#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bud s SER 364 N 0.00 -0.82 0.22 1.61 0.01 -1.26 -5.14 113.70 108.31 2bud s SER 364 Ca 0.00 1.39 -0.30 0.00 1.31 0.00 0.00 55.95 58.34 2bud s SER 364 Cb 0.00 1.36 -0.10 0.00 0.21 0.00 0.00 66.02 67.49 2bud s SER 364 CO 0.00 -0.22 1.45 -2.28 0.41 0.00 0.00 173.24 172.59 2bud s HIS 365 N 1.22 3.06 0.10 2.43 5.65 -1.26 -4.94 115.29 121.56 2bud s HIS 365 Ca -0.07 0.97 -0.31 0.00 0.25 0.00 0.00 55.06 55.90 2bud s HIS 365 Cb -0.05 -3.81 -0.09 0.00 -1.18 0.00 0.00 32.58 27.46 2bud s HIS 365 CO -0.14 -2.71 1.57 -1.64 -0.65 0.00 0.00 174.74 171.18 2bud s MET 366 N 0.02 4.23 0.19 2.88 1.00 -1.26 -4.95 119.30 121.41 2bud s MET 366 Ca 0.61 2.27 -0.31 0.00 0.00 0.00 0.00 55.69 58.26 2bud s MET 366 Cb -0.41 -3.41 -0.11 0.00 0.00 0.00 0.00 34.83 30.90 2bud s MET 366 CO 0.40 -0.64 1.59 0.34 0.00 0.00 0.00 175.02 176.71 2bud s ASP 367 N 1.80 6.54 0.07 3.03 -1.08 -1.26 -4.92 116.67 120.84 2bud s ASP 367 Ca 0.71 2.69 -0.18 0.00 -0.52 0.00 0.00 52.55 55.25 2bud s ASP 367 Cb -0.40 -2.60 -0.11 0.00 -1.46 0.00 0.00 42.92 38.35 2bud s ASP 367 CO 0.31 -0.85 1.38 -0.65 0.52 0.00 0.00 175.17 175.88 2bud h PRO 368 N 6.55 0.53 -0.43 4.34 0.11 -2.02 -3.15 132.00 137.93 2bud h PRO 368 Ca -0.43 -0.28 0.08 0.00 0.11 0.00 0.00 66.00 65.48 2bud h PRO 368 Cb 1.21 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 2bud h PRO 368 CO 0.91 0.86 0.02 1.25 -0.21 0.00 0.00 178.00 180.82 2bud h LEU 369 N 0.22 -0.14 -6.92 2.35 6.46 -2.04 -3.42 115.31 111.82 2bud h LEU 369 Ca 0.04 0.09 0.09 0.00 -0.12 0.00 0.00 57.88 57.98 2bud h LEU 369 Cb 0.76 0.16 -0.20 0.00 -0.73 0.00 0.00 40.66 40.65 2bud h LEU 369 CO 0.05 -0.03 -0.09 -0.04 -0.62 0.00 0.00 178.44 177.71 2bud s MET 370 N -6.17 0.55 -0.77 1.25 -1.94 -1.22 -5.10 119.30 105.89 2bud s MET 370 Ca -0.13 1.37 -0.25 0.00 -1.71 0.00 0.00 55.69 54.96 2bud s MET 370 Cb 0.14 0.82 -0.02 0.00 2.01 0.00 0.00 34.83 37.79 2bud s MET 370 CO 0.71 -0.20 1.80 -0.65 -0.01 0.00 0.00 175.02 176.67 2bud s GLN 371 N 2.85 2.74 0.41 2.03 1.11 -1.19 -4.48 119.66 123.13 2bud s GLN 371 Ca -0.05 0.03 0.00 0.00 0.01 0.00 0.00 55.36 55.35 2bud s GLN 371 Cb -0.11 -4.71 0.00 0.00 -1.01 0.00 0.00 33.01 27.18 2bud s GLN 371 CO -0.19 -2.87 0.00 1.63 0.01 0.00 0.00 175.29 173.87 2bud n LYS 372 N 9.06 -4.07 -2.12 2.91 5.02 -1.26 -5.00 118.16 122.70 2bud n LYS 372 Ca 0.27 3.00 0.00 0.00 -2.02 0.00 0.00 58.31 59.56 2bud n LYS 372 Cb 0.50 -3.35 0.00 0.00 -0.02 0.00 0.00 35.03 32.16 2bud n LYS 372 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2bud n ILE 373 N -0.48-13.32 -2.78 -0.18 5.41 -1.26 -4.81 119.36 101.94 2bud n ILE 373 Ca 0.00 3.28 -0.44 0.00 1.00 0.00 0.00 62.75 66.60 2bud n ILE 373 Cb 0.00 -5.66 0.00 0.00 -0.71 0.00 0.00 39.64 33.27 2bud n ILE 373 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2bud n ASP 374 N 1.84 5.20 -0.42 4.38 8.00 -1.26 -4.84 116.55 129.45 2bud n ASP 374 Ca 0.00 -3.02 0.35 0.00 0.71 0.00 0.00 54.79 52.83 2bud n ASP 374 Cb 0.00 -1.54 0.62 0.00 -0.02 0.00 0.00 41.12 40.18 2bud n ASP 374 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2bud h ILE 375 N 4.38 0.15 0.00 0.53 2.04 -1.96 -3.17 117.51 119.48 2bud h ILE 375 Ca 0.34 -0.04 -0.61 0.00 1.00 0.00 0.00 64.86 65.55 2bud h ILE 375 Cb 0.80 0.02 0.06 0.00 -0.74 0.00 0.00 36.82 36.96 2bud h ILE 375 CO 1.35 0.02 2.20 -0.24 0.00 0.00 0.00 178.15 181.48 2bud n SER 376 N -4.77 2.51 0.00 1.72 2.88 -1.26 -2.07 113.62 112.63 2bud n SER 376 Ca 0.36 -2.61 0.00 0.00 -1.33 0.00 0.00 58.87 55.29 2bud n SER 376 Cb 1.35 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 6.81 0.00 -2.71 -1.46 0.28 -1.20 -5.02 120.64 117.34 2bud n GLU 377 Ca 0.48 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.40 2bud n GLU 377 Cb 0.37 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.34 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 -0.11 -2.08 -0.21 -1.84 2.04 -0.88 -4.99 115.26 107.18 2bud n ASN 378 Ca 0.00 -3.18 0.14 0.00 -0.44 0.00 0.00 54.58 51.10 2bud n ASN 378 Cb 0.00 1.64 0.45 0.00 -2.53 0.00 0.00 39.78 39.34 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 2.65 0.53 -0.21 -0.53 0.11 -1.90 0.12 132.00 132.76 2bud h PRO 379 Ca -0.18 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.83 2bud h PRO 379 Cb 1.16 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2bud h PRO 379 CO 0.06 0.35 -0.19 -0.44 -0.21 0.00 0.00 178.00 177.57 2bud h ASP 380 N 0.54 0.36 -1.63 -2.05 3.32 -1.92 -3.44 116.42 111.60 2bud h ASP 380 Ca 0.41 -0.10 -0.69 0.00 0.02 0.00 0.00 57.03 56.67 2bud h ASP 380 Cb 0.79 -0.10 0.06 0.00 0.22 0.00 0.00 39.33 40.30 2bud h ASP 380 CO -0.16 0.57 0.31 1.17 -1.72 0.00 0.00 179.24 179.42 2bud n LYS 381 N -4.18 0.94 -2.98 3.56 4.81 0.41 -4.91 118.16 115.81 2bud n LYS 381 Ca -0.00 0.34 -0.41 0.00 -0.87 0.00 0.00 58.31 57.37 2bud n LYS 381 Cb 0.34 -1.90 -0.05 0.00 0.02 0.00 0.00 35.03 33.45 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 0.17 4.97 -0.03 3.15 -1.09 -1.26 -4.64 121.20 122.47 2bud s ILE 382 Ca 0.82 1.50 -0.02 0.00 -2.23 0.00 0.00 60.65 60.72 2bud s ILE 382 Cb -0.97 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 35.80 2bud s ILE 382 CO 0.50 0.13 0.09 -0.31 -1.23 0.00 0.00 174.94 174.12 2bud s TYR 383 N 1.57 3.34 -0.01 3.97 1.51 -0.84 -4.90 117.35 121.99 2bud s TYR 383 Ca 0.37 0.26 -0.24 0.00 -1.01 0.00 0.00 57.07 56.44 2bud s TYR 383 Cb -0.17 -1.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 2bud s TYR 383 CO 0.15 0.57 0.74 -0.06 -1.11 0.00 0.00 175.55 175.84 2bud s PHE 384 N -1.15 3.66 -0.22 2.71 0.40 -1.21 0.00 117.98 122.17 2bud s PHE 384 Ca 0.21 1.37 -0.03 0.00 -0.60 0.00 0.00 56.93 57.89 2bud s PHE 384 Cb -0.12 -2.81 0.01 0.00 0.51 0.00 0.00 43.02 40.60 2bud s PHE 384 CO 0.12 0.19 -0.07 0.42 0.70 0.00 0.00 175.22 176.58 2bud s ILE 385 N 0.34 3.04 -0.36 0.64 1.09 0.37 -2.01 121.20 124.30 2bud s ILE 385 Ca 0.38 -0.72 -0.24 0.00 -1.10 0.00 0.00 60.65 58.97 2bud s ILE 385 Cb -0.19 -2.42 0.01 0.00 -1.06 0.00 0.00 42.46 38.80 2bud s ILE 385 CO 0.21 0.37 0.85 -0.60 -0.10 0.00 0.00 174.94 175.66 2bud s ARG 386 N 1.41 3.82 0.66 2.79 3.00 0.49 -0.53 118.95 130.58 2bud s ARG 386 Ca 0.04 0.47 -0.16 0.00 -1.00 0.00 0.00 55.73 55.08 2bud s ARG 386 Cb -0.15 -3.79 0.00 0.00 0.00 0.00 0.00 34.95 31.01 2bud s ARG 386 CO -0.05 -0.87 1.15 1.03 0.00 0.00 0.00 175.30 176.56 2bud s ARG 387 N 3.24 2.68 0.31 5.12 1.81 -1.04 -4.76 118.95 126.31 2bud s ARG 387 Ca 0.34 1.58 0.05 0.00 -1.72 0.00 0.00 55.73 55.98 2bud s ARG 387 Cb -0.13 -1.92 0.70 0.00 -0.45 0.00 0.00 34.95 33.16 2bud s ARG 387 CO 0.17 -1.38 1.82 1.05 -0.68 0.00 0.00 175.30 176.29 2bud h GLU 388 N 0.17 0.80 -0.39 3.54 4.11 -1.96 0.13 114.58 120.97 2bud h GLU 388 Ca -0.48 -0.05 -0.06 0.00 0.07 0.00 0.00 59.36 58.84 2bud h GLU 388 Cb 1.27 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2bud h GLU 388 CO 0.53 0.53 -0.01 0.38 0.07 0.00 0.00 179.01 180.51 2bud h ASP 389 N 0.82 0.60 0.00 3.06 3.04 -2.03 -3.47 116.42 118.44 2bud h ASP 389 Ca 0.52 -0.13 0.00 0.00 -3.24 0.00 0.00 57.03 54.17 2bud h ASP 389 Cb 0.72 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.85 2bud h ASP 389 CO -0.29 0.68 0.00 0.61 -2.04 0.00 0.00 179.24 178.20 2bud n GLY 390 N -0.75 2.99 3.60 7.15 0.00 0.45 -4.92 105.19 113.72 2bud n GLY 390 Ca 0.02 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 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 0.43 -2.50 2.61 -2.24 -1.26 -4.31 114.28 107.00 2bud n THR 391 Ca 0.00 -0.36 -0.38 0.00 -2.27 0.00 0.00 64.05 61.03 2bud n THR 391 Cb 0.00 -2.40 -0.04 0.00 -2.10 0.00 0.00 70.33 65.79 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 7.27 3.58 -0.11 2.28 1.01 -1.26 -2.51 120.40 130.65 2bud s VAL 392 Ca 0.99 1.38 -0.07 0.00 0.00 0.00 0.00 61.98 64.28 2bud s VAL 392 Cb -0.42 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.20 2bud s VAL 392 CO 0.39 0.18 0.28 -1.00 0.00 0.00 0.00 175.10 174.94 2bud s HIS 393 N -1.41 -0.35 0.80 5.22 3.76 0.31 -4.03 115.29 119.57 2bud s HIS 393 Ca 0.52 0.83 -0.14 0.00 -0.15 0.00 0.00 55.06 56.11 2bud s HIS 393 Cb -0.27 0.09 0.04 0.00 1.11 0.00 0.00 32.58 33.55 2bud s HIS 393 CO 0.34 -0.22 0.89 0.54 -0.85 0.00 0.00 174.74 175.45 2bud n ARG 394 N 3.79 0.19 -3.65 1.40 1.74 -1.26 -0.48 116.66 118.40 2bud n ARG 394 Ca -0.21 0.13 -0.01 0.00 -0.77 0.00 0.00 57.85 56.98 2bud n ARG 394 Cb 0.55 -2.18 -0.06 0.00 -1.02 0.00 0.00 32.46 29.75 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 -1.88 0.18 -0.46 -0.13 0.00 0.10 -4.05 107.32 101.08 2bud s GLY 395 Ca 0.69 3.32 -0.28 0.00 0.00 0.00 0.00 44.72 48.45 2bud s GLY 395 CO 0.55 2.59 1.06 1.20 0.00 0.00 0.00 173.10 178.50 2bud s GLN 396 N 1.18 3.69 0.03 2.90 -0.21 -0.19 -1.98 119.66 125.09 2bud s GLN 396 Ca -0.08 0.47 -0.28 0.00 0.02 0.00 0.00 55.36 55.49 2bud s GLN 396 Cb -0.03 -3.90 -0.04 0.00 1.00 0.00 0.00 33.01 30.03 2bud s GLN 396 CO -0.13 -1.29 0.89 0.08 -2.12 0.00 0.00 175.29 172.72 2bud s VAL 397 N 4.16 4.76 0.00 1.09 1.01 -1.25 -1.47 120.40 128.70 2bud s VAL 397 Ca 0.44 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.30 2bud s VAL 397 Cb -0.08 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2bud s VAL 397 CO 0.29 0.26 0.00 0.18 0.00 0.00 0.00 175.10 175.83 2bud n LEU 398 N 3.33 0.72 -4.25 3.92 4.77 -1.14 -4.94 117.00 119.41 2bud n LEU 398 Ca 0.02 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.83 2bud n LEU 398 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 2bud n LEU 398 CO 0.50 0.12 -0.14 -1.10 -1.33 0.00 0.00 177.39 175.44 2bud s GLN 399 N -1.95 1.59 -0.11 3.23 -0.21 -1.26 -4.97 119.66 115.97 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 0.31 0.10 0.00 1.00 0.00 0.00 33.01 34.43 2bud s GLN 399 CO 0.00 -0.57 0.86 -1.54 -2.12 0.00 0.00 175.29 171.92 2bud s SER 400 N -3.30 -0.49 -0.20 5.90 1.04 -1.26 -0.15 113.70 115.24 2bud s SER 400 Ca 0.40 0.54 -0.17 0.00 0.48 0.00 0.00 55.95 57.20 2bud s SER 400 Cb 0.04 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.62 2bud s SER 400 CO 0.23 -0.45 0.52 0.00 0.98 0.00 0.00 173.24 174.51 2bud s ARG 401 N -1.13 0.59 0.00 4.02 1.70 -0.13 -4.93 118.95 119.07 2bud s ARG 401 Ca -0.06 0.76 0.00 0.00 -0.47 0.00 0.00 55.73 55.97 2bud s ARG 401 Cb -0.00 0.26 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 2bud s ARG 401 CO 0.05 -0.09 0.00 0.25 -1.08 0.00 0.00 175.30 174.44 2bud n THR 402 N 3.03 0.00 -3.32 4.99 -2.24 -1.25 -0.36 114.28 115.13 2bud n THR 402 Ca -0.15 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.61 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 -0.33 4.28 -1.04 -1.26 -4.45 114.28 111.49 2bud n THR 403 Ca 0.00 -0.24 0.15 0.00 -2.04 0.00 0.00 64.05 61.92 2bud n THR 403 Cb 0.00 0.26 0.30 0.00 -1.82 0.00 0.00 70.33 69.07 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 0.05 0.04 -2.82 5.08 -1.99 0.14 114.58 115.07 2bud h GLU 404 Ca -0.09 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2bud h GLU 404 Cb 0.34 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2bud h GLU 404 CO 0.11 0.03 -0.02 -0.97 -1.00 0.00 0.00 179.01 177.17 2bud h ASN 405 N 0.05 -0.04 -5.96 1.42 -1.24 -1.97 -3.48 115.58 104.35 2bud h ASN 405 Ca 0.60 -0.34 -0.38 0.00 0.71 0.00 0.00 56.30 56.89 2bud h ASN 405 Cb 1.25 0.01 0.11 0.00 0.73 0.00 0.00 38.32 40.42 2bud h ASN 405 CO -0.85 0.32 -0.88 0.00 -1.29 0.00 0.00 177.43 174.74 2bud n ALA 406 N -2.31 -2.34 -1.60 1.57 0.00 0.49 -4.88 120.51 111.45 2bud n ALA 406 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2bud n ALA 406 Cb 0.20 -3.79 0.00 0.00 0.00 0.00 0.00 19.45 15.86 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 -3.96 0.94 0.00 0.00 0.00 -1.26 -4.98 120.51 111.25 2bud n ALA 407 Ca -0.16 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2bud n ALA 407 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2bud n ALA 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bud n ALA 408 N 0.00 0.00 -1.71 0.00 0.00 -1.26 -4.83 120.51 112.72 2bud n ALA 408 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2bud n ALA 408 Cb 0.48 0.00 0.05 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 0.00 1.42 -3.65 0.00 -0.02 -1.26 -5.02 135.00 126.47 2bud n PRO 409 Ca 0.00 0.53 0.01 0.00 -2.02 0.00 0.00 63.50 62.02 2bud n PRO 409 Cb 0.00 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 30.97 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 -1.03 -0.09 -0.07 2.55 1.47 -1.26 -3.94 116.67 114.29 2bud s ASP 410 Ca 0.73 0.15 0.03 0.00 1.18 0.00 0.00 52.55 54.65 2bud s ASP 410 Cb -0.42 0.90 -0.02 0.00 -0.34 0.00 0.00 42.92 43.03 2bud s ASP 410 CO 0.48 -0.02 -0.16 -1.61 0.68 0.00 0.00 175.17 174.53 2bud s GLU 411 N 0.90 2.71 -0.15 2.11 2.02 0.51 -3.37 118.70 123.43 2bud s GLU 411 Ca -0.06 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.17 2bud s GLU 411 Cb -0.03 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.78 2bud s GLU 411 CO -0.11 0.48 -0.05 0.71 0.02 0.00 0.00 175.26 176.31 2bud s TYR 412 N -0.38 3.00 0.55 1.61 1.51 -0.32 -0.96 117.35 122.37 2bud s TYR 412 Ca 0.04 -0.34 -0.21 0.00 -1.01 0.00 0.00 57.07 55.54 2bud s TYR 412 Cb -0.12 -1.94 -0.05 0.00 -0.11 0.00 0.00 41.96 39.74 2bud s TYR 412 CO 0.02 -0.05 1.36 -0.47 -1.11 0.00 0.00 175.55 175.29 2bud s TYR 413 N 0.34 2.26 -0.16 2.71 5.04 0.79 -2.32 117.35 126.00 2bud s TYR 413 Ca -0.05 1.38 -0.11 0.00 -2.44 0.00 0.00 57.07 55.85 2bud s TYR 413 Cb -0.14 -3.80 0.05 0.00 0.35 0.00 0.00 41.96 38.42 2bud s TYR 413 CO 0.03 -2.92 0.40 0.54 -1.34 0.00 0.00 175.55 172.26 2bud s VAL 414 N -1.31 -0.02 -0.31 3.14 0.11 -0.85 -2.86 120.40 118.30 2bud s VAL 414 Ca 0.72 0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 59.83 2bud s VAL 414 Cb -0.40 -0.58 0.06 0.00 -1.53 0.00 0.00 36.38 33.93 2bud s VAL 414 CO 0.47 0.03 0.01 -2.28 -3.33 0.00 0.00 175.10 169.99 2bud s HIS 415 N 0.96 3.36 0.11 1.54 2.46 -0.54 -3.36 115.29 119.82 2bud s HIS 415 Ca -0.06 -2.15 -0.31 0.00 0.47 0.00 0.00 55.06 53.01 2bud s HIS 415 Cb -0.06 -2.29 -0.10 0.00 -0.13 0.00 0.00 32.58 30.00 2bud s HIS 415 CO -0.08 -0.86 1.79 0.71 -2.47 0.00 0.00 174.74 173.83 2bud s TYR 416 N 1.17 2.23 -0.04 3.88 1.51 -1.26 -1.02 117.35 123.83 2bud s TYR 416 Ca -0.03 0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.10 2bud s TYR 416 Cb -0.20 -4.13 0.05 0.00 -0.11 0.00 0.00 41.96 37.57 2bud s TYR 416 CO -0.03 -4.62 1.29 0.28 -1.11 0.00 0.00 175.55 171.36 2bud n VAL 417 N 4.71 1.40 0.00 0.71 0.31 -1.26 -4.11 118.33 120.09 2bud n VAL 417 Ca 0.17 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2bud n VAL 417 Cb 0.39 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 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 0.58 -0.03 0.00 2.92 0.00 -1.26 -5.09 105.19 102.32 2bud n GLY 418 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.30 0.00 -4.78 0.99 4.32 -1.26 -4.97 117.00 110.00 2bud n LEU 419 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.62 2bud n LEU 419 Cb 0.00 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 2bud n LEU 419 CO 0.00 -0.91 0.76 0.20 -1.22 0.00 0.00 177.39 176.22 2bud s ASN 420 N -1.76 6.74 0.22 -1.43 -0.87 -1.26 -4.92 114.94 111.67 2bud s ASN 420 Ca 0.00 2.12 -0.06 0.00 -1.57 0.00 0.00 52.86 53.36 2bud s ASN 420 Cb 0.00 -2.60 0.21 0.00 -0.02 0.00 0.00 41.25 38.84 2bud s ASN 420 CO 0.00 -0.51 1.72 0.03 -2.57 0.00 0.00 177.10 175.77 2bud h ARG 421 N 2.63 0.96 -0.80 -0.60 3.08 -1.93 -2.68 114.38 115.05 2bud h ARG 421 Ca -0.48 -0.27 0.12 0.00 0.07 0.00 0.00 59.98 59.42 2bud h ARG 421 Cb 1.22 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.10 2bud h ARG 421 CO 0.63 0.92 0.52 0.07 -1.07 0.00 0.00 179.97 181.04 2bud h ARG 422 N 0.90 0.63 -0.43 0.04 0.11 -2.01 -0.47 114.38 113.15 2bud h ARG 422 Ca 0.17 -0.04 0.12 0.00 0.10 0.00 0.00 59.98 60.34 2bud h ARG 422 Cb 0.46 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.39 2bud h ARG 422 CO 0.02 0.42 0.46 -0.07 0.10 0.00 0.00 179.97 180.89 2bud h LEU 423 N 0.65 0.00 -9.42 0.08 4.07 -1.87 -3.42 115.31 105.40 2bud h LEU 423 Ca 0.38 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.71 2bud h LEU 423 Cb 0.58 0.00 0.08 0.00 1.08 0.00 0.00 40.66 42.41 2bud h LEU 423 CO -0.15 0.00 0.33 0.47 -1.08 0.00 0.00 178.44 178.01 2bud n ASP 424 N -3.72 1.66 0.00 -0.43 9.92 -0.19 -4.84 116.55 118.96 2bud n ASP 424 Ca 0.08 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.48 2bud n ASP 424 Cb 0.64 -1.28 0.00 0.00 -0.64 0.00 0.00 41.12 39.84 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 1.91 -1.00 3.24 0.44 0.00 -1.21 -5.01 105.19 103.57 2bud n GLY 425 Ca 0.13 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.00 2.10 0.01 1.61 0.52 -1.26 -2.01 118.94 115.91 2bud s TRP 426 Ca 0.00 -0.49 0.03 0.00 0.02 0.00 0.00 56.10 55.66 2bud s TRP 426 Cb 0.00 -1.37 -0.01 0.00 -1.15 0.00 0.00 33.47 30.94 2bud s TRP 426 CO 0.00 -0.10 -0.08 0.14 0.02 0.00 0.00 176.95 176.93 2bud s VAL 427 N -0.37 0.65 0.48 4.03 -7.23 -0.98 -4.88 120.40 112.10 2bud s VAL 427 Ca 0.04 -0.55 -0.24 0.00 -1.81 0.00 0.00 61.98 59.42 2bud s VAL 427 Cb -0.10 -0.58 -0.07 0.00 0.56 0.00 0.00 36.38 36.19 2bud s VAL 427 CO 0.01 0.04 1.32 -0.83 -0.31 0.00 0.00 175.10 175.33 2bud s GLY 428 N -0.57 2.88 0.55 2.32 0.00 -1.26 -1.17 107.32 110.07 2bud s GLY 428 Ca 0.00 1.26 0.26 0.00 0.00 0.00 0.00 44.72 46.24 2bud s GLY 428 CO 0.00 1.80 2.03 -0.09 0.00 0.00 0.00 173.10 176.84 2bud h ARG 429 N 1.99 0.00 -0.43 2.90 9.65 -1.88 0.61 114.38 127.23 2bud h ARG 429 Ca -0.50 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.47 2bud h ARG 429 Cb 1.27 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.83 2bud h ARG 429 CO 0.60 0.00 0.30 0.45 2.80 0.00 0.00 179.97 184.11 2bud h HIS 430 N 0.00 0.15 0.14 2.20 3.86 -1.90 -1.01 115.15 118.59 2bud h HIS 430 Ca 0.18 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.09 2bud h HIS 430 Cb 0.78 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.20 2bud h HIS 430 CO 0.00 0.07 -1.48 0.00 0.86 0.00 0.00 177.93 177.38 2bud h ARG 431 N 0.14 0.29 -6.09 2.45 3.08 -1.17 -3.46 114.38 109.62 2bud h ARG 431 Ca 0.20 -0.49 -0.57 0.00 0.07 0.00 0.00 59.98 59.19 2bud h ARG 431 Cb 0.60 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.78 2bud h ARG 431 CO -0.03 1.18 -0.01 0.42 -1.07 0.00 0.00 179.97 180.46 2bud s ILE 432 N -2.62 4.89 -0.27 2.04 1.01 -0.38 -0.38 121.20 125.49 2bud s ILE 432 Ca -0.08 1.25 -0.25 0.00 0.00 0.00 0.00 60.65 61.56 2bud s ILE 432 Cb 0.07 -3.93 0.08 0.00 0.01 0.00 0.00 42.46 38.69 2bud s ILE 432 CO 0.87 0.43 0.79 -0.44 0.00 0.00 0.00 174.94 176.58 2bud s SER 433 N -0.25 -0.68 0.00 3.58 0.01 -0.85 -4.84 113.70 110.66 2bud s SER 433 Ca 0.31 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.88 2bud s SER 433 Cb -0.18 1.33 0.00 0.00 0.21 0.00 0.00 66.02 67.38 2bud s SER 433 CO 0.17 -0.23 0.44 -0.90 0.41 0.00 0.00 173.24 173.13 2bud n ASP 434 N 2.57 0.39 -3.74 2.44 5.75 -1.26 -3.32 116.55 119.38 2bud n ASP 434 Ca -0.14 -1.27 -0.12 0.00 -0.01 0.00 0.00 54.79 53.25 2bud n ASP 434 Cb 0.55 -0.20 -0.13 0.00 -1.03 0.00 0.00 41.12 40.32 2bud n ASP 434 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2bud s ASN 435 N -0.75 -0.26 0.12 -1.12 0.01 -1.26 -4.99 114.94 106.69 2bud s ASN 435 Ca 0.00 0.51 -0.14 0.00 -0.71 0.00 0.00 52.86 52.53 2bud s ASN 435 Cb 0.00 0.42 -0.04 0.00 0.41 0.00 0.00 41.25 42.04 2bud s ASN 435 CO 0.00 -0.15 1.50 0.00 -1.51 0.00 0.00 177.10 176.94 2bud h ALA 436 N 6.93 0.53 -0.95 0.60 0.00 -1.90 -3.11 119.26 121.36 2bud h ALA 436 Ca -0.38 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.30 2bud h ALA 436 Cb 1.16 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 2bud h ALA 436 CO 0.37 0.45 0.58 -0.44 0.00 0.00 0.00 179.25 180.22 2bud h ASP 437 N 0.57 0.85 -0.17 0.00 3.32 -1.97 -1.58 116.42 117.44 2bud h ASP 437 Ca 0.09 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.05 2bud h ASP 437 Cb 0.71 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.08 2bud h ASP 437 CO 0.05 0.45 0.02 0.47 -1.72 0.00 0.00 179.24 178.52 2bud n ASP 438 N -4.66 5.62 0.00 6.45 9.92 -1.17 -4.35 116.55 128.36 2bud n ASP 438 Ca 0.17 -2.61 0.00 0.00 -0.53 0.00 0.00 54.79 51.83 2bud n ASP 438 Cb 0.34 -1.19 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 2bud n ASP 438 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2bud n LEU 439 N 1.45 0.00 -2.46 0.64 4.77 -0.61 -4.87 117.00 115.93 2bud n LEU 439 Ca 0.19 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.13 2bud n LEU 439 Cb 0.61 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.78 2bud n LEU 439 CO 0.12 0.00 0.53 0.61 -1.33 0.00 0.00 177.39 177.33 2bud n GLY 440 N -0.11 0.85 7.00 -0.72 0.00 -1.13 -5.05 105.19 106.02 2bud n GLY 440 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.85 2.94 2.89 -0.02 0.00 -1.20 -4.07 105.19 104.89 2bud n GLY 441 Ca -0.12 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 2bud n GLY 441 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bud s ILE 442 N 0.00 1.46 -1.04 -0.61 -1.09 -1.26 -4.56 121.20 114.09 2bud s ILE 442 Ca 0.00 -1.45 -0.13 0.00 -2.23 0.00 0.00 60.65 56.84 2bud s ILE 442 Cb 0.00 -1.90 0.13 0.00 -1.58 0.00 0.00 42.46 39.11 2bud s ILE 442 CO 0.00 -0.35 0.33 1.07 -1.23 0.00 0.00 174.94 174.76 2bud n THR 443 N 4.65 0.00 -3.68 2.92 5.66 -1.26 -4.86 114.28 117.72 2bud n THR 443 Ca -0.06 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.85 2bud n THR 443 Cb 0.43 -0.27 -0.10 0.00 -1.55 0.00 0.00 70.33 68.84 2bud n THR 443 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2bud s VAL 444 N -2.62 -0.19 -0.24 1.08 1.01 -1.26 -4.85 120.40 113.33 2bud s VAL 444 Ca 0.46 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 2bud s VAL 444 Cb -0.27 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2bud s VAL 444 CO 0.57 0.04 0.27 -0.22 0.00 0.00 0.00 175.10 175.76 2bud s LEU 445 N 1.74 4.10 -1.31 3.92 2.96 -1.26 -4.34 118.68 124.50 2bud s LEU 445 Ca -0.08 0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.99 2bud s LEU 445 Cb -0.09 -2.29 -0.08 0.00 0.50 0.00 0.00 46.19 44.24 2bud s LEU 445 CO -0.14 -0.04 2.66 -2.65 -1.32 0.00 0.00 176.35 174.86 2bud n PRO 446 N 4.64 3.04 -2.71 0.98 -0.02 -1.26 -4.25 135.00 135.42 2bud n PRO 446 Ca -0.12 -1.88 -0.07 0.00 -2.02 0.00 0.00 63.50 59.41 2bud n PRO 446 Cb 0.51 -2.64 0.09 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.78 -1.03 -1.78 3.55 0.00 -1.26 -5.14 120.51 118.62 2bud n ALA 447 Ca 0.65 -1.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 2bud n ALA 447 Cb 0.21 -1.52 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 2bud n ALA 447 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2bud s PRO 448 N 0.20 4.15 0.00 0.00 0.02 -1.26 -4.87 135.00 133.24 2bud s PRO 448 Ca 0.21 2.53 -0.02 0.00 0.02 0.00 0.00 61.00 63.74 2bud s PRO 448 Cb 0.30 -3.05 -0.09 0.00 0.02 0.00 0.00 34.50 31.68 2bud s PRO 448 CO -0.08 -0.61 2.43 -0.35 -0.33 0.00 0.00 177.00 178.05 2bud n PRO 449 N 2.49 1.27 -4.20 5.54 -0.04 -1.26 -4.71 135.00 134.09 2bud n PRO 449 Ca 0.09 -0.35 -0.36 0.00 -0.04 0.00 0.00 63.50 62.84 2bud n PRO 449 Cb 0.38 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 2bud n PRO 449 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2bud n LEU 450 N 1.91 -1.61 -3.65 1.53 4.32 -1.26 -4.90 117.00 113.34 2bud n LEU 450 Ca 0.15 -0.98 -0.02 0.00 -0.02 0.00 0.00 56.01 55.14 2bud n LEU 450 Cb 0.61 -2.04 -0.07 0.00 -1.62 0.00 0.00 43.42 40.30 2bud n LEU 450 CO 0.05 0.27 0.92 0.00 -1.22 0.00 0.00 177.39 177.40 2bud s ALA 451 N -3.24 -2.37 0.26 -1.18 0.00 -1.26 -5.16 121.76 108.81 2bud s ALA 451 Ca 0.74 1.96 -0.29 0.00 0.00 0.00 0.00 51.96 54.36 2bud s ALA 451 Cb -0.40 -1.79 -0.09 0.00 0.00 0.00 0.00 23.12 20.83 2bud s ALA 451 CO 0.91 -0.26 1.27 -1.25 0.00 0.00 0.00 175.76 176.43 2bud s PRO 452 N 0.78 4.42 -0.36 0.00 0.04 -1.26 -4.94 135.00 133.68 2bud s PRO 452 Ca -0.03 2.07 0.05 0.00 0.04 0.00 0.00 61.00 63.13 2bud s PRO 452 Cb -0.04 -3.15 0.26 0.00 0.04 0.00 0.00 34.50 31.62 2bud s PRO 452 CO -0.12 -0.15 1.24 -3.47 0.04 0.00 0.00 177.00 174.54 2bud n ASP 453 N 1.70 -1.53 0.00 6.66 -0.08 -1.26 -5.15 116.55 116.89 2bud n ASP 453 Ca 0.03 -2.25 0.00 0.00 -1.51 0.00 0.00 54.79 51.05 2bud n ASP 453 Cb 0.43 1.24 0.00 0.00 2.34 0.00 0.00 41.12 45.12 2bud n ASP 453 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32