#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpq n LEU 390 N 0.00 0.43 -4.31 1.34 4.77 -1.26 -4.96 117.00 113.01 3dpq n LEU 390 Ca 0.00 0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 55.90 3dpq n LEU 390 Cb 0.00 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 3dpq n LEU 390 CO 0.00 -0.04 -0.36 -1.48 -1.33 0.00 0.00 177.39 174.18 3dpq s LEU 391 N -4.61 2.31 -0.27 2.23 -0.00 -1.26 -5.15 118.68 111.93 3dpq s LEU 391 Ca -0.03 -1.15 -0.32 0.00 -0.00 0.00 0.00 54.13 52.64 3dpq s LEU 391 Cb 0.13 -0.32 0.18 0.00 -0.00 0.00 0.00 46.19 46.18 3dpq s LEU 391 CO 0.85 -0.44 1.32 -0.76 -0.00 0.00 0.00 176.35 177.32 3dpq s LEU 392 N -3.27 -0.07 -0.26 1.48 1.43 -1.26 -5.15 118.68 111.58 3dpq s LEU 392 Ca 0.25 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.26 3dpq s LEU 392 Cb 0.04 1.17 -0.04 0.00 0.03 0.00 0.00 46.19 47.39 3dpq s LEU 392 CO 0.06 -0.08 0.33 -1.81 0.23 0.00 0.00 176.35 175.09 3dpq s ASP 393 N -1.34 6.23 0.07 2.29 1.01 -1.26 -5.07 116.67 118.59 3dpq s ASP 393 Ca 0.09 0.26 0.06 0.00 0.71 0.00 0.00 52.55 53.66 3dpq s ASP 393 Cb -0.01 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 3dpq s ASP 393 CO -0.06 -0.13 -0.16 0.68 0.21 0.00 0.00 175.17 175.71 3dpq s VAL 394 N 1.85 1.24 -0.09 -1.27 -7.23 -1.26 -2.05 120.40 111.59 3dpq s VAL 394 Ca 0.14 -1.26 -0.29 0.00 -1.81 0.00 0.00 61.98 58.75 3dpq s VAL 394 Cb -0.16 -1.16 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 3dpq s VAL 394 CO 0.09 -0.11 1.64 0.28 -0.31 0.00 0.00 175.10 176.69 3dpq s THR 395 N -1.12 3.62 -0.01 5.32 -1.32 -0.87 -4.87 115.64 116.40 3dpq s THR 395 Ca 0.01 0.74 0.31 0.00 -1.21 0.00 0.00 61.69 61.54 3dpq s THR 395 Cb -0.09 -3.51 0.33 0.00 -1.51 0.00 0.00 72.50 67.71 3dpq s THR 395 CO 0.02 -0.10 1.93 1.55 -2.21 0.00 0.00 174.62 175.80 3dpq h PRO 396 N 9.81 0.00 -3.71 7.08 0.13 -1.94 0.10 132.00 143.48 3dpq h PRO 396 Ca -0.38 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.64 3dpq h PRO 396 Cb 1.17 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 3dpq h PRO 396 CO 0.96 0.00 -0.44 -0.51 -0.23 0.00 0.00 178.00 177.79 3dpq s LEU 397 N -5.36 1.55 0.32 1.56 1.43 -1.26 -4.38 118.68 112.53 3dpq s LEU 397 Ca 0.00 -0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 52.35 3dpq s LEU 397 Cb 0.09 0.84 -0.15 0.00 0.03 0.00 0.00 46.19 47.01 3dpq s LEU 397 CO 0.40 -0.58 0.54 -1.20 0.23 0.00 0.00 176.35 175.75 3dpq n SER 398 N 0.54 -0.94 -3.81 2.29 7.64 -1.26 -4.05 113.62 114.03 3dpq n SER 398 Ca -0.18 1.02 -0.15 0.00 1.01 0.00 0.00 58.87 60.57 3dpq n SER 398 Cb 0.60 -1.05 -0.16 0.00 -1.01 0.00 0.00 64.21 62.59 3dpq n SER 398 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3dpq s LEU 399 N 2.38 1.33 0.00 -3.43 1.43 -0.74 -2.38 118.68 117.27 3dpq s LEU 399 Ca 0.62 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 3dpq s LEU 399 Cb -0.74 -0.10 0.00 0.00 0.03 0.00 0.00 46.19 45.38 3dpq s LEU 399 CO 0.59 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.69 3dpq n GLY 400 N 3.89 2.65 3.50 -3.19 0.00 -0.89 -0.99 105.19 110.17 3dpq n GLY 400 Ca -0.24 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 3dpq n GLY 400 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dpq s ILE 401 N -2.31 2.32 0.20 -0.61 -4.36 -0.91 -1.24 121.20 114.28 3dpq s ILE 401 Ca 0.00 -2.30 -0.19 0.00 -0.26 0.00 0.00 60.65 57.90 3dpq s ILE 401 Cb 0.00 -2.47 -0.08 0.00 1.25 0.00 0.00 42.46 41.16 3dpq s ILE 401 CO 0.00 -0.31 0.69 -0.70 0.24 0.00 0.00 174.94 174.86 3dpq s GLU 402 N -3.57 4.22 0.39 0.37 2.12 -1.18 0.11 118.70 121.17 3dpq s GLU 402 Ca 0.31 0.81 0.04 0.00 0.36 0.00 0.00 54.97 56.49 3dpq s GLU 402 Cb -0.01 -2.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.43 3dpq s GLU 402 CO 0.15 0.43 0.15 0.95 -0.54 0.00 0.00 175.26 176.41 3dpq s THR 403 N -1.47 0.50 0.18 -1.70 -4.23 -0.46 -4.80 115.64 103.65 3dpq s THR 403 Ca 0.41 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.59 3dpq s THR 403 Cb -0.17 -2.38 -0.15 0.00 1.34 0.00 0.00 72.50 71.15 3dpq s THR 403 CO 0.21 0.00 1.35 0.80 -0.54 0.00 0.00 174.62 176.44 3dpq n MET 404 N -0.85 1.66 0.00 3.99 1.56 -1.26 -0.70 117.12 121.52 3dpq n MET 404 Ca -0.04 0.59 0.00 0.00 -0.27 0.00 0.00 57.70 57.99 3dpq n MET 404 Cb 0.65 -2.22 0.00 0.00 2.15 0.00 0.00 33.22 33.79 3dpq n MET 404 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3dpq n GLY 405 N 2.39 3.39 0.00 -5.12 0.00 -1.26 -4.30 105.19 100.28 3dpq n GLY 405 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3dpq n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dpq n GLY 406 N -1.91 1.76 3.90 -0.02 0.00 0.12 -4.97 105.19 104.06 3dpq n GLY 406 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3dpq n GLY 406 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dpq s VAL 407 N -2.00 4.87 -0.19 1.61 -7.23 -1.15 -0.04 120.40 116.26 3dpq s VAL 407 Ca 0.00 0.34 -0.12 0.00 -1.81 0.00 0.00 61.98 60.40 3dpq s VAL 407 Cb 0.00 -3.82 -0.05 0.00 0.56 0.00 0.00 36.38 33.07 3dpq s VAL 407 CO 0.00 -0.73 0.21 -0.32 -0.31 0.00 0.00 175.10 173.95 3dpq s MET 408 N -4.42 4.19 -0.32 4.82 1.75 0.69 -1.36 119.30 124.65 3dpq s MET 408 Ca 0.49 -0.10 0.03 0.00 -1.25 0.00 0.00 55.69 54.86 3dpq s MET 408 Cb -0.10 -3.45 0.09 0.00 2.84 0.00 0.00 34.83 34.21 3dpq s MET 408 CO 0.40 0.22 0.03 0.99 -0.65 0.00 0.00 175.02 176.01 3dpq s THR 409 N 0.57 2.11 0.38 10.11 2.01 0.12 -4.93 115.64 126.01 3dpq s THR 409 Ca 0.11 -2.14 -0.03 0.00 0.31 0.00 0.00 61.69 59.94 3dpq s THR 409 Cb -0.12 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 3dpq s THR 409 CO 0.02 -0.52 0.64 0.42 -0.69 0.00 0.00 174.62 174.48 3dpq s THR 410 N 1.00 5.00 -0.01 -0.82 -4.23 -1.26 -2.15 115.64 113.18 3dpq s THR 410 Ca 0.08 -0.05 0.03 0.00 -1.18 0.00 0.00 61.69 60.56 3dpq s THR 410 Cb -0.19 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 3dpq s THR 410 CO -0.09 -0.58 0.06 0.18 -0.54 0.00 0.00 174.62 173.65 3dpq n LEU 411 N -1.67 0.00 -3.40 4.79 4.77 -0.16 -4.92 117.00 116.41 3dpq n LEU 411 Ca -0.02 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 3dpq n LEU 411 Cb 0.55 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 3dpq n LEU 411 CO 0.50 0.00 0.02 -0.63 -1.33 0.00 0.00 177.39 175.96 3dpq s ILE 412 N -2.19 -0.72 0.61 -0.08 1.01 -0.92 -4.73 121.20 114.18 3dpq s ILE 412 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 60.65 60.49 3dpq s ILE 412 Cb 0.02 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 3dpq s ILE 412 CO 0.12 -0.05 1.08 0.00 0.00 0.00 0.00 174.94 176.09 3dpq s ALA 413 N 2.64 2.65 0.19 9.38 0.00 -1.26 -1.80 121.76 133.57 3dpq s ALA 413 Ca 0.10 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 3dpq s ALA 413 Cb -0.14 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 3dpq s ALA 413 CO -0.16 -0.96 1.40 -1.59 0.00 0.00 0.00 175.76 174.44 3dpq s LYS 414 N -4.07 4.31 0.00 0.00 -2.85 -1.26 -2.30 119.74 113.58 3dpq s LYS 414 Ca 0.65 2.17 0.00 0.00 -1.00 0.00 0.00 55.97 57.79 3dpq s LYS 414 Cb -0.18 -3.17 0.00 0.00 -2.06 0.00 0.00 37.83 32.42 3dpq s LYS 414 CO 0.38 -0.39 0.00 0.09 0.10 0.00 0.00 175.35 175.53 3dpq n ASN 415 N 2.99 -1.23 -4.77 0.03 5.03 0.35 -4.86 115.26 112.81 3dpq n ASN 415 Ca 0.08 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.14 3dpq n ASN 415 Cb 0.41 -0.21 0.01 0.00 -1.02 0.00 0.00 39.78 38.98 3dpq n ASN 415 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3dpq s THR 416 N -2.55 2.10 0.39 3.41 2.01 -0.97 -4.80 115.64 115.22 3dpq s THR 416 Ca 0.00 0.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.87 3dpq s THR 416 Cb 0.00 -3.05 -0.10 0.00 0.01 0.00 0.00 72.50 69.35 3dpq s THR 416 CO 0.00 0.01 0.92 -0.89 -0.69 0.00 0.00 174.62 173.98 3dpq s THR 417 N -1.20 4.38 0.08 -0.82 2.01 -1.26 -2.05 115.64 116.78 3dpq s THR 417 Ca 0.60 1.52 0.06 0.00 0.31 0.00 0.00 61.69 64.18 3dpq s THR 417 Cb -0.44 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 3dpq s THR 417 CO 0.56 -0.18 -0.16 0.27 -0.69 0.00 0.00 174.62 174.43 3dpq s ILE 418 N -2.00 1.28 0.28 1.82 -4.36 -0.87 -3.74 121.20 113.61 3dpq s ILE 418 Ca 0.58 -1.37 -0.30 0.00 -0.26 0.00 0.00 60.65 59.29 3dpq s ILE 418 Cb -0.12 -1.21 -0.12 0.00 1.25 0.00 0.00 42.46 42.27 3dpq s ILE 418 CO 0.16 -0.18 1.60 -0.81 0.24 0.00 0.00 174.94 175.96 3dpq n PRO 419 N 1.23 2.66 -3.81 0.37 -0.04 -1.26 -4.79 135.00 129.36 3dpq n PRO 419 Ca -0.21 0.95 -0.14 0.00 -0.04 0.00 0.00 63.50 64.06 3dpq n PRO 419 Cb 0.54 -2.73 -0.15 0.00 -0.04 0.00 0.00 33.50 31.12 3dpq n PRO 419 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3dpq s THR 420 N 0.16 -0.04 -0.07 0.52 -1.32 -0.55 -5.00 115.64 109.33 3dpq s THR 420 Ca 0.66 0.13 0.05 0.00 -1.21 0.00 0.00 61.69 61.32 3dpq s THR 420 Cb -0.51 -0.08 -0.00 0.00 -1.51 0.00 0.00 72.50 70.40 3dpq s THR 420 CO 0.46 0.05 -0.23 -0.75 -2.21 0.00 0.00 174.62 171.94 3dpq s LYS 421 N 0.66 2.63 0.01 7.08 2.20 -1.26 -1.35 119.74 129.70 3dpq s LYS 421 Ca -0.05 -0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 54.69 3dpq s LYS 421 Cb -0.08 -2.12 -0.01 0.00 -1.51 0.00 0.00 37.83 34.12 3dpq s LYS 421 CO -0.02 0.27 0.04 -1.01 -0.36 0.00 0.00 175.35 174.27 3dpq s HIS 422 N 0.10 0.13 0.02 4.03 3.76 0.27 -4.99 115.29 118.61 3dpq s HIS 422 Ca -0.10 -0.27 0.02 0.00 -0.15 0.00 0.00 55.06 54.55 3dpq s HIS 422 Cb -0.15 -0.10 -0.02 0.00 1.11 0.00 0.00 32.58 33.42 3dpq s HIS 422 CO 0.06 -0.19 -0.06 -1.12 -0.85 0.00 0.00 174.74 172.57 3dpq s SER 423 N -1.15 0.68 -0.27 1.40 0.01 -1.26 0.11 113.70 113.23 3dpq s SER 423 Ca -0.12 -0.38 -0.12 0.00 1.31 0.00 0.00 55.95 56.64 3dpq s SER 423 Cb -0.07 0.01 0.10 0.00 0.21 0.00 0.00 66.02 66.26 3dpq s SER 423 CO 0.00 -0.12 0.61 -1.10 0.41 0.00 0.00 173.24 173.03 3dpq s GLN 424 N -1.05 0.57 -0.31 12.44 -0.21 0.98 -4.99 119.66 127.09 3dpq s GLN 424 Ca -0.06 1.25 -0.27 0.00 0.02 0.00 0.00 55.36 56.29 3dpq s GLN 424 Cb -0.07 0.45 0.01 0.00 1.00 0.00 0.00 33.01 34.40 3dpq s GLN 424 CO 0.00 -0.19 0.98 0.14 -2.12 0.00 0.00 175.29 174.10 3dpq s VAL 425 N 2.26 4.62 0.25 1.09 -7.23 -1.26 -1.01 120.40 119.12 3dpq s VAL 425 Ca -0.07 1.59 0.06 0.00 -1.81 0.00 0.00 61.98 61.74 3dpq s VAL 425 Cb -0.09 -4.32 -0.03 0.00 0.56 0.00 0.00 36.38 32.50 3dpq s VAL 425 CO -0.18 -0.37 0.31 -0.36 -0.31 0.00 0.00 175.10 174.19 3dpq s PHE 426 N 3.38 3.33 0.00 2.82 0.40 0.23 -4.90 117.98 123.23 3dpq s PHE 426 Ca 0.41 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.68 3dpq s PHE 426 Cb -0.13 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 41.87 3dpq s PHE 426 CO 0.13 0.45 0.00 0.45 0.70 0.00 0.00 175.22 176.96 3dpq n SER 427 N -1.34 1.09 -4.58 1.36 2.88 -1.26 0.37 113.62 112.14 3dpq n SER 427 Ca -0.08 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.12 3dpq n SER 427 Cb 0.57 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.92 3dpq n SER 427 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3dpq s THR 428 N 0.18 3.97 0.16 2.46 -4.23 -1.26 -4.91 115.64 112.00 3dpq s THR 428 Ca 0.00 -0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 60.13 3dpq s THR 428 Cb 0.00 -2.68 -0.14 0.00 1.34 0.00 0.00 72.50 71.02 3dpq s THR 428 CO 0.00 0.56 1.37 0.00 -0.54 0.00 0.00 174.62 176.02 3dpq h ALA 429 N 5.77 0.49 -2.52 3.99 0.00 -1.97 -2.78 119.26 122.24 3dpq h ALA 429 Ca -0.43 -0.66 -0.52 0.00 0.00 0.00 0.00 54.91 53.30 3dpq h ALA 429 Cb 1.18 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 3dpq h ALA 429 CO 0.57 0.80 -0.76 -1.21 0.00 0.00 0.00 179.25 178.65 3dpq s GLU 430 N -3.44 1.40 0.72 0.00 8.01 -1.26 -4.90 118.70 119.23 3dpq s GLU 430 Ca -0.05 -1.56 -0.15 0.00 0.01 0.00 0.00 54.97 53.22 3dpq s GLU 430 Cb 0.10 -1.38 0.03 0.00 -4.31 0.00 0.00 34.13 28.57 3dpq s GLU 430 CO 0.85 0.26 1.17 -0.51 0.01 0.00 0.00 175.26 177.04 3dpq s ASP 431 N -3.09 4.41 -1.33 -0.19 1.01 -1.26 -3.18 116.67 113.04 3dpq s ASP 431 Ca 0.22 2.23 -0.06 0.00 0.71 0.00 0.00 52.55 55.65 3dpq s ASP 431 Cb -0.04 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.35 3dpq s ASP 431 CO 0.09 -2.11 0.41 0.59 0.21 0.00 0.00 175.17 174.36 3dpq n ASN 432 N -2.71 -4.46 -4.69 0.27 4.13 0.13 -4.84 115.26 103.09 3dpq n ASN 432 Ca 0.12 -0.23 -0.42 0.00 1.68 0.00 0.00 54.58 55.73 3dpq n ASN 432 Cb 0.51 -3.68 -0.03 0.00 -1.54 0.00 0.00 39.78 35.05 3dpq n ASN 432 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3dpq s GLN 433 N -5.71 4.42 -0.11 3.52 0.74 -1.19 -4.63 119.66 116.71 3dpq s GLN 433 Ca 0.28 1.41 0.17 0.00 0.05 0.00 0.00 55.36 57.27 3dpq s GLN 433 Cb -0.14 -3.54 -0.25 0.00 1.10 0.00 0.00 33.01 30.18 3dpq s GLN 433 CO 0.35 -0.32 0.22 0.45 -0.55 0.00 0.00 175.29 175.43 3dpq n SER 434 N 5.01 0.74 -3.91 6.67 2.88 -1.26 -4.37 113.62 119.38 3dpq n SER 434 Ca 0.09 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.53 3dpq n SER 434 Cb 0.49 1.34 -0.10 0.00 -0.75 0.00 0.00 64.21 65.19 3dpq n SER 434 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dpq s ALA 435 N -2.81 -0.16 0.23 -1.46 0.00 -1.26 -0.79 121.76 115.50 3dpq s ALA 435 Ca -0.08 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.56 3dpq s ALA 435 Cb 0.08 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 3dpq s ALA 435 CO 0.74 -0.24 -0.02 0.14 0.00 0.00 0.00 175.76 176.38 3dpq s VAL 436 N -1.88 1.11 -0.26 0.00 -7.23 -0.23 -5.01 120.40 106.91 3dpq s VAL 436 Ca -0.11 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.02 3dpq s VAL 436 Cb -0.05 -2.33 0.08 0.00 0.56 0.00 0.00 36.38 34.63 3dpq s VAL 436 CO -0.01 -0.35 0.01 0.28 -0.31 0.00 0.00 175.10 174.72 3dpq s THR 437 N -3.37 1.39 -0.37 5.32 -1.32 -1.26 -1.51 115.64 114.53 3dpq s THR 437 Ca 0.28 -1.37 -0.17 0.00 -1.21 0.00 0.00 61.69 59.22 3dpq s THR 437 Cb 0.05 -1.83 0.00 0.00 -1.51 0.00 0.00 72.50 69.22 3dpq s THR 437 CO 0.09 -0.32 0.46 -0.51 -2.21 0.00 0.00 174.62 172.12 3dpq s ILE 438 N 1.42 5.07 -0.16 5.08 2.07 0.02 -4.93 121.20 129.76 3dpq s ILE 438 Ca 0.01 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 3dpq s ILE 438 Cb -0.18 -3.95 0.00 0.00 0.13 0.00 0.00 42.46 38.46 3dpq s ILE 438 CO -0.11 -0.24 -0.15 -1.38 -1.91 0.00 0.00 174.94 171.14 3dpq s HIS 439 N 2.25 2.79 -0.12 3.50 0.00 -1.26 -1.57 115.29 120.88 3dpq s HIS 439 Ca 0.15 -1.14 -0.21 0.00 -3.00 0.00 0.00 55.06 50.86 3dpq s HIS 439 Cb -0.16 -1.91 -0.03 0.00 -4.00 0.00 0.00 32.58 26.48 3dpq s HIS 439 CO 0.13 -0.54 0.63 0.08 -1.00 0.00 0.00 174.74 174.04 3dpq s VAL 440 N 0.95 5.07 -0.02 -5.38 1.01 0.74 -3.08 120.40 119.69 3dpq s VAL 440 Ca -0.03 1.24 0.04 0.00 0.00 0.00 0.00 61.98 63.24 3dpq s VAL 440 Cb -0.15 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 3dpq s VAL 440 CO -0.02 0.22 -0.15 -0.76 0.00 0.00 0.00 175.10 174.39 3dpq s LEU 441 N 1.16 1.95 -0.14 3.92 1.43 -0.38 -1.18 118.68 125.44 3dpq s LEU 441 Ca 0.32 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3dpq s LEU 441 Cb -0.16 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 3dpq s LEU 441 CO 0.13 0.15 -0.12 -1.58 0.23 0.00 0.00 176.35 175.17 3dpq s GLN 442 N -0.13 3.38 0.00 1.70 0.74 1.66 -2.10 119.66 124.91 3dpq s GLN 442 Ca 0.01 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.74 3dpq s GLN 442 Cb -0.08 -2.67 0.00 0.00 1.10 0.00 0.00 33.01 31.36 3dpq s GLN 442 CO 0.00 0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.32 3dpq n GLY 443 N 3.67 1.67 0.01 2.59 0.00 -1.00 0.43 105.19 112.56 3dpq n GLY 443 Ca -0.18 -1.97 0.06 0.00 0.00 0.00 0.00 46.02 43.93 3dpq n GLY 443 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dpq n GLU 444 N -1.77 0.50 -2.75 1.61 -0.58 -1.26 -4.18 120.64 112.20 3dpq n GLU 444 Ca 0.00 -0.10 -0.41 0.00 -0.42 0.00 0.00 57.16 56.23 3dpq n GLU 444 Cb 0.00 -1.26 -0.04 0.00 -0.57 0.00 0.00 31.44 29.57 3dpq n GLU 444 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3dpq s ARG 445 N -2.77 4.63 0.17 3.49 0.52 -1.26 -4.97 118.95 118.77 3dpq s ARG 445 Ca -0.04 1.40 -0.24 0.00 -0.52 0.00 0.00 55.73 56.33 3dpq s ARG 445 Cb 0.07 -3.41 0.06 0.00 0.52 0.00 0.00 34.95 32.20 3dpq s ARG 445 CO 0.48 0.12 1.57 0.87 0.02 0.00 0.00 175.30 178.37 3dpq h LYS 446 N 6.03 -0.20 -6.25 3.54 1.79 -1.91 -3.41 116.57 116.16 3dpq h LYS 446 Ca -0.42 0.01 -0.55 0.00 -2.18 0.00 0.00 60.65 57.51 3dpq h LYS 446 Cb 1.21 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 3dpq h LYS 446 CO 0.73 -0.13 1.08 1.03 -1.08 0.00 0.00 179.45 181.07 3dpq s ARG 447 N -5.88 4.15 0.25 3.15 0.52 -1.26 -0.23 118.95 119.66 3dpq s ARG 447 Ca -0.14 2.11 -0.09 0.00 -0.52 0.00 0.00 55.73 57.09 3dpq s ARG 447 Cb 0.14 -3.97 0.41 0.00 0.52 0.00 0.00 34.95 32.05 3dpq s ARG 447 CO 0.67 -0.88 1.59 0.00 0.02 0.00 0.00 175.30 176.71 3dpq h ALA 448 N 9.55 0.65 0.00 2.13 0.00 -0.68 0.59 119.26 131.50 3dpq h ALA 448 Ca -0.38 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dpq h ALA 448 Cb 1.17 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3dpq h ALA 448 CO 0.96 -0.42 0.10 0.00 0.00 0.00 0.00 179.25 179.89 3dpq n ALA 449 N -3.29 0.89 0.48 0.00 0.00 -1.26 -0.03 120.51 117.29 3dpq n ALA 449 Ca 0.14 0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.85 3dpq n ALA 449 Cb 0.46 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 3dpq n ALA 449 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dpq n ASP 450 N -2.12 0.56 -4.91 0.00 8.00 0.21 -4.91 116.55 113.38 3dpq n ASP 450 Ca -0.01 -0.22 -0.29 0.00 0.71 0.00 0.00 54.79 54.98 3dpq n ASP 450 Cb 0.13 1.00 -0.04 0.00 -0.02 0.00 0.00 41.12 42.20 3dpq n ASP 450 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3dpq s ASN 451 N -4.04 6.45 0.06 -2.24 0.01 0.96 -4.88 114.94 111.27 3dpq s ASN 451 Ca 0.02 0.60 -0.31 0.00 -0.71 0.00 0.00 52.86 52.46 3dpq s ASN 451 Cb 0.14 -2.09 -0.06 0.00 0.41 0.00 0.00 41.25 39.64 3dpq s ASN 451 CO 0.83 -0.08 1.34 -0.75 -1.51 0.00 0.00 177.10 176.93 3dpq s LYS 452 N -3.22 4.34 0.16 -0.60 2.47 1.47 -4.72 119.74 119.64 3dpq s LYS 452 Ca 0.42 1.95 -0.29 0.00 -1.56 0.00 0.00 55.97 56.49 3dpq s LYS 452 Cb -0.11 -3.39 -0.07 0.00 -1.46 0.00 0.00 37.83 32.80 3dpq s LYS 452 CO 0.28 -0.44 0.92 -1.12 0.16 0.00 0.00 175.35 175.15 3dpq s SER 453 N 1.36 7.53 -0.00 1.43 0.01 -1.26 0.46 113.70 123.23 3dpq s SER 453 Ca 0.63 1.82 0.07 0.00 1.31 0.00 0.00 55.95 59.77 3dpq s SER 453 Cb -0.33 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.24 3dpq s SER 453 CO 0.28 0.06 0.28 0.18 0.41 0.00 0.00 173.24 174.45 3dpq n LEU 454 N 2.15 0.29 0.00 2.44 4.77 -0.32 -4.79 117.00 121.53 3dpq n LEU 454 Ca -0.01 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3dpq n LEU 454 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3dpq n LEU 454 CO 0.50 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3dpq n GLY 455 N 1.27 3.44 3.51 -0.72 0.00 -1.24 -4.94 105.19 106.52 3dpq n GLY 455 Ca 0.01 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 3dpq n GLY 455 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dpq s GLN 456 N -2.35 1.37 -0.08 1.61 -2.07 -1.26 -0.18 119.66 116.70 3dpq s GLN 456 Ca 0.00 -0.90 -0.32 0.00 -1.82 0.00 0.00 55.36 52.32 3dpq s GLN 456 Cb 0.00 0.51 0.12 0.00 -1.09 0.00 0.00 33.01 32.55 3dpq s GLN 456 CO 0.00 -0.58 1.13 -0.59 -1.32 0.00 0.00 175.29 173.93 3dpq s PHE 457 N -3.88 -0.16 0.09 9.60 -0.71 -0.60 -5.01 117.98 117.30 3dpq s PHE 457 Ca 0.10 0.06 0.04 0.00 -1.04 0.00 0.00 56.93 56.09 3dpq s PHE 457 Cb -0.01 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.30 3dpq s PHE 457 CO -0.02 -0.35 0.07 -0.80 -1.34 0.00 0.00 175.22 172.77 3dpq s ASN 458 N -2.47 5.42 -0.21 1.98 0.02 -1.26 -0.80 114.94 117.62 3dpq s ASN 458 Ca 0.10 -0.06 0.01 0.00 -1.02 0.00 0.00 52.86 51.89 3dpq s ASN 458 Cb 0.00 -1.42 0.05 0.00 0.02 0.00 0.00 41.25 39.90 3dpq s ASN 458 CO -0.05 0.16 -0.10 -0.22 0.02 0.00 0.00 177.10 176.91 3dpq s LEU 459 N -2.46 2.40 0.00 0.60 2.96 -0.57 -4.76 118.68 116.85 3dpq s LEU 459 Ca 0.29 -0.96 0.03 0.00 -0.22 0.00 0.00 54.13 53.27 3dpq s LEU 459 Cb -0.12 -1.25 0.03 0.00 0.50 0.00 0.00 46.19 45.35 3dpq s LEU 459 CO 0.21 -0.16 0.25 0.47 -1.32 0.00 0.00 176.35 175.81 3dpq n ASP 460 N 4.66 1.23 0.00 3.68 10.43 -1.26 -1.06 116.55 134.23 3dpq n ASP 460 Ca -0.14 -1.68 0.00 0.00 2.57 0.00 0.00 54.79 55.54 3dpq n ASP 460 Cb 0.46 -0.10 0.00 0.00 1.84 0.00 0.00 41.12 43.32 3dpq n ASP 460 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dpq n GLY 461 N 2.25 1.80 3.66 0.44 0.00 -1.19 -4.91 105.19 107.25 3dpq n GLY 461 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 3dpq n GLY 461 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3dpq n ILE 462 N -2.00 1.57 -1.73 -0.61 3.06 0.03 -4.87 119.36 114.81 3dpq n ILE 462 Ca 0.00 -0.39 -0.42 0.00 -2.50 0.00 0.00 62.75 59.44 3dpq n ILE 462 Cb 0.00 -1.40 -0.02 0.00 0.54 0.00 0.00 39.64 38.76 3dpq n ILE 462 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 3dpq n ASN 463 N 1.41 3.74 -4.71 9.51 4.05 -1.26 -4.42 115.26 123.58 3dpq n ASN 463 Ca 0.09 1.13 -0.43 0.00 0.45 0.00 0.00 54.58 55.81 3dpq n ASN 463 Cb 0.33 -1.57 -0.03 0.00 1.23 0.00 0.00 39.78 39.74 3dpq n ASN 463 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 3dpq n PRO 464 N 2.47 2.51 -3.57 1.20 -0.02 -1.26 -4.69 135.00 131.64 3dpq n PRO 464 Ca 0.10 0.90 -0.08 0.00 -2.02 0.00 0.00 63.50 62.41 3dpq n PRO 464 Cb 0.36 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.11 3dpq n PRO 464 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dpq s ALA 465 N 0.69 -1.95 0.21 3.55 0.00 -1.26 -4.82 121.76 118.18 3dpq s ALA 465 Ca 0.73 1.46 -0.32 0.00 0.00 0.00 0.00 51.96 53.83 3dpq s ALA 465 Cb -0.57 -0.33 -0.14 0.00 0.00 0.00 0.00 23.12 22.08 3dpq s ALA 465 CO 0.39 -0.48 1.36 -2.30 0.00 0.00 0.00 175.76 174.74 3dpq n PRO 466 N 0.24 1.79 -1.50 0.00 -0.01 -1.26 0.17 135.00 134.43 3dpq n PRO 466 Ca -0.06 0.64 -0.49 0.00 -0.01 0.00 0.00 63.50 63.57 3dpq n PRO 466 Cb 0.59 -2.27 -0.04 0.00 -0.01 0.00 0.00 33.50 31.78 3dpq n PRO 466 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 175.50 178.38 3dpq n ARG 467 N 2.13 0.59 0.00 -0.52 1.85 -1.26 -1.10 116.66 118.35 3dpq n ARG 467 Ca 0.13 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 57.19 3dpq n ARG 467 Cb 0.29 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 3dpq n ARG 467 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3dpq n GLY 468 N 1.78 2.30 0.10 2.89 0.00 -1.05 -4.89 105.19 106.33 3dpq n GLY 468 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 3dpq n GLY 468 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3dpq h MET 469 N 2.60 -0.12 -6.50 1.61 4.05 -1.43 -3.45 114.93 111.70 3dpq h MET 469 Ca 0.00 0.01 -0.53 0.00 -0.28 0.00 0.00 59.70 58.90 3dpq h MET 469 Cb 0.00 0.03 0.03 0.00 -0.80 0.00 0.00 31.60 30.86 3dpq h MET 469 CO 0.00 0.41 1.04 -2.14 0.23 0.00 0.00 176.91 176.45 3dpq s PRO 470 N -3.12 4.17 -0.50 0.39 0.02 -1.26 -4.96 135.00 129.74 3dpq s PRO 470 Ca -0.13 2.46 -0.19 0.00 0.02 0.00 0.00 61.00 63.15 3dpq s PRO 470 Cb -0.00 -3.54 0.05 0.00 0.02 0.00 0.00 34.50 31.03 3dpq s PRO 470 CO 0.51 -0.77 0.64 -0.65 -0.33 0.00 0.00 177.00 176.40 3dpq s GLN 471 N 2.51 3.15 -0.48 5.54 -0.21 -1.26 -4.13 119.66 124.78 3dpq s GLN 471 Ca 0.77 -0.79 -0.06 0.00 0.02 0.00 0.00 55.36 55.30 3dpq s GLN 471 Cb -0.43 -4.07 0.13 0.00 1.00 0.00 0.00 33.01 29.63 3dpq s GLN 471 CO 0.34 -1.19 0.32 0.42 -2.12 0.00 0.00 175.29 173.05 3dpq s ILE 472 N 2.70 3.78 -0.33 1.08 1.01 0.16 -1.30 121.20 128.30 3dpq s ILE 472 Ca 0.17 -2.13 -0.29 0.00 0.00 0.00 0.00 60.65 58.39 3dpq s ILE 472 Cb -0.18 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.78 3dpq s ILE 472 CO 0.13 -0.77 1.29 -0.70 0.00 0.00 0.00 174.94 174.89 3dpq s GLU 473 N 0.97 3.85 -0.19 2.79 2.56 -0.02 0.77 118.70 129.45 3dpq s GLU 473 Ca 0.09 1.13 -0.08 0.00 0.00 0.00 0.00 54.97 56.11 3dpq s GLU 473 Cb -0.23 -3.90 -0.04 0.00 2.00 0.00 0.00 34.13 31.96 3dpq s GLU 473 CO -0.03 -1.20 0.08 0.08 -0.56 0.00 0.00 175.26 173.63 3dpq s VAL 474 N 4.50 4.98 -0.08 3.70 1.01 -0.18 -1.06 120.40 133.26 3dpq s VAL 474 Ca 0.56 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.59 3dpq s VAL 474 Cb -0.15 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.99 3dpq s VAL 474 CO 0.25 0.45 -0.13 -0.89 0.00 0.00 0.00 175.10 174.77 3dpq s THR 475 N 0.39 1.29 -0.17 3.92 2.01 -0.16 -0.01 115.64 122.90 3dpq s THR 475 Ca 0.05 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 3dpq s THR 475 Cb -0.12 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 3dpq s THR 475 CO -0.00 0.39 0.02 -0.36 -0.69 0.00 0.00 174.62 173.98 3dpq s PHE 476 N 0.82 3.16 -0.11 4.92 0.40 0.31 -2.26 117.98 125.23 3dpq s PHE 476 Ca -0.11 -0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 3dpq s PHE 476 Cb -0.15 -2.03 0.01 0.00 0.51 0.00 0.00 43.02 41.36 3dpq s PHE 476 CO 0.02 0.09 -0.16 0.34 0.70 0.00 0.00 175.22 176.20 3dpq s ASP 477 N 0.35 2.48 -0.27 1.36 3.68 -0.57 0.97 116.67 124.67 3dpq s ASP 477 Ca 0.00 -0.44 -0.03 0.00 2.13 0.00 0.00 52.55 54.21 3dpq s ASP 477 Cb -0.13 -1.11 0.02 0.00 -1.45 0.00 0.00 42.92 40.25 3dpq s ASP 477 CO 0.01 0.02 -0.02 -0.63 0.13 0.00 0.00 175.17 174.69 3dpq s ILE 478 N 0.95 3.16 0.00 4.11 1.01 -0.46 -0.43 121.20 129.54 3dpq s ILE 478 Ca -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.60 3dpq s ILE 478 Cb -0.15 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.69 3dpq s ILE 478 CO -0.01 0.14 0.00 -0.90 0.00 0.00 0.00 174.94 174.16 3dpq n ASP 479 N 4.71 0.00 -0.04 3.58 5.68 -0.77 -1.49 116.55 128.22 3dpq n ASP 479 Ca -0.16 -0.81 -0.10 0.00 -0.50 0.00 0.00 54.79 53.23 3dpq n ASP 479 Cb 0.47 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.42 3dpq n ASP 479 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dpq h ALA 480 N -1.91 0.25 0.00 2.12 0.00 -1.91 -1.58 119.26 116.23 3dpq h ALA 480 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dpq h ALA 480 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dpq h ALA 480 CO 0.00 -0.30 0.00 -0.25 0.00 0.00 0.00 179.25 178.70 3dpq n ASP 481 N -4.98 0.00 0.00 0.00 8.00 -1.26 -4.77 116.55 113.54 3dpq n ASP 481 Ca -0.03 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.78 3dpq n ASP 481 Cb 0.04 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3dpq n ASP 481 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dpq n GLY 482 N 0.54 0.52 3.72 0.44 0.00 -0.59 -4.79 105.19 105.02 3dpq n GLY 482 Ca 0.18 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3dpq n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dpq s ILE 483 N -2.00 3.55 -0.24 -0.61 1.01 -1.26 -4.19 121.20 117.47 3dpq s ILE 483 Ca 0.00 1.13 -0.04 0.00 0.00 0.00 0.00 60.65 61.73 3dpq s ILE 483 Cb 0.00 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.75 3dpq s ILE 483 CO 0.00 0.10 -0.02 -0.22 0.00 0.00 0.00 174.94 174.80 3dpq s LEU 484 N 0.97 3.11 -0.22 2.97 2.96 -0.58 -1.84 118.68 126.05 3dpq s LEU 484 Ca 0.62 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 3dpq s LEU 484 Cb -0.34 -1.76 0.04 0.00 0.50 0.00 0.00 46.19 44.63 3dpq s LEU 484 CO 0.31 -0.06 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.12 3dpq s HIS 485 N 1.47 3.03 0.08 5.38 3.76 0.43 -0.46 115.29 128.98 3dpq s HIS 485 Ca 0.05 -2.01 0.04 0.00 -0.15 0.00 0.00 55.06 52.99 3dpq s HIS 485 Cb -0.15 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.58 3dpq s HIS 485 CO -0.02 -0.84 0.05 0.08 -0.85 0.00 0.00 174.74 173.15 3dpq s VAL 486 N 1.19 4.34 -0.24 -0.90 1.01 -0.43 -1.52 120.40 123.86 3dpq s VAL 486 Ca -0.03 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 3dpq s VAL 486 Cb -0.17 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 33.20 3dpq s VAL 486 CO -0.09 0.12 0.59 -0.55 0.00 0.00 0.00 175.10 175.18 3dpq s SER 487 N -2.37 -0.78 -0.11 3.32 0.15 -0.96 -0.23 113.70 112.72 3dpq s SER 487 Ca 0.28 1.29 0.03 0.00 0.70 0.00 0.00 55.95 58.25 3dpq s SER 487 Cb -0.12 1.18 -0.00 0.00 -1.71 0.00 0.00 66.02 65.37 3dpq s SER 487 CO 0.21 -0.22 -0.22 0.00 1.20 0.00 0.00 173.24 174.20 3dpq s ALA 488 N 1.44 2.25 -0.08 5.45 0.00 -0.61 -0.99 121.76 129.21 3dpq s ALA 488 Ca -0.09 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3dpq s ALA 488 Cb -0.06 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.18 3dpq s ALA 488 CO -0.16 0.23 -0.12 0.21 0.00 0.00 0.00 175.76 175.92 3dpq s LYS 489 N 0.43 1.75 -0.62 0.00 2.20 -0.23 -2.15 119.74 121.11 3dpq s LYS 489 Ca -0.16 -0.41 -0.28 0.00 -0.36 0.00 0.00 55.97 54.76 3dpq s LYS 489 Cb -0.17 -1.50 0.03 0.00 -1.51 0.00 0.00 37.83 34.68 3dpq s LYS 489 CO 0.07 -0.03 1.25 0.34 -0.36 0.00 0.00 175.35 176.62 3dpq s ASP 490 N 0.86 6.32 0.62 1.43 2.15 -0.50 -0.84 116.67 126.71 3dpq s ASP 490 Ca -0.11 -0.01 0.28 0.00 0.43 0.00 0.00 52.55 53.14 3dpq s ASP 490 Cb -0.15 -2.55 1.53 0.00 -0.30 0.00 0.00 42.92 41.44 3dpq s ASP 490 CO 0.01 -1.62 1.85 0.11 -0.17 0.00 0.00 175.17 175.35 3dpq h LYS 491 N 9.93 0.00 0.00 4.34 1.57 -1.51 0.79 116.57 131.69 3dpq h LYS 491 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3dpq h LYS 491 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3dpq h LYS 491 CO 1.21 0.00 -0.38 -0.97 -0.57 0.00 0.00 179.45 178.74 3dpq h ASN 492 N 0.00 0.00 1.60 0.86 -1.24 -1.91 -3.37 115.58 111.53 3dpq h ASN 492 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 3dpq h ASN 492 Cb 0.62 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 3dpq h ASN 492 CO 0.00 0.62 -0.24 0.28 -1.29 0.00 0.00 177.43 176.80 3dpq h SER 493 N -0.85 0.00 0.00 1.15 0.02 -1.91 -3.46 113.55 108.49 3dpq h SER 493 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dpq h SER 493 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3dpq h SER 493 CO 0.00 0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 3dpq n GLY 494 N 0.98 0.27 3.76 -3.77 0.00 0.27 -4.96 105.19 101.73 3dpq n GLY 494 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3dpq n GLY 494 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpq s LYS 495 N -1.00 4.13 -0.00 1.61 -0.14 -1.23 -4.78 119.74 118.32 3dpq s LYS 495 Ca 0.00 2.56 -0.09 0.00 -1.36 0.00 0.00 55.97 57.08 3dpq s LYS 495 Cb 0.00 -3.02 0.01 0.00 -1.68 0.00 0.00 37.83 33.14 3dpq s LYS 495 CO 0.00 -0.60 0.17 -2.00 -0.76 0.00 0.00 175.35 172.17 3dpq s GLU 496 N -0.82 0.50 0.05 1.68 2.12 -1.26 -1.40 118.70 119.57 3dpq s GLU 496 Ca 0.61 -0.33 -0.01 0.00 0.36 0.00 0.00 54.97 55.60 3dpq s GLU 496 Cb -0.47 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.10 3dpq s GLU 496 CO 0.51 -0.12 -0.02 -1.14 -0.54 0.00 0.00 175.26 173.95 3dpq s GLN 497 N -1.29 0.60 -0.04 4.30 2.00 -0.91 -5.03 119.66 119.29 3dpq s GLN 497 Ca -0.14 -1.16 -0.11 0.00 -2.00 0.00 0.00 55.36 51.95 3dpq s GLN 497 Cb -0.07 0.21 0.02 0.00 0.80 0.00 0.00 33.01 33.97 3dpq s GLN 497 CO 0.02 -0.12 0.26 0.15 -0.50 0.00 0.00 175.29 175.11 3dpq s LYS 498 N -3.74 0.52 -0.03 1.67 1.02 -1.26 -1.57 119.74 116.35 3dpq s LYS 498 Ca 0.05 -0.05 0.07 0.00 0.02 0.00 0.00 55.97 56.06 3dpq s LYS 498 Cb 0.07 0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 37.59 3dpq s LYS 498 CO -0.09 -0.12 -0.24 -1.50 -0.92 0.00 0.00 175.35 172.47 3dpq s ILE 499 N -0.86 1.92 -0.27 2.17 2.07 0.68 -4.99 121.20 121.92 3dpq s ILE 499 Ca -0.09 -1.03 -0.02 0.00 -1.41 0.00 0.00 60.65 58.10 3dpq s ILE 499 Cb -0.05 -1.60 0.03 0.00 0.13 0.00 0.00 42.46 40.97 3dpq s ILE 499 CO 0.02 0.54 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.67 3dpq s THR 500 N -0.44 2.94 -0.06 4.00 2.01 -1.26 -1.31 115.64 121.51 3dpq s THR 500 Ca 0.06 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 60.92 3dpq s THR 500 Cb -0.10 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 3dpq s THR 500 CO 0.00 0.09 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.34 3dpq s ILE 501 N 1.30 3.83 0.32 1.82 1.01 0.39 -5.02 121.20 124.86 3dpq s ILE 501 Ca -0.02 -0.47 -0.26 0.00 0.00 0.00 0.00 60.65 59.90 3dpq s ILE 501 Cb -0.18 -2.59 -0.10 0.00 0.01 0.00 0.00 42.46 39.61 3dpq s ILE 501 CO -0.03 0.57 0.95 -0.54 0.00 0.00 0.00 174.94 175.89 3dpq s LYS 502 N -0.91 4.59 0.60 2.79 1.02 -1.26 -1.53 119.74 125.05 3dpq s LYS 502 Ca 0.13 1.36 0.30 0.00 0.02 0.00 0.00 55.97 57.78 3dpq s LYS 502 Cb -0.11 -2.84 1.68 0.00 -0.52 0.00 0.00 37.83 36.04 3dpq s LYS 502 CO 0.02 0.28 2.07 0.00 -0.92 0.00 0.00 175.35 176.81 3dpq h ALA 503 N 3.25 1.76 0.00 5.17 0.00 -1.87 -1.68 119.26 125.89 3dpq h ALA 503 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3dpq h ALA 503 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3dpq h ALA 503 CO 0.65 -0.33 -0.96 -1.13 0.00 0.00 0.00 179.25 177.48 3dpq n SER 504 N -3.67 0.64 -4.27 0.00 3.41 -1.26 -4.89 113.62 103.58 3dpq n SER 504 Ca 0.02 -0.35 -0.30 0.00 -0.26 0.00 0.00 58.87 57.99 3dpq n SER 504 Cb 0.36 0.77 0.18 0.00 -0.26 0.00 0.00 64.21 65.25 3dpq n SER 504 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dpq s SER 505 N -3.63 2.98 0.00 4.04 1.04 -0.63 -4.90 113.70 112.59 3dpq s SER 505 Ca 0.05 0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.97 3dpq s SER 505 Cb 0.15 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.58 3dpq s SER 505 CO 0.80 -2.84 0.00 0.61 0.98 0.00 0.00 173.24 172.79 3dpq n GLY 506 N -3.02 0.87 3.77 7.32 0.00 -1.26 -4.97 105.19 107.90 3dpq n GLY 506 Ca 0.13 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 3dpq n GLY 506 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dpq s LEU 507 N 0.00 3.88 0.59 0.99 1.43 -1.26 -5.05 118.68 119.26 3dpq s LEU 507 Ca 0.00 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 3dpq s LEU 507 Cb 0.00 -2.20 0.07 0.00 0.03 0.00 0.00 46.19 44.09 3dpq s LEU 507 CO 0.00 0.29 0.81 0.54 0.23 0.00 0.00 176.35 178.23 3dpq s ASN 508 N -1.58 5.02 0.13 2.29 2.20 -1.26 -4.80 114.94 116.93 3dpq s ASN 508 Ca 0.21 -0.38 -0.19 0.00 -0.94 0.00 0.00 52.86 51.56 3dpq s ASN 508 Cb -0.12 -0.31 -0.01 0.00 -2.00 0.00 0.00 41.25 38.80 3dpq s ASN 508 CO 0.12 -1.34 1.71 -0.33 -2.94 0.00 0.00 177.10 174.31 3dpq h GLU 509 N 0.01 0.04 -0.65 3.55 5.08 -2.00 0.85 114.58 121.45 3dpq h GLU 509 Ca -0.37 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.03 3dpq h GLU 509 Cb 1.28 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 3dpq h GLU 509 CO 0.45 0.02 0.43 0.22 -1.00 0.00 0.00 179.01 179.13 3dpq h ASP 510 N 0.04 0.64 1.05 1.42 1.82 -1.99 0.16 116.42 119.55 3dpq h ASP 510 Ca 0.11 -0.01 -0.15 0.00 -0.39 0.00 0.00 57.03 56.59 3dpq h ASP 510 Cb 0.15 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 3dpq h ASP 510 CO -0.20 0.43 -0.71 -0.33 -1.61 0.00 0.00 179.24 176.82 3dpq h GLU 511 N 0.74 0.00 0.00 0.28 5.08 -0.39 -2.62 114.58 117.66 3dpq h GLU 511 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3dpq h GLU 511 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3dpq h GLU 511 CO -0.08 0.71 -0.71 0.82 -1.00 0.00 0.00 179.01 178.75 3dpq h ILE 512 N 0.00 0.00 0.17 3.13 2.04 0.31 -1.28 117.51 121.88 3dpq h ILE 512 Ca -0.01 -0.60 -0.31 0.00 1.00 0.00 0.00 64.86 64.95 3dpq h ILE 512 Cb 1.43 1.15 0.01 0.00 -0.74 0.00 0.00 36.82 38.67 3dpq h ILE 512 CO 0.09 0.00 -1.43 -0.61 0.00 0.00 0.00 178.15 176.20 3dpq h GLN 513 N 0.00 0.36 0.00 2.37 4.15 -0.80 -3.28 115.11 117.91 3dpq h GLN 513 Ca 0.00 -0.61 -0.04 0.00 0.77 0.00 0.00 58.65 58.77 3dpq h GLN 513 Cb 0.80 0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 3dpq h GLN 513 CO 0.00 1.27 -0.19 0.87 -1.93 0.00 0.00 178.83 178.85 3dpq h LYS 514 N 0.10 0.00 -0.31 1.69 1.57 -1.30 -1.56 116.57 116.76 3dpq h LYS 514 Ca -0.21 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 3dpq h LYS 514 Cb 2.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.35 3dpq h LYS 514 CO 0.21 0.18 -0.37 1.98 -0.57 0.00 0.00 179.45 180.89 3dpq h MET 515 N 0.00 0.70 0.03 3.15 4.05 -1.31 -1.10 114.93 120.45 3dpq h MET 515 Ca -0.00 -0.35 -0.25 0.00 -0.28 0.00 0.00 59.70 58.83 3dpq h MET 515 Cb 1.14 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.91 3dpq h MET 515 CO 0.02 0.96 -1.34 0.28 0.23 0.00 0.00 176.91 177.06 3dpq h VAL 516 N 0.58 0.91 -0.44 -5.77 2.07 -1.58 -0.95 116.25 111.07 3dpq h VAL 516 Ca 0.06 -2.22 0.13 0.00 0.82 0.00 0.00 66.70 65.48 3dpq h VAL 516 Cb 0.89 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 3dpq h VAL 516 CO 0.08 0.43 0.34 0.03 0.02 0.00 0.00 177.57 178.47 3dpq h ARG 517 N -0.80 0.00 0.05 1.57 -0.00 -1.39 0.73 114.38 114.54 3dpq h ARG 517 Ca -0.35 0.00 -0.24 0.00 -0.50 0.00 0.00 59.98 58.89 3dpq h ARG 517 Cb 1.43 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.38 3dpq h ARG 517 CO -0.14 0.00 -1.18 -0.44 0.00 0.00 0.00 179.97 178.21 3dpq h ASP 518 N 0.00 0.15 0.32 7.04 5.19 -1.13 -3.20 116.42 124.79 3dpq h ASP 518 Ca 0.21 -0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 3dpq h ASP 518 Cb 0.89 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.36 3dpq h ASP 518 CO -0.00 1.14 -0.15 0.00 -3.12 0.00 0.00 179.24 177.10 3dpq h ALA 519 N 0.84 -0.58 0.00 3.45 0.00 0.57 -2.98 119.26 120.55 3dpq h ALA 519 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3dpq h ALA 519 Cb 1.87 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3dpq h ALA 519 CO 0.15 -0.55 0.00 0.39 0.00 0.00 0.00 179.25 179.24 3dpq n GLU 520 N -4.17 0.16 0.16 0.00 -0.58 -0.86 -1.77 120.64 113.59 3dpq n GLU 520 Ca -0.05 0.42 0.02 0.00 -0.42 0.00 0.00 57.16 57.13 3dpq n GLU 520 Cb 0.17 -1.83 0.23 0.00 -0.57 0.00 0.00 31.44 29.44 3dpq n GLU 520 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dpq h ALA 521 N 2.27 0.95 -0.05 0.62 0.00 -1.53 -2.97 119.26 118.55 3dpq h ALA 521 Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 3dpq h ALA 521 Cb 0.31 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.92 3dpq h ALA 521 CO 0.00 0.64 -0.62 0.09 0.00 0.00 0.00 179.25 179.36 3dpq n ASN 522 N -3.64 1.76 0.00 0.00 3.02 -0.73 -4.85 115.26 110.82 3dpq n ASN 522 Ca -0.01 -3.53 0.00 0.00 -0.03 0.00 0.00 54.58 51.02 3dpq n ASN 522 Cb 0.58 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 3dpq n ASN 522 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dpq n ALA 523 N -0.80 0.00 -0.32 5.41 0.00 -0.76 -0.50 120.51 123.54 3dpq n ALA 523 Ca 0.18 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.78 3dpq n ALA 523 Cb 0.79 0.14 0.32 0.00 0.00 0.00 0.00 19.45 20.70 3dpq n ALA 523 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3dpq n GLU 524 N -0.66 -0.07 -0.32 0.00 2.13 -1.26 0.11 120.64 120.58 3dpq n GLU 524 Ca 0.00 1.40 0.14 0.00 0.66 0.00 0.00 57.16 59.35 3dpq n GLU 524 Cb 0.00 -2.26 0.32 0.00 0.27 0.00 0.00 31.44 29.77 3dpq n GLU 524 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3dpq h ALA 525 N 1.89 1.52 0.00 4.31 0.00 -1.75 -1.88 119.26 123.34 3dpq h ALA 525 Ca 0.60 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.65 3dpq h ALA 525 Cb 1.31 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3dpq h ALA 525 CO -0.87 -0.27 -1.66 -0.25 0.00 0.00 0.00 179.25 176.20 3dpq n ASP 526 N -4.97 0.28 0.00 0.00 8.00 0.12 -3.12 116.55 116.87 3dpq n ASP 526 Ca 0.23 0.02 0.13 0.00 0.71 0.00 0.00 54.79 55.87 3dpq n ASP 526 Cb 0.65 1.52 0.61 0.00 -0.02 0.00 0.00 41.12 43.87 3dpq n ASP 526 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3dpq n ARG 527 N -2.30 0.20 -0.02 -1.24 1.85 -0.75 -2.34 116.66 112.05 3dpq n ARG 527 Ca -0.02 0.05 -0.22 0.00 -1.00 0.00 0.00 57.85 56.66 3dpq n ARG 527 Cb 0.55 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.32 3dpq n ARG 527 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3dpq h LYS 528 N 0.00 0.19 0.00 2.89 1.79 -1.39 -3.28 116.57 116.77 3dpq h LYS 528 Ca 0.00 -0.33 -0.00 0.00 -2.18 0.00 0.00 60.65 58.13 3dpq h LYS 528 Cb 0.34 0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3dpq h LYS 528 CO 0.00 1.16 -0.02 0.35 -1.08 0.00 0.00 179.45 179.86 3dpq h PHE 529 N -0.30 0.00 0.55 -1.35 3.57 -1.56 -2.61 116.94 115.23 3dpq h PHE 529 Ca -0.38 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.09 3dpq h PHE 529 Cb 1.78 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.53 3dpq h PHE 529 CO 0.09 0.02 -0.26 0.93 -2.23 0.00 0.00 178.31 176.86 3dpq h GLU 530 N 0.00 -0.71 0.00 1.11 5.08 -1.54 -1.61 114.58 116.92 3dpq h GLU 530 Ca -0.00 0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3dpq h GLU 530 Cb 0.51 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3dpq h GLU 530 CO 0.00 -0.41 -0.45 0.93 -1.00 0.00 0.00 179.01 178.08 3dpq h GLU 531 N -0.90 0.00 0.55 2.33 5.08 -1.61 -2.47 114.58 117.56 3dpq h GLU 531 Ca -0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3dpq h GLU 531 Cb 0.62 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.88 3dpq h GLU 531 CO 0.12 0.45 -0.26 1.25 -1.00 0.00 0.00 179.01 179.57 3dpq h LEU 532 N 0.00 -0.62 -2.45 1.33 5.85 -1.41 -1.23 115.31 116.78 3dpq h LEU 532 Ca -0.00 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3dpq h LEU 532 Cb 1.29 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.48 3dpq h LEU 532 CO 0.06 -0.43 0.06 0.58 -0.34 0.00 0.00 178.44 178.37 3dpq h VAL 533 N -0.77 0.45 -0.87 1.05 2.07 -1.33 0.54 116.25 117.39 3dpq h VAL 533 Ca -0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3dpq h VAL 533 Cb 0.56 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3dpq h VAL 533 CO 0.12 0.00 0.57 -0.61 0.02 0.00 0.00 177.57 177.67 3dpq h GLN 534 N 0.00 1.16 0.10 1.57 4.15 -0.95 -1.09 115.11 120.04 3dpq h GLN 534 Ca 0.02 -0.08 -0.32 0.00 0.77 0.00 0.00 58.65 59.05 3dpq h GLN 534 Cb 0.14 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 3dpq h GLN 534 CO -0.00 0.77 -1.70 1.15 -1.93 0.00 0.00 178.83 177.13 3dpq h THR 535 N 1.19 0.94 0.12 2.39 2.02 0.12 -2.36 112.91 117.33 3dpq h THR 535 Ca 0.32 -2.65 -0.00 0.00 0.77 0.00 0.00 66.41 64.85 3dpq h THR 535 Cb -0.12 2.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.90 3dpq h THR 535 CO -0.07 0.77 -0.09 0.03 0.37 0.00 0.00 175.52 176.54 3dpq h ARG 536 N 0.06 -0.20 -0.74 6.66 3.08 -0.82 0.12 114.38 122.53 3dpq h ARG 536 Ca -0.30 0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.82 3dpq h ARG 536 Cb 2.02 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 32.07 3dpq h ARG 536 CO 0.12 -0.14 0.49 -0.91 -1.07 0.00 0.00 179.97 178.47 3dpq h ASN 537 N -0.21 0.71 -0.27 7.04 2.35 -1.19 0.82 115.58 124.83 3dpq h ASN 537 Ca -0.01 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3dpq h ASN 537 Cb 0.18 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3dpq h ASN 537 CO 0.00 0.47 -0.05 1.56 -1.65 0.00 0.00 177.43 177.76 3dpq h GLN 538 N 0.81 0.51 0.00 0.81 4.20 -0.97 -2.30 115.11 118.17 3dpq h GLN 538 Ca 0.32 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 3dpq h GLN 538 Cb 0.21 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3dpq h GLN 538 CO -0.10 0.71 -0.32 0.78 -0.67 0.00 0.00 178.83 179.22 3dpq h GLY 539 N 0.27 0.00 1.17 3.46 0.00 0.17 -2.87 103.07 105.27 3dpq h GLY 539 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.23 3dpq h GLY 539 CO 0.02 0.00 -0.45 -1.80 0.00 0.00 0.00 176.54 174.31 3dpq h ASP 540 N 0.00 0.97 0.56 0.19 3.58 0.61 0.17 116.42 122.50 3dpq h ASP 540 Ca -0.00 -0.47 -0.10 0.00 0.42 0.00 0.00 57.03 56.87 3dpq h ASP 540 Cb 1.10 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 3dpq h ASP 540 CO 0.04 1.27 -0.50 0.45 -2.88 0.00 0.00 179.24 177.62 3dpq h HIS 541 N 0.71 0.00 0.02 0.28 3.86 -1.20 -1.83 115.15 116.99 3dpq h HIS 541 Ca 0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3dpq h HIS 541 Cb 1.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.52 3dpq h HIS 541 CO 0.06 0.50 -0.01 1.25 0.86 0.00 0.00 177.93 180.59 3dpq h LEU 542 N 0.00 -0.02 -0.04 2.43 5.85 -1.36 1.34 115.31 123.51 3dpq h LEU 542 Ca -0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3dpq h LEU 542 Cb 0.91 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3dpq h LEU 542 CO 0.06 0.12 -0.00 -0.11 -0.34 0.00 0.00 178.44 178.18 3dpq n LEU 543 N -2.83 -0.01 0.01 2.25 0.00 0.58 0.33 117.00 117.35 3dpq n LEU 543 Ca -0.00 0.06 -0.18 0.00 0.00 0.00 0.00 56.01 55.89 3dpq n LEU 543 Cb 0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 43.42 43.27 3dpq n LEU 543 CO 0.01 -0.06 0.19 0.45 0.00 0.00 0.00 177.39 177.98 3dpq h HIS 544 N 0.00 0.40 -0.01 1.96 3.86 -1.20 -3.15 115.15 117.01 3dpq h HIS 544 Ca 0.02 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 3dpq h HIS 544 Cb 0.04 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3dpq h HIS 544 CO -0.02 1.17 -0.14 0.45 0.86 0.00 0.00 177.93 180.26 3dpq n SER 545 N -4.29 1.18 -0.09 2.45 2.88 1.01 -3.20 113.62 113.56 3dpq n SER 545 Ca -0.12 -1.13 -0.21 0.00 -1.33 0.00 0.00 58.87 56.09 3dpq n SER 545 Cb 0.69 0.06 -0.12 0.00 -0.75 0.00 0.00 64.21 64.09 3dpq n SER 545 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3dpq n THR 546 N -0.32 1.58 0.17 2.46 -1.04 0.28 -4.47 114.28 112.93 3dpq n THR 546 Ca 0.15 -0.54 0.08 0.00 -2.04 0.00 0.00 64.05 61.70 3dpq n THR 546 Cb 0.34 -1.59 0.42 0.00 -1.82 0.00 0.00 70.33 67.68 3dpq n THR 546 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3dpq h ARG 547 N -0.16 0.00 0.00 -2.82 3.08 -1.51 0.37 114.38 113.35 3dpq h ARG 547 Ca -0.54 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.48 3dpq h ARG 547 Cb 1.87 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.87 3dpq h ARG 547 CO -0.09 0.00 -0.37 0.36 -1.07 0.00 0.00 179.97 178.80 3dpq n LYS 548 N -2.12 1.01 -0.07 0.04 -0.00 -1.26 -4.31 118.16 111.45 3dpq n LYS 548 Ca -0.01 -2.48 0.04 0.00 -0.00 0.00 0.00 58.31 55.86 3dpq n LYS 548 Cb 0.27 -1.18 0.08 0.00 -0.00 0.00 0.00 35.03 34.20 3dpq n LYS 548 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3dpq n GLN 549 N -0.86 1.71 -3.31 -1.58 6.02 0.13 -5.12 117.38 114.37 3dpq n GLN 549 Ca 0.13 -1.50 -0.15 0.00 -0.01 0.00 0.00 57.00 55.47 3dpq n GLN 549 Cb 0.73 -1.17 -0.04 0.00 1.02 0.00 0.00 30.24 30.78 3dpq n GLN 549 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3dpq n VAL 550 N 0.31 0.00 -2.04 5.09 0.31 -1.25 -4.98 118.33 115.77 3dpq n VAL 550 Ca 0.07 -1.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.18 3dpq n VAL 550 Cb 0.30 0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 3dpq n VAL 550 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3dpq n ASP 560 N -1.41 -7.99 0.00 4.52 3.85 -1.26 -5.07 116.55 109.19 3dpq n ASP 560 Ca -0.08 1.45 0.00 0.00 -0.71 0.00 0.00 54.79 55.45 3dpq n ASP 560 Cb 0.32 -4.34 0.00 0.00 -1.35 0.00 0.00 41.12 35.75 3dpq n ASP 560 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3dpq n ASP 561 N 1.46 0.00 -0.07 -1.12 9.92 -1.26 0.54 116.55 126.02 3dpq n ASP 561 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 3dpq n ASP 561 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 3dpq n ASP 561 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 3dpq h LYS 562 N 0.00 0.00 0.00 -1.24 3.64 -1.98 -0.88 116.57 116.11 3dpq h LYS 562 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dpq h LYS 562 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3dpq h LYS 562 CO 0.00 0.62 0.25 -2.37 -2.27 0.00 0.00 179.45 175.68 3dpq n THR 563 N -4.60 0.73 -0.07 1.00 5.66 2.14 0.21 114.28 119.34 3dpq n THR 563 Ca -0.13 0.72 -0.21 0.00 -3.05 0.00 0.00 64.05 61.38 3dpq n THR 563 Cb 0.39 -1.72 -0.13 0.00 -1.55 0.00 0.00 70.33 67.32 3dpq n THR 563 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dpq n ALA 564 N -1.57 1.11 -0.05 1.79 0.00 -1.20 -3.76 120.51 116.83 3dpq n ALA 564 Ca -0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 53.44 52.58 3dpq n ALA 564 Cb 0.27 -0.37 0.22 0.00 0.00 0.00 0.00 19.45 19.56 3dpq n ALA 564 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3dpq h ILE 565 N -0.17 1.23 0.00 0.00 2.04 0.13 0.16 117.51 120.89 3dpq h ILE 565 Ca -0.50 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.39 3dpq h ILE 565 Cb 1.87 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 3dpq h ILE 565 CO -0.06 0.33 0.00 -0.33 0.00 0.00 0.00 178.15 178.09 3dpq h GLU 566 N 0.60 0.00 0.07 2.37 4.39 -1.25 -0.70 114.58 120.06 3dpq h GLU 566 Ca 0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 3dpq h GLU 566 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3dpq h GLU 566 CO 0.02 0.00 -0.03 1.03 -1.16 0.00 0.00 179.01 178.87 3dpq h SER 567 N 0.00 -0.08 -0.67 1.42 0.87 -0.80 -2.95 113.55 111.34 3dpq h SER 567 Ca 0.00 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.70 3dpq h SER 567 Cb 0.48 0.02 -0.13 0.00 -0.44 0.00 0.00 62.40 62.34 3dpq h SER 567 CO 0.00 0.24 -0.17 0.00 -0.53 0.00 0.00 176.83 176.37 3dpq n ALA 568 N -2.51 0.15 0.31 6.23 0.00 -0.78 0.01 120.51 123.93 3dpq n ALA 568 Ca -0.01 0.74 0.19 0.00 0.00 0.00 0.00 53.44 54.35 3dpq n ALA 568 Cb 0.04 -0.44 1.04 0.00 0.00 0.00 0.00 19.45 20.09 3dpq n ALA 568 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dpq h LEU 569 N 0.00 0.00 -0.79 0.00 3.38 -0.96 1.07 115.31 118.01 3dpq h LEU 569 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3dpq h LEU 569 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3dpq h LEU 569 CO -0.69 0.00 -0.28 0.41 0.09 0.00 0.00 178.44 177.97 3dpq n THR 570 N -3.47 0.00 0.04 0.22 -1.04 0.10 -2.47 114.28 107.66 3dpq n THR 570 Ca -0.03 -0.36 0.11 0.00 -2.04 0.00 0.00 64.05 61.73 3dpq n THR 570 Cb 0.11 1.15 -0.09 0.00 -1.82 0.00 0.00 70.33 69.68 3dpq n THR 570 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dpq n ALA 571 N -0.23 2.64 -0.03 2.41 0.00 0.22 -3.54 120.51 121.99 3dpq n ALA 571 Ca 0.05 -0.40 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 3dpq n ALA 571 Cb 0.27 -0.91 -0.14 0.00 0.00 0.00 0.00 19.45 18.67 3dpq n ALA 571 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dpq n LEU 572 N -2.47 1.69 0.21 0.00 7.94 0.31 -3.50 117.00 121.18 3dpq n LEU 572 Ca -0.03 0.25 0.13 0.00 -1.11 0.00 0.00 56.01 55.25 3dpq n LEU 572 Cb 0.58 -0.42 0.26 0.00 0.53 0.00 0.00 43.42 44.37 3dpq n LEU 572 CO 0.43 0.63 0.84 -0.08 -1.11 0.00 0.00 177.39 178.11 3dpq h GLU 573 N 0.03 0.00 -0.47 1.96 4.57 -1.66 -0.54 114.58 118.47 3dpq h GLU 573 Ca -0.39 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 3dpq h GLU 573 Cb 2.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.62 3dpq h GLU 573 CO 0.07 0.00 0.00 2.41 -1.18 0.00 0.00 179.01 180.31 3dpq n THR 574 N -2.97 0.67 -0.01 0.32 -1.04 -1.23 -3.96 114.28 106.07 3dpq n THR 574 Ca 0.04 -0.83 -0.01 0.00 -2.04 0.00 0.00 64.05 61.21 3dpq n THR 574 Cb 0.49 0.82 -0.01 0.00 -1.82 0.00 0.00 70.33 69.81 3dpq n THR 574 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dpq n ALA 575 N 1.42 1.97 0.04 2.41 0.00 -1.12 -4.59 120.51 120.64 3dpq n ALA 575 Ca 0.20 -0.06 0.19 0.00 0.00 0.00 0.00 53.44 53.77 3dpq n ALA 575 Cb 0.58 0.35 0.71 0.00 0.00 0.00 0.00 19.45 21.10 3dpq n ALA 575 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dpq h LEU 576 N 0.00 0.00 0.00 0.00 3.38 -1.22 0.48 115.31 117.94 3dpq h LEU 576 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3dpq h LEU 576 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3dpq h LEU 576 CO -0.00 0.00 -0.11 0.29 0.09 0.00 0.00 178.44 178.71 3dpq n LYS 577 N -4.26 0.00 -2.21 1.13 4.01 -1.26 -4.79 118.16 110.78 3dpq n LYS 577 Ca 0.08 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.62 3dpq n LYS 577 Cb 0.56 -1.50 0.05 0.00 -0.51 0.00 0.00 35.03 33.63 3dpq n LYS 577 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3dpq s GLY 578 N -3.01 1.64 0.00 0.72 0.00 0.17 -5.00 107.32 101.85 3dpq s GLY 578 Ca 0.13 -0.74 0.13 0.00 0.00 0.00 0.00 44.72 44.24 3dpq s GLY 578 CO 0.57 -0.38 1.25 1.18 0.00 0.00 0.00 173.10 175.71 3dpq n GLU 579 N -2.83 2.51 -3.39 2.90 1.02 -1.26 -4.85 120.64 114.74 3dpq n GLU 579 Ca 0.06 -2.03 -0.43 0.00 -0.02 0.00 0.00 57.16 54.74 3dpq n GLU 579 Cb 0.59 -1.32 -0.09 0.00 -0.02 0.00 0.00 31.44 30.60 3dpq n GLU 579 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3dpq s ASP 580 N -1.02 6.15 -0.00 1.62 -1.08 -1.26 -4.97 116.67 116.10 3dpq s ASP 580 Ca 0.26 -0.91 -0.18 0.00 -0.52 0.00 0.00 52.55 51.20 3dpq s ASP 580 Cb 0.14 -2.19 -0.10 0.00 -1.46 0.00 0.00 42.92 39.32 3dpq s ASP 580 CO 0.19 -0.54 0.87 0.50 0.52 0.00 0.00 175.17 176.70 3dpq h LYS 581 N 8.70 -0.61 -0.04 4.34 3.64 -1.94 -2.60 116.57 128.06 3dpq h LYS 581 Ca -0.27 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.16 3dpq h LYS 581 Cb 1.11 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3dpq h LYS 581 CO 0.79 -0.41 0.22 0.00 -2.27 0.00 0.00 179.45 177.78 3dpq h ALA 582 N -1.40 1.32 -1.30 5.00 0.00 -1.97 0.13 119.26 121.05 3dpq h ALA 582 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dpq h ALA 582 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3dpq h ALA 582 CO 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.12 3dpq n ALA 583 N -2.02 -0.17 -0.23 0.00 0.00 -1.17 -0.63 120.51 116.30 3dpq n ALA 583 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3dpq n ALA 583 Cb 0.29 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.78 3dpq n ALA 583 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3dpq n ILE 584 N -1.35 -0.30 0.05 0.00 5.41 -0.43 0.13 119.36 122.86 3dpq n ILE 584 Ca 0.00 1.41 -0.00 0.00 1.00 0.00 0.00 62.75 65.16 3dpq n ILE 584 Cb 0.00 -1.87 0.30 0.00 -0.71 0.00 0.00 39.64 37.36 3dpq n ILE 584 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3dpq h GLU 585 N 0.00 0.40 -0.58 0.38 5.08 -0.88 0.48 114.58 119.47 3dpq h GLU 585 Ca 0.23 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3dpq h GLU 585 Cb 0.38 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3dpq h GLU 585 CO -0.60 0.53 0.26 0.00 -1.00 0.00 0.00 179.01 178.19 3dpq h ALA 586 N 1.50 0.75 -0.00 3.43 0.00 0.35 -0.89 119.26 124.39 3dpq h ALA 586 Ca 0.07 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3dpq h ALA 586 Cb 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3dpq h ALA 586 CO 0.03 0.33 -0.62 0.87 0.00 0.00 0.00 179.25 179.85 3dpq h LYS 587 N 0.79 0.02 -0.40 0.00 1.79 0.17 0.76 116.57 119.69 3dpq h LYS 587 Ca 0.20 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.58 3dpq h LYS 587 Cb 0.16 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 3dpq h LYS 587 CO -0.02 0.63 -0.05 0.52 -1.08 0.00 0.00 179.45 179.45 3dpq h MET 588 N 0.01 0.67 -0.51 3.15 2.86 -0.70 -2.54 114.93 117.88 3dpq h MET 588 Ca -0.01 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.39 3dpq h MET 588 Cb 1.10 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 3dpq h MET 588 CO 0.08 0.72 0.08 0.37 1.06 0.00 0.00 176.91 179.23 3dpq h GLN 589 N 0.62 0.80 -0.07 1.72 5.75 0.20 -1.11 115.11 123.01 3dpq h GLN 589 Ca 0.12 -0.18 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 3dpq h GLN 589 Cb 0.47 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.91 3dpq h GLN 589 CO 0.02 0.75 -0.06 0.93 -2.65 0.00 0.00 178.83 177.82 3dpq h GLU 590 N 0.76 0.16 -0.21 1.69 5.08 -0.98 -1.74 114.58 119.34 3dpq h GLU 590 Ca 0.16 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3dpq h GLU 590 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3dpq h GLU 590 CO 0.01 0.58 0.18 1.25 -1.00 0.00 0.00 179.01 180.03 3dpq h LEU 591 N -0.26 0.00 0.00 1.33 5.85 -1.06 0.49 115.31 121.65 3dpq h LEU 591 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3dpq h LEU 591 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3dpq h LEU 591 CO 0.01 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.11 3dpq n ALA 592 N -2.46 1.78 -1.65 1.25 0.00 -0.46 -3.17 120.51 115.80 3dpq n ALA 592 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3dpq n ALA 592 Cb 0.32 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3dpq n ALA 592 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dpq n GLN 593 N -1.27 0.00 0.00 0.00 10.64 0.17 -4.59 117.38 122.33 3dpq n GLN 593 Ca 0.06 -0.58 0.04 0.00 -1.83 0.00 0.00 57.00 54.70 3dpq n GLN 593 Cb 0.10 -0.38 -0.02 0.00 -0.86 0.00 0.00 30.24 29.08 3dpq n GLN 593 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 3dpq n VAL 594 N 0.00 0.00 0.63 -0.39 0.24 -1.08 -4.64 118.33 113.08 3dpq n VAL 594 Ca 0.00 -0.36 0.09 0.00 -2.04 0.00 0.00 64.34 62.03 3dpq n VAL 594 Cb 0.58 1.05 0.10 0.00 -1.47 0.00 0.00 33.84 34.09 3dpq n VAL 594 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3dpq n SER 595 N -0.76 2.61 0.16 -1.34 7.64 -1.19 -4.31 113.62 116.43 3dpq n SER 595 Ca 0.02 -1.78 0.03 0.00 1.01 0.00 0.00 58.87 58.16 3dpq n SER 595 Cb 0.14 -0.04 0.42 0.00 -1.01 0.00 0.00 64.21 63.72 3dpq n SER 595 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3dpq h GLN 596 N 3.49 0.14 -0.89 1.43 4.15 -1.82 -2.59 115.11 119.02 3dpq h GLN 596 Ca 0.00 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.25 3dpq h GLN 596 Cb 0.76 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.35 3dpq h GLN 596 CO 0.00 0.32 0.17 1.17 -1.93 0.00 0.00 178.83 178.56 3dpq n LYS 597 N -4.27 2.32 0.00 1.69 4.81 -1.26 0.03 118.16 121.48 3dpq n LYS 597 Ca -0.01 -1.58 0.00 0.00 -0.87 0.00 0.00 58.31 55.85 3dpq n LYS 597 Cb 0.27 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.58 3dpq n LYS 597 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3dpq n LEU 598 N -0.01 0.00 -0.00 3.14 4.32 -0.98 -4.56 117.00 118.91 3dpq n LEU 598 Ca 0.23 -0.30 0.10 0.00 -0.02 0.00 0.00 56.01 56.01 3dpq n LEU 598 Cb 0.92 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.60 3dpq n LEU 598 CO 0.24 0.00 -0.20 0.80 -1.22 0.00 0.00 177.39 177.01 3dpq n MET 599 N -0.69 0.15 0.00 3.23 1.56 0.10 -5.09 117.12 116.39 3dpq n MET 599 Ca 0.00 -0.04 0.12 0.00 -0.27 0.00 0.00 57.70 57.51 3dpq n MET 599 Cb 0.00 -1.51 0.20 0.00 2.15 0.00 0.00 33.22 34.07 3dpq n MET 599 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33