.13 0.00 -1.46 0.00 0.00 42.92 39.00 2bud s ASP 374 CO 0.62 0.17 1.33 0.40 0.52 0.00 0.00 175.17 178.21 2bud h ILE 375 N 3.12 1.33 -0.04 4.11 5.03 -1.90 -3.09 117.51 126.07 2bud h ILE 375 Ca -0.49 -1.61 0.01 0.00 -0.12 0.00 0.00 64.86 62.65 2bud h ILE 375 Cb 1.20 1.88 -0.00 0.00 -3.03 0.00 0.00 36.82 36.87 2bud h ILE 375 CO 0.65 0.50 0.55 0.28 -0.68 0.00 0.00 178.15 179.45 2bud h SER 376 N 0.26 0.00 -0.24 1.72 0.02 -1.93 -0.57 113.55 112.81 2bud h SER 376 Ca 0.01 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2bud h SER 376 Cb 0.97 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 2bud h SER 376 CO 0.08 0.00 0.10 -0.33 -1.14 0.00 0.00 176.83 175.54 2bud h GLU 377 N 0.00 0.21 -0.09 3.45 4.39 -1.96 -3.42 114.58 117.16 2bud h GLU 377 Ca 0.02 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2bud h GLU 377 Cb 1.13 -0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 29.59 2bud h GLU 377 CO -0.00 0.14 -0.11 0.27 -1.16 0.00 0.00 179.01 178.14 2bud n ASN 378 N -5.02 -1.53 -0.35 1.42 2.04 -0.26 -5.04 115.26 106.53 2bud n ASN 378 Ca -0.02 -1.65 0.12 0.00 -0.44 0.00 0.00 54.58 52.60 2bud n ASN 378 Cb 0.08 0.83 0.31 0.00 -2.53 0.00 0.00 39.78 38.47 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 3.61 0.74 -0.63 -0.53 0.11 -1.69 -0.07 132.00 133.55 2bud h PRO 379 Ca -0.14 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.89 2bud h PRO 379 Cb 1.18 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 2bud h PRO 379 CO -0.12 0.49 0.27 -0.44 -0.21 0.00 0.00 178.00 177.99 2bud h ASP 380 N 0.76 0.82 -1.83 -2.05 5.19 -1.90 -3.38 116.42 114.03 2bud h ASP 380 Ca 0.57 -0.10 -0.66 0.00 -0.62 0.00 0.00 57.03 56.22 2bud h ASP 380 Cb 0.87 -0.21 0.05 0.00 0.18 0.00 0.00 39.33 40.22 2bud h ASP 380 CO -0.38 0.72 0.67 1.17 -3.12 0.00 0.00 179.24 178.30 2bud n LYS 381 N -4.33 1.49 -2.39 3.56 4.81 -0.04 -4.89 118.16 116.37 2bud n LYS 381 Ca 0.06 0.54 -0.42 0.00 -0.87 0.00 0.00 58.31 57.62 2bud n LYS 381 Cb 0.15 -2.24 -0.03 0.00 0.02 0.00 0.00 35.03 32.93 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 1.42 3.76 0.04 3.15 -1.09 -1.26 -4.54 121.20 122.68 2bud s ILE 382 Ca 0.86 1.37 0.08 0.00 -2.23 0.00 0.00 60.65 60.73 2bud s ILE 382 Cb -0.88 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.09 2bud s ILE 382 CO 0.48 0.16 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.81 2bud s TYR 383 N 0.49 2.40 0.11 3.97 1.51 -0.65 -4.90 117.35 120.28 2bud s TYR 383 Ca 0.56 -0.36 -0.24 0.00 -1.01 0.00 0.00 57.07 56.02 2bud s TYR 383 Cb -0.31 -1.43 -0.07 0.00 -0.11 0.00 0.00 41.96 40.04 2bud s TYR 383 CO 0.33 0.16 0.72 -0.06 -1.11 0.00 0.00 175.55 175.58 2bud s PHE 384 N -0.83 3.84 -0.15 2.71 0.40 -1.07 0.12 117.98 123.01 2bud s PHE 384 Ca 0.12 1.50 0.00 0.00 -0.60 0.00 0.00 56.93 57.96 2bud s PHE 384 Cb -0.10 -2.71 -0.00 0.00 0.51 0.00 0.00 43.02 40.71 2bud s PHE 384 CO 0.03 0.47 -0.16 0.42 0.70 0.00 0.00 175.22 176.68 2bud s ILE 385 N -0.86 2.67 -0.42 0.64 1.09 0.41 -1.66 121.20 123.08 2bud s ILE 385 Ca 0.35 -0.77 -0.21 0.00 -1.10 0.00 0.00 60.65 58.91 2bud s ILE 385 Cb -0.22 -2.12 0.02 0.00 -1.06 0.00 0.00 42.46 39.08 2bud s ILE 385 CO 0.24 0.52 0.68 -0.60 -0.10 0.00 0.00 174.94 175.68 2bud s ARG 386 N 0.72 3.43 0.69 2.79 3.52 0.33 -0.91 118.95 129.53 2bud s ARG 386 Ca -0.07 -0.17 -0.13 0.00 -0.13 0.00 0.00 55.73 55.24 2bud s ARG 386 Cb -0.16 -3.90 0.01 0.00 -1.56 0.00 0.00 34.95 29.34 2bud s ARG 386 CO 0.01 -0.96 1.08 1.03 -0.81 0.00 0.00 175.30 175.66 2bud s ARG 387 N 2.92 2.75 0.30 5.12 0.52 -1.02 -4.72 118.95 124.82 2bud s ARG 387 Ca 0.25 1.18 0.06 0.00 -0.52 0.00 0.00 55.73 56.70 2bud s ARG 387 Cb -0.14 -1.96 0.78 0.00 0.52 0.00 0.00 34.95 34.15 2bud s ARG 387 CO 0.19 -1.26 1.73 0.93 0.02 0.00 0.00 175.30 176.91 2bud h GLU 388 N -0.46 0.56 -0.18 3.54 5.08 -1.97 0.73 114.58 121.89 2bud h GLU 388 Ca -0.45 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 57.72 2bud h GLU 388 Cb 1.23 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2bud h GLU 388 CO 0.54 0.37 -0.56 0.38 -1.00 0.00 0.00 179.01 178.74 2bud h ASP 389 N 0.57 0.61 0.00 1.42 2.03 -2.00 -3.47 116.42 115.58 2bud h ASP 389 Ca 0.59 -0.33 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 2bud h ASP 389 Cb 1.05 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 2bud h ASP 389 CO -0.46 1.04 0.00 0.61 -1.03 0.00 0.00 179.24 179.40 2bud n GLY 390 N 0.27 1.31 3.60 7.15 0.00 0.25 -5.10 105.19 112.67 2bud n GLY 390 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 2bud n GLY 390 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bud n THR 391 N 0.00 0.41 -3.04 2.61 -2.24 -1.26 -3.37 114.28 107.39 2bud n THR 391 Ca 0.00 -0.38 -0.38 0.00 -2.27 0.00 0.00 64.05 61.02 2bud n THR 391 Cb 0.00 -2.41 -0.06 0.00 -2.10 0.00 0.00 70.33 65.76 2bud n THR 391 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2bud s VAL 392 N 7.44 4.45 -0.07 2.28 1.01 -1.26 -2.42 120.40 131.83 2bud s VAL 392 Ca 1.00 1.56 -0.07 0.00 0.00 0.00 0.00 61.98 64.47 2bud s VAL 392 Cb -0.42 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 31.93 2bud s VAL 392 CO 0.38 0.45 0.20 -1.00 0.00 0.00 0.00 175.10 175.13 2bud s HIS 393 N -1.24 -0.22 0.69 5.22 3.76 -0.09 -4.45 115.29 118.96 2bud s HIS 393 Ca 0.37 0.53 -0.17 0.00 -0.15 0.00 0.00 55.06 55.64 2bud s HIS 393 Cb -0.21 0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.54 2bud s HIS 393 CO 0.24 -0.10 0.89 0.54 -0.85 0.00 0.00 174.74 175.46 2bud n ARG 394 N 2.98 0.58 -3.56 1.40 1.74 -1.26 -0.45 116.66 118.09 2bud n ARG 394 Ca -0.13 0.25 0.03 0.00 -0.77 0.00 0.00 57.85 57.23 2bud n ARG 394 Cb 0.59 -2.14 -0.06 0.00 -1.02 0.00 0.00 32.46 29.83 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 -1.50 0.58 -0.03 -0.13 0.00 0.32 -3.41 107.32 103.15 2bud s GLY 395 Ca 0.73 3.82 -0.25 0.00 0.00 0.00 0.00 44.72 49.01 2bud s GLY 395 CO 0.50 2.89 0.79 1.20 0.00 0.00 0.00 173.10 178.48 2bud s GLN 396 N 1.23 4.48 0.08 2.90 -0.21 0.43 -1.64 119.66 126.93 2bud s GLN 396 Ca -0.07 1.06 -0.28 0.00 0.02 0.00 0.00 55.36 56.10 2bud s GLN 396 Cb -0.02 -3.44 -0.06 0.00 1.00 0.00 0.00 33.01 30.50 2bud s GLN 396 CO -0.11 0.07 0.88 0.08 -2.12 0.00 0.00 175.29 174.09 2bud s VAL 397 N 0.72 4.60 0.00 1.09 1.01 -1.26 -0.56 120.40 126.00 2bud s VAL 397 Ca 0.42 1.89 0.00 0.00 0.00 0.00 0.00 61.98 64.28 2bud s VAL 397 Cb -0.19 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2bud s VAL 397 CO 0.22 0.34 0.00 0.18 0.00 0.00 0.00 175.10 175.83 2bud n LEU 398 N 2.80 1.96 -4.37 3.92 4.77 -0.84 -4.57 117.00 120.68 2bud n LEU 398 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.78 2bud n LEU 398 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2bud n LEU 398 CO 0.49 0.32 -0.18 -1.10 -1.33 0.00 0.00 177.39 175.59 2bud s GLN 399 N -1.97 1.70 -0.22 3.23 -1.52 -1.26 -4.87 119.66 114.74 2bud s GLN 399 Ca 0.00 -1.99 -0.27 0.00 -1.95 0.00 0.00 55.36 51.15 2bud s GLN 399 Cb 0.00 -0.17 0.11 0.00 -0.22 0.00 0.00 33.01 32.73 2bud s GLN 399 CO 0.00 -0.48 0.92 -1.54 -0.25 0.00 0.00 175.29 173.93 2bud s SER 400 N -3.43 -0.52 -0.16 5.90 1.04 -1.26 -0.31 113.70 114.97 2bud s SER 400 Ca 0.34 0.87 -0.11 0.00 0.48 0.00 0.00 55.95 57.52 2bud s SER 400 Cb 0.04 0.83 0.05 0.00 0.10 0.00 0.00 66.02 67.04 2bud s SER 400 CO 0.18 -0.27 0.40 0.00 0.98 0.00 0.00 173.24 174.53 2bud s ARG 401 N -0.21 0.42 -0.11 4.02 1.70 -0.53 -4.95 118.95 119.30 2bud s ARG 401 Ca -0.00 0.66 -0.02 0.00 -0.47 0.00 0.00 55.73 55.90 2bud s ARG 401 Cb -0.03 0.10 -0.02 0.00 -0.57 0.00 0.00 34.95 34.43 2bud s ARG 401 CO -0.01 -0.11 2.46 0.25 -1.08 0.00 0.00 175.30 176.82 2bud n THR 402 N 3.56 2.52 -1.94 4.99 -2.24 -1.26 -0.74 114.28 119.16 2bud n THR 402 Ca -0.18 -1.20 0.04 0.00 -2.27 0.00 0.00 64.05 60.44 2bud n THR 402 Cb 0.56 -1.59 -0.01 0.00 -2.10 0.00 0.00 70.33 67.19 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 1.45 0.00 -0.16 4.28 -1.04 -1.26 -0.29 114.28 117.25 2bud n THR 403 Ca 0.21 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.12 2bud n THR 403 Cb 0.62 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 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 0.79 -0.02 -2.82 5.08 -1.97 -3.18 114.58 112.46 2bud h GLU 404 Ca 0.01 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 2bud h GLU 404 Cb 0.30 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2bud h GLU 404 CO 0.00 0.81 -0.09 -0.97 -1.00 0.00 0.00 179.01 177.76 2bud h ASN 405 N 0.66 -0.28 -5.75 1.42 -1.24 -1.99 -3.47 115.58 104.93 2bud h ASN 405 Ca 0.14 0.05 -0.25 0.00 0.71 0.00 0.00 56.30 56.94 2bud h ASN 405 Cb 0.41 0.12 0.10 0.00 0.73 0.00 0.00 38.32 39.68 2bud h ASN 405 CO 0.01 -0.14 -0.67 0.00 -1.29 0.00 0.00 177.43 175.35 2bud n ALA 406 N -2.36 -2.54 -1.94 1.57 0.00 0.60 -4.90 120.51 110.95 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 0.15 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 15.82 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 -3.05 0.75 0.00 0.00 0.00 -1.26 -4.98 120.51 111.97 2bud n ALA 407 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2bud n ALA 407 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.66 0.00 0.00 -1.26 -5.08 120.51 113.50 2bud n ALA 408 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2bud n ALA 408 Cb 0.43 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 -0.66 0.00 0.00 -0.02 -1.26 -5.05 135.00 128.01 2bud n PRO 409 Ca 0.00 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2bud n PRO 409 Cb 0.00 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 2bud n PRO 409 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2bud n ASP 410 N -4.09 0.00 -3.80 2.55 5.68 -1.25 -4.11 116.55 111.54 2bud n ASP 410 Ca 0.11 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.26 2bud n ASP 410 Cb 0.52 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.36 2bud n ASP 410 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2bud s GLU 411 N -1.14 0.07 -0.20 0.11 2.02 0.08 -4.22 118.70 115.42 2bud s GLU 411 Ca 0.00 0.21 -0.04 0.00 0.02 0.00 0.00 54.97 55.16 2bud s GLU 411 Cb 0.00 -0.09 -0.02 0.00 0.10 0.00 0.00 34.13 34.12 2bud s GLU 411 CO 0.00 -0.09 -0.02 0.71 0.02 0.00 0.00 175.26 175.88 2bud s TYR 412 N 0.62 3.01 0.28 1.61 1.51 -0.66 -1.45 117.35 122.27 2bud s TYR 412 Ca -0.05 -0.55 -0.29 0.00 -1.01 0.00 0.00 57.07 55.17 2bud s TYR 412 Cb -0.07 -2.07 -0.10 0.00 -0.11 0.00 0.00 41.96 39.61 2bud s TYR 412 CO -0.03 -0.29 1.37 -0.47 -1.11 0.00 0.00 175.55 175.02 2bud s TYR 413 N 1.03 3.05 -0.01 2.71 5.04 0.58 -1.24 117.35 128.50 2bud s TYR 413 Ca 0.01 1.23 0.02 0.00 -2.44 0.00 0.00 57.07 55.89 2bud s TYR 413 Cb -0.14 -3.74 0.00 0.00 0.35 0.00 0.00 41.96 38.43 2bud s TYR 413 CO 0.01 -2.22 -0.05 0.54 -1.34 0.00 0.00 175.55 172.49 2bud s VAL 414 N -0.53 0.44 -0.28 3.14 0.11 -0.98 -1.98 120.40 120.32 2bud s VAL 414 Ca 0.54 -0.20 0.02 0.00 -2.93 0.00 0.00 61.98 59.41 2bud s VAL 414 Cb -0.40 -0.40 0.06 0.00 -1.53 0.00 0.00 36.38 34.11 2bud s VAL 414 CO 0.48 0.14 -0.06 -2.28 -3.33 0.00 0.00 175.10 170.05 2bud s HIS 415 N 0.12 3.32 0.08 1.54 2.46 0.28 -3.03 115.29 120.06 2bud s HIS 415 Ca -0.01 -2.28 -0.34 0.00 0.47 0.00 0.00 55.06 52.91 2bud s HIS 415 Cb -0.05 -2.10 -0.13 0.00 -0.13 0.00 0.00 32.58 30.17 2bud s HIS 415 CO -0.00 -0.87 1.71 0.66 -2.47 0.00 0.00 174.74 173.76 2bud n TYR 416 N 4.47 2.35 0.93 3.88 4.01 -1.26 -0.43 117.16 131.11 2bud n TYR 416 Ca -0.12 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2bud n TYR 416 Cb 0.42 -2.61 0.00 0.00 -0.31 0.00 0.00 39.34 36.84 2bud n TYR 416 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2bud n VAL 417 N 4.11 0.79 0.00 -0.72 0.31 -1.22 -4.23 118.33 117.37 2bud n VAL 417 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 2bud n VAL 417 Cb 0.30 -0.89 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 0.46 0.58 0.00 2.92 0.00 -1.26 -5.03 105.19 102.85 2bud n GLY 418 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.76 0.99 4.32 -1.26 -4.94 117.00 111.35 2bud n LEU 419 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.61 2bud n LEU 419 Cb 0.00 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 41.83 2bud n LEU 419 CO 0.00 -1.09 0.93 0.20 -1.22 0.00 0.00 177.39 176.21 2bud s ASN 420 N -1.91 5.51 0.07 -1.43 -0.87 -1.26 -4.94 114.94 110.11 2bud s ASN 420 Ca 0.00 2.60 -0.16 0.00 -1.57 0.00 0.00 52.86 53.73 2bud s ASN 420 Cb 0.00 -2.62 -0.16 0.00 -0.02 0.00 0.00 41.25 38.45 2bud s ASN 420 CO 0.00 -1.39 1.29 0.03 -2.57 0.00 0.00 177.10 174.45 2bud h ARG 421 N 1.57 0.65 0.00 -0.60 3.08 -1.94 -2.98 114.38 114.15 2bud h ARG 421 Ca -0.50 -0.49 -0.02 0.00 0.07 0.00 0.00 59.98 59.04 2bud h ARG 421 Cb 1.29 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 2bud h ARG 421 CO 0.58 1.11 -0.10 0.07 -1.07 0.00 0.00 179.97 180.56 2bud h ARG 422 N 0.31 0.00 -0.45 0.04 -0.00 -2.03 -1.84 114.38 110.41 2bud h ARG 422 Ca -0.03 0.00 0.05 0.00 -0.00 0.00 0.00 59.98 60.01 2bud h ARG 422 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.13 2bud h ARG 422 CO 0.12 0.10 0.30 1.25 -0.00 0.00 0.00 179.97 181.74 2bud h LEU 423 N 0.00 0.33 -9.45 0.08 5.85 -1.91 -3.43 115.31 106.78 2bud h LEU 423 Ca -0.00 -0.00 -0.62 0.00 0.84 0.00 0.00 57.88 58.10 2bud h LEU 423 Cb 0.29 -0.07 0.09 0.00 0.37 0.00 0.00 40.66 41.34 2bud h LEU 423 CO 0.01 0.22 0.28 0.47 -0.34 0.00 0.00 178.44 179.08 2bud n ASP 424 N -4.48 1.63 -3.74 1.25 8.00 -0.70 -4.95 116.55 113.56 2bud n ASP 424 Ca 0.06 1.16 0.04 0.00 0.71 0.00 0.00 54.79 56.76 2bud n ASP 424 Cb 0.24 -1.30 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 -0.83 -0.39 0.00 0.00 177.20 175.98 2bud s GLY 425 N -0.21 -0.37 0.22 0.44 0.00 -1.17 -5.04 107.32 101.20 2bud s GLY 425 Ca 0.65 0.60 -0.28 0.00 0.00 0.00 0.00 44.72 45.69 2bud s GLY 425 CO 0.56 2.90 0.88 -0.98 0.00 0.00 0.00 173.10 176.46 2bud s TRP 426 N -2.05 3.94 0.26 1.90 0.52 -1.26 -2.31 118.94 119.94 2bud s TRP 426 Ca 0.22 1.81 0.08 0.00 0.02 0.00 0.00 56.10 58.23 2bud s TRP 426 Cb 0.04 -2.90 -0.04 0.00 -1.15 0.00 0.00 33.47 29.43 2bud s TRP 426 CO -0.05 0.46 0.12 0.14 0.02 0.00 0.00 176.95 177.64 2bud s VAL 427 N -1.20 3.99 -0.51 4.03 -7.23 -0.37 -4.89 120.40 114.21 2bud s VAL 427 Ca 0.40 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 2bud s VAL 427 Cb -0.24 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.53 2bud s VAL 427 CO 0.29 -0.35 0.59 0.61 -0.31 0.00 0.00 175.10 175.93 2bud n GLY 428 N -1.07 1.38 4.75 2.32 0.00 -1.26 -1.65 105.19 109.66 2bud n GLY 428 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.35 0.00 0.15 1.61 3.00 -1.26 -4.53 116.66 115.98 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 0.30 -0.08 0.55 0.00 0.00 0.00 0.00 32.46 33.22 2bud n ARG 429 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 2bud n HIS 430 N 0.00 0.82 0.11 -0.14 1.44 -1.26 -2.32 115.22 113.87 2bud n HIS 430 Ca 0.00 0.37 -0.18 0.00 -2.01 0.00 0.00 57.72 55.90 2bud n HIS 430 Cb 0.00 -1.09 -0.13 0.00 0.12 0.00 0.00 29.99 28.89 2bud n HIS 430 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2bud h ARG 431 N 0.00 0.36 -6.05 -1.40 3.08 -1.84 -3.45 114.38 105.07 2bud h ARG 431 Ca 0.00 -0.58 -0.56 0.00 0.07 0.00 0.00 59.98 58.91 2bud h ARG 431 Cb 0.21 0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 2bud h ARG 431 CO 0.00 1.26 0.04 0.42 -1.07 0.00 0.00 179.97 180.62 2bud s ILE 432 N -2.74 4.97 -0.28 2.04 1.01 -0.98 -0.51 121.20 124.72 2bud s ILE 432 Ca -0.05 1.34 -0.24 0.00 0.00 0.00 0.00 60.65 61.69 2bud s ILE 432 Cb 0.07 -3.99 0.10 0.00 0.01 0.00 0.00 42.46 38.65 2bud s ILE 432 CO 0.90 0.33 0.87 -0.44 0.00 0.00 0.00 174.94 176.60 2bud s SER 433 N 0.32 -0.61 0.56 3.58 0.01 -0.66 -4.98 113.70 111.92 2bud s SER 433 Ca 0.34 1.17 0.33 0.00 1.31 0.00 0.00 55.95 59.10 2bud s SER 433 Cb -0.18 1.19 1.63 0.00 0.21 0.00 0.00 66.02 68.88 2bud s SER 433 CO 0.18 -0.20 2.11 -2.24 0.41 0.00 0.00 173.24 173.50 2bud h ASP 434 N 4.74 0.00 -3.30 2.44 3.04 -1.93 -2.82 116.42 118.58 2bud h ASP 434 Ca -0.29 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 39.25 2bud h ASP 434 CO 0.08 0.07 -0.66 0.20 -2.04 0.00 0.00 179.24 176.89 2bud s ASN 435 N -5.83 4.86 0.01 4.15 0.01 -1.26 -4.80 114.94 112.08 2bud s ASN 435 Ca -0.02 -0.11 -0.16 0.00 -0.71 0.00 0.00 52.86 51.86 2bud s ASN 435 Cb 0.12 -1.79 -0.35 0.00 0.41 0.00 0.00 41.25 39.65 2bud s ASN 435 CO 0.54 0.17 0.93 0.00 -1.51 0.00 0.00 177.10 177.24 2bud h ALA 436 N 6.66 -0.11 -0.96 0.60 0.00 -1.96 -3.29 119.26 120.20 2bud h ALA 436 Ca -0.32 -0.89 0.17 0.00 0.00 0.00 0.00 54.91 53.87 2bud h ALA 436 Cb 1.19 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 19.09 2bud h ALA 436 CO 0.63 0.71 0.56 -0.44 0.00 0.00 0.00 179.25 180.71 2bud h ASP 437 N 0.09 0.72 -0.57 0.00 3.32 -1.98 0.26 116.42 118.26 2bud h ASP 437 Ca -0.26 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 2bud h ASP 437 Cb 2.11 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 41.60 2bud h ASP 437 CO 0.25 0.28 0.15 0.44 -1.72 0.00 0.00 179.24 178.64 2bud h ASP 438 N 0.74 0.89 0.00 6.45 5.19 -2.01 -3.33 116.42 124.36 2bud h ASP 438 Ca 0.54 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 2bud h ASP 438 Cb 0.79 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.06 2bud h ASP 438 CO -0.37 0.86 0.00 0.18 -3.12 0.00 0.00 179.24 176.80 2bud n LEU 439 N -4.26 0.04 0.00 1.55 4.77 0.85 -5.02 117.00 114.95 2bud n LEU 439 Ca 0.04 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2bud n LEU 439 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2bud n LEU 439 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2bud n GLY 440 N -0.24 -0.03 1.68 -0.72 0.00 -0.87 -5.08 105.19 99.93 2bud n GLY 440 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.86 1.44 -0.02 0.00 -1.22 -4.51 105.19 99.02 2bud n GLY 441 Ca 0.00 0.48 0.02 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.30 -2.48 -1.39 -0.61 -0.00 -1.26 -4.09 119.36 107.23 2bud n ILE 442 Ca 0.00 1.30 -0.55 0.00 -0.00 0.00 0.00 62.75 63.50 2bud n ILE 442 Cb 0.00 -2.14 -0.09 0.00 -0.00 0.00 0.00 39.64 37.41 2bud n ILE 442 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 2bud n THR 443 N -2.74 0.12 -1.91 1.39 -1.04 -1.26 -3.93 114.28 104.91 2bud n THR 443 Ca -0.01 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2bud n THR 443 Cb 0.47 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 2bud n THR 443 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2bud n VAL 444 N 6.79-11.95 -2.35 12.58 0.31 -1.26 -4.92 118.33 117.52 2bud n VAL 444 Ca 0.46 2.90 -0.40 0.00 -0.01 0.00 0.00 64.34 67.28 2bud n VAL 444 Cb 0.12 -5.20 -0.04 0.00 -0.91 0.00 0.00 33.84 27.81 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 -0.46 4.50 0.00 7.52 1.43 -1.25 -5.05 118.68 125.38 2bud s LEU 445 Ca 0.00 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 2bud s LEU 445 Cb 0.00 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2bud s LEU 445 CO 0.00 -0.29 0.00 -2.65 0.23 0.00 0.00 176.35 173.64 2bud n PRO 446 N 1.16 2.36 -2.85 1.29 -0.02 -1.26 -5.05 135.00 130.62 2bud n PRO 446 Ca -0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.38 2bud n PRO 446 Cb 0.44 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.92 2bud n PRO 446 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bud n ALA 447 N -3.00 -0.94 -1.81 3.55 0.00 -1.26 -5.14 120.51 111.91 2bud n ALA 447 Ca 0.00 -1.54 -0.42 0.00 0.00 0.00 0.00 53.44 51.49 2bud n ALA 447 Cb 0.00 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 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 0.58 4.17 0.35 0.00 0.04 -1.26 -4.96 135.00 133.92 2bud s PRO 448 Ca 0.31 2.49 -0.28 0.00 0.04 0.00 0.00 61.00 63.56 2bud s PRO 448 Cb 0.10 -3.07 -0.11 0.00 0.04 0.00 0.00 34.50 31.46 2bud s PRO 448 CO -0.14 -0.61 1.41 -2.14 0.04 0.00 0.00 177.00 175.57 2bud s PRO 449 N 0.13 4.22 0.11 0.56 0.02 -1.26 -4.94 135.00 133.84 2bud s PRO 449 Ca 0.66 2.42 -0.31 0.00 0.02 0.00 0.00 61.00 63.78 2bud s PRO 449 Cb -0.46 -3.02 -0.09 0.00 0.02 0.00 0.00 34.50 30.95 2bud s PRO 449 CO 0.41 -0.39 1.58 -0.51 -0.33 0.00 0.00 177.00 177.76 2bud s LEU 450 N -1.89 4.37 0.24 -5.54 1.02 -1.26 -4.56 118.68 111.06 2bud s LEU 450 Ca 0.51 2.51 0.00 0.00 0.02 0.00 0.00 54.13 57.17 2bud s LEU 450 Cb -0.44 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.20 2bud s LEU 450 CO 0.58 -0.83 0.00 0.00 0.02 0.00 0.00 176.35 176.12 2bud n ALA 451 N 4.72 -2.06 -2.65 4.21 0.00 -1.26 -4.82 120.51 118.66 2bud n ALA 451 Ca 0.14 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.63 2bud n ALA 451 Cb 0.40 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.98 4.42 -1.34 0.00 0.04 -1.26 -3.86 135.00 132.01 2bud s PRO 452 Ca 0.00 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 2bud s PRO 452 Cb 0.00 -3.53 -0.00 0.00 0.04 0.00 0.00 34.50 31.01 2bud s PRO 452 CO 0.00 -0.31 0.55 -3.47 0.04 0.00 0.00 177.00 173.81 2bud n ASP 453 N 4.92 -1.14 0.00 6.66 -0.08 -1.26 -5.25 116.55 120.40 2bud n ASP 453 Ca 0.09 -0.95 0.00 0.00 -1.51 0.00 0.00 54.79 52.42 2bud n ASP 453 Cb 0.48 -3.42 0.00 0.00 2.34 0.00 0.00 41.12 40.53 2bud n ASP 453 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32