#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 0.00 -4.77 1.61 7.64 -1.26 -5.13 113.62 111.71 2bud n SER 364 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 2bud n SER 364 Cb 0.00 0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 63.41 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 -1.55 2.72 0.10 1.43 -3.43 -1.26 -4.93 115.29 108.38 2bud s HIS 365 Ca 0.00 1.21 -0.31 0.00 -0.80 0.00 0.00 55.06 55.16 2bud s HIS 365 Cb 0.00 -3.93 -0.08 0.00 -1.43 0.00 0.00 32.58 27.14 2bud s HIS 365 CO 0.00 -2.72 1.49 -1.64 -2.00 0.00 0.00 174.74 169.87 2bud s MET 366 N -1.90 4.26 0.26 -0.38 1.00 -1.26 -4.96 119.30 116.32 2bud s MET 366 Ca 0.52 2.18 -0.30 0.00 0.00 0.00 0.00 55.69 58.10 2bud s MET 366 Cb -0.45 -3.36 -0.10 0.00 0.00 0.00 0.00 34.83 30.93 2bud s MET 366 CO 0.59 -0.57 1.39 -0.51 0.00 0.00 0.00 175.02 175.93 2bud s ASP 367 N 1.53 6.70 0.00 3.03 1.01 -1.26 -4.87 116.67 122.81 2bud s ASP 367 Ca 0.68 2.65 0.00 0.00 0.71 0.00 0.00 52.55 56.58 2bud s ASP 367 Cb -0.38 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 40.92 2bud s ASP 367 CO 0.30 -0.64 1.23 -0.81 0.21 0.00 0.00 175.17 175.46 2bud n PRO 368 N 1.97 0.72 0.00 8.23 -0.04 -1.26 -2.18 135.00 142.43 2bud n PRO 368 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2bud n PRO 368 Cb 0.41 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 1.37 0.00 -2.68 1.53 -0.00 -1.26 -5.02 117.00 110.94 2bud n LEU 369 Ca 0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 56.01 55.93 2bud n LEU 369 Cb 0.36 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.86 2bud n LEU 369 CO 0.00 0.23 0.59 0.80 -0.00 0.00 0.00 177.39 179.00 2bud n MET 370 N 0.00 0.24 -0.25 1.47 0.00 -0.93 -5.01 117.12 112.64 2bud n MET 370 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 57.70 56.84 2bud n MET 370 Cb 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 33.22 33.08 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 1.19 0.89 0.00 2.12 6.02 -1.18 -4.29 117.38 122.13 2bud n GLN 371 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2bud n GLN 371 Cb 0.71 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.92 2bud n GLN 371 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2bud n LYS 372 N 1.12 0.00 -1.80 -1.09 -0.00 -1.26 -4.98 118.16 110.15 2bud n LYS 372 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 2bud n LYS 372 Cb 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.45 2bud n LYS 372 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2bud s ILE 373 N -1.16 2.22 -1.31 0.58 1.01 -1.26 -4.89 121.20 116.39 2bud s ILE 373 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.71 2bud s ILE 373 Cb 0.00 -3.10 0.15 0.00 0.01 0.00 0.00 42.46 39.52 2bud s ILE 373 CO 0.00 0.01 1.93 0.47 0.00 0.00 0.00 174.94 177.36 2bud n ASP 374 N 3.92 4.97 -0.30 3.58 9.92 -1.26 -4.80 116.55 132.59 2bud n ASP 374 Ca 0.15 -3.08 0.13 0.00 -0.53 0.00 0.00 54.79 51.46 2bud n ASP 374 Cb 0.36 -1.50 0.29 0.00 -0.64 0.00 0.00 41.12 39.63 2bud n ASP 374 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2bud h ILE 375 N 3.75 0.34 -0.08 0.53 2.04 -1.95 -3.28 117.51 118.85 2bud h ILE 375 Ca 0.42 -0.08 -0.42 0.00 1.00 0.00 0.00 64.86 65.78 2bud h ILE 375 Cb 0.62 0.09 0.07 0.00 -0.74 0.00 0.00 36.82 36.86 2bud h ILE 375 CO 1.66 0.04 1.16 -1.20 0.00 0.00 0.00 178.15 179.81 2bud n SER 376 N -5.21 1.61 0.00 1.72 7.64 -1.26 -2.18 113.62 115.94 2bud n SER 376 Ca 0.21 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.54 2bud n SER 376 Cb 0.67 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 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 7.88 0.00 -2.85 1.43 0.28 -1.24 -5.02 120.64 121.12 2bud n GLU 377 Ca 0.46 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.34 2bud n GLU 377 Cb 0.44 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.36 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 -0.27 -1.14 -0.29 -1.84 2.04 -0.93 -4.98 115.26 107.85 2bud n ASN 378 Ca 0.00 -3.30 0.13 0.00 -0.44 0.00 0.00 54.58 50.98 2bud n ASN 378 Cb 0.00 0.94 0.38 0.00 -2.53 0.00 0.00 39.78 38.57 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 2.88 0.66 -0.37 -0.53 0.11 -1.91 0.14 132.00 132.99 2bud h PRO 379 Ca -0.06 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 2bud h PRO 379 Cb 1.09 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 2bud h PRO 379 CO 0.24 0.44 0.12 -0.44 -0.21 0.00 0.00 178.00 178.15 2bud h ASP 380 N 0.68 0.47 -1.97 -2.05 5.19 -1.93 -3.43 116.42 113.37 2bud h ASP 380 Ca 0.49 -0.05 -0.63 0.00 -0.62 0.00 0.00 57.03 56.21 2bud h ASP 380 Cb 0.84 -0.12 0.03 0.00 0.18 0.00 0.00 39.33 40.26 2bud h ASP 380 CO -0.24 0.45 0.94 1.17 -3.12 0.00 0.00 179.24 178.44 2bud n LYS 381 N -4.37 1.91 -2.95 3.56 4.81 0.50 -4.93 118.16 116.70 2bud n LYS 381 Ca 0.02 0.70 -0.40 0.00 -0.87 0.00 0.00 58.31 57.76 2bud n LYS 381 Cb 0.16 -2.48 -0.04 0.00 0.02 0.00 0.00 35.03 32.68 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 2.96 4.98 -0.03 3.15 -1.09 -1.26 -4.71 121.20 125.21 2bud s ILE 382 Ca 0.90 1.60 0.00 0.00 -2.23 0.00 0.00 60.65 60.92 2bud s ILE 382 Cb -0.77 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 35.96 2bud s ILE 382 CO 0.50 0.20 0.02 -0.31 -1.23 0.00 0.00 174.94 174.12 2bud s TYR 383 N 1.07 3.14 0.05 3.97 1.51 -0.91 -4.91 117.35 121.27 2bud s TYR 383 Ca 0.41 0.14 -0.19 0.00 -1.01 0.00 0.00 57.07 56.42 2bud s TYR 383 Cb -0.18 -1.72 -0.06 0.00 -0.11 0.00 0.00 41.96 39.89 2bud s TYR 383 CO 0.19 0.48 0.55 -0.06 -1.11 0.00 0.00 175.55 175.60 2bud s PHE 384 N -1.04 3.78 -0.13 2.71 0.40 -1.23 0.79 117.98 123.27 2bud s PHE 384 Ca 0.18 1.23 0.01 0.00 -0.60 0.00 0.00 56.93 57.74 2bud s PHE 384 Cb -0.12 -2.48 -0.01 0.00 0.51 0.00 0.00 43.02 40.92 2bud s PHE 384 CO 0.08 0.57 -0.15 0.42 0.70 0.00 0.00 175.22 176.84 2bud s ILE 385 N -0.99 2.85 -0.94 0.64 1.09 0.15 -2.55 121.20 121.46 2bud s ILE 385 Ca 0.28 -0.73 -0.19 0.00 -1.10 0.00 0.00 60.65 58.91 2bud s ILE 385 Cb -0.19 -2.18 0.12 0.00 -1.06 0.00 0.00 42.46 39.15 2bud s ILE 385 CO 0.18 0.53 1.17 -0.60 -0.10 0.00 0.00 174.94 176.11 2bud s ARG 386 N 0.40 3.59 0.73 2.79 6.06 -0.40 -0.94 118.95 131.18 2bud s ARG 386 Ca -0.12 -1.67 -0.16 0.00 -2.50 0.00 0.00 55.73 51.29 2bud s ARG 386 Cb -0.16 -4.97 0.01 0.00 0.06 0.00 0.00 34.95 29.89 2bud s ARG 386 CO 0.06 -1.83 0.91 0.54 -2.50 0.00 0.00 175.30 172.48 2bud n ARG 387 N 6.87 0.43 -0.21 5.12 1.74 -0.96 -4.78 116.66 124.87 2bud n ARG 387 Ca 0.25 0.20 -0.01 0.00 -0.77 0.00 0.00 57.85 57.52 2bud n ARG 387 Cb 0.49 -2.18 0.10 0.00 -1.02 0.00 0.00 32.46 29.85 2bud n ARG 387 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2bud h GLU 388 N -0.35 0.55 0.00 5.56 5.08 -1.95 0.33 114.58 123.80 2bud h GLU 388 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2bud h GLU 388 Cb 1.33 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2bud h GLU 388 CO 0.46 0.36 0.06 -0.40 -1.00 0.00 0.00 179.01 178.50 2bud n ASP 389 N -4.87 0.52 -0.20 1.42 5.68 -1.26 -4.78 116.55 113.05 2bud n ASP 389 Ca 0.08 0.72 0.00 0.00 -0.50 0.00 0.00 54.79 55.09 2bud n ASP 389 Cb 0.21 -0.77 0.00 0.00 -1.14 0.00 0.00 41.12 39.42 2bud n ASP 389 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bud n GLY 390 N -1.29 0.99 3.03 6.12 0.00 0.12 -5.09 105.19 109.07 2bud n GLY 390 Ca -0.01 -0.29 -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 -2.41 1.95 0.15 2.61 -4.23 -1.21 -4.86 115.64 107.64 2bud s THR 391 Ca 0.00 -1.49 -0.30 0.00 -1.18 0.00 0.00 61.69 58.72 2bud s THR 391 Cb 0.00 -2.11 -0.08 0.00 1.34 0.00 0.00 72.50 71.65 2bud s THR 391 CO 0.00 -0.04 1.28 -0.69 -0.54 0.00 0.00 174.62 174.63 2bud s VAL 392 N 1.20 3.46 -0.16 2.29 1.01 -1.25 -2.27 120.40 124.68 2bud s VAL 392 Ca -0.08 1.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.92 2bud s VAL 392 Cb -0.19 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.51 2bud s VAL 392 CO -0.06 0.14 0.41 -1.00 0.00 0.00 0.00 175.10 174.59 2bud s HIS 393 N 0.48 -0.51 0.66 5.22 3.76 -0.12 -4.34 115.29 120.44 2bud s HIS 393 Ca 0.58 1.17 -0.17 0.00 -0.15 0.00 0.00 55.06 56.49 2bud s HIS 393 Cb -0.34 0.20 -0.04 0.00 1.11 0.00 0.00 32.58 33.51 2bud s HIS 393 CO 0.34 -0.27 0.73 0.54 -0.85 0.00 0.00 174.74 175.23 2bud n ARG 394 N 3.51 0.54 -3.64 1.40 1.74 -1.26 -0.68 116.66 118.27 2bud n ARG 394 Ca -0.18 0.22 -0.03 0.00 -0.77 0.00 0.00 57.85 57.10 2bud n ARG 394 Cb 0.56 -1.97 -0.07 0.00 -1.02 0.00 0.00 32.46 29.97 2bud n ARG 394 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2bud s GLY 395 N -1.39 0.04 -0.09 -0.13 0.00 0.24 -2.76 107.32 103.23 2bud s GLY 395 Ca 0.71 3.15 -0.23 0.00 0.00 0.00 0.00 44.72 48.35 2bud s GLY 395 CO 0.52 2.49 0.68 1.20 0.00 0.00 0.00 173.10 178.00 2bud s GLN 396 N 1.14 4.40 -0.05 2.90 -0.21 -0.54 -2.14 119.66 125.16 2bud s GLN 396 Ca -0.07 0.83 -0.20 0.00 0.02 0.00 0.00 55.36 55.94 2bud s GLN 396 Cb -0.04 -3.47 -0.05 0.00 1.00 0.00 0.00 33.01 30.46 2bud s GLN 396 CO -0.13 0.02 0.56 0.08 -2.12 0.00 0.00 175.29 173.70 2bud s VAL 397 N 0.97 5.02 0.00 1.09 1.01 -1.26 -0.52 120.40 126.72 2bud s VAL 397 Ca 0.36 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.50 2bud s VAL 397 Cb -0.17 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2bud s VAL 397 CO 0.16 0.37 0.00 0.18 0.00 0.00 0.00 175.10 175.82 2bud n LEU 398 N 3.13 2.16 -4.27 3.92 4.77 -1.19 -4.89 117.00 120.63 2bud n LEU 398 Ca -0.06 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.74 2bud n LEU 398 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2bud n LEU 398 CO 0.44 0.36 -0.16 -1.10 -1.33 0.00 0.00 177.39 175.60 2bud s GLN 399 N -1.98 1.57 -0.11 3.23 -0.21 -1.26 -4.97 119.66 115.93 2bud s GLN 399 Ca 0.00 -1.89 -0.30 0.00 0.02 0.00 0.00 55.36 53.19 2bud s GLN 399 Cb 0.00 0.26 0.09 0.00 1.00 0.00 0.00 33.01 34.36 2bud s GLN 399 CO 0.00 -0.55 0.82 -1.54 -2.12 0.00 0.00 175.29 171.90 2bud s SER 400 N -3.31 -0.54 -0.25 5.90 1.04 -1.26 -0.50 113.70 114.79 2bud s SER 400 Ca 0.39 0.61 -0.20 0.00 0.48 0.00 0.00 55.95 57.24 2bud s SER 400 Cb 0.04 0.48 0.07 0.00 0.10 0.00 0.00 66.02 66.71 2bud s SER 400 CO 0.22 -0.48 0.64 0.00 0.98 0.00 0.00 173.24 174.60 2bud s ARG 401 N -1.07 0.72 0.00 4.02 1.70 0.17 -4.94 118.95 119.55 2bud s ARG 401 Ca -0.06 0.97 0.00 0.00 -0.47 0.00 0.00 55.73 56.17 2bud s ARG 401 Cb -0.00 0.29 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 2bud s ARG 401 CO 0.06 -0.11 0.00 0.25 -1.08 0.00 0.00 175.30 174.42 2bud n THR 402 N 3.23 0.00 -3.45 4.99 -2.24 -1.26 -0.20 114.28 115.35 2bud n THR 402 Ca -0.16 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 2bud n THR 402 Cb 0.56 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.00 0.00 -0.30 4.28 -1.04 -1.26 -4.49 114.28 111.47 2bud n THR 403 Ca 0.00 -0.26 0.12 0.00 -2.04 0.00 0.00 64.05 61.87 2bud n THR 403 Cb 0.00 0.30 0.27 0.00 -1.82 0.00 0.00 70.33 69.08 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 0.16 0.10 -2.82 5.08 -2.00 -0.77 114.58 114.33 2bud h GLU 404 Ca -0.10 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2bud h GLU 404 Cb 0.42 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2bud h GLU 404 CO 0.14 0.10 -0.05 -0.97 -1.00 0.00 0.00 179.01 177.23 2bud h ASN 405 N 0.16 -0.11 -6.11 1.42 -1.24 -1.97 -3.47 115.58 104.26 2bud h ASN 405 Ca 0.54 -0.28 -0.42 0.00 0.71 0.00 0.00 56.30 56.85 2bud h ASN 405 Cb 1.08 0.03 0.06 0.00 0.73 0.00 0.00 38.32 40.22 2bud h ASN 405 CO -0.69 0.23 -0.86 0.00 -1.29 0.00 0.00 177.43 174.82 2bud n ALA 406 N -2.33 -2.17 -1.57 1.57 0.00 -0.30 -4.85 120.51 110.87 2bud n ALA 406 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2bud n ALA 406 Cb 0.21 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 16.98 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 -4.18 1.07 0.00 0.00 0.00 -1.26 -4.96 120.51 111.19 2bud n ALA 407 Ca -0.24 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2bud n ALA 407 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.74 0.00 0.00 -1.26 -5.15 120.51 112.37 2bud n ALA 408 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2bud n ALA 408 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.69 2.01 -3.65 0.00 -0.02 -1.26 -5.01 135.00 125.38 2bud n PRO 409 Ca 0.00 0.72 -0.02 0.00 -2.02 0.00 0.00 63.50 62.18 2bud n PRO 409 Cb 0.00 -2.54 -0.07 0.00 -0.02 0.00 0.00 33.50 30.87 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 -0.60 -0.15 -0.04 2.55 -4.77 -1.26 -4.14 116.67 108.26 2bud s ASP 410 Ca 0.64 0.28 0.03 0.00 -3.30 0.00 0.00 52.55 50.19 2bud s ASP 410 Cb -0.46 0.59 0.01 0.00 -1.09 0.00 0.00 42.92 41.97 2bud s ASP 410 CO 0.56 -0.05 -0.10 -1.61 0.70 0.00 0.00 175.17 174.67 2bud s GLU 411 N 0.48 1.19 -0.16 2.11 2.02 0.73 -3.92 118.70 121.15 2bud s GLU 411 Ca 0.01 -0.35 -0.02 0.00 0.02 0.00 0.00 54.97 54.63 2bud s GLU 411 Cb -0.04 -1.07 -0.02 0.00 0.10 0.00 0.00 34.13 33.10 2bud s GLU 411 CO -0.13 0.10 -0.09 0.71 0.02 0.00 0.00 175.26 175.88 2bud s TYR 412 N 0.32 2.90 0.47 1.61 1.51 0.03 -0.65 117.35 123.53 2bud s TYR 412 Ca -0.06 -0.63 -0.24 0.00 -1.01 0.00 0.00 57.07 55.13 2bud s TYR 412 Cb -0.11 -1.94 -0.07 0.00 -0.11 0.00 0.00 41.96 39.73 2bud s TYR 412 CO 0.01 -0.25 1.29 -0.47 -1.11 0.00 0.00 175.55 175.03 2bud s TYR 413 N 0.63 2.64 -0.07 2.71 5.04 0.35 -2.01 117.35 126.63 2bud s TYR 413 Ca -0.05 1.42 -0.03 0.00 -2.44 0.00 0.00 57.07 55.97 2bud s TYR 413 Cb -0.15 -3.66 0.04 0.00 0.35 0.00 0.00 41.96 38.54 2bud s TYR 413 CO 0.03 -2.26 0.16 0.54 -1.34 0.00 0.00 175.55 172.68 2bud s VAL 414 N -1.34 -0.05 -0.66 3.14 0.11 -1.00 -3.14 120.40 117.46 2bud s VAL 414 Ca 0.63 0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 59.83 2bud s VAL 414 Cb -0.37 -0.26 0.17 0.00 -1.53 0.00 0.00 36.38 34.39 2bud s VAL 414 CO 0.45 0.07 0.49 -2.28 -3.33 0.00 0.00 175.10 170.51 2bud s HIS 415 N 1.21 3.46 -0.23 1.54 2.46 0.33 -3.38 115.29 120.67 2bud s HIS 415 Ca -0.09 -2.73 -0.35 0.00 0.47 0.00 0.00 55.06 52.36 2bud s HIS 415 Cb -0.11 -3.22 -0.12 0.00 -0.13 0.00 0.00 32.58 28.99 2bud s HIS 415 CO -0.06 -0.83 2.00 0.66 -2.47 0.00 0.00 174.74 174.03 2bud n TYR 416 N 3.36 1.98 -1.84 3.88 4.02 -1.26 -1.47 117.16 125.83 2bud n TYR 416 Ca 0.10 0.20 -0.42 0.00 -0.01 0.00 0.00 57.90 57.76 2bud n TYR 416 Cb 0.38 -2.58 -0.03 0.00 -0.02 0.00 0.00 39.34 37.09 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 5.49 2.35 0.00 -0.72 1.01 -1.11 -2.67 120.40 124.75 2bud s VAL 417 Ca 1.01 0.25 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2bud s VAL 417 Cb -0.80 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2bud s VAL 417 CO 0.52 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2bud n GLY 418 N 3.81 1.12 3.66 4.51 0.00 -1.26 -4.83 105.19 112.20 2bud n GLY 418 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 3.31 -4.64 0.99 7.99 -1.09 -4.91 117.00 118.65 2bud n LEU 419 Ca 0.00 0.44 -0.42 0.00 -0.01 0.00 0.00 56.01 56.02 2bud n LEU 419 Cb 0.00 -1.47 0.01 0.00 -0.11 0.00 0.00 43.42 41.85 2bud n LEU 419 CO 0.00 -2.17 0.69 0.59 -1.51 0.00 0.00 177.39 174.99 2bud n ASN 420 N -3.98 1.72 -0.15 -1.43 3.02 -1.26 -4.86 115.26 108.31 2bud n ASN 420 Ca 0.12 1.08 0.01 0.00 -0.03 0.00 0.00 54.58 55.75 2bud n ASN 420 Cb 0.52 -1.40 0.27 0.00 -0.61 0.00 0.00 39.78 38.56 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 1.79 0.87 -0.50 3.52 3.08 -1.91 -1.95 114.38 119.28 2bud h ARG 421 Ca -0.45 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 59.63 2bud h ARG 421 Cb 1.32 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 2bud h ARG 421 CO 0.58 0.61 0.34 0.07 -1.07 0.00 0.00 179.97 180.51 2bud h ARG 422 N 0.88 0.23 -0.35 0.04 0.11 -2.01 -0.43 114.38 112.86 2bud h ARG 422 Ca 0.23 -0.01 0.10 0.00 0.10 0.00 0.00 59.98 60.40 2bud h ARG 422 Cb -0.03 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 30.99 2bud h ARG 422 CO -0.04 0.15 0.26 1.25 0.10 0.00 0.00 179.97 181.69 2bud h LEU 423 N 0.24 0.00 -9.46 0.08 5.85 -1.71 -3.43 115.31 106.89 2bud h LEU 423 Ca 0.23 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.35 2bud h LEU 423 Cb 0.60 0.00 0.11 0.00 0.37 0.00 0.00 40.66 41.74 2bud h LEU 423 CO -0.05 0.00 0.09 0.47 -0.34 0.00 0.00 178.44 178.62 2bud n ASP 424 N -4.40 1.15 0.00 1.25 9.92 -0.17 -4.91 116.55 119.38 2bud n ASP 424 Ca 0.05 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.48 2bud n ASP 424 Cb 0.44 -1.27 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 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 1.26 1.59 3.08 0.44 0.00 -1.22 -5.03 105.19 105.31 2bud n GLY 425 Ca 0.10 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.97 1.57 0.15 1.61 0.52 -1.26 -2.37 118.94 118.18 2bud s TRP 426 Ca 0.00 -0.51 0.06 0.00 0.02 0.00 0.00 56.10 55.67 2bud s TRP 426 Cb 0.00 -1.09 -0.04 0.00 -1.15 0.00 0.00 33.47 31.19 2bud s TRP 426 CO 0.00 -0.21 0.02 0.14 0.02 0.00 0.00 176.95 176.92 2bud s VAL 427 N 0.31 3.92 -0.00 4.03 -7.23 -0.85 -4.89 120.40 115.69 2bud s VAL 427 Ca -0.09 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2bud s VAL 427 Cb -0.13 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.86 2bud s VAL 427 CO 0.03 -0.04 0.85 0.61 -0.31 0.00 0.00 175.10 176.24 2bud n GLY 428 N 0.07 1.70 4.41 2.32 0.00 -1.26 -0.79 105.19 111.63 2bud n GLY 428 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.57 0.00 0.24 1.61 3.00 -1.25 -4.64 116.66 116.19 2bud n ARG 429 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.99 2bud n ARG 429 Cb 0.42 -0.36 0.78 0.00 0.00 0.00 0.00 32.46 33.31 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 0.14 -0.14 2.07 -1.91 -2.31 115.15 113.00 2bud h HIS 430 Ca 0.00 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.22 2bud h HIS 430 Cb 0.00 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.00 2bud h HIS 430 CO 0.00 0.00 -1.27 0.00 -3.07 0.00 0.00 177.93 173.59 2bud h ARG 431 N 0.00 0.51 -5.98 5.12 3.08 -1.86 -3.45 114.38 111.80 2bud h ARG 431 Ca 0.04 -0.74 -0.57 0.00 0.07 0.00 0.00 59.98 58.79 2bud h ARG 431 Cb 0.19 0.25 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 2bud h ARG 431 CO -0.00 1.33 0.01 0.42 -1.07 0.00 0.00 179.97 180.66 2bud s ILE 432 N -2.86 5.04 -0.20 2.04 1.01 -0.87 -1.27 121.20 124.09 2bud s ILE 432 Ca -0.08 1.27 -0.18 0.00 0.00 0.00 0.00 60.65 61.66 2bud s ILE 432 Cb 0.06 -3.96 0.05 0.00 0.01 0.00 0.00 42.46 38.62 2bud s ILE 432 CO 0.92 0.32 0.53 -0.44 0.00 0.00 0.00 174.94 176.27 2bud s SER 433 N 0.47 -0.56 0.50 3.58 0.01 -1.06 -4.89 113.70 111.75 2bud s SER 433 Ca 0.33 1.08 0.25 0.00 1.31 0.00 0.00 55.95 58.92 2bud s SER 433 Cb -0.17 1.09 1.33 0.00 0.21 0.00 0.00 66.02 68.48 2bud s SER 433 CO 0.16 -0.19 2.03 -2.24 0.41 0.00 0.00 173.24 173.42 2bud h ASP 434 N 5.37 0.00 -3.38 2.44 3.04 -1.96 -3.26 116.42 118.68 2bud h ASP 434 Ca -0.28 0.00 -0.65 0.00 -3.24 0.00 0.00 57.03 52.86 2bud h ASP 434 Cb 1.17 0.00 -0.19 0.00 -1.04 0.00 0.00 39.33 39.27 2bud h ASP 434 CO 0.17 0.15 -0.66 0.21 -2.04 0.00 0.00 179.24 177.07 2bud s ASN 435 N -6.27 4.91 0.10 4.15 2.47 -1.26 -4.90 114.94 114.15 2bud s ASN 435 Ca -0.03 -0.04 -0.15 0.00 0.42 0.00 0.00 52.86 53.07 2bud s ASN 435 Cb 0.13 -1.60 -0.08 0.00 -1.45 0.00 0.00 41.25 38.25 2bud s ASN 435 CO 0.60 0.25 1.44 0.00 -3.72 0.00 0.00 177.10 175.68 2bud h ALA 436 N 6.07 0.43 -0.96 1.71 0.00 -1.96 -3.21 119.26 121.35 2bud h ALA 436 Ca -0.39 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.20 2bud h ALA 436 Cb 1.19 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2bud h ALA 436 CO 0.59 0.40 0.62 -0.44 0.00 0.00 0.00 179.25 180.43 2bud h ASP 437 N 0.44 1.00 -0.69 0.00 3.32 -1.95 -1.19 116.42 117.34 2bud h ASP 437 Ca 0.06 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.21 2bud h ASP 437 Cb 0.79 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 2bud h ASP 437 CO 0.06 0.65 0.46 0.44 -1.72 0.00 0.00 179.24 179.13 2bud h ASP 438 N 1.14 0.51 0.00 6.45 3.32 -1.97 -3.25 116.42 122.62 2bud h ASP 438 Ca 0.41 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2bud h ASP 438 Cb 0.12 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2bud h ASP 438 CO -0.16 0.31 0.00 0.18 -1.72 0.00 0.00 179.24 177.85 2bud n LEU 439 N -4.49 0.00 0.00 1.55 4.77 -0.45 -4.96 117.00 113.43 2bud n LEU 439 Ca 0.11 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2bud n LEU 439 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2bud n LEU 439 CO 0.33 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2bud n GLY 440 N -0.40 0.00 0.00 -0.72 0.00 -1.22 -4.99 105.19 97.85 2bud n GLY 440 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.23 4.14 3.54 -0.02 0.00 -1.26 -5.02 105.19 106.34 2bud n GLY 441 Ca 0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.28 0.49 -2.07 -0.61 2.08 -1.26 -4.47 119.36 112.25 2bud n ILE 442 Ca 0.00 -0.50 -0.38 0.00 0.56 0.00 0.00 62.75 62.44 2bud n ILE 442 Cb 0.00 -2.05 0.00 0.00 -0.75 0.00 0.00 39.64 36.84 2bud n ILE 442 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2bud n THR 443 N 8.38 4.69 -3.10 1.39 -1.04 -1.26 -4.96 114.28 118.38 2bud n THR 443 Ca 0.43 -4.55 -0.41 0.00 -2.04 0.00 0.00 64.05 57.48 2bud n THR 443 Cb 0.46 -1.60 -0.06 0.00 -1.82 0.00 0.00 70.33 67.31 2bud n THR 443 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2bud s VAL 444 N -3.37 4.96 -0.41 12.58 1.01 -1.26 -3.74 120.40 130.17 2bud s VAL 444 Ca 0.50 1.05 0.09 0.00 0.00 0.00 0.00 61.98 63.62 2bud s VAL 444 Cb 0.29 -3.96 0.35 0.00 0.00 0.00 0.00 36.38 33.06 2bud s VAL 444 CO -0.22 -0.04 1.00 0.00 0.00 0.00 0.00 175.10 175.84 2bud n LEU 445 N 5.79 -0.86 -4.76 3.92 -0.00 -1.26 -5.13 117.00 114.68 2bud n LEU 445 Ca -0.01 -4.13 -0.35 0.00 -0.00 0.00 0.00 56.01 51.53 2bud n LEU 445 Cb 0.49 0.71 0.03 0.00 -0.00 0.00 0.00 43.42 44.65 2bud n LEU 445 CO 0.44 2.08 0.79 -2.84 -0.00 0.00 0.00 177.39 177.86 2bud s PRO 446 N -0.97 3.04 0.26 1.47 0.02 -1.26 -4.94 135.00 132.62 2bud s PRO 446 Ca 0.29 1.61 -0.29 0.00 0.02 0.00 0.00 61.00 62.63 2bud s PRO 446 Cb 0.34 -1.96 -0.14 0.00 0.02 0.00 0.00 34.50 32.75 2bud s PRO 446 CO -0.06 -1.10 1.05 0.00 -0.33 0.00 0.00 177.00 176.57 2bud n ALA 447 N -1.74 -0.36 -1.63 -1.55 0.00 -1.26 -4.81 120.51 109.16 2bud n ALA 447 Ca 0.12 0.41 -0.45 0.00 0.00 0.00 0.00 53.44 53.51 2bud n ALA 447 Cb 0.51 -2.02 -0.04 0.00 0.00 0.00 0.00 19.45 17.90 2bud n ALA 447 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2bud n PRO 448 N 1.02 2.24 0.00 0.00 -0.02 -1.26 -4.98 135.00 132.00 2bud n PRO 448 Ca 0.11 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2bud n PRO 448 Cb 0.30 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 30.90 2bud n PRO 448 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2bud n PRO 449 N 7.60 1.69 -1.19 0.52 -0.05 -1.26 -4.92 135.00 137.39 2bud n PRO 449 Ca 0.25 0.00 -0.18 0.00 -0.05 0.00 0.00 63.50 63.52 2bud n PRO 449 Cb 0.36 0.00 -0.10 0.00 -0.05 0.00 0.00 33.50 33.71 2bud n PRO 449 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 2bud n LEU 450 N 0.00 5.85 -1.26 1.53 4.77 -1.26 -4.89 117.00 121.74 2bud n LEU 450 Ca 0.00 -3.54 0.00 0.00 -0.03 0.00 0.00 56.01 52.44 2bud n LEU 450 Cb 0.00 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 39.79 2bud n LEU 450 CO 0.00 1.65 -0.32 0.00 -1.33 0.00 0.00 177.39 177.39 2bud n ALA 451 N 1.62 -2.36 -1.84 -1.18 0.00 -1.26 -4.91 120.51 110.57 2bud n ALA 451 Ca 0.43 0.32 -0.41 0.00 0.00 0.00 0.00 53.44 53.78 2bud n ALA 451 Cb 0.72 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 2bud n ALA 451 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bud s PRO 452 N -2.70 4.44 0.41 0.00 0.04 -1.26 -4.76 135.00 131.17 2bud s PRO 452 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2bud s PRO 452 Cb 0.00 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2bud s PRO 452 CO 0.00 -0.10 0.00 -0.25 0.04 0.00 0.00 177.00 176.69 2bud n ASP 453 N 1.49 -7.83 0.00 6.66 8.00 -1.26 -5.23 116.55 118.38 2bud n ASP 453 Ca 0.02 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.61 2bud n ASP 453 Cb 0.43 -4.04 0.00 0.00 -0.02 0.00 0.00 41.12 37.49 2bud n ASP 453 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81