#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azs n MET 377 N 0.00 0.23 -0.06 -0.67 1.56 -1.26 -4.75 117.12 112.16 1azs n MET 377 Ca 0.00 0.09 -0.07 0.00 -0.27 0.00 0.00 57.70 57.45 1azs n MET 377 Cb 0.00 -0.87 -0.15 0.00 2.15 0.00 0.00 33.22 34.35 1azs n MET 377 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1azs n MET 378 N -3.39 0.67 -4.24 2.12 2.81 -1.26 -4.82 117.12 109.01 1azs n MET 378 Ca -0.06 0.08 -0.35 0.00 -1.81 0.00 0.00 57.70 55.55 1azs n MET 378 Cb 0.22 -1.62 -0.09 0.00 -0.71 0.00 0.00 33.22 31.03 1azs n MET 378 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1azs s PHE 379 N -2.64 3.26 0.42 2.03 0.40 -1.26 -5.08 117.98 115.11 1azs s PHE 379 Ca -0.08 0.24 -0.25 0.00 -0.60 0.00 0.00 56.93 56.24 1azs s PHE 379 Cb 0.07 -1.85 -0.10 0.00 0.51 0.00 0.00 43.02 41.65 1azs s PHE 379 CO 0.83 0.49 1.13 0.72 0.70 0.00 0.00 175.22 179.09 1azs n HIS 380 N 2.27 1.62 -1.69 0.36 8.25 -1.26 -1.31 115.22 123.46 1azs n HIS 380 Ca -0.19 0.54 -0.44 0.00 -0.26 0.00 0.00 57.72 57.37 1azs n HIS 380 Cb 0.54 -2.30 -0.03 0.00 1.12 0.00 0.00 29.99 29.32 1azs n HIS 380 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1azs n LYS 381 N 0.09 2.32 -3.61 -0.41 4.81 -1.26 -4.30 118.16 115.79 1azs n LYS 381 Ca 0.08 0.83 -0.37 0.00 -0.87 0.00 0.00 58.31 57.98 1azs n LYS 381 Cb 0.39 -2.59 -0.06 0.00 0.02 0.00 0.00 35.03 32.79 1azs n LYS 381 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1azs s ILE 382 N 0.62 5.24 -0.93 3.15 -5.25 -1.26 -4.88 121.20 117.89 1azs s ILE 382 Ca 0.74 0.58 -0.02 0.00 -0.99 0.00 0.00 60.65 60.96 1azs s ILE 382 Cb -0.61 -3.60 0.26 0.00 2.95 0.00 0.00 42.46 41.46 1azs s ILE 382 CO 0.41 0.53 1.05 -1.22 -1.79 0.00 0.00 174.94 173.92 1azs n TYR 383 N 2.38 3.57 -3.77 1.37 4.02 -1.26 -4.99 117.16 118.48 1azs n TYR 383 Ca -0.15 -3.59 -0.13 0.00 -0.01 0.00 0.00 57.90 54.02 1azs n TYR 383 Cb 0.53 -1.12 -0.09 0.00 -0.02 0.00 0.00 39.34 38.64 1azs n TYR 383 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1azs s ILE 384 N -2.09 0.05 -0.15 -0.72 1.01 -1.26 -1.48 121.20 116.57 1azs s ILE 384 Ca 0.32 -0.45 -0.18 0.00 0.00 0.00 0.00 60.65 60.34 1azs s ILE 384 Cb 0.01 -0.58 0.05 0.00 0.01 0.00 0.00 42.46 41.95 1azs s ILE 384 CO -0.02 -0.25 0.48 0.00 0.00 0.00 0.00 174.94 175.16 1azs s GLN 385 N -1.19 0.63 0.43 2.79 -2.07 -0.74 -4.96 119.66 114.55 1azs s GLN 385 Ca -0.12 0.53 -0.23 0.00 -1.82 0.00 0.00 55.36 53.71 1azs s GLN 385 Cb -0.05 0.30 -0.09 0.00 -1.09 0.00 0.00 33.01 32.08 1azs s GLN 385 CO 0.04 -0.11 1.06 0.21 -1.32 0.00 0.00 175.29 175.17 1azs s LYS 386 N -0.08 4.03 -0.09 9.60 2.20 -1.26 -2.20 119.74 131.94 1azs s LYS 386 Ca -0.03 1.50 -0.04 0.00 -0.36 0.00 0.00 55.97 57.04 1azs s LYS 386 Cb -0.03 -2.42 0.04 0.00 -1.51 0.00 0.00 37.83 33.91 1azs s LYS 386 CO 0.02 -0.25 0.21 -1.01 -0.36 0.00 0.00 175.35 173.96 1azs s HIS 387 N -1.72 -0.28 0.45 4.03 3.76 -0.63 -4.97 115.29 115.92 1azs s HIS 387 Ca 0.61 0.69 0.08 0.00 -0.15 0.00 0.00 55.06 56.29 1azs s HIS 387 Cb -0.21 -0.01 0.01 0.00 1.11 0.00 0.00 32.58 33.48 1azs s HIS 387 CO 0.26 -0.22 0.55 -0.51 -0.85 0.00 0.00 174.74 173.97 1azs s ASP 388 N 1.33 5.40 -1.32 1.40 1.01 -1.26 -1.00 116.67 122.24 1azs s ASP 388 Ca -0.08 -0.59 -0.04 0.00 0.71 0.00 0.00 52.55 52.55 1azs s ASP 388 Cb -0.11 -0.47 0.02 0.00 1.01 0.00 0.00 42.92 43.37 1azs s ASP 388 CO -0.08 -0.83 0.94 0.59 0.21 0.00 0.00 175.17 176.01 1azs n ASN 389 N -1.83 -3.04 -4.58 0.27 3.02 -1.20 -4.91 115.26 102.99 1azs n ASN 389 Ca 0.08 -0.69 -0.24 0.00 -0.03 0.00 0.00 54.58 53.69 1azs n ASN 389 Cb 0.60 -4.59 -0.09 0.00 -0.61 0.00 0.00 39.78 35.09 1azs n ASN 389 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1azs s VAL 390 N -3.44 2.64 -0.08 2.41 -7.23 -0.69 -4.82 120.40 109.20 1azs s VAL 390 Ca 0.22 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 1azs s VAL 390 Cb -0.10 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.19 1azs s VAL 390 CO 0.77 -0.27 -0.10 -0.44 -0.31 0.00 0.00 175.10 174.75 1azs s SER 391 N -3.65 1.80 -0.22 4.85 0.01 -0.87 -1.41 113.70 114.21 1azs s SER 391 Ca 0.33 -0.28 -0.06 0.00 1.31 0.00 0.00 55.95 57.24 1azs s SER 391 Cb -0.02 -0.79 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 1azs s SER 391 CO 0.18 -0.02 0.04 -0.63 0.41 0.00 0.00 173.24 173.22 1azs s ILE 392 N 0.97 4.22 -0.09 1.44 1.09 0.52 -2.14 121.20 127.21 1azs s ILE 392 Ca -0.09 -0.21 -0.02 0.00 -1.10 0.00 0.00 60.65 59.23 1azs s ILE 392 Cb -0.15 -2.94 -0.03 0.00 -1.06 0.00 0.00 42.46 38.28 1azs s ILE 392 CO 0.00 0.39 -0.01 -0.22 -0.10 0.00 0.00 174.94 175.00 1azs s LEU 393 N 1.25 3.51 -0.02 2.97 0.20 -0.79 -2.16 118.68 123.64 1azs s LEU 393 Ca 0.04 0.10 0.03 0.00 0.69 0.00 0.00 54.13 54.99 1azs s LEU 393 Cb -0.15 -1.81 -0.00 0.00 -0.43 0.00 0.00 46.19 43.81 1azs s LEU 393 CO 0.03 0.35 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.96 1azs s PHE 394 N -0.69 1.07 -0.02 5.38 0.40 0.11 -2.60 117.98 121.62 1azs s PHE 394 Ca 0.11 -0.25 -0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1azs s PHE 394 Cb -0.12 -0.73 0.01 0.00 0.51 0.00 0.00 43.02 42.69 1azs s PHE 394 CO 0.02 -0.07 0.06 0.00 0.70 0.00 0.00 175.22 175.93 1azs s ALA 395 N -0.02 -0.15 0.28 5.36 0.00 -0.24 -1.06 121.76 125.93 1azs s ALA 395 Ca -0.00 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.23 1azs s ALA 395 Cb -0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.88 1azs s ALA 395 CO 0.00 -0.03 -0.11 0.34 0.00 0.00 0.00 175.76 175.96 1azs s ASP 396 N 0.07 3.12 -0.40 0.00 2.15 -0.96 -0.97 116.67 119.68 1azs s ASP 396 Ca -0.00 -1.14 -0.16 0.00 0.43 0.00 0.00 52.55 51.68 1azs s ASP 396 Cb -0.01 -0.23 0.01 0.00 -0.30 0.00 0.00 42.92 42.39 1azs s ASP 396 CO -0.00 -0.21 0.35 -0.63 -0.17 0.00 0.00 175.17 174.50 1azs s ILE 397 N -2.82 5.20 0.06 4.11 1.01 -1.21 -2.12 121.20 125.43 1azs s ILE 397 Ca 0.29 -0.46 -0.31 0.00 0.00 0.00 0.00 60.65 60.17 1azs s ILE 397 Cb 0.01 -3.94 -0.08 0.00 0.01 0.00 0.00 42.46 38.46 1azs s ILE 397 CO 0.13 -0.31 1.64 -0.70 0.00 0.00 0.00 174.94 175.70 1azs s GLU 398 N 1.86 4.20 -0.88 2.79 2.56 0.32 -2.39 118.70 127.17 1azs s GLU 398 Ca 0.08 2.30 0.00 0.00 0.00 0.00 0.00 54.97 57.35 1azs s GLU 398 Cb -0.18 -3.63 0.00 0.00 2.00 0.00 0.00 34.13 32.32 1azs s GLU 398 CO 0.11 -0.73 0.00 0.41 -0.56 0.00 0.00 175.26 174.49 1azs n GLY 399 N 3.99 0.26 0.30 -1.50 0.00 -1.26 -2.17 105.19 104.81 1azs n GLY 399 Ca 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1azs n GLY 399 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1azs h PHE 400 N 0.00 0.70 -0.16 1.61 3.57 -1.81 -2.95 116.94 117.89 1azs h PHE 400 Ca -0.22 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.12 1azs h PHE 400 Cb 1.03 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1azs h PHE 400 CO 0.26 0.55 -0.43 1.15 -2.23 0.00 0.00 178.31 177.61 1azs h THR 401 N 0.70 1.31 -0.02 4.41 2.02 -1.91 -2.09 112.91 117.33 1azs h THR 401 Ca 0.17 -1.60 -0.11 0.00 0.77 0.00 0.00 66.41 65.63 1azs h THR 401 Cb 0.15 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1azs h THR 401 CO -0.02 0.49 -0.51 0.77 0.37 0.00 0.00 175.52 176.62 1azs h SER 402 N 0.32 0.06 -0.31 4.18 4.64 -1.93 -2.40 113.55 118.11 1azs h SER 402 Ca 0.02 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1azs h SER 402 Cb 0.90 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1azs h SER 402 CO 0.07 0.57 -0.07 0.25 -0.87 0.00 0.00 176.83 176.78 1azs h LEU 403 N 0.05 0.61 -2.24 5.97 5.85 -1.35 -2.78 115.31 121.41 1azs h LEU 403 Ca -0.00 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1azs h LEU 403 Cb 0.92 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 1azs h LEU 403 CO 0.07 0.83 -0.04 0.00 -0.34 0.00 0.00 178.44 178.96 1azs h ALA 404 N 0.80 1.12 -0.08 1.25 0.00 -1.16 -2.28 119.26 118.91 1azs h ALA 404 Ca 0.08 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1azs h ALA 404 Cb 0.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1azs h ALA 404 CO 0.03 0.05 -0.74 1.03 0.00 0.00 0.00 179.25 179.62 1azs h SER 405 N 0.00 0.49 0.09 0.00 0.87 -1.15 -3.36 113.55 110.49 1azs h SER 405 Ca -0.00 -0.33 -0.19 0.00 -1.23 0.00 0.00 61.79 60.04 1azs h SER 405 Cb 0.23 -0.15 0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1azs h SER 405 CO 0.00 1.07 -0.81 1.56 -0.53 0.00 0.00 176.83 178.12 1azs h GLN 406 N 0.28 0.39 -6.40 2.24 1.08 -1.30 -3.48 115.11 107.92 1azs h GLN 406 Ca -0.03 -0.54 -0.45 0.00 -1.45 0.00 0.00 58.65 56.17 1azs h GLN 406 Cb 1.32 0.18 0.01 0.00 -0.05 0.00 0.00 27.48 28.94 1azs h GLN 406 CO 0.13 1.21 -0.26 0.00 -0.95 0.00 0.00 178.83 178.96 1azs s THR 408 N -2.44 2.90 0.30 0.00 -4.23 -1.26 -4.88 115.64 106.03 1azs s THR 408 Ca 0.54 0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 61.33 1azs s THR 408 Cb -0.08 -2.74 0.25 0.00 1.34 0.00 0.00 72.50 71.27 1azs s THR 408 CO 0.32 -0.38 1.96 0.00 -0.54 0.00 0.00 174.62 175.99 1azs h ALA 409 N -1.41 1.41 0.07 3.99 0.00 -1.99 -2.51 119.26 118.83 1azs h ALA 409 Ca -0.47 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1azs h ALA 409 Cb 1.26 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1azs h ALA 409 CO 0.52 0.53 -0.03 1.96 0.00 0.00 0.00 179.25 182.23 1azs h GLN 410 N 1.06 -0.09 -0.57 0.00 4.20 -2.00 -3.13 115.11 114.58 1azs h GLN 410 Ca 0.28 0.01 0.15 0.00 0.06 0.00 0.00 58.65 59.15 1azs h GLN 410 Cb -0.09 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1azs h GLN 410 CO -0.06 0.46 0.40 1.49 -0.67 0.00 0.00 178.83 180.45 1azs h GLU 411 N -0.72 0.10 -0.24 1.46 4.81 -1.93 -1.16 114.58 116.89 1azs h GLU 411 Ca -0.01 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1azs h GLU 411 Cb 0.59 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1azs h GLU 411 CO 0.02 0.06 0.07 1.25 -0.73 0.00 0.00 179.01 179.68 1azs h LEU 412 N 0.10 0.36 -1.80 1.64 5.85 -1.45 -2.30 115.31 117.71 1azs h LEU 412 Ca 0.27 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1azs h LEU 412 Cb 0.95 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1azs h LEU 412 CO -0.03 0.48 -0.14 0.58 -0.34 0.00 0.00 178.44 179.00 1azs h VAL 413 N 0.22 0.59 0.21 1.05 2.07 -1.16 -1.35 116.25 117.88 1azs h VAL 413 Ca 0.08 -0.62 -0.34 0.00 0.82 0.00 0.00 66.70 66.64 1azs h VAL 413 Cb 0.26 1.40 0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1azs h VAL 413 CO -0.00 0.14 -1.59 0.24 0.02 0.00 0.00 177.57 176.37 1azs h MET 414 N 0.00 0.44 -0.49 1.57 2.86 -1.30 0.71 114.93 118.72 1azs h MET 414 Ca -0.00 -0.76 -0.04 0.00 -2.06 0.00 0.00 59.70 56.85 1azs h MET 414 Cb 0.39 0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1azs h MET 414 CO 0.02 1.35 0.17 1.15 1.06 0.00 0.00 176.91 180.66 1azs h THR 415 N 0.12 1.22 0.57 2.22 2.02 -1.22 0.80 112.91 118.64 1azs h THR 415 Ca -0.29 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.13 1azs h THR 415 Cb 2.12 0.77 0.01 0.00 -1.74 0.00 0.00 68.15 69.31 1azs h THR 415 CO 0.22 0.27 -0.27 0.25 0.37 0.00 0.00 175.52 176.36 1azs h LEU 416 N 0.66 -0.65 -1.43 2.58 5.85 -1.32 -0.87 115.31 120.13 1azs h LEU 416 Ca 0.16 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.90 1azs h LEU 416 Cb 0.25 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1azs h LEU 416 CO -0.01 -0.32 0.45 -1.13 -0.34 0.00 0.00 178.44 177.10 1azs h ASN 417 N -1.00 0.61 -0.06 1.25 -0.73 -0.82 -1.20 115.58 113.64 1azs h ASN 417 Ca -0.08 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.01 1azs h ASN 417 Cb 0.65 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.12 1azs h ASN 417 CO 0.13 0.40 -0.29 -0.08 -0.37 0.00 0.00 177.43 177.22 1azs h GLU 418 N 0.70 0.30 -0.77 6.67 4.81 -0.80 -2.00 114.58 123.49 1azs h GLU 418 Ca 0.30 -0.24 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1azs h GLU 418 Cb 0.27 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1azs h GLU 418 CO -0.10 0.89 0.48 1.25 -0.73 0.00 0.00 179.01 180.81 1azs h LEU 419 N -0.21 0.79 -0.89 1.64 5.85 -0.65 -1.92 115.31 119.91 1azs h LEU 419 Ca -0.02 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 1azs h LEU 419 Cb 0.94 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1azs h LEU 419 CO 0.06 0.54 -0.54 -0.26 -0.34 0.00 0.00 178.44 177.91 1azs h PHE 420 N 0.94 0.00 -0.41 1.25 0.04 -1.27 -1.33 116.94 116.16 1azs h PHE 420 Ca 0.31 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.01 1azs h PHE 420 Cb 0.03 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 1azs h PHE 420 CO -0.03 0.54 -0.05 0.00 -0.60 0.00 0.00 178.31 178.16 1azs h ALA 421 N 1.46 1.14 -0.20 2.45 0.00 -0.85 -1.94 119.26 121.32 1azs h ALA 421 Ca -0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1azs h ALA 421 Cb 0.98 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1azs h ALA 421 CO 0.07 0.55 -0.10 -0.09 0.00 0.00 0.00 179.25 179.67 1azs h ARG 422 N 0.64 0.42 -0.93 0.00 9.65 -0.92 -3.13 114.38 120.11 1azs h ARG 422 Ca 0.12 -0.19 0.08 0.00 -1.10 0.00 0.00 59.98 58.89 1azs h ARG 422 Cb 0.48 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.99 1azs h ARG 422 CO 0.02 0.72 0.60 0.74 2.80 0.00 0.00 179.97 184.86 1azs h PHE 423 N 0.11 1.07 -0.05 2.20 0.04 -1.07 -1.61 116.94 117.63 1azs h PHE 423 Ca 0.04 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 1azs h PHE 423 Cb 0.60 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 1azs h PHE 423 CO 0.07 0.53 -0.02 -0.44 -0.60 0.00 0.00 178.31 177.85 1azs h ASP 424 N 1.02 0.06 0.26 2.17 5.19 -1.30 -1.35 116.42 122.47 1azs h ASP 424 Ca 0.42 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 1azs h ASP 424 Cb 0.27 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1azs h ASP 424 CO -0.17 0.09 -0.12 0.11 -3.12 0.00 0.00 179.24 176.03 1azs h LYS 425 N 0.07 -0.34 -0.88 3.56 1.57 -1.29 -3.05 116.57 116.22 1azs h LYS 425 Ca 0.02 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.02 1azs h LYS 425 Cb 0.08 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 1azs h LYS 425 CO 0.00 0.02 0.58 -0.07 -0.57 0.00 0.00 179.45 179.41 1azs h LEU 426 N -0.80 0.39 -0.19 2.94 3.38 -1.25 -0.48 115.31 119.30 1azs h LEU 426 Ca -0.04 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1azs h LEU 426 Cb 0.51 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1azs h LEU 426 CO 0.06 0.16 0.12 0.00 0.09 0.00 0.00 178.44 178.87 1azs h ALA 427 N 1.61 0.24 -0.67 1.53 0.00 -1.21 0.29 119.26 121.05 1azs h ALA 427 Ca 0.45 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 1azs h ALA 427 Cb 1.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1azs h ALA 427 CO -0.16 -0.26 0.10 0.00 0.00 0.00 0.00 179.25 178.93 1azs h ALA 428 N 1.04 0.91 0.48 0.00 0.00 -1.01 0.15 119.26 120.84 1azs h ALA 428 Ca 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1azs h ALA 428 Cb 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1azs h ALA 428 CO -0.01 0.67 -0.23 0.93 0.00 0.00 0.00 179.25 180.60 1azs h GLU 429 N 1.03 -0.62 0.00 0.00 5.08 -1.13 -3.14 114.58 115.80 1azs h GLU 429 Ca 0.20 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1azs h GLU 429 Cb 0.45 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1azs h GLU 429 CO 0.01 -0.33 0.00 0.09 -1.00 0.00 0.00 179.01 177.79 1azs n ASN 430 N -5.28 0.00 -0.75 1.42 3.02 0.99 -4.89 115.26 109.77 1azs n ASN 430 Ca -0.11 -0.39 -0.07 0.00 -0.03 0.00 0.00 54.58 53.98 1azs n ASN 430 Cb 0.31 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 1azs n ASN 430 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1azs n HIS 431 N -1.13 -0.27 -3.75 3.10 8.25 -0.10 -4.65 115.22 116.68 1azs n HIS 431 Ca 0.14 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.22 1azs n HIS 431 Cb 0.12 -1.91 -0.06 0.00 1.12 0.00 0.00 29.99 29.26 1azs n HIS 431 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1azs s LEU 433 N -0.92 4.22 0.17 0.00 2.96 -0.29 -4.22 118.68 120.59 1azs s LEU 433 Ca 0.17 0.22 -0.31 0.00 -0.22 0.00 0.00 54.13 54.00 1azs s LEU 433 Cb -0.13 -2.74 -0.09 0.00 0.50 0.00 0.00 46.19 43.74 1azs s LEU 433 CO 0.06 -0.51 1.37 -0.60 -1.32 0.00 0.00 176.35 175.35 1azs s ARG 434 N 2.57 4.34 0.00 1.98 3.00 -1.26 -1.03 118.95 128.55 1azs s ARG 434 Ca 0.23 2.10 0.00 0.00 -1.00 0.00 0.00 55.73 57.06 1azs s ARG 434 Cb -0.15 -3.21 0.00 0.00 0.00 0.00 0.00 34.95 31.59 1azs s ARG 434 CO 0.13 -0.36 0.00 -0.89 0.00 0.00 0.00 175.30 174.18 1azs n ILE 435 N 3.22 0.00 -4.11 4.11 2.08 -0.04 -4.95 119.36 119.67 1azs n ILE 435 Ca 0.09 0.20 -0.10 0.00 0.56 0.00 0.00 62.75 63.50 1azs n ILE 435 Cb 0.42 -1.01 -0.09 0.00 -0.75 0.00 0.00 39.64 38.21 1azs n ILE 435 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1azs s LYS 436 N -0.39 0.99 -0.22 0.38 1.02 -1.17 -4.82 119.74 115.53 1azs s LYS 436 Ca 0.00 -1.40 0.01 0.00 0.02 0.00 0.00 55.97 54.61 1azs s LYS 436 Cb 0.00 0.27 0.04 0.00 -0.52 0.00 0.00 37.83 37.62 1azs s LYS 436 CO 0.00 -0.30 -0.15 0.42 -0.92 0.00 0.00 175.35 174.40 1azs s ILE 437 N -4.04 2.22 -0.59 2.17 1.01 -1.26 -2.80 121.20 117.90 1azs s ILE 437 Ca 0.24 -1.21 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 1azs s ILE 437 Cb 0.07 -2.10 0.15 0.00 0.01 0.00 0.00 42.46 40.59 1azs s ILE 437 CO 0.02 0.28 0.38 -0.76 0.00 0.00 0.00 174.94 174.86 1azs s LEU 438 N 1.22 4.90 0.00 2.97 1.43 0.02 -4.99 118.68 124.24 1azs s LEU 438 Ca -0.01 -2.94 0.00 0.00 -1.03 0.00 0.00 54.13 50.16 1azs s LEU 438 Cb -0.16 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1azs s LEU 438 CO -0.09 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.79 1azs n GLY 439 N 3.32 2.09 1.06 -3.19 0.00 -1.26 -1.56 105.19 105.65 1azs n GLY 439 Ca 0.07 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.17 1azs n GLY 439 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1azs n ASP 440 N 10.30 3.37 -4.56 1.61 5.75 -1.26 -4.92 116.55 126.83 1azs n ASP 440 Ca 0.00 -1.95 -0.40 0.00 -0.01 0.00 0.00 54.79 52.43 1azs n ASP 440 Cb 0.00 -0.28 -0.10 0.00 -1.03 0.00 0.00 41.12 39.71 1azs n ASP 440 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1azs s TYR 442 N 1.86 2.70 -0.11 0.00 6.14 -0.14 -0.80 117.35 127.00 1azs s TYR 442 Ca 0.09 -0.16 -0.16 0.00 0.64 0.00 0.00 57.07 57.48 1azs s TYR 442 Cb -0.17 -1.63 0.04 0.00 0.42 0.00 0.00 41.96 40.63 1azs s TYR 442 CO 0.11 0.19 0.41 1.52 0.64 0.00 0.00 175.55 178.42 1azs s TYR 443 N -0.74 -0.39 0.22 4.97 1.13 -1.12 -1.08 117.35 120.34 1azs s TYR 443 Ca 0.12 0.87 0.03 0.00 -1.41 0.00 0.00 57.07 56.68 1azs s TYR 443 Cb -0.11 0.16 -0.01 0.00 -1.10 0.00 0.00 41.96 40.90 1azs s TYR 443 CO 0.01 -0.30 0.24 0.00 -2.51 0.00 0.00 175.55 172.98 1azs s VAL 445 N -2.80 -0.18 0.12 0.00 0.11 -0.20 -1.89 120.40 115.56 1azs s VAL 445 Ca 0.23 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.19 1azs s VAL 445 Cb 0.01 -0.98 -0.06 0.00 -1.53 0.00 0.00 36.38 33.82 1azs s VAL 445 CO 0.17 0.00 0.45 -0.55 -3.33 0.00 0.00 175.10 171.84 1azs s SER 446 N 1.86 6.67 0.00 3.54 0.15 -0.91 -1.14 113.70 123.87 1azs s SER 446 Ca -0.09 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.41 1azs s SER 446 Cb -0.06 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1azs s SER 446 CO -0.19 0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1azs n GLY 447 N 0.70 0.80 3.26 9.45 0.00 -1.26 -2.05 105.19 116.09 1azs n GLY 447 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 1azs n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1azs s LEU 448 N 0.00 2.30 0.24 0.99 1.43 -1.26 -3.70 118.68 118.68 1azs s LEU 448 Ca 0.00 -0.67 0.05 0.00 -1.03 0.00 0.00 54.13 52.48 1azs s LEU 448 Cb 0.00 -0.80 0.26 0.00 0.03 0.00 0.00 46.19 45.68 1azs s LEU 448 CO 0.00 0.03 1.56 1.55 0.23 0.00 0.00 176.35 179.72 1azs h PRO 449 N 4.11 0.19 -6.28 1.29 0.13 -1.95 -3.39 132.00 126.10 1azs h PRO 449 Ca -0.45 -0.13 -0.65 0.00 -0.87 0.00 0.00 66.00 63.89 1azs h PRO 449 Cb 1.18 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1azs h PRO 449 CO 0.40 0.75 -0.65 -2.00 -0.23 0.00 0.00 178.00 176.26 1azs s GLU 450 N -3.70 2.64 0.25 0.86 2.12 -1.26 -5.08 118.70 114.53 1azs s GLU 450 Ca -0.03 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.23 1azs s GLU 450 Cb 0.12 -2.59 -0.10 0.00 0.26 0.00 0.00 34.13 31.82 1azs s GLU 450 CO 0.79 0.56 1.46 0.00 -0.54 0.00 0.00 175.26 177.54 1azs s ALA 451 N -1.27 3.65 0.05 6.30 0.00 -1.24 -4.53 121.76 124.71 1azs s ALA 451 Ca 0.25 1.36 0.04 0.00 0.00 0.00 0.00 51.96 53.61 1azs s ALA 451 Cb -0.12 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 1azs s ALA 451 CO 0.17 -0.78 -0.12 0.50 0.00 0.00 0.00 175.76 175.53 1azs s ARG 452 N -0.37 0.72 0.05 0.00 3.52 -1.26 -5.04 118.95 116.57 1azs s ARG 452 Ca 0.60 -0.84 -0.16 0.00 -0.13 0.00 0.00 55.73 55.20 1azs s ARG 452 Cb -0.43 -0.65 -0.23 0.00 -1.56 0.00 0.00 34.95 32.08 1azs s ARG 452 CO 0.44 0.14 1.16 0.00 -0.81 0.00 0.00 175.30 176.23 1azs h ALA 453 N 4.50 0.11 0.00 6.12 0.00 -1.96 -3.29 119.26 124.74 1azs h ALA 453 Ca -0.38 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.87 1azs h ALA 453 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1azs h ALA 453 CO 0.41 0.58 0.00 -0.25 0.00 0.00 0.00 179.25 179.99 1azs n ASP 454 N -3.97 0.00 -0.39 0.00 9.92 -1.26 -4.31 116.55 116.54 1azs n ASP 454 Ca -0.11 -0.22 0.33 0.00 -0.53 0.00 0.00 54.79 54.27 1azs n ASP 454 Cb 0.82 -0.06 0.60 0.00 -0.64 0.00 0.00 41.12 41.84 1azs n ASP 454 CO 0.00 0.00 0.00 1.12 0.13 0.00 0.00 177.20 178.45 1azs h HIS 455 N 0.00 0.67 -0.12 1.24 2.07 -1.90 0.48 115.15 117.60 1azs h HIS 455 Ca 0.00 0.03 -0.07 0.00 -2.85 0.00 0.00 60.37 57.48 1azs h HIS 455 Cb 0.02 -0.17 -0.00 0.00 2.57 0.00 0.00 27.41 29.83 1azs h HIS 455 CO 0.00 -0.26 -0.18 0.00 -3.07 0.00 0.00 177.93 174.42 1azs h ALA 456 N 1.74 0.18 -0.45 6.11 0.00 -1.83 -3.18 119.26 121.84 1azs h ALA 456 Ca 0.81 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 1azs h ALA 456 Cb 2.32 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 20.05 1azs h ALA 456 CO -0.54 0.10 0.10 0.45 0.00 0.00 0.00 179.25 179.37 1azs h HIS 457 N -0.08 0.69 0.73 0.00 -0.00 -0.37 -2.66 115.15 113.47 1azs h HIS 457 Ca 0.01 -0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.29 1azs h HIS 457 Cb 0.75 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 1azs h HIS 457 CO 0.10 0.60 -0.38 0.00 -0.00 0.00 0.00 177.93 178.24 1azs h VAL 460 N 0.94 1.15 -0.19 0.00 2.07 -1.35 0.18 116.25 119.05 1azs h VAL 460 Ca 0.45 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1azs h VAL 460 Cb 0.40 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1azs h VAL 460 CO -0.25 0.16 0.11 -0.33 0.02 0.00 0.00 177.57 177.28 1azs h GLU 461 N 0.36 0.22 -0.82 1.57 4.39 0.56 0.11 114.58 120.96 1azs h GLU 461 Ca 0.11 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.90 1azs h GLU 461 Cb 0.12 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.64 1azs h GLU 461 CO -0.01 0.14 0.46 1.98 -1.16 0.00 0.00 179.01 180.42 1azs h MET 462 N 0.22 0.72 -0.40 2.33 4.05 -0.16 -0.96 114.93 120.73 1azs h MET 462 Ca 0.07 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 1azs h MET 462 Cb -0.00 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.62 1azs h MET 462 CO -0.04 0.47 0.06 0.78 0.23 0.00 0.00 176.91 178.42 1azs h GLY 463 N 0.74 0.65 0.93 1.39 0.00 0.81 -0.56 103.07 107.03 1azs h GLY 463 Ca 0.41 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 1azs h GLY 463 CO -0.28 0.34 -0.34 -0.33 0.00 0.00 0.00 176.54 175.94 1azs h MET 464 N 0.59 -0.91 -0.55 4.80 2.07 0.44 -2.85 114.93 118.52 1azs h MET 464 Ca 0.13 0.06 0.08 0.00 -2.07 0.00 0.00 59.70 57.90 1azs h MET 464 Cb 0.28 0.21 -0.06 0.00 -1.87 0.00 0.00 31.60 30.15 1azs h MET 464 CO 0.00 -0.59 0.20 -0.44 1.07 0.00 0.00 176.91 177.16 1azs h ASP 465 N -1.03 0.20 -0.94 1.22 3.32 -0.97 -1.83 116.42 116.38 1azs h ASP 465 Ca -0.10 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.09 1azs h ASP 465 Cb 0.75 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.28 1azs h ASP 465 CO 0.16 0.13 0.61 0.24 -1.72 0.00 0.00 179.24 178.67 1azs h MET 466 N 0.38 1.05 -0.03 3.56 2.86 -1.13 0.15 114.93 121.78 1azs h MET 466 Ca 0.27 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.73 1azs h MET 466 Cb 0.30 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1azs h MET 466 CO -0.27 0.70 -0.54 0.82 1.06 0.00 0.00 176.91 178.68 1azs h ILE 467 N 1.09 1.38 0.01 -1.22 2.04 -1.09 -2.26 117.51 117.45 1azs h ILE 467 Ca 0.41 -1.84 -0.10 0.00 1.00 0.00 0.00 64.86 64.34 1azs h ILE 467 Cb 0.19 1.96 0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1azs h ILE 467 CO -0.16 0.53 -0.38 -0.08 0.00 0.00 0.00 178.15 178.06 1azs h GLU 468 N 0.06 0.24 -0.52 2.37 4.81 -1.08 -3.25 114.58 117.21 1azs h GLU 468 Ca -0.00 -0.27 0.09 0.00 -0.13 0.00 0.00 59.36 59.05 1azs h GLU 468 Cb 0.97 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.36 1azs h GLU 468 CO 0.07 1.01 0.11 0.00 -0.73 0.00 0.00 179.01 179.47 1azs h ALA 469 N 0.24 0.59 -0.29 2.92 0.00 -0.92 -1.68 119.26 120.13 1azs h ALA 469 Ca -0.05 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1azs h ALA 469 Cb 1.15 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1azs h ALA 469 CO 0.07 -0.31 -0.01 0.97 0.00 0.00 0.00 179.25 179.98 1azs h ILE 470 N 0.24 1.18 0.00 0.00 6.09 -1.54 -2.10 117.51 121.38 1azs h ILE 470 Ca 0.26 -0.72 -0.01 0.00 -1.37 0.00 0.00 64.86 63.02 1azs h ILE 470 Cb 0.36 0.98 -0.00 0.00 0.47 0.00 0.00 36.82 38.63 1azs h ILE 470 CO -0.34 0.24 -0.07 0.28 -3.07 0.00 0.00 178.15 175.19 1azs h SER 471 N 0.43 0.00 -0.09 2.19 0.02 -1.35 -1.39 113.55 113.37 1azs h SER 471 Ca 0.09 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 1azs h SER 471 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1azs h SER 471 CO 0.01 0.07 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.31 1azs h LEU 472 N 0.00 0.49 -0.42 5.07 3.38 -1.00 -3.03 115.31 119.80 1azs h LEU 472 Ca -0.00 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1azs h LEU 472 Cb 0.59 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1azs h LEU 472 CO 0.01 1.05 0.00 0.58 0.09 0.00 0.00 178.44 180.17 1azs h VAL 473 N -0.04 0.00 0.00 1.22 2.07 -1.41 -2.50 116.25 115.59 1azs h VAL 473 Ca -0.02 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 1azs h VAL 473 Cb 1.03 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1azs h VAL 473 CO 0.08 0.00 -0.46 -0.09 0.02 0.00 0.00 177.57 177.12 1azs h ARG 474 N 0.00 0.00 0.46 1.57 2.43 -1.19 -2.47 114.38 115.18 1azs h ARG 474 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1azs h ARG 474 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1azs h ARG 474 CO 0.00 0.46 -0.22 0.93 -1.51 0.00 0.00 179.97 179.63 1azs h GLU 475 N 0.00 -0.60 -0.74 0.20 4.39 -1.33 -1.27 114.58 115.23 1azs h GLU 475 Ca -0.00 0.04 0.16 0.00 0.34 0.00 0.00 59.36 59.90 1azs h GLU 475 Cb 0.89 0.14 -0.13 0.00 -0.10 0.00 0.00 28.75 29.55 1azs h GLU 475 CO 0.06 -0.40 -0.08 1.98 -1.16 0.00 0.00 179.01 179.41 1azs h MET 476 N -1.01 0.05 0.08 2.33 4.05 -1.56 -1.09 114.93 117.77 1azs h MET 476 Ca -0.06 -0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 59.10 1azs h MET 476 Cb 0.48 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1azs h MET 476 CO 0.10 0.03 -1.12 1.15 0.23 0.00 0.00 176.91 177.31 1azs h THR 477 N 0.05 1.50 0.00 -0.77 2.02 -1.57 -3.47 112.91 110.67 1azs h THR 477 Ca 0.38 -2.92 0.00 0.00 0.77 0.00 0.00 66.41 64.64 1azs h THR 477 Cb 0.64 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1azs h THR 477 CO -0.70 0.85 0.00 0.61 0.37 0.00 0.00 175.52 176.65 1azs n GLY 478 N 1.32 0.74 3.95 2.16 0.00 -0.42 -5.04 105.19 107.90 1azs n GLY 478 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1azs n GLY 478 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1azs s VAL 479 N -2.80 5.29 -1.24 1.61 0.11 -1.21 -5.01 120.40 117.15 1azs s VAL 479 Ca 0.00 -0.71 -0.15 0.00 -2.93 0.00 0.00 61.98 58.20 1azs s VAL 479 Cb 0.00 -3.77 0.14 0.00 -1.53 0.00 0.00 36.38 31.22 1azs s VAL 479 CO 0.00 -0.17 1.54 0.59 -3.33 0.00 0.00 175.10 173.73 1azs n ASN 480 N -0.79 5.14 -4.73 3.54 3.02 -1.26 -4.71 115.26 115.46 1azs n ASN 480 Ca -0.07 -2.97 -0.27 0.00 -0.03 0.00 0.00 54.58 51.24 1azs n ASN 480 Cb 0.55 -1.61 -0.07 0.00 -0.61 0.00 0.00 39.78 38.04 1azs n ASN 480 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1azs s VAL 481 N 2.20 4.14 0.19 2.41 -7.23 -1.26 -4.60 120.40 116.24 1azs s VAL 481 Ca 0.46 -1.20 -0.22 0.00 -1.81 0.00 0.00 61.98 59.20 1azs s VAL 481 Cb -0.00 -3.08 0.06 0.00 0.56 0.00 0.00 36.38 33.91 1azs s VAL 481 CO 0.02 -0.08 0.63 0.21 -0.31 0.00 0.00 175.10 175.57 1azs s ASN 482 N -2.94 -0.48 0.12 4.85 3.84 -0.92 -4.76 114.94 114.64 1azs s ASN 482 Ca 0.29 -0.16 -0.05 0.00 0.21 0.00 0.00 52.86 53.15 1azs s ASN 482 Cb -0.10 0.63 -0.05 0.00 -0.55 0.00 0.00 41.25 41.18 1azs s ASN 482 CO 0.21 -1.07 0.35 -0.04 -2.79 0.00 0.00 177.10 173.77 1azs s MET 483 N -3.80 3.61 -0.17 0.43 -1.94 -1.26 0.12 119.30 116.29 1azs s MET 483 Ca 0.04 -0.11 0.00 0.00 -1.71 0.00 0.00 55.69 53.91 1azs s MET 483 Cb -0.02 -2.89 0.03 0.00 2.01 0.00 0.00 34.83 33.96 1azs s MET 483 CO -0.08 0.50 -0.11 0.50 -0.01 0.00 0.00 175.02 175.82 1azs s ARG 484 N -2.55 1.98 0.10 2.03 3.52 -0.90 -0.99 118.95 122.15 1azs s ARG 484 Ca 0.39 -0.64 0.04 0.00 -0.13 0.00 0.00 55.73 55.39 1azs s ARG 484 Cb -0.12 -2.17 -0.04 0.00 -1.56 0.00 0.00 34.95 31.06 1azs s ARG 484 CO 0.24 -0.35 0.09 0.08 -0.81 0.00 0.00 175.30 174.56 1azs s VAL 485 N 1.49 4.51 -0.14 7.11 1.01 -1.01 -2.27 120.40 131.09 1azs s VAL 485 Ca 0.02 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 1azs s VAL 485 Cb -0.15 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.07 1azs s VAL 485 CO -0.09 0.06 0.36 -0.83 0.00 0.00 0.00 175.10 174.60 1azs s GLY 486 N -2.60 -0.27 0.03 4.51 0.00 -0.22 -1.81 107.32 106.96 1azs s GLY 486 Ca 0.30 1.24 0.02 0.00 0.00 0.00 0.00 44.72 46.28 1azs s GLY 486 CO 0.22 1.30 -0.07 -0.42 0.00 0.00 0.00 173.10 174.13 1azs s ILE 487 N 0.92 0.52 0.04 0.90 1.01 0.07 -0.72 121.20 123.95 1azs s ILE 487 Ca -0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.58 1azs s ILE 487 Cb -0.07 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.86 1azs s ILE 487 CO -0.07 -0.26 0.26 -2.28 0.00 0.00 0.00 174.94 172.59 1azs s HIS 488 N -1.08 -0.05 0.00 3.97 2.46 -0.92 -3.23 115.29 116.43 1azs s HIS 488 Ca -0.07 -0.10 0.07 0.00 0.47 0.00 0.00 55.06 55.43 1azs s HIS 488 Cb -0.08 0.05 -0.02 0.00 -0.13 0.00 0.00 32.58 32.40 1azs s HIS 488 CO 0.00 -0.46 -0.21 -1.12 -2.47 0.00 0.00 174.74 170.48 1azs s SER 489 N -1.99 2.49 0.00 9.88 0.01 -1.26 -0.36 113.70 122.47 1azs s SER 489 Ca -0.06 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1azs s SER 489 Cb -0.01 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1azs s SER 489 CO -0.03 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1azs n GLY 490 N 2.35 -0.59 3.96 3.44 0.00 -0.50 -4.76 105.19 109.09 1azs n GLY 490 Ca -0.16 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 1azs n GLY 490 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1azs s ARG 491 N -1.21 3.28 0.25 1.61 1.70 -1.26 -1.70 118.95 121.63 1azs s ARG 491 Ca 0.00 -0.63 -0.03 0.00 -0.47 0.00 0.00 55.73 54.60 1azs s ARG 491 Cb 0.00 -2.73 -0.02 0.00 -0.57 0.00 0.00 34.95 31.63 1azs s ARG 491 CO 0.00 0.09 0.29 0.14 -1.08 0.00 0.00 175.30 174.73 1azs s VAL 492 N -2.27 0.00 -0.08 4.99 -7.23 -0.17 -4.56 120.40 111.09 1azs s VAL 492 Ca 0.42 -1.80 0.05 0.00 -1.81 0.00 0.00 61.98 58.84 1azs s VAL 492 Cb -0.10 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 1azs s VAL 492 CO 0.34 0.00 -0.24 -1.00 -0.31 0.00 0.00 175.10 173.88 1azs s HIS 493 N -3.85 2.47 0.13 2.82 3.76 -0.62 -1.61 115.29 118.40 1azs s HIS 493 Ca 0.34 -0.87 0.07 0.00 -0.15 0.00 0.00 55.06 54.46 1azs s HIS 493 Cb 0.03 -1.64 -0.04 0.00 1.11 0.00 0.00 32.58 32.05 1azs s HIS 493 CO 0.15 -0.31 -0.17 0.00 -0.85 0.00 0.00 174.74 173.56 1azs n GLY 495 N 0.61 -0.19 3.09 0.00 0.00 -0.32 -1.78 105.19 106.60 1azs n GLY 495 Ca -0.16 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1azs n GLY 495 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1azs s VAL 496 N -3.66 0.10 0.03 1.61 -7.23 -0.55 -0.78 120.40 109.93 1azs s VAL 496 Ca 0.00 -0.83 0.09 0.00 -1.81 0.00 0.00 61.98 59.42 1azs s VAL 496 Cb 0.00 -0.53 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 1azs s VAL 496 CO 0.00 -0.46 -0.25 -0.76 -0.31 0.00 0.00 175.10 173.32 1azs s LEU 497 N -1.60 2.14 0.00 1.32 1.43 -1.26 -4.33 118.68 116.38 1azs s LEU 497 Ca -0.12 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1azs s LEU 497 Cb -0.06 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.92 1azs s LEU 497 CO -0.00 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.44 1azs n GLY 498 N 1.93 -1.50 0.38 -3.19 0.00 -1.26 -4.75 105.19 96.79 1azs n GLY 498 Ca -0.17 -1.30 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 1azs n GLY 498 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1azs n LEU 499 N 0.00 1.51 -4.92 0.99 4.77 -1.26 -5.01 117.00 113.08 1azs n LEU 499 Ca 0.00 0.20 -0.27 0.00 -0.03 0.00 0.00 56.01 55.90 1azs n LEU 499 Cb 0.00 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 1azs n LEU 499 CO 0.00 0.44 0.10 -0.13 -1.33 0.00 0.00 177.39 176.47 1azs s ARG 500 N -2.35 3.55 -1.34 3.23 1.81 -1.26 -4.55 118.95 118.04 1azs s ARG 500 Ca -0.26 -0.23 -0.03 0.00 -1.72 0.00 0.00 55.73 53.49 1azs s ARG 500 Cb 0.10 -2.75 -0.00 0.00 -0.45 0.00 0.00 34.95 31.85 1azs s ARG 500 CO 0.34 0.31 0.55 1.63 -0.68 0.00 0.00 175.30 177.44 1azs n LYS 501 N -0.90 -3.38 -1.68 3.54 4.76 -1.26 -4.85 118.16 114.39 1azs n LYS 501 Ca -0.04 0.47 -0.46 0.00 -2.87 0.00 0.00 58.31 55.41 1azs n LYS 501 Cb 0.54 -4.63 -0.04 0.00 -1.84 0.00 0.00 35.03 29.06 1azs n LYS 501 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1azs n TRP 502 N -4.33 2.34 -4.21 2.13 7.02 -1.26 -4.99 117.44 114.13 1azs n TRP 502 Ca -0.28 0.11 -0.22 0.00 -1.02 0.00 0.00 57.50 56.10 1azs n TRP 502 Cb 0.67 -2.61 -0.17 0.00 -2.42 0.00 0.00 31.31 26.78 1azs n TRP 502 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1azs s GLN 503 N 2.29 1.07 0.25 -0.99 -0.21 -1.26 -5.11 119.66 115.70 1azs s GLN 503 Ca 0.84 -0.17 -0.30 0.00 0.02 0.00 0.00 55.36 55.75 1azs s GLN 503 Cb -0.66 -1.04 -0.10 0.00 1.00 0.00 0.00 33.01 32.21 1azs s GLN 503 CO 0.43 -0.09 1.49 0.12 -2.12 0.00 0.00 175.29 175.12 1azs s PHE 504 N 1.00 2.95 0.19 0.91 5.36 -1.26 -4.65 117.98 122.48 1azs s PHE 504 Ca -0.09 0.93 -0.08 0.00 -0.96 0.00 0.00 56.93 56.72 1azs s PHE 504 Cb -0.14 -3.90 -0.01 0.00 -0.34 0.00 0.00 43.02 38.63 1azs s PHE 504 CO -0.00 -2.98 0.30 0.34 -1.46 0.00 0.00 175.22 171.42 1azs s ASP 505 N 0.46 0.04 0.02 6.13 -1.08 0.04 -4.69 116.67 117.59 1azs s ASP 505 Ca 0.61 -1.00 0.05 0.00 -0.52 0.00 0.00 52.55 51.69 1azs s ASP 505 Cb -0.44 0.46 -0.02 0.00 -1.46 0.00 0.00 42.92 41.47 1azs s ASP 505 CO 0.43 -0.94 -0.14 0.68 0.52 0.00 0.00 175.17 175.72 1azs s VAL 506 N -4.02 1.10 -0.07 1.11 -7.23 -1.26 -1.17 120.40 108.86 1azs s VAL 506 Ca 0.23 -0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 59.48 1azs s VAL 506 Cb 0.03 -0.97 0.03 0.00 0.56 0.00 0.00 36.38 36.03 1azs s VAL 506 CO 0.05 0.09 0.18 0.26 -0.31 0.00 0.00 175.10 175.37 1azs s TRP 507 N -0.69 -0.21 0.00 2.82 0.51 0.25 -4.96 118.94 116.67 1azs s TRP 507 Ca 0.03 0.53 0.00 0.00 -2.12 0.00 0.00 56.10 54.53 1azs s TRP 507 Cb -0.07 0.02 0.00 0.00 -0.81 0.00 0.00 33.47 32.61 1azs s TRP 507 CO 0.01 -0.14 0.00 -1.13 -0.51 0.00 0.00 176.95 175.18 1azs n SER 508 N 3.60 0.00 0.08 2.95 3.41 -1.26 -1.59 113.62 120.81 1azs n SER 508 Ca -0.19 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.51 1azs n SER 508 Cb 0.56 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 65.06 1azs n SER 508 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1azs h ASN 509 N 0.00 0.22 -0.34 4.04 2.35 -1.99 -1.22 115.58 118.64 1azs h ASN 509 Ca 0.00 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1azs h ASN 509 Cb 0.00 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1azs h ASN 509 CO 0.00 0.15 -0.27 0.44 -1.65 0.00 0.00 177.43 176.10 1azs h ASP 510 N 0.25 0.88 -0.67 5.81 3.32 -1.94 0.49 116.42 124.55 1azs h ASP 510 Ca 0.13 -0.35 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 1azs h ASP 510 Cb 0.21 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1azs h ASP 510 CO -0.03 1.10 0.11 0.58 -1.72 0.00 0.00 179.24 179.28 1azs h VAL 511 N 0.73 1.26 -0.22 -1.35 2.07 -1.56 -1.19 116.25 115.99 1azs h VAL 511 Ca 0.09 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1azs h VAL 511 Cb 0.82 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1azs h VAL 511 CO 0.07 0.39 0.11 0.74 0.02 0.00 0.00 177.57 178.90 1azs h THR 512 N 1.04 1.12 -0.30 2.57 2.02 -0.94 -1.93 112.91 116.48 1azs h THR 512 Ca 0.21 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.08 1azs h THR 512 Cb 0.44 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1azs h THR 512 CO 0.01 0.12 0.14 0.25 0.37 0.00 0.00 175.52 176.41 1azs h LEU 513 N 0.23 0.20 -0.80 2.58 5.85 -0.76 -1.67 115.31 120.94 1azs h LEU 513 Ca 0.08 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.89 1azs h LEU 513 Cb 0.08 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 1azs h LEU 513 CO -0.01 0.16 0.46 0.00 -0.34 0.00 0.00 178.44 178.71 1azs h ALA 514 N 1.16 1.12 -0.58 1.25 0.00 -0.96 0.29 119.26 121.55 1azs h ALA 514 Ca 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1azs h ALA 514 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1azs h ALA 514 CO -0.10 0.13 0.21 -0.97 0.00 0.00 0.00 179.25 178.52 1azs h ASN 515 N 0.81 0.83 0.32 0.00 -0.00 -0.98 -0.86 115.58 115.70 1azs h ASN 515 Ca 0.37 -0.19 -0.05 0.00 -0.00 0.00 0.00 56.30 56.43 1azs h ASN 515 Cb 0.28 -0.22 -0.01 0.00 -0.00 0.00 0.00 38.32 38.38 1azs h ASN 515 CO -0.22 0.79 -0.26 0.45 -0.00 0.00 0.00 177.43 178.20 1azs h HIS 516 N 0.81 0.00 -0.39 0.67 3.86 -0.34 0.16 115.15 119.92 1azs h HIS 516 Ca 0.19 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 1azs h HIS 516 Cb 0.25 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 1azs h HIS 516 CO 0.01 0.26 0.09 0.52 0.86 0.00 0.00 177.93 179.67 1azs h MET 517 N 0.00 0.64 0.03 2.45 2.86 0.57 0.36 114.93 121.83 1azs h MET 517 Ca -0.00 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1azs h MET 517 Cb 0.49 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1azs h MET 517 CO 0.03 0.67 -0.01 1.49 1.06 0.00 0.00 176.91 180.15 1azs h GLU 518 N 0.49 -0.03 -0.72 1.72 4.22 -0.75 -1.44 114.58 118.08 1azs h GLU 518 Ca 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.54 1azs h GLU 518 Cb 0.33 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1azs h GLU 518 CO 0.00 -0.01 0.37 0.00 -2.18 0.00 0.00 179.01 177.19 1azs h ALA 519 N 0.93 0.93 -0.37 2.92 0.00 -0.83 -1.19 119.26 121.66 1azs h ALA 519 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1azs h ALA 519 Cb 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1azs h ALA 519 CO 0.01 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1azs n GLY 520 N -1.02 2.14 0.00 0.00 0.00 0.13 -4.92 105.19 101.51 1azs n GLY 520 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1azs n GLY 520 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1azs n GLY 521 N 0.54 -1.59 2.96 -0.02 0.00 -0.45 -4.77 105.19 101.86 1azs n GLY 521 Ca 0.16 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 1azs n GLY 521 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1azs s LYS 522 N -2.10 0.43 0.30 1.61 2.47 -1.26 -5.07 119.74 116.12 1azs s LYS 522 Ca 0.00 -0.20 -0.29 0.00 -1.56 0.00 0.00 55.97 53.92 1azs s LYS 522 Cb 0.00 -0.41 -0.13 0.00 -1.46 0.00 0.00 37.83 35.83 1azs s LYS 522 CO 0.00 0.11 1.23 0.00 0.16 0.00 0.00 175.35 176.85 1azs n ALA 523 N 2.92 0.76 -1.18 3.13 0.00 -1.26 -2.15 120.51 122.73 1azs n ALA 523 Ca -0.13 0.38 -0.06 0.00 0.00 0.00 0.00 53.44 53.63 1azs n ALA 523 Cb 0.58 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 1azs n ALA 523 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1azs n GLY 524 N 1.18 0.61 3.29 0.00 0.00 -0.16 -4.95 105.19 105.15 1azs n GLY 524 Ca 0.08 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1azs n GLY 524 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1azs s ARG 525 N -2.44 1.14 -0.41 1.61 1.81 -0.91 -5.03 118.95 114.71 1azs s ARG 525 Ca 0.00 -1.26 -0.18 0.00 -1.72 0.00 0.00 55.73 52.57 1azs s ARG 525 Cb 0.00 -1.22 0.02 0.00 -0.45 0.00 0.00 34.95 33.29 1azs s ARG 525 CO 0.00 0.26 0.47 0.42 -0.68 0.00 0.00 175.30 175.77 1azs s ILE 526 N -1.72 5.05 -0.33 1.52 1.01 -1.26 -2.40 121.20 123.06 1azs s ILE 526 Ca 0.10 -0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.38 1azs s ILE 526 Cb -0.07 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 1azs s ILE 526 CO 0.05 -0.41 0.44 -2.28 0.00 0.00 0.00 174.94 172.74 1azs s HIS 527 N 2.24 3.20 0.43 3.97 2.46 -0.75 -2.53 115.29 124.31 1azs s HIS 527 Ca 0.14 0.13 0.06 0.00 0.47 0.00 0.00 55.06 55.87 1azs s HIS 527 Cb -0.16 -2.77 -0.06 0.00 -0.13 0.00 0.00 32.58 29.45 1azs s HIS 527 CO 0.14 -0.45 0.03 0.96 -2.47 0.00 0.00 174.74 172.95 1azs s ILE 528 N 2.20 1.89 0.47 0.89 -4.36 -0.69 -0.75 121.20 120.85 1azs s ILE 528 Ca 0.15 -1.96 0.05 0.00 -0.26 0.00 0.00 60.65 58.63 1azs s ILE 528 Cb -0.16 -2.85 0.05 0.00 1.25 0.00 0.00 42.46 40.74 1azs s ILE 528 CO 0.12 0.00 0.39 0.35 0.24 0.00 0.00 174.94 176.04 1azs n THR 529 N -1.05 0.00 0.16 8.37 -2.24 -1.20 -1.86 114.28 116.46 1azs n THR 529 Ca -0.07 -1.85 -0.15 0.00 -2.27 0.00 0.00 64.05 59.72 1azs n THR 529 Cb 0.67 -0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 1azs n THR 529 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1azs h LYS 530 N 0.00 -0.66 -0.54 -0.78 2.10 -1.89 -2.63 116.57 112.17 1azs h LYS 530 Ca -0.29 0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1azs h LYS 530 Cb 1.09 0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 1azs h LYS 530 CO 0.45 -0.44 0.35 0.00 -2.00 0.00 0.00 179.45 177.82 1azs h ALA 531 N -0.19 1.60 0.00 0.07 0.00 -1.90 -0.72 119.26 118.12 1azs h ALA 531 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1azs h ALA 531 Cb 0.67 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1azs h ALA 531 CO -0.16 0.37 0.00 2.41 0.00 0.00 0.00 179.25 181.87 1azs n THR 532 N -4.45 0.39 -0.02 0.00 -1.04 -1.15 -3.00 114.28 105.01 1azs n THR 532 Ca 0.05 0.09 -0.11 0.00 -2.04 0.00 0.00 64.05 62.04 1azs n THR 532 Cb 0.05 -0.69 -0.14 0.00 -1.82 0.00 0.00 70.33 67.73 1azs n THR 532 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1azs n LEU 533 N -1.53 1.11 0.00 -4.42 7.94 -0.30 -3.45 117.00 116.35 1azs n LEU 533 Ca 0.06 0.35 0.14 0.00 -1.11 0.00 0.00 56.01 55.45 1azs n LEU 533 Cb 0.28 -0.02 0.81 0.00 0.53 0.00 0.00 43.42 45.02 1azs n LEU 533 CO 0.22 0.47 0.99 -1.54 -1.11 0.00 0.00 177.39 176.42 1azs n SER 534 N -3.09 0.00 -0.00 1.96 3.41 -1.06 -2.56 113.62 112.27 1azs n SER 534 Ca -0.20 -0.85 0.03 0.00 -0.26 0.00 0.00 58.87 57.58 1azs n SER 534 Cb 1.06 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 1azs n SER 534 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1azs n TYR 535 N -1.00 0.00 0.77 7.33 4.01 -1.23 -4.53 117.16 122.51 1azs n TYR 535 Ca 0.20 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.07 1azs n TYR 535 Cb 0.10 -0.02 0.26 0.00 -0.31 0.00 0.00 39.34 39.37 1azs n TYR 535 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1azs n LEU 536 N -1.21 0.56 -3.28 7.72 7.94 -1.06 -4.66 117.00 123.01 1azs n LEU 536 Ca 0.01 0.19 -0.22 0.00 -1.11 0.00 0.00 56.01 54.87 1azs n LEU 536 Cb 0.10 -0.25 -0.00 0.00 0.53 0.00 0.00 43.42 43.80 1azs n LEU 536 CO 0.12 0.01 -0.04 0.59 -1.11 0.00 0.00 177.39 176.96 1azs n ASN 537 N -1.83 -3.94 -2.30 1.96 5.03 -1.21 -2.13 115.26 110.83 1azs n ASN 537 Ca 0.05 -0.35 -0.13 0.00 0.87 0.00 0.00 54.58 55.02 1azs n ASN 537 Cb 0.39 -3.25 -0.01 0.00 -1.02 0.00 0.00 39.78 35.88 1azs n ASN 537 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1azs n GLY 538 N -1.19 -0.28 0.21 7.41 0.00 -1.26 -4.83 105.19 105.26 1azs n GLY 538 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1azs n GLY 538 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1azs h ASP 539 N 0.00 0.65 -3.24 1.61 3.32 -1.81 -3.44 116.42 113.52 1azs h ASP 539 Ca -0.30 -0.37 -0.55 0.00 0.02 0.00 0.00 57.03 55.83 1azs h ASP 539 Cb 1.18 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 1azs h ASP 539 CO 0.37 1.10 -0.20 -0.31 -1.72 0.00 0.00 179.24 178.47 1azs s TYR 540 N -3.93 3.46 -0.19 4.55 1.51 -1.26 -5.08 117.35 116.40 1azs s TYR 540 Ca -0.08 0.66 -0.09 0.00 -1.01 0.00 0.00 57.07 56.56 1azs s TYR 540 Cb 0.11 -2.10 -0.05 0.00 -0.11 0.00 0.00 41.96 39.81 1azs s TYR 540 CO 0.85 0.31 0.10 -2.00 -1.11 0.00 0.00 175.55 173.69 1azs s GLU 541 N -3.00 4.09 0.04 -0.62 2.12 -1.26 -5.03 118.70 115.04 1azs s GLU 541 Ca 0.44 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.49 1azs s GLU 541 Cb -0.11 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1azs s GLU 541 CO 0.25 0.29 0.00 1.33 -0.54 0.00 0.00 175.26 176.59 1azs n VAL 542 N 3.52 0.00 -3.82 3.70 0.24 -1.26 -0.44 118.33 120.27 1azs n VAL 542 Ca -0.16 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 61.84 1azs n VAL 542 Cb 0.52 0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 32.89 1azs n VAL 542 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1azs s GLU 543 N -2.16 1.57 0.24 7.34 -1.05 -0.62 -4.83 118.70 119.18 1azs s GLU 543 Ca 0.00 -0.97 -0.31 0.00 -0.15 0.00 0.00 54.97 53.54 1azs s GLU 543 Cb -0.00 0.55 -0.14 0.00 -0.44 0.00 0.00 34.13 34.11 1azs s GLU 543 CO 0.00 -0.69 1.37 -2.30 0.95 0.00 0.00 175.26 174.60 1azs n PRO 544 N -0.40 1.95 -0.06 -4.83 -0.02 -1.26 -1.80 135.00 128.58 1azs n PRO 544 Ca -0.06 0.69 -0.10 0.00 -2.02 0.00 0.00 63.50 62.01 1azs n PRO 544 Cb 0.61 -2.33 -0.15 0.00 -0.02 0.00 0.00 33.50 31.61 1azs n PRO 544 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1azs n GLY 545 N 2.05 -0.94 3.80 -1.23 0.00 0.11 -4.40 105.19 104.58 1azs n GLY 545 Ca 0.11 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1azs n GLY 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1azs h GLY 547 N -2.12 0.00 2.00 0.00 0.00 -1.85 -3.15 103.07 97.95 1azs h GLY 547 Ca -0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1azs h GLY 547 CO 0.62 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.83 1azs h GLY 548 N 3.50 0.00 -1.38 4.60 0.00 -1.82 -2.32 103.07 105.65 1azs h GLY 548 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1azs h GLY 548 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 174.70 1azs n GLU 549 N -2.33 1.61 0.00 4.80 0.28 -1.19 -3.86 120.64 119.95 1azs n GLU 549 Ca 0.00 -1.65 0.03 0.00 -0.16 0.00 0.00 57.16 55.38 1azs n GLU 549 Cb 0.15 -1.31 -0.02 0.00 1.43 0.00 0.00 31.44 31.68 1azs n GLU 549 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1azs n ARG 550 N 0.87 4.58 -3.70 3.44 1.74 -0.90 -5.00 116.66 117.68 1azs n ARG 550 Ca 0.11 -0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 56.98 1azs n ARG 550 Cb 0.41 -0.80 -0.11 0.00 -1.02 0.00 0.00 32.46 30.94 1azs n ARG 550 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1azs s ASN 551 N -1.41 -0.42 0.30 0.55 3.84 -1.02 -4.60 114.94 112.18 1azs s ASN 551 Ca 0.03 0.80 0.00 0.00 0.21 0.00 0.00 52.86 53.90 1azs s ASN 551 Cb 0.04 0.71 0.48 0.00 -0.55 0.00 0.00 41.25 41.94 1azs s ASN 551 CO 0.21 -0.19 1.87 0.00 -2.79 0.00 0.00 177.10 176.21 1azs h ALA 552 N 7.23 1.31 -0.52 1.71 0.00 -1.88 -1.06 119.26 126.05 1azs h ALA 552 Ca -0.36 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 1azs h ALA 552 Cb 1.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1azs h ALA 552 CO 0.30 0.50 0.02 -0.92 0.00 0.00 0.00 179.25 179.16 1azs h TYR 553 N 0.78 0.92 -0.24 0.00 5.03 -1.95 0.16 116.97 121.66 1azs h TYR 553 Ca 0.18 -0.13 -0.17 0.00 2.58 0.00 0.00 58.73 61.19 1azs h TYR 553 Cb 0.21 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.23 1azs h TYR 553 CO 0.01 0.83 -0.53 -0.07 -1.32 0.00 0.00 178.16 177.08 1azs h LEU 554 N 0.81 0.79 0.49 2.82 3.38 -1.73 -1.88 115.31 119.98 1azs h LEU 554 Ca 0.16 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1azs h LEU 554 Cb 0.45 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1azs h LEU 554 CO 0.02 1.17 -0.23 0.50 0.09 0.00 0.00 178.44 179.99 1azs h LYS 555 N 0.55 -0.63 -0.00 1.13 1.63 -0.92 -1.97 116.57 116.36 1azs h LYS 555 Ca 0.02 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1azs h LYS 555 Cb 1.11 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1azs h LYS 555 CO 0.11 -0.42 0.01 0.93 -3.45 0.00 0.00 179.45 176.63 1azs h GLU 556 N -0.71 0.00 -0.45 1.90 5.08 -0.74 -0.22 114.58 119.44 1azs h GLU 556 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1azs h GLU 556 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1azs h GLU 556 CO 0.11 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.84 1azs n HIS 557 N -3.27 0.58 -3.56 4.33 8.25 -0.71 -5.00 115.22 115.85 1azs n HIS 557 Ca -0.03 -0.31 -0.25 0.00 -0.26 0.00 0.00 57.72 56.87 1azs n HIS 557 Cb 0.08 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.24 1azs n HIS 557 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1azs n SER 558 N 1.45 -4.97 -4.62 0.41 7.64 -0.09 -4.96 113.62 108.48 1azs n SER 558 Ca 0.20 -0.90 -0.38 0.00 1.01 0.00 0.00 58.87 58.80 1azs n SER 558 Cb 0.59 -4.02 -0.10 0.00 -1.01 0.00 0.00 64.21 59.67 1azs n SER 558 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1azs s ILE 559 N -3.48 5.29 -0.48 0.44 -1.09 -0.76 -5.04 121.20 116.06 1azs s ILE 559 Ca 0.39 0.30 -0.26 0.00 -2.23 0.00 0.00 60.65 58.85 1azs s ILE 559 Cb -0.11 -3.57 0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1azs s ILE 559 CO 0.82 0.26 0.96 -1.61 -1.23 0.00 0.00 174.94 174.14 1azs s GLU 560 N 1.61 3.51 0.24 2.79 2.02 -1.26 -4.52 118.70 123.09 1azs s GLU 560 Ca 0.10 0.13 0.06 0.00 0.02 0.00 0.00 54.97 55.28 1azs s GLU 560 Cb -0.15 -3.95 -0.03 0.00 0.10 0.00 0.00 34.13 30.09 1azs s GLU 560 CO 0.09 -1.31 0.25 0.95 0.02 0.00 0.00 175.26 175.26 1azs s THR 561 N 3.91 4.74 0.07 3.63 -4.23 -1.26 -2.63 115.64 119.88 1azs s THR 561 Ca 0.37 -1.24 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1azs s THR 561 Cb -0.10 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 1azs s THR 561 CO 0.26 -0.33 0.02 -0.36 -0.54 0.00 0.00 174.62 173.66 1azs s PHE 562 N -2.06 0.55 -0.08 3.99 0.40 -0.78 -0.72 117.98 119.28 1azs s PHE 562 Ca 0.33 -1.05 0.04 0.00 -0.60 0.00 0.00 56.93 55.66 1azs s PHE 562 Cb -0.08 -0.37 -0.00 0.00 0.51 0.00 0.00 43.02 43.08 1azs s PHE 562 CO 0.26 -0.43 -0.22 -0.51 0.70 0.00 0.00 175.22 175.02 1azs s LEU 563 N -2.94 2.02 0.17 -0.37 1.43 -0.74 -1.70 118.68 116.54 1azs s LEU 563 Ca 0.10 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 1azs s LEU 563 Cb 0.07 -1.30 -0.07 0.00 0.03 0.00 0.00 46.19 44.92 1azs s LEU 563 CO -0.08 0.16 1.05 -0.63 0.23 0.00 0.00 176.35 177.09 1azs s ILE 564 N 0.25 4.03 -2.15 -0.59 1.01 -1.05 -1.59 121.20 121.11 1azs s ILE 564 Ca -0.14 1.77 0.31 0.00 0.00 0.00 0.00 60.65 62.58 1azs s ILE 564 Cb -0.16 -4.13 0.80 0.00 0.01 0.00 0.00 42.46 38.98 1azs s ILE 564 CO 0.07 0.31 2.09 0.18 0.00 0.00 0.00 174.94 177.58