#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cul h MET 378 N 0.00 -0.09 -6.00 0.03 2.07 -2.11 -3.45 114.93 105.37 1cul h MET 378 Ca 0.00 0.01 -0.61 0.00 -2.07 0.00 0.00 59.70 57.02 1cul h MET 378 Cb 0.00 0.02 -0.05 0.00 -1.87 0.00 0.00 31.60 29.70 1cul h MET 378 CO 0.00 0.39 -0.52 -0.06 1.07 0.00 0.00 176.91 177.78 1cul s PHE 379 N -4.02 3.42 0.76 -0.22 0.40 -1.26 -5.09 117.98 111.98 1cul s PHE 379 Ca -0.15 0.18 -0.14 0.00 -0.60 0.00 0.00 56.93 56.23 1cul s PHE 379 Cb 0.01 -1.71 0.06 0.00 0.51 0.00 0.00 43.02 41.89 1cul s PHE 379 CO 0.62 0.56 1.18 -1.01 0.70 0.00 0.00 175.22 177.26 1cul s HIS 380 N -1.52 2.06 0.17 0.36 3.76 -1.26 -4.90 115.29 113.96 1cul s HIS 380 Ca 0.33 1.63 -0.31 0.00 -0.15 0.00 0.00 55.06 56.57 1cul s HIS 380 Cb -0.12 -3.38 -0.09 0.00 1.11 0.00 0.00 32.58 30.10 1cul s HIS 380 CO 0.26 -2.49 1.40 0.21 -0.85 0.00 0.00 174.74 173.27 1cul s LYS 381 N -4.16 4.32 -0.29 1.40 2.20 -1.26 -4.99 119.74 116.96 1cul s LYS 381 Ca 0.71 2.14 -0.11 0.00 -0.36 0.00 0.00 55.97 58.35 1cul s LYS 381 Cb -0.26 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1cul s LYS 381 CO 0.48 -0.40 0.19 -1.50 -0.36 0.00 0.00 175.35 173.76 1cul s ILE 382 N 0.63 5.22 -1.26 5.43 2.07 -1.26 -5.00 121.20 127.03 1cul s ILE 382 Ca 0.62 0.03 -0.07 0.00 -1.41 0.00 0.00 60.65 59.83 1cul s ILE 382 Cb -0.38 -3.54 0.17 0.00 0.13 0.00 0.00 42.46 38.84 1cul s ILE 382 CO 0.35 0.19 2.04 -1.22 -1.91 0.00 0.00 174.94 174.38 1cul n TYR 383 N 5.06 2.70 -4.13 3.50 4.02 -1.26 -4.92 117.16 122.13 1cul n TYR 383 Ca -0.14 -2.76 -0.15 0.00 -0.01 0.00 0.00 57.90 54.84 1cul n TYR 383 Cb 0.51 -1.78 -0.12 0.00 -0.02 0.00 0.00 39.34 37.93 1cul n TYR 383 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1cul s ILE 384 N -0.87 0.71 -0.08 -0.72 1.01 -1.26 -2.08 121.20 117.92 1cul s ILE 384 Ca 0.44 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 1cul s ILE 384 Cb 0.13 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.91 1cul s ILE 384 CO -0.03 -0.24 0.25 0.00 0.00 0.00 0.00 174.94 174.92 1cul s GLN 385 N -1.38 0.37 0.25 2.79 -2.07 -0.52 -4.98 119.66 114.12 1cul s GLN 385 Ca -0.06 0.20 -0.27 0.00 -1.82 0.00 0.00 55.36 53.42 1cul s GLN 385 Cb -0.09 0.17 -0.09 0.00 -1.09 0.00 0.00 33.01 31.92 1cul s GLN 385 CO 0.01 -0.06 0.88 0.21 -1.32 0.00 0.00 175.29 175.01 1cul s LYS 386 N -0.22 4.64 -0.10 9.60 2.20 -1.26 -1.85 119.74 132.74 1cul s LYS 386 Ca -0.03 1.30 -0.03 0.00 -0.36 0.00 0.00 55.97 56.84 1cul s LYS 386 Cb -0.03 -3.07 0.05 0.00 -1.51 0.00 0.00 37.83 33.26 1cul s LYS 386 CO 0.01 0.44 0.08 -1.01 -0.36 0.00 0.00 175.35 174.51 1cul s HIS 387 N -1.36 0.08 0.57 4.03 3.76 -0.10 -4.99 115.29 117.29 1cul s HIS 387 Ca 0.43 0.05 -0.03 0.00 -0.15 0.00 0.00 55.06 55.37 1cul s HIS 387 Cb -0.22 -0.55 0.02 0.00 1.11 0.00 0.00 32.58 32.95 1cul s HIS 387 CO 0.27 -0.34 0.84 -0.51 -0.85 0.00 0.00 174.74 174.15 1cul s ASP 388 N 2.17 5.40 -0.72 1.40 1.01 -1.26 -1.41 116.67 123.25 1cul s ASP 388 Ca 0.04 0.37 -0.06 0.00 0.71 0.00 0.00 52.55 53.61 1cul s ASP 388 Cb -0.14 -1.32 0.01 0.00 1.01 0.00 0.00 42.92 42.48 1cul s ASP 388 CO -0.06 -1.12 0.64 0.59 0.21 0.00 0.00 175.17 175.44 1cul n ASN 389 N -2.48 -6.21 -4.08 0.27 3.02 -1.20 -4.93 115.26 99.66 1cul n ASN 389 Ca 0.05 -0.44 -0.10 0.00 -0.03 0.00 0.00 54.58 54.07 1cul n ASN 389 Cb 0.59 -3.25 -0.11 0.00 -0.61 0.00 0.00 39.78 36.40 1cul n ASN 389 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1cul s VAL 390 N -2.79 0.40 -0.09 2.41 1.01 -0.55 -4.78 120.40 116.01 1cul s VAL 390 Ca 0.06 -1.47 0.05 0.00 0.00 0.00 0.00 61.98 60.62 1cul s VAL 390 Cb -0.01 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 1cul s VAL 390 CO 0.83 -0.71 -0.24 -0.44 0.00 0.00 0.00 175.10 174.54 1cul s SER 391 N -2.31 3.05 -0.15 3.32 0.01 -0.87 -0.80 113.70 115.95 1cul s SER 391 Ca -0.01 -0.54 -0.00 0.00 1.31 0.00 0.00 55.95 56.71 1cul s SER 391 Cb -0.01 -1.24 -0.01 0.00 0.21 0.00 0.00 66.02 64.97 1cul s SER 391 CO -0.04 0.18 -0.13 -0.63 0.41 0.00 0.00 173.24 173.03 1cul s ILE 392 N 0.21 2.98 -0.08 1.44 1.09 0.51 -1.29 121.20 126.05 1cul s ILE 392 Ca -0.15 -0.67 0.02 0.00 -1.10 0.00 0.00 60.65 58.75 1cul s ILE 392 Cb -0.17 -2.26 -0.02 0.00 -1.06 0.00 0.00 42.46 38.94 1cul s ILE 392 CO 0.07 0.51 -0.12 -0.22 -0.10 0.00 0.00 174.94 175.08 1cul s LEU 393 N 0.62 2.81 -0.07 2.97 0.20 -0.38 -2.12 118.68 122.72 1cul s LEU 393 Ca -0.07 -0.21 0.04 0.00 0.69 0.00 0.00 54.13 54.57 1cul s LEU 393 Cb -0.15 -1.60 0.00 0.00 -0.43 0.00 0.00 46.19 44.01 1cul s LEU 393 CO 0.03 0.28 -0.18 -0.36 -0.29 0.00 0.00 176.35 175.83 1cul s PHE 394 N -0.34 1.93 -0.06 5.38 0.08 0.78 -1.97 117.98 123.78 1cul s PHE 394 Ca 0.04 -0.70 0.04 0.00 0.12 0.00 0.00 56.93 56.42 1cul s PHE 394 Cb -0.13 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 1cul s PHE 394 CO 0.02 -0.29 -0.16 0.00 -0.10 0.00 0.00 175.22 174.69 1cul s ALA 395 N 0.35 1.51 -0.02 5.36 0.00 0.14 -0.20 121.76 128.89 1cul s ALA 395 Ca -0.12 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1cul s ALA 395 Cb -0.15 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1cul s ALA 395 CO 0.05 0.22 0.05 0.34 0.00 0.00 0.00 175.76 176.42 1cul s ASP 396 N 0.30 -0.01 0.22 0.00 -1.08 -0.94 0.39 116.67 115.55 1cul s ASP 396 Ca -0.10 0.09 -0.30 0.00 -0.52 0.00 0.00 52.55 51.73 1cul s ASP 396 Cb -0.14 0.03 -0.08 0.00 -1.46 0.00 0.00 42.92 41.27 1cul s ASP 396 CO 0.04 -0.08 1.02 -0.63 0.52 0.00 0.00 175.17 176.04 1cul s ILE 397 N 0.61 3.92 0.31 4.11 1.01 -1.07 -1.49 121.20 128.60 1cul s ILE 397 Ca -0.05 1.82 -0.27 0.00 0.00 0.00 0.00 60.65 62.16 1cul s ILE 397 Cb -0.07 -4.16 -0.10 0.00 0.01 0.00 0.00 42.46 38.14 1cul s ILE 397 CO -0.02 0.39 0.95 -1.61 0.00 0.00 0.00 174.94 174.65 1cul s GLU 398 N -0.94 4.60 -1.52 2.79 2.02 0.16 -4.12 118.70 121.69 1cul s GLU 398 Ca 0.44 1.37 -0.10 0.00 0.02 0.00 0.00 54.97 56.71 1cul s GLU 398 Cb -0.28 -2.86 0.07 0.00 0.10 0.00 0.00 34.13 31.16 1cul s GLU 398 CO 0.35 0.29 0.74 0.41 0.02 0.00 0.00 175.26 177.07 1cul n GLY 399 N 0.69 -0.38 0.32 -1.39 0.00 -1.26 -4.69 105.19 98.47 1cul n GLY 399 Ca 0.01 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 1cul n GLY 399 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1cul h PHE 400 N -1.83 1.08 -0.31 1.61 3.57 -1.98 0.20 116.94 119.27 1cul h PHE 400 Ca -0.60 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 60.76 1cul h PHE 400 Cb 1.38 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1cul h PHE 400 CO 0.55 0.77 -0.24 1.15 -2.23 0.00 0.00 178.31 178.31 1cul h THR 401 N 1.07 1.27 -0.16 4.41 2.02 -1.94 -0.17 112.91 119.41 1cul h THR 401 Ca 0.27 -1.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.10 1cul h THR 401 Cb 0.07 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1cul h THR 401 CO -0.04 0.42 -0.08 -1.28 0.37 0.00 0.00 175.52 174.92 1cul h SER 402 N 0.54 0.35 -0.63 4.18 0.87 -1.84 -2.79 113.55 114.22 1cul h SER 402 Ca 0.08 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 1cul h SER 402 Cb 0.70 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 1cul h SER 402 CO 0.05 0.68 0.32 0.25 -0.53 0.00 0.00 176.83 177.60 1cul h LEU 403 N 0.01 0.82 -1.58 2.23 5.85 -0.48 -2.71 115.31 119.44 1cul h LEU 403 Ca 0.04 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1cul h LEU 403 Cb 0.55 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 1cul h LEU 403 CO 0.02 0.70 -0.11 0.00 -0.34 0.00 0.00 178.44 178.72 1cul h ALA 404 N 1.14 1.08 -0.01 1.25 0.00 -1.03 -2.81 119.26 118.88 1cul h ALA 404 Ca 0.22 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1cul h ALA 404 Cb 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1cul h ALA 404 CO -0.03 0.13 -0.76 0.77 0.00 0.00 0.00 179.25 179.36 1cul h SER 405 N 0.00 0.15 0.00 0.00 0.02 -1.19 -3.38 113.55 109.15 1cul h SER 405 Ca -0.00 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1cul h SER 405 Cb 0.51 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1cul h SER 405 CO 0.01 0.85 -0.09 1.56 -1.14 0.00 0.00 176.83 178.03 1cul h GLN 406 N 0.07 0.00 -7.17 3.45 4.20 -1.47 -3.48 115.11 110.72 1cul h GLN 406 Ca -0.02 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.19 1cul h GLN 406 Cb 1.34 0.00 0.05 0.00 0.30 0.00 0.00 27.48 29.17 1cul h GLN 406 CO 0.11 0.19 0.29 0.00 -0.67 0.00 0.00 178.83 178.74 1cul n THR 408 N -2.46 3.93 0.26 0.00 -1.04 -1.26 -4.81 114.28 108.89 1cul n THR 408 Ca 0.04 -0.42 0.13 0.00 -2.04 0.00 0.00 64.05 61.75 1cul n THR 408 Cb 0.54 -1.33 0.69 0.00 -1.82 0.00 0.00 70.33 68.42 1cul n THR 408 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cul h ALA 409 N 0.12 1.21 0.06 2.41 0.00 -1.96 -1.23 119.26 119.87 1cul h ALA 409 Ca -0.49 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1cul h ALA 409 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1cul h ALA 409 CO 0.50 0.16 -0.03 0.37 0.00 0.00 0.00 179.25 180.26 1cul h GLN 410 N 0.00 -0.08 -0.08 0.00 4.15 -2.01 -3.21 115.11 113.88 1cul h GLN 410 Ca -0.00 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1cul h GLN 410 Cb 0.41 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1cul h GLN 410 CO 0.02 0.50 -0.50 1.05 -1.93 0.00 0.00 178.83 177.98 1cul h GLU 411 N -0.79 0.21 -0.16 1.69 4.11 -1.88 -2.85 114.58 114.91 1cul h GLU 411 Ca -0.01 -0.12 0.03 0.00 0.07 0.00 0.00 59.36 59.33 1cul h GLU 411 Cb 0.62 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1cul h GLU 411 CO 0.01 0.66 -0.03 1.25 0.07 0.00 0.00 179.01 180.98 1cul h LEU 412 N 0.17 -0.12 -1.52 3.06 5.85 -1.35 -0.78 115.31 120.61 1cul h LEU 412 Ca 0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1cul h LEU 412 Cb 0.94 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1cul h LEU 412 CO 0.08 -0.04 0.29 0.58 -0.34 0.00 0.00 178.44 179.00 1cul h VAL 413 N 0.01 1.12 -0.25 1.05 2.07 -1.53 -0.60 116.25 118.12 1cul h VAL 413 Ca 0.07 -0.25 -0.17 0.00 0.82 0.00 0.00 66.70 67.17 1cul h VAL 413 Cb 0.11 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1cul h VAL 413 CO -0.15 0.12 -0.50 0.24 0.02 0.00 0.00 177.57 177.30 1cul h MET 414 N 0.62 0.79 -0.28 1.57 2.86 -1.16 -0.02 114.93 119.31 1cul h MET 414 Ca 0.17 -0.51 -0.09 0.00 -2.06 0.00 0.00 59.70 57.21 1cul h MET 414 Cb -0.05 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1cul h MET 414 CO -0.03 1.13 -0.19 1.15 1.06 0.00 0.00 176.91 180.03 1cul h THR 415 N 0.54 1.25 0.08 2.22 2.02 -0.73 -1.47 112.91 116.82 1cul h THR 415 Ca 0.01 -1.17 -0.25 0.00 0.77 0.00 0.00 66.41 65.77 1cul h THR 415 Cb 1.11 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1cul h THR 415 CO 0.11 0.38 -1.14 -0.07 0.37 0.00 0.00 175.52 175.17 1cul h LEU 416 N 0.46 0.28 -0.42 2.58 4.07 -1.05 -2.64 115.31 118.58 1cul h LEU 416 Ca 0.07 -0.29 -0.18 0.00 0.08 0.00 0.00 57.88 57.56 1cul h LEU 416 Cb 0.60 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 1cul h LEU 416 CO 0.04 1.22 -0.71 -1.13 -1.08 0.00 0.00 178.44 176.78 1cul h ASN 417 N 0.05 0.47 -0.07 -0.43 -1.24 -0.89 -0.98 115.58 112.49 1cul h ASN 417 Ca -0.09 -0.30 -0.01 0.00 0.71 0.00 0.00 56.30 56.61 1cul h ASN 417 Cb 1.87 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 40.78 1cul h ASN 417 CO 0.18 1.04 0.02 -0.08 -1.29 0.00 0.00 177.43 177.29 1cul h GLU 418 N 0.27 0.11 0.05 6.67 4.57 -1.32 -2.00 114.58 122.94 1cul h GLU 418 Ca -0.03 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1cul h GLU 418 Cb 1.28 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1cul h GLU 418 CO 0.12 0.28 -0.03 1.25 -1.18 0.00 0.00 179.01 179.46 1cul h LEU 419 N -0.08 -0.06 -1.22 1.64 5.85 -1.43 -3.12 115.31 116.88 1cul h LEU 419 Ca 0.02 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1cul h LEU 419 Cb 0.22 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1cul h LEU 419 CO -0.00 0.17 -0.04 -0.26 -0.34 0.00 0.00 178.44 177.97 1cul h PHE 420 N -0.30 0.00 -0.11 1.25 0.05 -1.22 -2.32 116.94 114.29 1cul h PHE 420 Ca -0.01 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.66 1cul h PHE 420 Cb 0.26 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.22 1cul h PHE 420 CO -0.00 0.04 -0.43 0.00 -0.18 0.00 0.00 178.31 177.74 1cul h ALA 421 N 1.96 0.20 -0.75 2.45 0.00 -1.35 -2.03 119.26 119.75 1cul h ALA 421 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1cul h ALA 421 Cb 0.61 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1cul h ALA 421 CO 0.00 0.33 0.30 0.00 0.00 0.00 0.00 179.25 179.88 1cul h ARG 422 N 0.08 1.12 -0.74 0.00 3.08 -1.48 -2.12 114.38 114.32 1cul h ARG 422 Ca -0.02 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1cul h ARG 422 Cb 1.06 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.90 1cul h ARG 422 CO 0.09 0.91 0.43 0.74 -1.07 0.00 0.00 179.97 181.07 1cul h PHE 423 N 1.08 1.00 0.00 3.04 -1.00 -1.38 -1.14 116.94 118.53 1cul h PHE 423 Ca 0.25 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.98 1cul h PHE 423 Cb 0.21 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 1cul h PHE 423 CO 0.02 0.69 -0.17 -0.44 -1.61 0.00 0.00 178.31 176.79 1cul h ASP 424 N 1.02 0.00 0.00 2.17 3.45 -0.79 -1.20 116.42 121.07 1cul h ASP 424 Ca 0.26 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.72 1cul h ASP 424 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1cul h ASP 424 CO -0.05 0.17 -0.00 0.11 -1.57 0.00 0.00 179.24 177.91 1cul h LYS 425 N 0.00 -0.00 -0.16 3.56 1.57 -0.72 -3.21 116.57 117.61 1cul h LYS 425 Ca -0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1cul h LYS 425 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1cul h LYS 425 CO 0.02 0.77 0.11 -0.07 -0.57 0.00 0.00 179.45 179.71 1cul h LEU 426 N -0.77 0.09 -0.32 2.94 3.38 -1.02 -2.75 115.31 116.85 1cul h LEU 426 Ca -0.00 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1cul h LEU 426 Cb 0.77 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1cul h LEU 426 CO 0.00 0.06 -0.16 0.00 0.09 0.00 0.00 178.44 178.44 1cul h ALA 427 N 1.91 0.46 -0.78 1.53 0.00 -1.27 -1.81 119.26 119.31 1cul h ALA 427 Ca 0.07 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1cul h ALA 427 Cb 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1cul h ALA 427 CO -0.01 0.36 0.31 0.00 0.00 0.00 0.00 179.25 179.91 1cul h ALA 428 N 0.77 1.01 0.55 0.00 0.00 -1.49 0.11 119.26 120.22 1cul h ALA 428 Ca 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1cul h ALA 428 Cb 0.69 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1cul h ALA 428 CO 0.05 0.64 -0.27 0.93 0.00 0.00 0.00 179.25 180.60 1cul h GLU 429 N 1.13 -0.72 -0.12 0.00 5.08 -1.52 -3.00 114.58 115.43 1cul h GLU 429 Ca 0.26 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1cul h GLU 429 Cb 0.22 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1cul h GLU 429 CO -0.02 -0.41 0.00 0.09 -1.00 0.00 0.00 179.01 177.67 1cul n ASN 430 N -5.33 0.12 -1.84 1.42 3.02 -0.68 -4.83 115.26 107.14 1cul n ASN 430 Ca -0.12 -1.07 -0.20 0.00 -0.03 0.00 0.00 54.58 53.16 1cul n ASN 430 Cb 0.33 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.39 1cul n ASN 430 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1cul n HIS 431 N -0.34 -0.38 -3.61 3.10 8.25 -1.00 -4.67 115.22 116.58 1cul n HIS 431 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1cul n HIS 431 Cb 0.03 -3.56 -0.04 0.00 1.12 0.00 0.00 29.99 27.53 1cul n HIS 431 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cul s LEU 433 N -2.82 3.91 0.24 0.00 2.96 0.11 -4.16 118.68 118.91 1cul s LEU 433 Ca 0.42 -1.07 -0.30 0.00 -0.22 0.00 0.00 54.13 52.96 1cul s LEU 433 Cb -0.12 -1.78 -0.09 0.00 0.50 0.00 0.00 46.19 44.70 1cul s LEU 433 CO 0.25 -0.25 1.33 -0.60 -1.32 0.00 0.00 176.35 175.77 1cul s ARG 434 N 1.35 4.36 0.00 1.98 3.00 -1.26 -0.60 118.95 127.78 1cul s ARG 434 Ca -0.02 2.14 0.00 0.00 -1.00 0.00 0.00 55.73 56.85 1cul s ARG 434 Cb -0.19 -3.15 0.00 0.00 0.00 0.00 0.00 34.95 31.62 1cul s ARG 434 CO 0.00 -0.26 0.00 -0.89 0.00 0.00 0.00 175.30 174.15 1cul n ILE 435 N 2.11 0.00 -4.21 4.11 2.08 0.28 -4.91 119.36 118.82 1cul n ILE 435 Ca 0.05 0.11 -0.14 0.00 0.56 0.00 0.00 62.75 63.32 1cul n ILE 435 Cb 0.42 -0.87 -0.09 0.00 -0.75 0.00 0.00 39.64 38.35 1cul n ILE 435 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1cul s LYS 436 N -0.22 1.46 -0.12 0.38 1.02 -1.23 -4.82 119.74 116.21 1cul s LYS 436 Ca 0.00 -1.74 -0.00 0.00 0.02 0.00 0.00 55.97 54.24 1cul s LYS 436 Cb 0.00 0.31 0.03 0.00 -0.52 0.00 0.00 37.83 37.65 1cul s LYS 436 CO 0.00 -0.52 -0.08 0.42 -0.92 0.00 0.00 175.35 174.25 1cul s ILE 437 N -3.83 1.06 -0.84 2.17 1.01 -1.26 -3.00 121.20 116.50 1cul s ILE 437 Ca 0.38 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.71 1cul s ILE 437 Cb 0.04 -1.08 0.29 0.00 0.01 0.00 0.00 42.46 41.72 1cul s ILE 437 CO 0.18 0.36 1.17 0.18 0.00 0.00 0.00 174.94 176.82 1cul n LEU 438 N 4.93 5.25 0.00 2.97 4.77 0.33 -4.94 117.00 130.31 1cul n LEU 438 Ca -0.13 -5.38 0.00 0.00 -0.03 0.00 0.00 56.01 50.47 1cul n LEU 438 Cb 0.50 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1cul n LEU 438 CO 0.17 1.95 0.00 0.61 -1.33 0.00 0.00 177.39 178.79 1cul n GLY 439 N 0.81 2.02 0.23 -0.72 0.00 -1.26 -2.72 105.19 103.56 1cul n GLY 439 Ca 0.30 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.48 1cul n GLY 439 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cul n ASP 440 N 4.77 1.34 -4.66 1.61 3.85 -1.26 -4.98 116.55 117.22 1cul n ASP 440 Ca 0.00 -1.17 -0.37 0.00 -0.71 0.00 0.00 54.79 52.54 1cul n ASP 440 Cb 0.00 0.20 -0.09 0.00 -1.35 0.00 0.00 41.12 39.88 1cul n ASP 440 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1cul s TYR 442 N 1.15 2.53 0.01 0.00 5.04 0.16 -0.51 117.35 125.73 1cul s TYR 442 Ca 0.10 -1.27 0.01 0.00 -2.44 0.00 0.00 57.07 53.47 1cul s TYR 442 Cb -0.14 -1.74 -0.01 0.00 0.35 0.00 0.00 41.96 40.43 1cul s TYR 442 CO 0.05 -0.59 -0.03 1.52 -1.34 0.00 0.00 175.55 175.17 1cul s TYR 443 N 0.85 0.24 0.14 4.97 -0.85 -1.16 0.25 117.35 121.79 1cul s TYR 443 Ca -0.07 -0.16 -0.00 0.00 -0.52 0.00 0.00 57.07 56.32 1cul s TYR 443 Cb -0.15 -0.16 -0.04 0.00 0.38 0.00 0.00 41.96 41.99 1cul s TYR 443 CO -0.02 -0.04 0.04 0.00 -1.52 0.00 0.00 175.55 174.01 1cul s VAL 445 N -3.93 0.85 -0.09 0.00 1.01 0.23 -1.25 120.40 117.22 1cul s VAL 445 Ca 0.24 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 1cul s VAL 445 Cb 0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1cul s VAL 445 CO 0.02 0.27 -0.01 -0.55 0.00 0.00 0.00 175.10 174.83 1cul s SER 446 N 0.27 5.11 0.00 3.32 0.15 -0.41 0.06 113.70 122.20 1cul s SER 446 Ca -0.05 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1cul s SER 446 Cb -0.10 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 1cul s SER 446 CO 0.01 0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.41 1cul n GLY 447 N 2.34 1.28 3.02 9.45 0.00 -1.26 -2.04 105.19 117.98 1cul n GLY 447 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1cul n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cul s LEU 448 N 0.00 2.20 0.35 0.99 1.43 -1.26 -4.06 118.68 118.32 1cul s LEU 448 Ca 0.00 -0.43 0.19 0.00 -1.03 0.00 0.00 54.13 52.86 1cul s LEU 448 Cb 0.00 -0.12 0.33 0.00 0.03 0.00 0.00 46.19 46.43 1cul s LEU 448 CO 0.00 -0.17 1.57 1.55 0.23 0.00 0.00 176.35 179.53 1cul h PRO 449 N 4.89 0.00 -5.73 1.29 0.13 -1.96 -3.42 132.00 127.20 1cul h PRO 449 Ca -0.33 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.15 1cul h PRO 449 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1cul h PRO 449 CO 0.43 0.35 -0.46 -1.21 -0.23 0.00 0.00 178.00 176.88 1cul s GLU 450 N -3.18 3.48 0.42 0.86 2.02 -1.26 -5.07 118.70 115.97 1cul s GLU 450 Ca 0.04 -0.14 -0.24 0.00 0.02 0.00 0.00 54.97 54.65 1cul s GLU 450 Cb 0.08 -3.16 -0.11 0.00 0.10 0.00 0.00 34.13 31.04 1cul s GLU 450 CO 0.71 0.74 0.88 0.00 0.02 0.00 0.00 175.26 177.60 1cul n ALA 451 N 1.62 -0.34 -3.52 5.21 0.00 -1.26 -4.63 120.51 117.59 1cul n ALA 451 Ca -0.16 0.21 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 1cul n ALA 451 Cb 0.54 -1.99 -0.07 0.00 0.00 0.00 0.00 19.45 17.93 1cul n ALA 451 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1cul s ARG 452 N -1.89 0.40 0.00 0.00 3.52 -1.26 -4.99 118.95 114.73 1cul s ARG 452 Ca 0.64 0.97 0.22 0.00 -0.13 0.00 0.00 55.73 57.43 1cul s ARG 452 Cb -0.58 0.24 1.15 0.00 -1.56 0.00 0.00 34.95 34.20 1cul s ARG 452 CO 0.57 -0.38 1.70 0.00 -0.81 0.00 0.00 175.30 176.37 1cul n ALA 453 N 5.40 2.17 0.94 6.12 0.00 -1.26 -2.16 120.51 131.71 1cul n ALA 453 Ca -0.07 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.38 1cul n ALA 453 Cb 0.50 -1.35 0.30 0.00 0.00 0.00 0.00 19.45 18.90 1cul n ALA 453 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1cul n ASP 454 N -1.22 2.40 -0.05 0.00 2.03 -1.26 -4.66 116.55 113.79 1cul n ASP 454 Ca 0.12 -1.82 -0.10 0.00 0.52 0.00 0.00 54.79 53.51 1cul n ASP 454 Cb 0.15 -0.12 -0.04 0.00 -0.72 0.00 0.00 41.12 40.38 1cul n ASP 454 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1cul h HIS 455 N 3.30 -1.04 -0.68 -0.67 2.07 -1.78 -2.06 115.15 114.29 1cul h HIS 455 Ca 0.00 0.05 0.05 0.00 -2.85 0.00 0.00 60.37 57.62 1cul h HIS 455 Cb 0.72 0.49 -0.04 0.00 2.57 0.00 0.00 27.41 31.15 1cul h HIS 455 CO 0.12 -0.42 0.45 0.00 -3.07 0.00 0.00 177.93 175.01 1cul h ALA 456 N 0.42 1.70 -0.40 6.11 0.00 -1.84 -2.09 119.26 123.16 1cul h ALA 456 Ca 0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1cul h ALA 456 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1cul h ALA 456 CO -0.45 0.21 -0.01 0.45 0.00 0.00 0.00 179.25 179.45 1cul h HIS 457 N 0.74 0.79 0.08 0.00 -0.00 -1.73 -2.21 115.15 112.82 1cul h HIS 457 Ca 0.28 -0.14 0.01 0.00 -0.00 0.00 0.00 60.37 60.52 1cul h HIS 457 Cb 0.19 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 1cul h HIS 457 CO -0.00 0.80 -0.14 0.00 -0.00 0.00 0.00 177.93 178.59 1cul h VAL 460 N 1.26 1.26 -0.49 0.00 2.07 -1.09 -1.25 116.25 118.02 1cul h VAL 460 Ca 0.34 -1.03 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 1cul h VAL 460 Cb -0.13 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1cul h VAL 460 CO -0.07 0.38 -0.14 -0.33 0.02 0.00 0.00 177.57 177.42 1cul h GLU 461 N 0.88 0.93 -0.89 1.57 4.39 0.21 -2.28 114.58 119.39 1cul h GLU 461 Ca 0.17 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.54 1cul h GLU 461 Cb 0.46 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 1cul h GLU 461 CO 0.02 1.00 0.58 1.98 -1.16 0.00 0.00 179.01 181.43 1cul h MET 462 N 0.82 1.15 -0.28 2.33 4.05 0.50 -1.58 114.93 121.91 1cul h MET 462 Ca 0.13 -0.07 -0.11 0.00 -0.28 0.00 0.00 59.70 59.36 1cul h MET 462 Cb 0.68 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1cul h MET 462 CO 0.05 0.76 -0.30 0.78 0.23 0.00 0.00 176.91 178.43 1cul h GLY 463 N 1.18 0.64 0.95 1.39 0.00 -1.02 -0.62 103.07 105.59 1cul h GLY 463 Ca 0.33 -0.57 0.01 0.00 0.00 0.00 0.00 47.33 47.09 1cul h GLY 463 CO -0.08 0.52 0.02 -0.33 0.00 0.00 0.00 176.54 176.67 1cul h MET 464 N 0.51 0.05 -0.25 4.80 2.07 -0.76 -1.07 114.93 120.28 1cul h MET 464 Ca 0.06 -0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.59 1cul h MET 464 Cb 0.77 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.48 1cul h MET 464 CO 0.06 0.03 -0.26 -0.44 1.07 0.00 0.00 176.91 177.38 1cul h ASP 465 N 0.05 0.49 0.81 1.22 3.32 -1.21 -2.97 116.42 118.12 1cul h ASP 465 Ca 0.03 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 1cul h ASP 465 Cb 0.02 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.44 1cul h ASP 465 CO -0.03 0.74 -0.39 0.24 -1.72 0.00 0.00 179.24 178.08 1cul h MET 466 N 0.43 -1.05 -1.00 3.56 2.86 -0.68 -1.18 114.93 117.88 1cul h MET 466 Ca 0.06 0.07 0.18 0.00 -2.06 0.00 0.00 59.70 57.96 1cul h MET 466 Cb 0.67 0.24 -0.10 0.00 0.06 0.00 0.00 31.60 32.47 1cul h MET 466 CO 0.05 -0.69 0.61 0.82 1.06 0.00 0.00 176.91 178.76 1cul h ILE 467 N -1.13 0.73 -0.16 -1.22 2.04 -1.23 0.42 117.51 116.95 1cul h ILE 467 Ca -0.11 -0.26 -0.16 0.00 1.00 0.00 0.00 64.86 65.33 1cul h ILE 467 Cb 0.84 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1cul h ILE 467 CO 0.18 0.14 -0.56 -0.08 0.00 0.00 0.00 178.15 177.83 1cul h GLU 468 N 0.75 0.50 -0.64 2.37 4.81 -1.41 -2.78 114.58 118.18 1cul h GLU 468 Ca 0.56 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1cul h GLU 468 Cb 0.89 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1cul h GLU 468 CO -0.35 0.92 0.19 0.00 -0.73 0.00 0.00 179.01 179.05 1cul h ALA 469 N 1.01 0.84 -0.16 2.92 0.00 0.32 -2.34 119.26 121.84 1cul h ALA 469 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1cul h ALA 469 Cb 1.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1cul h ALA 469 CO 0.10 0.53 -0.13 0.82 0.00 0.00 0.00 179.25 180.57 1cul h ILE 470 N 0.93 1.18 -0.36 0.00 2.04 -1.12 -2.43 117.51 117.76 1cul h ILE 470 Ca 0.21 -0.80 -0.14 0.00 1.00 0.00 0.00 64.86 65.13 1cul h ILE 470 Cb 0.31 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1cul h ILE 470 CO -0.00 0.25 -0.32 0.28 0.00 0.00 0.00 178.15 178.35 1cul h SER 471 N 0.25 0.82 -0.39 1.72 0.02 -1.14 -0.46 113.55 114.36 1cul h SER 471 Ca 0.05 -0.34 -0.14 0.00 -0.84 0.00 0.00 61.79 60.52 1cul h SER 471 Cb 0.38 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1cul h SER 471 CO 0.02 1.07 -0.31 -0.07 -1.14 0.00 0.00 176.83 176.41 1cul h LEU 472 N 0.66 0.95 -0.94 5.07 3.38 -1.18 -2.96 115.31 120.30 1cul h LEU 472 Ca 0.07 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1cul h LEU 472 Cb 0.86 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1cul h LEU 472 CO 0.08 1.20 -0.48 0.58 0.09 0.00 0.00 178.44 179.90 1cul h VAL 473 N 0.72 1.19 -0.66 1.22 2.07 -1.35 0.77 116.25 120.20 1cul h VAL 473 Ca 0.07 -1.73 -0.08 0.00 0.82 0.00 0.00 66.70 65.78 1cul h VAL 473 Cb 0.90 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1cul h VAL 473 CO 0.08 0.47 0.09 -0.09 0.02 0.00 0.00 177.57 178.14 1cul h ARG 474 N 0.00 1.11 0.06 1.57 2.43 -0.95 -1.06 114.38 117.54 1cul h ARG 474 Ca -0.00 -0.31 -0.17 0.00 -0.81 0.00 0.00 59.98 58.69 1cul h ARG 474 Cb 0.93 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1cul h ARG 474 CO 0.06 1.02 -0.86 0.93 -1.51 0.00 0.00 179.97 179.61 1cul h GLU 475 N 1.03 0.14 -1.00 0.20 5.08 -1.38 -1.36 114.58 117.30 1cul h GLU 475 Ca 0.20 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1cul h GLU 475 Cb 0.47 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 1cul h GLU 475 CO 0.02 1.11 0.66 1.98 -1.00 0.00 0.00 179.01 181.78 1cul h MET 476 N -0.66 1.31 0.00 2.33 4.05 -0.90 -3.11 114.93 117.96 1cul h MET 476 Ca -0.20 -0.08 -0.10 0.00 -0.28 0.00 0.00 59.70 59.04 1cul h MET 476 Cb 1.43 -0.30 -0.02 0.00 -0.80 0.00 0.00 31.60 31.91 1cul h MET 476 CO 0.00 0.87 -1.70 2.41 0.23 0.00 0.00 176.91 178.72 1cul n THR 477 N -4.38 0.66 -1.08 -0.77 -1.04 -0.40 -4.98 114.28 102.28 1cul n THR 477 Ca 0.12 -0.62 -0.03 0.00 -2.04 0.00 0.00 64.05 61.48 1cul n THR 477 Cb 0.01 -0.34 -0.01 0.00 -1.82 0.00 0.00 70.33 68.18 1cul n THR 477 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1cul n GLY 478 N 1.36 0.57 3.88 3.41 0.00 -0.52 -5.01 105.19 108.89 1cul n GLY 478 Ca -0.09 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 1cul n GLY 478 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cul s VAL 479 N -1.90 5.21 -1.38 1.61 1.01 -1.19 -5.01 120.40 118.74 1cul s VAL 479 Ca 0.00 0.30 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 1cul s VAL 479 Cb 0.00 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.84 1cul s VAL 479 CO 0.00 0.33 1.98 -3.20 0.00 0.00 0.00 175.10 174.21 1cul n ASN 480 N 1.03 4.42 -4.48 3.32 5.15 -1.26 -4.55 115.26 118.90 1cul n ASN 480 Ca -0.10 -2.90 -0.36 0.00 -0.60 0.00 0.00 54.58 50.63 1cul n ASN 480 Cb 0.53 -1.68 -0.12 0.00 -0.53 0.00 0.00 39.78 37.98 1cul n ASN 480 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1cul s VAL 481 N 3.32 4.31 0.03 3.44 -7.23 -1.26 -4.98 120.40 118.02 1cul s VAL 481 Ca 0.49 -0.18 0.03 0.00 -1.81 0.00 0.00 61.98 60.51 1cul s VAL 481 Cb 0.09 -2.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.02 1cul s VAL 481 CO -0.01 0.38 -0.09 0.20 -0.31 0.00 0.00 175.10 175.27 1cul s ASN 482 N 1.27 1.01 0.11 4.85 0.01 -1.26 -4.87 114.94 116.06 1cul s ASN 482 Ca 0.04 -0.38 0.05 0.00 -0.71 0.00 0.00 52.86 51.86 1cul s ASN 482 Cb -0.15 -0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.44 1cul s ASN 482 CO 0.03 -0.05 -0.12 -0.04 -1.51 0.00 0.00 177.10 175.41 1cul s MET 483 N -0.99 0.94 -0.07 -0.60 -1.94 -1.26 0.36 119.30 115.74 1cul s MET 483 Ca -0.03 -1.22 0.03 0.00 -1.71 0.00 0.00 55.69 52.76 1cul s MET 483 Cb -0.07 -0.68 -0.02 0.00 2.01 0.00 0.00 34.83 36.07 1cul s MET 483 CO 0.00 0.11 -0.17 1.03 -0.01 0.00 0.00 175.02 175.99 1cul s ARG 484 N -2.86 2.73 -0.10 2.03 0.52 -0.56 -0.98 118.95 119.73 1cul s ARG 484 Ca 0.08 -0.75 -0.01 0.00 -0.52 0.00 0.00 55.73 54.54 1cul s ARG 484 Cb -0.03 -2.38 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 1cul s ARG 484 CO 0.01 0.46 -0.08 0.08 0.02 0.00 0.00 175.30 175.80 1cul s VAL 485 N -0.32 3.59 -0.04 3.52 1.01 -1.05 -2.23 120.40 124.89 1cul s VAL 485 Ca 0.02 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1cul s VAL 485 Cb -0.13 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 1cul s VAL 485 CO 0.02 0.55 -0.14 -0.83 0.00 0.00 0.00 175.10 174.70 1cul s GLY 486 N -0.23 0.79 -0.01 4.51 0.00 0.72 -0.96 107.32 112.13 1cul s GLY 486 Ca 0.03 -0.56 0.02 0.00 0.00 0.00 0.00 44.72 44.20 1cul s GLY 486 CO 0.03 -0.25 -0.06 -0.42 0.00 0.00 0.00 173.10 172.39 1cul s ILE 487 N 0.10 0.49 0.07 0.90 1.01 -0.46 -0.16 121.20 123.16 1cul s ILE 487 Ca -0.04 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.26 1cul s ILE 487 Cb -0.11 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 41.94 1cul s ILE 487 CO 0.02 0.15 0.23 -2.28 0.00 0.00 0.00 174.94 173.05 1cul s HIS 488 N -0.02 0.05 0.01 3.97 2.46 -0.90 -2.84 115.29 118.02 1cul s HIS 488 Ca 0.01 -0.38 0.03 0.00 0.47 0.00 0.00 55.06 55.19 1cul s HIS 488 Cb -0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 32.58 32.40 1cul s HIS 488 CO -0.00 -0.53 -0.10 -1.12 -2.47 0.00 0.00 174.74 170.52 1cul s SER 489 N -2.56 1.15 0.00 9.88 0.01 -1.26 -0.37 113.70 120.55 1cul s SER 489 Ca 0.01 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1cul s SER 489 Cb 0.02 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1cul s SER 489 CO -0.08 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1cul n GLY 490 N 2.56 -0.68 3.91 3.44 0.00 0.02 -4.71 105.19 109.72 1cul n GLY 490 Ca -0.15 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1cul n GLY 490 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cul s ARG 491 N -0.84 3.40 0.01 1.61 1.70 -1.26 -1.48 118.95 122.08 1cul s ARG 491 Ca 0.00 -0.47 -0.05 0.00 -0.47 0.00 0.00 55.73 54.74 1cul s ARG 491 Cb 0.00 -3.01 -0.01 0.00 -0.57 0.00 0.00 34.95 31.36 1cul s ARG 491 CO 0.00 0.60 0.08 0.14 -1.08 0.00 0.00 175.30 175.05 1cul s VAL 492 N -1.51 0.10 -0.13 4.99 -7.23 -0.50 -4.47 120.40 111.64 1cul s VAL 492 Ca 0.35 -0.81 -0.06 0.00 -1.81 0.00 0.00 61.98 59.65 1cul s VAL 492 Cb -0.13 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 1cul s VAL 492 CO 0.28 -0.45 0.07 -1.00 -0.31 0.00 0.00 175.10 173.69 1cul s HIS 493 N -1.58 3.35 0.16 2.82 3.76 -0.08 -0.92 115.29 122.81 1cul s HIS 493 Ca -0.14 0.29 0.04 0.00 -0.15 0.00 0.00 55.06 55.10 1cul s HIS 493 Cb -0.07 -1.93 -0.05 0.00 1.11 0.00 0.00 32.58 31.64 1cul s HIS 493 CO 0.00 0.48 -0.07 0.00 -0.85 0.00 0.00 174.74 174.30 1cul n GLY 495 N -0.24 0.07 3.08 0.00 0.00 -0.26 -1.43 105.19 106.41 1cul n GLY 495 Ca -0.09 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 1cul n GLY 495 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1cul s VAL 496 N -4.00 0.34 -0.01 1.61 -7.23 -0.88 -0.37 120.40 109.85 1cul s VAL 496 Ca 0.00 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 1cul s VAL 496 Cb 0.00 -1.21 -0.01 0.00 0.56 0.00 0.00 36.38 35.72 1cul s VAL 496 CO 0.00 -0.81 -0.12 -0.76 -0.31 0.00 0.00 175.10 173.10 1cul s LEU 497 N -2.52 1.99 0.00 1.32 1.43 -1.26 -4.35 118.68 115.30 1cul s LEU 497 Ca 0.02 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1cul s LEU 497 Cb 0.02 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.60 1cul s LEU 497 CO -0.06 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1cul n GLY 498 N 2.85 -1.80 0.01 -3.19 0.00 -1.26 -4.80 105.19 96.99 1cul n GLY 498 Ca -0.15 -1.90 -0.01 0.00 0.00 0.00 0.00 46.02 43.96 1cul n GLY 498 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cul n LEU 499 N 0.00 2.71 -4.70 0.99 4.77 -1.26 -5.03 117.00 114.48 1cul n LEU 499 Ca 0.00 -0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.70 1cul n LEU 499 Cb 0.00 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 1cul n LEU 499 CO 0.00 0.49 -0.30 -0.13 -1.33 0.00 0.00 177.39 176.12 1cul s ARG 500 N -2.04 2.54 -1.36 3.23 1.81 -1.26 -4.67 118.95 117.19 1cul s ARG 500 Ca -0.03 -1.04 -0.01 0.00 -1.72 0.00 0.00 55.73 52.93 1cul s ARG 500 Cb 0.01 -2.44 0.01 0.00 -0.45 0.00 0.00 34.95 32.08 1cul s ARG 500 CO 0.05 0.46 0.59 1.63 -0.68 0.00 0.00 175.30 177.36 1cul n LYS 501 N -0.17 -4.22 -1.67 3.54 4.76 -1.26 -4.89 118.16 114.24 1cul n LYS 501 Ca -0.09 0.52 -0.45 0.00 -2.87 0.00 0.00 58.31 55.42 1cul n LYS 501 Cb 0.55 -4.91 -0.04 0.00 -1.84 0.00 0.00 35.03 28.79 1cul n LYS 501 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1cul n TRP 502 N -4.34 2.27 -3.68 2.13 7.02 -1.26 -4.99 117.44 114.58 1cul n TRP 502 Ca -0.29 0.32 -0.17 0.00 -1.02 0.00 0.00 57.50 56.34 1cul n TRP 502 Cb 0.67 -2.52 -0.16 0.00 -2.42 0.00 0.00 31.31 26.88 1cul n TRP 502 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1cul s GLN 503 N 0.44 -0.00 0.14 -0.99 -0.21 -1.26 -5.12 119.66 112.65 1cul s GLN 503 Ca 0.75 0.46 -0.34 0.00 0.02 0.00 0.00 55.36 56.24 1cul s GLN 503 Cb -0.66 -0.34 -0.14 0.00 1.00 0.00 0.00 33.01 32.87 1cul s GLN 503 CO 0.42 -0.29 1.54 0.34 -2.12 0.00 0.00 175.29 175.18 1cul n PHE 504 N 5.12 2.13 -4.03 0.91 7.35 -1.26 -4.67 117.46 123.01 1cul n PHE 504 Ca -0.08 0.33 -0.10 0.00 -0.76 0.00 0.00 57.45 56.85 1cul n PHE 504 Cb 0.50 -2.51 -0.08 0.00 0.35 0.00 0.00 39.48 37.75 1cul n PHE 504 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1cul s ASP 505 N 0.94 0.12 0.04 -2.13 -1.08 0.50 -4.64 116.67 110.42 1cul s ASP 505 Ca 0.80 -0.99 0.07 0.00 -0.52 0.00 0.00 52.55 51.91 1cul s ASP 505 Cb -0.73 0.39 -0.02 0.00 -1.46 0.00 0.00 42.92 41.10 1cul s ASP 505 CO 0.40 -0.85 -0.20 0.68 0.52 0.00 0.00 175.17 175.73 1cul s VAL 506 N -4.00 1.61 0.01 1.11 -7.23 -1.26 -1.10 120.40 109.53 1cul s VAL 506 Ca 0.20 -1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 59.18 1cul s VAL 506 Cb 0.05 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.58 1cul s VAL 506 CO 0.01 0.20 0.05 0.26 -0.31 0.00 0.00 175.10 175.32 1cul s TRP 507 N -0.78 0.12 0.00 2.82 0.51 0.00 -4.97 118.94 116.64 1cul s TRP 507 Ca 0.07 -0.26 0.00 0.00 -2.12 0.00 0.00 56.10 53.78 1cul s TRP 507 Cb -0.09 -0.10 0.00 0.00 -0.81 0.00 0.00 33.47 32.47 1cul s TRP 507 CO 0.02 -0.21 0.00 -1.13 -0.51 0.00 0.00 176.95 175.12 1cul n SER 508 N 1.75 0.00 -0.25 2.95 3.41 -1.26 -0.91 113.62 119.32 1cul n SER 508 Ca -0.22 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.42 1cul n SER 508 Cb 0.56 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.77 1cul n SER 508 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1cul h ASN 509 N 0.00 0.85 -0.61 4.04 2.35 -1.99 0.23 115.58 120.45 1cul h ASN 509 Ca 0.00 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1cul h ASN 509 Cb 0.00 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 1cul h ASN 509 CO 0.00 0.58 0.20 0.44 -1.65 0.00 0.00 177.43 177.00 1cul h ASP 510 N 0.98 0.91 -0.29 5.81 3.32 -1.94 0.56 116.42 125.77 1cul h ASP 510 Ca 0.33 -0.16 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 1cul h ASP 510 Cb 0.08 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1cul h ASP 510 CO -0.10 0.86 -0.45 0.58 -1.72 0.00 0.00 179.24 178.40 1cul h VAL 511 N 0.95 1.29 -0.67 -1.35 2.07 -1.37 -0.82 116.25 116.35 1cul h VAL 511 Ca 0.21 -1.64 0.03 0.00 0.82 0.00 0.00 66.70 66.12 1cul h VAL 511 Cb 0.27 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1cul h VAL 511 CO -0.01 0.53 0.41 0.74 0.02 0.00 0.00 177.57 179.27 1cul h THR 512 N 0.58 1.08 -0.39 2.57 2.02 0.41 -1.29 112.91 117.89 1cul h THR 512 Ca 0.02 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1cul h THR 512 Cb 1.05 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1cul h THR 512 CO 0.10 0.15 0.13 0.25 0.37 0.00 0.00 175.52 176.52 1cul h LEU 513 N 0.81 0.56 -1.28 2.58 5.85 0.21 -2.39 115.31 121.65 1cul h LEU 513 Ca 0.27 -0.20 0.10 0.00 0.84 0.00 0.00 57.88 58.89 1cul h LEU 513 Cb 0.03 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1cul h LEU 513 CO -0.11 0.61 0.55 0.00 -0.34 0.00 0.00 178.44 179.14 1cul h ALA 514 N 0.98 1.70 -0.38 1.25 0.00 -0.47 -0.53 119.26 121.80 1cul h ALA 514 Ca 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1cul h ALA 514 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1cul h ALA 514 CO -0.01 0.12 0.03 -0.97 0.00 0.00 0.00 179.25 178.43 1cul h ASN 515 N 0.80 0.63 0.52 0.00 -0.73 -0.89 -2.71 115.58 113.21 1cul h ASN 515 Ca 0.39 -0.28 -0.04 0.00 1.87 0.00 0.00 56.30 58.24 1cul h ASN 515 Cb 0.43 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 1cul h ASN 515 CO -0.16 0.76 -0.18 0.45 -0.37 0.00 0.00 177.43 177.93 1cul h HIS 516 N 0.49 0.00 -0.41 0.67 3.86 -0.72 -2.40 115.15 116.63 1cul h HIS 516 Ca 0.11 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 1cul h HIS 516 Cb 0.42 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1cul h HIS 516 CO 0.03 0.18 -0.14 0.52 0.86 0.00 0.00 177.93 179.38 1cul h MET 517 N 0.00 0.75 -0.33 2.45 2.86 -0.83 0.27 114.93 120.11 1cul h MET 517 Ca -0.00 -0.26 -0.09 0.00 -2.06 0.00 0.00 59.70 57.29 1cul h MET 517 Cb 0.49 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1cul h MET 517 CO 0.02 0.85 -0.14 1.49 1.06 0.00 0.00 176.91 180.19 1cul h GLU 518 N 0.67 0.68 -0.23 1.72 4.22 -1.32 0.11 114.58 120.42 1cul h GLU 518 Ca 0.11 -0.29 -0.07 0.00 0.08 0.00 0.00 59.36 59.19 1cul h GLU 518 Cb 0.62 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1cul h GLU 518 CO 0.04 0.88 -0.15 0.00 -2.18 0.00 0.00 179.01 177.61 1cul h ALA 519 N 0.78 1.33 -0.67 2.92 0.00 -1.11 -2.44 119.26 120.06 1cul h ALA 519 Ca 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1cul h ALA 519 Cb 0.67 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1cul h ALA 519 CO 0.05 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1cul n GLY 520 N -0.69 2.19 0.00 0.00 0.00 0.94 -4.90 105.19 102.74 1cul n GLY 520 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1cul n GLY 520 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cul n GLY 521 N 1.52 -0.69 3.16 -0.02 0.00 0.36 -4.77 105.19 104.75 1cul n GLY 521 Ca 0.23 -1.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.35 1cul n GLY 521 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cul s LYS 522 N -1.56 0.96 -0.01 1.61 1.02 -1.26 -5.04 119.74 115.45 1cul s LYS 522 Ca 0.00 -0.80 -0.36 0.00 0.02 0.00 0.00 55.97 54.83 1cul s LYS 522 Cb 0.00 -0.98 -0.14 0.00 -0.52 0.00 0.00 37.83 36.19 1cul s LYS 522 CO 0.00 0.24 1.66 0.00 -0.92 0.00 0.00 175.35 176.33 1cul n ALA 523 N 1.81 0.48 -2.06 5.17 0.00 -1.26 -2.01 120.51 122.64 1cul n ALA 523 Ca -0.18 0.40 -0.14 0.00 0.00 0.00 0.00 53.44 53.52 1cul n ALA 523 Cb 0.54 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 1cul n ALA 523 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cul n GLY 524 N 3.70 0.18 3.12 0.00 0.00 -0.15 -5.01 105.19 107.03 1cul n GLY 524 Ca 0.21 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 1cul n GLY 524 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cul s ARG 525 N -4.32 0.67 -0.36 1.61 0.52 -0.85 -5.05 118.95 111.16 1cul s ARG 525 Ca 0.00 -1.17 -0.11 0.00 -0.52 0.00 0.00 55.73 53.93 1cul s ARG 525 Cb 0.00 0.24 0.02 0.00 0.52 0.00 0.00 34.95 35.73 1cul s ARG 525 CO 0.00 -0.15 0.21 0.42 0.02 0.00 0.00 175.30 175.80 1cul s ILE 526 N -3.91 4.69 -0.38 1.52 1.01 -1.26 -2.52 121.20 120.34 1cul s ILE 526 Ca 0.07 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 1cul s ILE 526 Cb 0.07 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.99 1cul s ILE 526 CO -0.10 -0.18 0.48 -2.28 0.00 0.00 0.00 174.94 172.86 1cul s HIS 527 N 1.59 3.17 0.27 3.97 2.46 -0.14 -1.88 115.29 124.72 1cul s HIS 527 Ca 0.03 -0.07 0.11 0.00 0.47 0.00 0.00 55.06 55.60 1cul s HIS 527 Cb -0.19 -2.92 -0.05 0.00 -0.13 0.00 0.00 32.58 29.30 1cul s HIS 527 CO 0.07 -0.61 -0.13 0.96 -2.47 0.00 0.00 174.74 172.56 1cul s ILE 528 N 2.29 2.82 0.68 0.89 -4.36 0.35 -1.35 121.20 122.52 1cul s ILE 528 Ca 0.16 -2.21 -0.00 0.00 -0.26 0.00 0.00 60.65 58.33 1cul s ILE 528 Cb -0.16 -2.49 0.10 0.00 1.25 0.00 0.00 42.46 41.16 1cul s ILE 528 CO 0.14 -0.38 0.94 0.42 0.24 0.00 0.00 174.94 176.30 1cul s THR 529 N -2.40 2.27 0.20 8.37 -4.23 -1.13 -0.62 115.64 118.10 1cul s THR 529 Ca 0.30 -0.60 -0.07 0.00 -1.18 0.00 0.00 61.69 60.13 1cul s THR 529 Cb -0.06 -2.67 0.09 0.00 1.34 0.00 0.00 72.50 71.21 1cul s THR 529 CO 0.17 0.00 1.69 0.50 -0.54 0.00 0.00 174.62 176.43 1cul h LYS 530 N -0.37 1.03 -0.49 3.99 3.64 -1.78 -1.90 116.57 120.69 1cul h LYS 530 Ca -0.38 -0.30 0.04 0.00 -1.27 0.00 0.00 60.65 58.74 1cul h LYS 530 Cb 1.28 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1cul h LYS 530 CO 0.44 0.99 0.25 0.00 -2.27 0.00 0.00 179.45 178.86 1cul h ALA 531 N 1.08 0.62 -0.15 5.00 0.00 -1.90 -1.19 119.26 122.72 1cul h ALA 531 Ca 0.18 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1cul h ALA 531 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1cul h ALA 531 CO 0.02 -0.10 -0.32 1.15 0.00 0.00 0.00 179.25 180.00 1cul h THR 532 N 0.49 1.28 -0.35 0.00 2.02 -1.79 -2.83 112.91 111.72 1cul h THR 532 Ca 0.21 -1.33 -0.08 0.00 0.77 0.00 0.00 66.41 65.98 1cul h THR 532 Cb 0.11 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1cul h THR 532 CO -0.15 0.40 -0.12 0.25 0.37 0.00 0.00 175.52 176.28 1cul h LEU 533 N 0.26 0.60 -1.20 2.58 5.85 -0.51 -2.59 115.31 120.29 1cul h LEU 533 Ca 0.03 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1cul h LEU 533 Cb 0.70 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1cul h LEU 533 CO 0.05 0.75 0.00 0.77 -0.34 0.00 0.00 178.44 179.67 1cul h SER 534 N 0.56 0.00 0.29 1.25 4.64 -1.00 -2.48 113.55 116.81 1cul h SER 534 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1cul h SER 534 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1cul h SER 534 CO 0.03 0.00 -0.81 -1.22 -0.87 0.00 0.00 176.83 173.96 1cul n TYR 535 N -2.95 0.05 1.42 4.77 4.02 -1.00 -4.13 117.16 119.34 1cul n TYR 535 Ca 0.01 0.02 0.15 0.00 -0.01 0.00 0.00 57.90 58.06 1cul n TYR 535 Cb 0.31 -0.19 0.69 0.00 -0.02 0.00 0.00 39.34 40.13 1cul n TYR 535 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1cul n LEU 536 N -1.60 0.21 -2.07 7.72 4.77 -0.93 -4.70 117.00 120.39 1cul n LEU 536 Ca 0.04 0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 56.09 1cul n LEU 536 Cb 0.36 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1cul n LEU 536 CO 0.39 0.04 -0.11 0.59 -1.33 0.00 0.00 177.39 176.97 1cul n ASN 537 N -1.15 -2.89 -0.98 -1.43 5.03 -1.25 -1.77 115.26 110.81 1cul n ASN 537 Ca 0.14 0.26 -0.09 0.00 0.87 0.00 0.00 54.58 55.76 1cul n ASN 537 Cb 0.26 -2.60 -0.01 0.00 -1.02 0.00 0.00 39.78 36.40 1cul n ASN 537 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cul n GLY 538 N -0.55 0.24 0.17 7.41 0.00 -1.26 -4.94 105.19 106.26 1cul n GLY 538 Ca -0.10 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.53 1cul n GLY 538 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cul n ASP 539 N 0.28 0.77 -4.12 1.61 9.92 -0.73 -4.86 116.55 119.42 1cul n ASP 539 Ca -0.11 -0.68 -0.22 0.00 -0.53 0.00 0.00 54.79 53.25 1cul n ASP 539 Cb 0.52 0.07 -0.15 0.00 -0.64 0.00 0.00 41.12 40.92 1cul n ASP 539 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1cul s TYR 540 N -2.56 1.28 -0.27 1.24 1.51 -1.26 -5.11 117.35 112.17 1cul s TYR 540 Ca 0.24 -0.26 -0.24 0.00 -1.01 0.00 0.00 57.07 55.80 1cul s TYR 540 Cb 0.19 -0.82 -0.00 0.00 -0.11 0.00 0.00 41.96 41.22 1cul s TYR 540 CO 0.53 -0.01 0.83 -1.21 -1.11 0.00 0.00 175.55 174.57 1cul s GLU 541 N -0.44 4.09 0.43 -0.62 2.02 -1.26 -5.01 118.70 117.91 1cul s GLU 541 Ca 0.05 0.81 0.07 0.00 0.02 0.00 0.00 54.97 55.91 1cul s GLU 541 Cb -0.06 -3.68 -0.05 0.00 0.10 0.00 0.00 34.13 30.44 1cul s GLU 541 CO -0.00 -0.60 0.17 0.14 0.02 0.00 0.00 175.26 174.99 1cul s VAL 542 N 2.94 2.17 0.07 2.63 -7.23 -1.26 -0.69 120.40 119.02 1cul s VAL 542 Ca 0.34 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1cul s VAL 542 Cb -0.15 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1cul s VAL 542 CO 0.10 0.00 -0.05 -1.83 -0.31 0.00 0.00 175.10 173.01 1cul s GLU 543 N -3.92 0.66 0.06 4.82 -1.05 -0.25 -4.87 118.70 114.16 1cul s GLU 543 Ca 0.38 -1.16 -0.35 0.00 -0.15 0.00 0.00 54.97 53.69 1cul s GLU 543 Cb 0.04 -0.03 -0.14 0.00 -0.44 0.00 0.00 34.13 33.56 1cul s GLU 543 CO 0.21 -0.05 1.58 -2.30 0.95 0.00 0.00 175.26 175.65 1cul n PRO 544 N 0.34 1.80 0.10 -4.83 -0.02 -1.26 -1.09 135.00 130.04 1cul n PRO 544 Ca -0.15 0.65 -0.20 0.00 -2.02 0.00 0.00 63.50 61.78 1cul n PRO 544 Cb 0.60 -2.39 -0.15 0.00 -0.02 0.00 0.00 33.50 31.54 1cul n PRO 544 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1cul h GLY 545 N 6.20 0.44 -5.42 -1.23 0.00 -1.25 -3.40 103.07 98.41 1cul h GLY 545 Ca -0.46 -1.11 -0.41 0.00 0.00 0.00 0.00 47.33 45.35 1cul h GLY 545 CO 0.87 0.97 -0.66 0.00 0.00 0.00 0.00 176.54 177.73 1cul h GLY 547 N -2.22 0.00 2.00 0.00 0.00 -1.86 -2.49 103.07 98.50 1cul h GLY 547 Ca -0.56 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1cul h GLY 547 CO 0.57 0.00 -0.03 -1.33 0.00 0.00 0.00 176.54 175.75 1cul h GLY 548 N 0.52 0.00 0.32 4.60 0.00 -1.81 -2.26 103.07 104.44 1cul h GLY 548 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cul h GLY 548 CO 0.02 0.00 -0.35 -1.84 0.00 0.00 0.00 176.54 174.37 1cul n GLU 549 N -3.82 0.66 0.00 4.80 0.28 -0.94 -4.09 120.64 117.53 1cul n GLU 549 Ca -0.03 -0.40 0.03 0.00 -0.16 0.00 0.00 57.16 56.60 1cul n GLU 549 Cb 0.12 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.45 1cul n GLU 549 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1cul n ARG 550 N -0.82 4.58 -3.67 3.44 1.74 -0.89 -4.98 116.66 116.05 1cul n ARG 550 Ca 0.10 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.06 1cul n ARG 550 Cb 0.35 -0.85 -0.12 0.00 -1.02 0.00 0.00 32.46 30.82 1cul n ARG 550 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1cul s ASN 551 N -1.68 0.10 0.44 0.55 3.84 -0.96 -4.76 114.94 112.46 1cul s ASN 551 Ca 0.03 0.68 0.14 0.00 0.21 0.00 0.00 52.86 53.91 1cul s ASN 551 Cb 0.06 0.78 1.03 0.00 -0.55 0.00 0.00 41.25 42.57 1cul s ASN 551 CO 0.30 -0.22 2.00 0.00 -2.79 0.00 0.00 177.10 176.38 1cul h ALA 552 N 8.03 2.00 -0.34 1.71 0.00 -1.88 -2.72 119.26 126.06 1cul h ALA 552 Ca -0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1cul h ALA 552 Cb 1.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1cul h ALA 552 CO 0.18 -0.11 0.03 -0.92 0.00 0.00 0.00 179.25 178.43 1cul h TYR 553 N 0.39 0.62 -0.76 0.00 3.20 -1.95 -1.47 116.97 117.01 1cul h TYR 553 Ca 0.25 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1cul h TYR 553 Cb 0.46 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1cul h TYR 553 CO -0.00 0.67 0.31 -0.07 -1.64 0.00 0.00 178.16 177.43 1cul h LEU 554 N 0.40 1.03 0.61 2.82 3.38 -1.79 -2.29 115.31 119.47 1cul h LEU 554 Ca 0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1cul h LEU 554 Cb 0.40 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1cul h LEU 554 CO 0.01 0.91 -0.29 0.50 0.09 0.00 0.00 178.44 179.66 1cul h LYS 555 N 1.10 -0.79 0.00 1.13 3.64 -1.43 0.18 116.57 120.40 1cul h LYS 555 Ca 0.26 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1cul h LYS 555 Cb 0.19 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1cul h LYS 555 CO -0.02 -0.53 0.14 0.39 -2.27 0.00 0.00 179.45 177.16 1cul n GLU 556 N -5.29 0.09 -0.20 1.90 1.02 -0.56 0.27 120.64 117.88 1cul n GLU 556 Ca -0.10 0.56 0.06 0.00 -0.02 0.00 0.00 57.16 57.66 1cul n GLU 556 Cb 0.32 -1.94 0.17 0.00 -0.02 0.00 0.00 31.44 29.96 1cul n GLU 556 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1cul n HIS 557 N -2.01 0.51 -4.07 -0.32 8.25 -0.87 -4.99 115.22 111.73 1cul n HIS 557 Ca -0.01 -0.52 -0.31 0.00 -0.26 0.00 0.00 57.72 56.62 1cul n HIS 557 Cb 0.16 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1cul n HIS 557 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1cul n SER 558 N 0.50 -2.49 -4.68 0.41 7.64 0.14 -4.93 113.62 110.22 1cul n SER 558 Ca 0.13 -0.96 -0.40 0.00 1.01 0.00 0.00 58.87 58.64 1cul n SER 558 Cb 0.46 -3.09 -0.05 0.00 -1.01 0.00 0.00 64.21 60.52 1cul n SER 558 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1cul s ILE 559 N -3.53 5.01 -0.20 0.44 -1.09 0.01 -5.04 121.20 116.81 1cul s ILE 559 Ca 0.46 1.34 -0.25 0.00 -2.23 0.00 0.00 60.65 59.96 1cul s ILE 559 Cb -0.24 -4.00 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1cul s ILE 559 CO 0.89 0.15 0.84 -1.61 -1.23 0.00 0.00 174.94 173.98 1cul s GLU 560 N 1.54 4.26 0.24 2.79 2.02 -1.26 -4.58 118.70 123.70 1cul s GLU 560 Ca 0.33 1.00 0.10 0.00 0.02 0.00 0.00 54.97 56.42 1cul s GLU 560 Cb -0.16 -3.60 -0.04 0.00 0.10 0.00 0.00 34.13 30.42 1cul s GLU 560 CO 0.13 -0.40 -0.10 0.95 0.02 0.00 0.00 175.26 175.86 1cul s THR 561 N 2.42 3.05 -0.01 3.63 -4.23 -1.26 -1.99 115.64 117.25 1cul s THR 561 Ca 0.37 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 58.88 1cul s THR 561 Cb -0.16 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1cul s THR 561 CO 0.10 -0.28 0.07 -0.36 -0.54 0.00 0.00 174.62 173.60 1cul s PHE 562 N -2.14 0.02 -0.18 3.99 0.40 0.21 -0.81 117.98 119.47 1cul s PHE 562 Ca 0.28 -0.03 -0.06 0.00 -0.60 0.00 0.00 56.93 56.53 1cul s PHE 562 Cb -0.07 -0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.39 1cul s PHE 562 CO 0.17 -0.12 0.02 -0.51 0.70 0.00 0.00 175.22 175.47 1cul s LEU 563 N -0.58 3.50 0.14 -0.37 1.43 -0.25 -0.49 118.68 122.06 1cul s LEU 563 Ca -0.06 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 1cul s LEU 563 Cb -0.04 -1.88 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 1cul s LEU 563 CO 0.00 0.14 1.08 -0.63 0.23 0.00 0.00 176.35 177.17 1cul s ILE 564 N 0.57 4.04 -2.05 -0.59 1.01 -0.79 -1.09 121.20 122.30 1cul s ILE 564 Ca 0.00 1.69 0.32 0.00 0.00 0.00 0.00 60.65 62.66 1cul s ILE 564 Cb -0.14 -4.08 0.87 0.00 0.01 0.00 0.00 42.46 39.13 1cul s ILE 564 CO 0.02 0.26 2.18 0.18 0.00 0.00 0.00 174.94 177.57