#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfd s MET 421 N 0.00 4.37 0.01 4.33 0.00 -1.26 -4.78 119.30 121.97 2jfd s MET 421 Ca 0.00 2.04 -0.07 0.00 0.00 0.00 0.00 55.69 57.66 2jfd s MET 421 Cb 0.00 -3.23 -0.00 0.00 0.00 0.00 0.00 34.83 31.60 2jfd s MET 421 CO 0.00 -0.32 0.12 1.03 0.00 0.00 0.00 175.02 175.85 2jfd s ARG 422 N 0.44 0.51 -0.14 4.11 1.81 -0.26 -5.00 118.95 120.42 2jfd s ARG 422 Ca 0.60 -0.51 -0.17 0.00 -1.72 0.00 0.00 55.73 53.92 2jfd s ARG 422 Cb -0.36 0.21 -0.04 0.00 -0.45 0.00 0.00 34.95 34.31 2jfd s ARG 422 CO 0.34 -0.12 0.45 -1.17 -0.68 0.00 0.00 175.30 174.12 2jfd s LEU 423 N -1.61 4.24 -0.14 2.53 2.96 -1.26 -0.47 118.68 124.93 2jfd s LEU 423 Ca -0.12 0.72 -0.01 0.00 -0.22 0.00 0.00 54.13 54.51 2jfd s LEU 423 Cb -0.06 -2.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 2jfd s LEU 423 CO -0.00 -0.02 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.66 2jfd s LEU 424 N 0.82 2.71 0.07 -0.68 2.96 0.26 -4.86 118.68 119.96 2jfd s LEU 424 Ca 0.24 -0.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.86 2jfd s LEU 424 Cb -0.15 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2jfd s LEU 424 CO 0.09 0.13 -0.11 0.00 -1.32 0.00 0.00 176.35 175.14 2jfd s ARG 425 N 0.53 2.20 0.02 1.98 1.70 -1.26 -1.08 118.95 123.05 2jfd s ARG 425 Ca -0.08 -0.95 -0.01 0.00 -0.47 0.00 0.00 55.73 54.22 2jfd s ARG 425 Cb -0.16 -2.32 -0.02 0.00 -0.57 0.00 0.00 34.95 31.89 2jfd s ARG 425 CO 0.04 0.54 -0.01 0.00 -1.08 0.00 0.00 175.30 174.78 2jfd s ALA 426 N -1.10 0.10 -0.02 7.88 0.00 -0.03 -4.53 121.76 124.06 2jfd s ALA 426 Ca 0.19 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.56 2jfd s ALA 426 Cb -0.11 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.18 2jfd s ALA 426 CO 0.10 -0.19 -0.01 -1.12 0.00 0.00 0.00 175.76 174.55 2jfd s SER 427 N -1.59 0.37 0.13 0.00 0.01 -1.26 -0.36 113.70 111.01 2jfd s SER 427 Ca -0.14 -0.04 -0.13 0.00 1.31 0.00 0.00 55.95 56.96 2jfd s SER 427 Cb -0.08 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.03 2jfd s SER 427 CO -0.02 -0.04 0.34 -0.83 0.41 0.00 0.00 173.24 173.11 2jfd s GLY 428 N 0.53 -0.02 0.31 3.44 0.00 0.39 -4.87 107.32 107.11 2jfd s GLY 428 Ca -0.05 -0.38 0.19 0.00 0.00 0.00 0.00 44.72 44.48 2jfd s GLY 428 CO -0.01 -0.53 1.40 -0.09 0.00 0.00 0.00 173.10 173.87 2jfd h ARG 429 N 2.48 0.00 -4.12 2.90 2.43 -1.90 0.31 114.38 116.48 2jfd h ARG 429 Ca -0.33 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.71 2jfd h ARG 429 Cb 1.24 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.62 2jfd h ARG 429 CO 0.48 0.23 -0.67 0.95 -1.51 0.00 0.00 179.97 179.46 2jfd s THR 430 N -3.10 0.18 0.42 0.20 -4.23 -1.26 -4.77 115.64 103.08 2jfd s THR 430 Ca 0.04 -1.45 0.12 0.00 -1.18 0.00 0.00 61.69 59.21 2jfd s THR 430 Cb 0.07 -1.06 0.32 0.00 1.34 0.00 0.00 72.50 73.17 2jfd s THR 430 CO 0.73 -0.80 1.98 -0.65 -0.54 0.00 0.00 174.62 175.34 2jfd h PRO 431 N 3.67 0.47 -0.26 3.99 0.11 -1.96 0.03 132.00 138.06 2jfd h PRO 431 Ca -0.33 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.68 2jfd h PRO 431 Cb 1.17 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2jfd h PRO 431 CO 0.57 0.31 -0.09 0.93 -0.21 0.00 0.00 178.00 179.50 2jfd h GLU 432 N 0.49 0.52 -0.40 1.05 3.07 -1.98 0.17 114.58 117.49 2jfd h GLU 432 Ca 0.28 -0.21 0.08 0.00 -0.50 0.00 0.00 59.36 59.01 2jfd h GLU 432 Cb 0.45 -0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 28.26 2jfd h GLU 432 CO -0.08 0.76 -0.19 0.00 -1.40 0.00 0.00 179.01 178.09 2jfd h ALA 433 N 0.75 0.11 -0.61 3.43 0.00 -1.44 -0.25 119.26 121.26 2jfd h ALA 433 Ca 0.06 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2jfd h ALA 433 Cb 0.58 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2jfd h ALA 433 CO 0.03 -0.55 0.32 0.28 0.00 0.00 0.00 179.25 179.33 2jfd h VAL 434 N -0.11 1.20 -0.85 0.00 2.07 -1.03 -1.57 116.25 115.96 2jfd h VAL 434 Ca 0.20 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2jfd h VAL 434 Cb 0.42 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2jfd h VAL 434 CO -0.48 0.22 0.56 1.56 0.02 0.00 0.00 177.57 179.45 2jfd h GLN 435 N 0.82 1.13 -0.06 1.57 1.08 0.29 -1.49 115.11 118.45 2jfd h GLN 435 Ca 0.21 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2jfd h GLN 435 Cb 0.07 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 27.25 2jfd h GLN 435 CO -0.03 0.75 0.00 0.87 -0.95 0.00 0.00 178.83 179.48 2jfd h LYS 436 N 1.16 0.10 -0.73 1.46 1.79 -0.75 -2.19 116.57 117.40 2jfd h LYS 436 Ca 0.31 -0.03 0.16 0.00 -2.18 0.00 0.00 60.65 58.91 2jfd h LYS 436 Cb -0.12 -0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 30.41 2jfd h LYS 436 CO -0.07 0.36 0.17 1.25 -1.08 0.00 0.00 179.45 180.08 2jfd h LEU 437 N -0.17 -0.00 -1.34 2.94 5.85 -0.85 0.50 115.31 122.24 2jfd h LEU 437 Ca 0.02 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2jfd h LEU 437 Cb 0.31 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 2jfd h LEU 437 CO 0.00 -0.04 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.89 2jfd h LEU 438 N 0.26 0.00 -0.33 2.25 3.38 -1.11 -1.85 115.31 117.92 2jfd h LEU 438 Ca 0.41 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.18 2jfd h LEU 438 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2jfd h LEU 438 CO -0.51 0.10 -0.79 -0.08 0.09 0.00 0.00 178.44 177.25 2jfd h GLU 439 N 0.00 0.42 -0.28 1.13 4.57 0.58 -2.14 114.58 118.86 2jfd h GLU 439 Ca -0.00 -0.37 -0.07 0.00 -1.18 0.00 0.00 59.36 57.74 2jfd h GLU 439 Cb 0.60 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 2jfd h GLU 439 CO 0.01 1.02 -0.08 1.96 -1.18 0.00 0.00 179.01 180.74 2jfd h GLN 440 N 0.27 0.55 -0.85 1.92 1.08 -0.33 0.75 115.11 118.50 2jfd h GLN 440 Ca -0.04 -0.22 0.06 0.00 -1.45 0.00 0.00 58.65 57.00 2jfd h GLN 440 Cb 1.39 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 28.73 2jfd h GLN 440 CO 0.14 0.76 0.52 0.78 -0.95 0.00 0.00 178.83 180.08 2jfd h GLY 441 N 0.30 1.28 1.03 3.46 0.00 -1.52 -0.80 103.07 106.82 2jfd h GLY 441 Ca 0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 2jfd h GLY 441 CO 0.03 0.26 0.25 -2.00 0.00 0.00 0.00 176.54 175.09 2jfd h LEU 442 N 0.96 1.00 -0.02 3.11 5.85 -1.01 0.03 115.31 125.24 2jfd h LEU 442 Ca 0.37 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2jfd h LEU 442 Cb 0.17 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2jfd h LEU 442 CO -0.17 0.92 0.00 0.54 -0.34 0.00 0.00 178.44 179.39 2jfd n ARG 443 N -4.33 1.01 -2.07 1.25 5.12 0.22 -2.15 116.66 115.72 2jfd n ARG 443 Ca 0.05 -0.02 -0.03 0.00 -1.93 0.00 0.00 57.85 55.93 2jfd n ARG 443 Cb 0.20 -1.26 0.06 0.00 -1.16 0.00 0.00 32.46 30.29 2jfd n ARG 443 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2jfd n HIS 444 N -0.74 1.08 -0.30 -1.55 8.25 -0.40 -4.94 115.22 116.63 2jfd n HIS 444 Ca 0.12 -1.66 0.13 0.00 -0.26 0.00 0.00 57.72 56.05 2jfd n HIS 444 Cb 0.06 -0.23 0.29 0.00 1.12 0.00 0.00 29.99 31.23 2jfd n HIS 444 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2jfd h SER 445 N 1.92 0.11 -0.21 0.41 0.02 -0.50 -1.64 113.55 113.67 2jfd h SER 445 Ca -0.05 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2jfd h SER 445 Cb 1.45 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.21 2jfd h SER 445 CO 0.25 -0.11 0.00 0.00 -1.14 0.00 0.00 176.83 175.84 2jfd n GLN 446 N -5.16 1.80 -3.21 3.45 6.02 -1.26 -4.67 117.38 114.33 2jfd n GLN 446 Ca 0.21 -1.20 -0.46 0.00 -0.01 0.00 0.00 57.00 55.54 2jfd n GLN 446 Cb 0.67 -1.38 -0.02 0.00 1.02 0.00 0.00 30.24 30.52 2jfd n GLN 446 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2jfd s ASP 447 N -1.47 6.66 0.19 1.08 -1.08 -0.62 -4.92 116.67 116.52 2jfd s ASP 447 Ca 0.31 -2.39 -0.05 0.00 -0.52 0.00 0.00 52.55 49.90 2jfd s ASP 447 Cb 0.17 -2.26 0.12 0.00 -1.46 0.00 0.00 42.92 39.49 2jfd s ASP 447 CO 0.25 -0.75 1.56 -0.07 0.52 0.00 0.00 175.17 176.68 2jfd h LEU 448 N 8.66 0.78 -0.87 -1.34 3.38 -1.85 -1.61 115.31 122.45 2jfd h LEU 448 Ca 0.07 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.78 2jfd h LEU 448 Cb 1.04 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 2jfd h LEU 448 CO 0.88 1.06 0.53 0.00 0.09 0.00 0.00 178.44 181.00 2jfd h ALA 449 N 0.98 1.23 -0.06 1.53 0.00 -1.92 0.62 119.26 121.63 2jfd h ALA 449 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2jfd h ALA 449 Cb 0.88 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2jfd h ALA 449 CO 0.08 0.23 -0.06 0.35 0.00 0.00 0.00 179.25 179.85 2jfd h PHE 450 N 0.94 0.19 -0.60 0.00 3.57 -1.82 -2.35 116.94 116.87 2jfd h PHE 450 Ca 0.40 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.87 2jfd h PHE 450 Cb 0.26 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2jfd h PHE 450 CO -0.04 0.60 0.36 -0.07 -2.23 0.00 0.00 178.31 176.94 2jfd h LEU 451 N -0.28 0.58 -0.85 0.59 3.38 -1.05 -0.08 115.31 117.59 2jfd h LEU 451 Ca 0.01 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.11 2jfd h LEU 451 Cb 0.57 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 2jfd h LEU 451 CO 0.02 0.40 0.47 -1.28 0.09 0.00 0.00 178.44 178.13 2jfd h SER 452 N 0.70 0.62 -0.03 -0.43 0.87 -0.82 -0.59 113.55 113.88 2jfd h SER 452 Ca 0.25 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.87 2jfd h SER 452 Cb 0.05 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2jfd h SER 452 CO -0.11 0.32 0.00 -0.03 -0.53 0.00 0.00 176.83 176.48 2jfd h MET 453 N 0.72 0.06 -0.97 2.24 -1.53 -0.72 -2.25 114.93 112.48 2jfd h MET 453 Ca 0.43 -0.02 0.14 0.00 -3.44 0.00 0.00 59.70 56.82 2jfd h MET 453 Cb 0.51 -0.01 -0.09 0.00 -0.55 0.00 0.00 31.60 31.46 2jfd h MET 453 CO -0.30 0.32 0.59 -0.07 0.14 0.00 0.00 176.91 177.59 2jfd h LEU 454 N -0.22 0.82 -0.72 3.39 4.07 -0.33 -2.11 115.31 120.23 2jfd h LEU 454 Ca 0.01 0.07 -0.09 0.00 0.08 0.00 0.00 57.88 57.95 2jfd h LEU 454 Cb 0.29 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 2jfd h LEU 454 CO 0.00 0.40 0.01 0.78 -1.08 0.00 0.00 178.44 178.55 2jfd h ASN 455 N 0.87 0.97 -0.68 -0.43 2.35 -0.77 -2.43 115.58 115.47 2jfd h ASN 455 Ca 0.51 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 2jfd h ASN 455 Cb 0.60 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 2jfd h ASN 455 CO -0.31 1.02 0.45 0.44 -1.65 0.00 0.00 177.43 177.38 2jfd h ASP 456 N 0.92 0.78 0.77 5.81 3.32 -0.82 -2.97 116.42 124.23 2jfd h ASP 456 Ca 0.17 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2jfd h ASP 456 Cb 0.52 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 2jfd h ASP 456 CO 0.03 0.56 -0.09 0.40 -1.72 0.00 0.00 179.24 178.41 2jfd h ILE 457 N 0.92 0.28 0.00 0.35 5.03 -0.96 -3.10 117.51 120.03 2jfd h ILE 457 Ca 0.25 -0.65 0.00 0.00 -0.12 0.00 0.00 64.86 64.34 2jfd h ILE 457 Cb -0.10 1.51 0.00 0.00 -3.03 0.00 0.00 36.82 35.20 2jfd h ILE 457 CO -0.06 0.09 0.00 0.00 -0.68 0.00 0.00 178.15 177.50 2jfd h ALA 458 N 1.91 1.00 -0.42 1.87 0.00 -1.31 -3.39 119.26 118.91 2jfd h ALA 458 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 2jfd h ALA 458 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2jfd h ALA 458 CO 0.01 0.00 1.01 0.00 0.00 0.00 0.00 179.25 180.27 2jfd n ALA 459 N -1.85 1.71 -3.69 0.00 0.00 -1.17 -4.58 120.51 110.93 2jfd n ALA 459 Ca 0.02 -2.96 -0.18 0.00 0.00 0.00 0.00 53.44 50.32 2jfd n ALA 459 Cb 0.25 -3.47 -0.16 0.00 0.00 0.00 0.00 19.45 16.07 2jfd n ALA 459 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jfd s VAL 460 N 11.49 0.25 0.36 0.00 1.01 -1.26 -5.12 120.40 127.13 2jfd s VAL 460 Ca 0.69 0.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.44 2jfd s VAL 460 Cb -0.01 -0.33 -0.12 0.00 0.00 0.00 0.00 36.38 35.92 2jfd s VAL 460 CO 0.14 0.16 1.30 -0.81 0.00 0.00 0.00 175.10 175.89 2jfd n PRO 461 N 4.14 2.12 -0.29 2.72 -0.04 -1.26 -4.61 135.00 137.78 2jfd n PRO 461 Ca -0.26 0.74 0.06 0.00 -0.04 0.00 0.00 63.50 64.00 2jfd n PRO 461 Cb 0.50 -2.36 0.27 0.00 -0.04 0.00 0.00 33.50 31.88 2jfd n PRO 461 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jfd h ALA 462 N 2.47 1.58 -0.96 0.55 0.00 -1.92 0.95 119.26 121.94 2jfd h ALA 462 Ca -0.47 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.58 2jfd h ALA 462 Cb 1.28 -0.23 -0.16 0.00 0.00 0.00 0.00 17.79 18.68 2jfd h ALA 462 CO 0.62 0.26 -0.35 2.41 0.00 0.00 0.00 179.25 182.19 2jfd n THR 463 N -4.51 -0.48 -0.04 0.00 -1.04 -1.26 -2.50 114.28 104.44 2jfd n THR 463 Ca 0.14 2.23 -0.09 0.00 -2.04 0.00 0.00 64.05 64.29 2jfd n THR 463 Cb 0.25 -2.97 -0.08 0.00 -1.82 0.00 0.00 70.33 65.71 2jfd n THR 463 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jfd h ALA 464 N 1.43 -0.03 -3.32 2.41 0.00 -1.46 -3.43 119.26 114.86 2jfd h ALA 464 Ca 0.36 -0.30 -0.62 0.00 0.00 0.00 0.00 54.91 54.34 2jfd h ALA 464 Cb 0.60 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.00 2jfd h ALA 464 CO -0.96 -0.05 -0.72 1.41 0.00 0.00 0.00 179.25 178.93 2jfd s MET 465 N -2.24 1.29 0.00 0.00 1.75 0.17 -4.95 119.30 115.33 2jfd s MET 465 Ca -0.12 -1.79 0.15 0.00 -1.25 0.00 0.00 55.69 52.68 2jfd s MET 465 Cb -0.01 -2.66 0.79 0.00 2.84 0.00 0.00 34.83 35.78 2jfd s MET 465 CO 0.44 -1.03 1.53 -0.35 -0.65 0.00 0.00 175.02 174.96 2jfd n PRO 466 N 4.08 1.22 -5.16 4.11 -0.04 -1.04 -4.28 135.00 133.88 2jfd n PRO 466 Ca 0.03 -0.33 -0.32 0.00 -0.04 0.00 0.00 63.50 62.84 2jfd n PRO 466 Cb 0.39 -1.26 -0.17 0.00 -0.04 0.00 0.00 33.50 32.42 2jfd n PRO 466 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jfd s PHE 467 N -1.92 2.59 0.13 0.54 0.08 0.10 -1.48 117.98 118.01 2jfd s PHE 467 Ca 0.24 -0.97 0.08 0.00 0.12 0.00 0.00 56.93 56.39 2jfd s PHE 467 Cb 0.12 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.81 2jfd s PHE 467 CO 0.19 -0.38 -0.18 1.03 -0.10 0.00 0.00 175.22 175.78 2jfd s ARG 468 N 0.31 1.14 0.25 0.44 0.52 -0.62 0.15 118.95 121.13 2jfd s ARG 468 Ca -0.17 -1.26 -0.11 0.00 -0.52 0.00 0.00 55.73 53.67 2jfd s ARG 468 Cb -0.17 -1.22 -0.01 0.00 0.52 0.00 0.00 34.95 34.07 2jfd s ARG 468 CO 0.08 0.26 0.45 0.20 0.02 0.00 0.00 175.30 176.31 2jfd s GLY 469 N -2.31 0.65 0.15 -3.53 0.00 0.52 -1.32 107.32 101.47 2jfd s GLY 469 Ca 0.10 -0.97 -0.16 0.00 0.00 0.00 0.00 44.72 43.68 2jfd s GLY 469 CO 0.05 -0.71 0.44 -2.52 0.00 0.00 0.00 173.10 170.36 2jfd s TYR 470 N -3.98 -0.17 -0.20 1.90 1.13 0.29 -0.85 117.35 115.46 2jfd s TYR 470 Ca 0.24 -0.15 -0.16 0.00 -1.41 0.00 0.00 57.07 55.59 2jfd s TYR 470 Cb -0.00 0.30 0.06 0.00 -1.10 0.00 0.00 41.96 41.21 2jfd s TYR 470 CO 0.10 -0.77 0.53 0.00 -2.51 0.00 0.00 175.55 172.89 2jfd s ALA 471 N -3.83 -1.34 -0.53 9.51 0.00 -0.24 -1.19 121.76 124.15 2jfd s ALA 471 Ca 0.05 1.64 -0.17 0.00 0.00 0.00 0.00 51.96 53.48 2jfd s ALA 471 Cb 0.01 -0.96 0.09 0.00 0.00 0.00 0.00 23.12 22.26 2jfd s ALA 471 CO -0.09 -0.27 0.55 0.08 0.00 0.00 0.00 175.76 176.03 2jfd s VAL 472 N 0.71 5.04 0.05 0.00 1.01 -1.26 -0.57 120.40 125.37 2jfd s VAL 472 Ca -0.03 -1.05 -0.28 0.00 0.00 0.00 0.00 61.98 60.62 2jfd s VAL 472 Cb -0.05 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 2jfd s VAL 472 CO -0.05 -0.85 0.88 -0.76 0.00 0.00 0.00 175.10 174.32 2jfd s LEU 473 N 2.11 4.44 0.00 3.92 1.43 0.38 -4.13 118.68 126.82 2jfd s LEU 473 Ca 0.08 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 2jfd s LEU 473 Cb -0.25 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.54 2jfd s LEU 473 CO 0.07 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.16 2jfd n GLY 474 N 2.53 0.56 1.39 -3.19 0.00 -1.26 -1.10 105.19 104.12 2jfd n GLY 474 Ca 0.01 -1.43 0.14 0.00 0.00 0.00 0.00 46.02 44.75 2jfd n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jfd n GLY 475 N 1.23 -1.95 2.62 -0.02 0.00 -1.26 -4.69 105.19 101.11 2jfd n GLY 475 Ca 0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 2jfd n GLY 475 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jfd n GLU 476 N -3.39 2.45 -1.73 1.61 1.02 -1.26 -4.07 120.64 115.27 2jfd n GLU 476 Ca 0.01 -4.22 -0.30 0.00 -0.02 0.00 0.00 57.16 52.63 2jfd n GLU 476 Cb 0.48 -1.98 0.05 0.00 -0.02 0.00 0.00 31.44 29.96 2jfd n GLU 476 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2jfd n ARG 477 N -0.14 3.16 0.07 3.49 1.85 -1.26 -4.85 116.66 118.97 2jfd n ARG 477 Ca 0.28 -3.77 -0.01 0.00 -1.00 0.00 0.00 57.85 53.36 2jfd n ARG 477 Cb 0.57 -2.28 -0.06 0.00 -1.05 0.00 0.00 32.46 29.64 2jfd n ARG 477 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2jfd h GLY 478 N 2.16 0.00 -5.48 2.89 0.00 -1.72 -3.36 103.07 97.55 2jfd h GLY 478 Ca 0.48 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 47.10 2jfd h GLY 478 CO 1.17 0.00 0.15 0.61 0.00 0.00 0.00 176.54 178.47 2jfd n GLY 479 N 1.34 -0.16 3.79 4.60 0.00 -1.26 -4.36 105.19 109.14 2jfd n GLY 479 Ca -0.05 0.64 -0.32 0.00 0.00 0.00 0.00 46.02 46.28 2jfd n GLY 479 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jfd s PRO 480 N -0.10 2.86 -0.06 1.61 0.04 -1.26 -4.76 135.00 133.34 2jfd s PRO 480 Ca 0.81 1.24 0.02 0.00 0.04 0.00 0.00 61.00 63.11 2jfd s PRO 480 Cb -1.04 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 31.55 2jfd s PRO 480 CO 0.53 -1.18 -0.11 -1.21 0.04 0.00 0.00 177.00 175.07 2jfd s GLU 481 N -4.37 1.55 -0.01 4.56 0.41 -0.33 -4.99 118.70 115.51 2jfd s GLU 481 Ca 0.64 -0.38 0.01 0.00 -0.41 0.00 0.00 54.97 54.83 2jfd s GLU 481 Cb -0.18 -1.31 0.01 0.00 -1.78 0.00 0.00 34.13 30.87 2jfd s GLU 481 CO 0.45 0.03 -0.02 0.08 -0.49 0.00 0.00 175.26 175.30 2jfd s VAL 482 N 0.64 0.24 0.24 2.63 1.01 -1.26 -0.55 120.40 123.36 2jfd s VAL 482 Ca -0.13 -0.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 2jfd s VAL 482 Cb -0.15 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.01 2jfd s VAL 482 CO 0.03 0.10 0.69 0.00 0.00 0.00 0.00 175.10 175.93 2jfd s GLN 483 N 0.34 1.64 0.11 2.72 -2.07 -0.44 -5.01 119.66 116.96 2jfd s GLN 483 Ca -0.03 -0.84 -0.29 0.00 -1.82 0.00 0.00 55.36 52.38 2jfd s GLN 483 Cb -0.06 0.60 -0.06 0.00 -1.09 0.00 0.00 33.01 32.40 2jfd s GLN 483 CO -0.01 -0.74 0.91 -1.14 -1.32 0.00 0.00 175.29 172.99 2jfd s GLN 484 N -3.86 4.67 -0.16 9.60 0.74 -1.26 -1.59 119.66 127.80 2jfd s GLN 484 Ca 0.08 1.37 -0.09 0.00 0.05 0.00 0.00 55.36 56.77 2jfd s GLN 484 Cb -0.05 -3.36 -0.05 0.00 1.10 0.00 0.00 33.01 30.66 2jfd s GLN 484 CO 0.01 0.27 0.14 0.08 -0.55 0.00 0.00 175.29 175.24 2jfd s VAL 485 N -0.15 5.45 0.41 1.34 1.01 -0.55 -4.92 120.40 122.97 2jfd s VAL 485 Ca 0.44 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 62.41 2jfd s VAL 485 Cb -0.23 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 2jfd s VAL 485 CO 0.28 0.52 0.99 -2.16 0.00 0.00 0.00 175.10 174.74 2jfd s PRO 486 N -0.29 4.22 -0.34 2.72 0.04 -1.26 -4.84 135.00 135.23 2jfd s PRO 486 Ca 0.12 1.33 -0.41 0.00 0.04 0.00 0.00 61.00 62.07 2jfd s PRO 486 Cb -0.12 -2.42 -0.16 0.00 0.04 0.00 0.00 34.50 31.84 2jfd s PRO 486 CO 0.01 -0.06 1.78 0.00 0.04 0.00 0.00 177.00 178.77 2jfd n ALA 487 N -0.24 -0.28 -3.80 8.56 0.00 -1.26 -4.84 120.51 118.64 2jfd n ALA 487 Ca 0.06 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.51 2jfd n ALA 487 Cb 0.51 -2.18 -0.13 0.00 0.00 0.00 0.00 19.45 17.65 2jfd n ALA 487 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jfd s GLY 488 N 3.93 1.85 -0.46 0.00 0.00 -1.26 -4.95 107.32 106.43 2jfd s GLY 488 Ca 1.02 -2.14 0.03 0.00 0.00 0.00 0.00 44.72 43.63 2jfd s GLY 488 CO 0.68 0.83 0.24 -1.83 0.00 0.00 0.00 173.10 173.01 2jfd s GLU 489 N 1.14 1.52 -0.11 2.90 1.03 -1.26 -5.04 118.70 118.87 2jfd s GLU 489 Ca 0.01 -2.20 -0.01 0.00 0.03 0.00 0.00 54.97 52.81 2jfd s GLU 489 Cb -0.21 -2.70 -0.03 0.00 -0.80 0.00 0.00 34.13 30.40 2jfd s GLU 489 CO -0.04 -1.13 -0.07 1.03 -1.33 0.00 0.00 175.26 173.72 2jfd s ARG 490 N 0.17 3.25 0.34 -4.83 0.52 -1.26 -5.05 118.95 112.08 2jfd s ARG 490 Ca 0.17 -0.56 -0.26 0.00 -0.52 0.00 0.00 55.73 54.56 2jfd s ARG 490 Cb -0.25 -2.73 -0.10 0.00 0.52 0.00 0.00 34.95 32.40 2jfd s ARG 490 CO -0.01 0.41 1.00 -1.25 0.02 0.00 0.00 175.30 175.47 2jfd s PRO 491 N -0.12 4.47 -0.21 3.54 0.04 -1.26 -4.84 135.00 136.62 2jfd s PRO 491 Ca 0.01 1.45 -0.07 0.00 0.04 0.00 0.00 61.00 62.43 2jfd s PRO 491 Cb -0.13 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 2jfd s PRO 491 CO 0.03 0.15 0.06 -1.17 0.04 0.00 0.00 177.00 176.10 2jfd s LEU 492 N -2.14 3.63 0.00 -3.56 2.96 -1.26 -0.51 118.68 117.80 2jfd s LEU 492 Ca 0.52 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 54.46 2jfd s LEU 492 Cb -0.21 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 2jfd s LEU 492 CO 0.27 0.09 -0.24 0.26 -1.32 0.00 0.00 176.35 175.42 2jfd s TRP 493 N 0.85 2.10 -0.21 5.38 0.52 0.38 0.05 118.94 128.00 2jfd s TRP 493 Ca 0.03 -0.40 -0.06 0.00 0.02 0.00 0.00 56.10 55.70 2jfd s TRP 493 Cb -0.14 -1.32 -0.03 0.00 -1.15 0.00 0.00 33.47 30.83 2jfd s TRP 493 CO 0.02 0.01 0.03 -0.06 0.02 0.00 0.00 176.95 176.97 2jfd s PHE 494 N -0.62 3.09 -0.15 -1.98 0.40 -0.38 -1.35 117.98 116.98 2jfd s PHE 494 Ca 0.09 -0.35 -0.03 0.00 -0.60 0.00 0.00 56.93 56.05 2jfd s PHE 494 Cb -0.09 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.29 2jfd s PHE 494 CO -0.00 -0.20 -0.06 0.42 0.70 0.00 0.00 175.22 176.08 2jfd s ILE 495 N 1.06 3.70 -0.34 0.64 -1.09 -0.52 -1.43 121.20 123.21 2jfd s ILE 495 Ca 0.03 -0.42 -0.07 0.00 -2.23 0.00 0.00 60.65 57.95 2jfd s ILE 495 Cb -0.14 -2.61 0.04 0.00 -1.58 0.00 0.00 42.46 38.16 2jfd s ILE 495 CO 0.02 0.50 0.12 0.00 -1.23 0.00 0.00 174.94 174.35 2jfd s SER 497 N 1.43 5.41 0.00 0.00 0.01 -1.17 -0.55 113.70 118.83 2jfd s SER 497 Ca -0.01 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.69 2jfd s SER 497 Cb -0.19 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2jfd s SER 497 CO 0.03 -1.40 0.00 0.61 0.41 0.00 0.00 173.24 172.90 2jfd n GLY 498 N -2.35 1.26 3.68 3.44 0.00 -1.11 -3.66 105.19 106.46 2jfd n GLY 498 Ca 0.07 -0.05 -0.63 0.00 0.00 0.00 0.00 46.02 45.41 2jfd n GLY 498 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2jfd n MET 499 N 0.00 0.32 -1.81 1.61 3.85 -1.26 -3.45 117.12 116.37 2jfd n MET 499 Ca 0.00 0.12 -0.18 0.00 -1.00 0.00 0.00 57.70 56.64 2jfd n MET 499 Cb 0.00 -1.66 -0.05 0.00 -1.05 0.00 0.00 33.22 30.46 2jfd n MET 499 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jfd n GLY 500 N 3.38 0.99 0.31 3.17 0.00 -1.26 -4.81 105.19 106.97 2jfd n GLY 500 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2jfd n GLY 500 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jfd n THR 501 N -3.04 0.00 -2.70 2.61 -2.24 -1.22 -4.87 114.28 102.82 2jfd n THR 501 Ca -0.19 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.23 2jfd n THR 501 Cb 0.61 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 2jfd n THR 501 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2jfd s GLN 502 N -1.38 4.31 -0.01 -0.78 -0.21 -1.26 -3.89 119.66 116.43 2jfd s GLN 502 Ca 0.00 1.33 -0.28 0.00 0.02 0.00 0.00 55.36 56.43 2jfd s GLN 502 Cb 0.00 -2.51 0.09 0.00 1.00 0.00 0.00 33.01 31.58 2jfd s GLN 502 CO 0.00 0.02 0.75 1.67 -2.12 0.00 0.00 175.29 175.61 2jfd s TRP 503 N -1.80 -0.53 -0.58 0.91 1.48 -1.26 -5.06 118.94 112.10 2jfd s TRP 503 Ca 0.57 0.69 -0.27 0.00 -1.06 0.00 0.00 56.10 56.03 2jfd s TRP 503 Cb -0.17 0.47 -0.02 0.00 -1.16 0.00 0.00 33.47 32.60 2jfd s TRP 503 CO 0.22 -0.61 1.81 -0.98 -4.06 0.00 0.00 176.95 173.33 2jfd s ARG 504 N -2.11 2.77 0.00 3.25 3.03 -1.26 -2.37 118.95 122.26 2jfd s ARG 504 Ca -0.04 0.68 0.00 0.00 2.03 0.00 0.00 55.73 58.40 2jfd s ARG 504 Cb -0.00 -4.34 0.00 0.00 -1.03 0.00 0.00 34.95 29.57 2jfd s ARG 504 CO -0.00 -2.56 0.00 0.41 -1.13 0.00 0.00 175.30 172.02 2jfd n GLY 505 N 5.63 1.38 3.51 3.88 0.00 -1.26 -4.97 105.19 113.35 2jfd n GLY 505 Ca 0.20 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.70 2jfd n GLY 505 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jfd n MET 506 N -0.63 0.48 0.00 1.61 0.00 -1.00 -3.10 117.12 114.48 2jfd n MET 506 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 57.70 57.87 2jfd n MET 506 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 31.68 2jfd n MET 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jfd n GLY 507 N 1.84 2.61 0.16 3.03 0.00 -1.26 -4.78 105.19 106.79 2jfd n GLY 507 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 2jfd n GLY 507 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jfd h LEU 508 N 0.00 0.11 -0.33 0.99 4.07 -1.87 -0.41 115.31 117.86 2jfd h LEU 508 Ca 0.00 0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.04 2jfd h LEU 508 Cb 0.00 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 2jfd h LEU 508 CO 0.00 0.10 -0.20 -1.54 -1.08 0.00 0.00 178.44 175.72 2jfd n SER 509 N -5.04 -0.35 -0.19 -0.43 3.41 -1.26 -1.59 113.62 108.17 2jfd n SER 509 Ca 0.02 0.78 0.15 0.00 -0.26 0.00 0.00 58.87 59.55 2jfd n SER 509 Cb 0.15 -0.17 0.72 0.00 -0.26 0.00 0.00 64.21 64.66 2jfd n SER 509 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jfd n LEU 510 N -3.90 0.63 0.25 1.04 4.77 -0.44 -3.90 117.00 115.45 2jfd n LEU 510 Ca 0.01 -0.17 0.17 0.00 -0.03 0.00 0.00 56.01 55.98 2jfd n LEU 510 Cb 0.09 -0.04 0.72 0.00 -2.33 0.00 0.00 43.42 41.86 2jfd n LEU 510 CO -0.05 0.11 0.99 -0.03 -1.33 0.00 0.00 177.39 177.07 2jfd h MET 511 N 0.95 0.00 0.00 3.23 4.05 -0.11 -2.32 114.93 120.73 2jfd h MET 511 Ca 0.00 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2jfd h MET 511 Cb 0.26 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 2jfd h MET 511 CO 0.00 0.00 -0.14 0.00 0.23 0.00 0.00 176.91 177.00 2jfd h ARG 512 N 0.00 0.00 -6.45 0.39 3.08 -1.73 -3.36 114.38 106.30 2jfd h ARG 512 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2jfd h ARG 512 Cb 0.38 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 2jfd h ARG 512 CO 0.00 0.14 1.04 -0.51 -1.07 0.00 0.00 179.97 179.56 2jfd s LEU 513 N -7.53 3.71 0.23 3.04 1.43 -0.87 -4.90 118.68 113.79 2jfd s LEU 513 Ca -0.03 1.01 -0.10 0.00 -1.03 0.00 0.00 54.13 53.99 2jfd s LEU 513 Cb 0.14 -3.54 0.35 0.00 0.03 0.00 0.00 46.19 43.17 2jfd s LEU 513 CO 0.61 -1.29 1.63 0.44 0.23 0.00 0.00 176.35 177.97 2jfd h ASP 514 N 10.16 -0.44 -0.73 2.29 3.32 -1.82 0.25 116.42 129.46 2jfd h ASP 514 Ca -0.27 0.19 0.02 0.00 0.02 0.00 0.00 57.03 56.99 2jfd h ASP 514 Cb 1.10 0.36 -0.04 0.00 0.22 0.00 0.00 39.33 40.97 2jfd h ASP 514 CO 1.06 -0.19 0.48 -0.09 -1.72 0.00 0.00 179.24 178.79 2jfd h ARG 515 N 0.07 0.90 0.42 3.56 2.43 -1.91 0.52 114.38 120.38 2jfd h ARG 515 Ca 0.37 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.46 2jfd h ARG 515 Cb 0.61 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2jfd h ARG 515 CO -0.65 0.60 -0.20 0.35 -1.51 0.00 0.00 179.97 178.55 2jfd h PHE 516 N 0.93 -0.52 -0.71 2.20 3.57 -0.90 -1.70 116.94 119.80 2jfd h PHE 516 Ca 0.28 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.93 2jfd h PHE 516 Cb -0.01 0.17 -0.12 0.00 2.79 0.00 0.00 35.95 38.78 2jfd h PHE 516 CO -0.00 -0.20 0.00 -0.09 -2.23 0.00 0.00 178.31 175.79 2jfd h ARG 517 N -0.98 0.11 -0.96 1.11 2.43 -0.63 -0.66 114.38 114.80 2jfd h ARG 517 Ca -0.06 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2jfd h ARG 517 Cb 0.55 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 2jfd h ARG 517 CO 0.09 0.07 0.62 -0.44 -1.51 0.00 0.00 179.97 178.81 2jfd h ASP 518 N 0.11 1.02 -0.39 -3.80 3.32 0.10 -1.53 116.42 115.25 2jfd h ASP 518 Ca 0.38 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.41 2jfd h ASP 518 Cb 0.65 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2jfd h ASP 518 CO -0.62 0.68 0.15 -1.28 -1.72 0.00 0.00 179.24 176.45 2jfd h SER 519 N 1.17 0.55 -0.66 6.45 0.87 -0.18 -1.37 113.55 120.38 2jfd h SER 519 Ca 0.40 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 2jfd h SER 519 Cb 0.07 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 2jfd h SER 519 CO -0.14 0.58 0.20 0.40 -0.53 0.00 0.00 176.83 177.33 2jfd h ILE 520 N 0.49 1.25 -0.30 2.23 2.04 -0.83 0.18 117.51 122.58 2jfd h ILE 520 Ca 0.13 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 2jfd h ILE 520 Cb 0.21 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2jfd h ILE 520 CO -0.01 0.34 0.14 -0.07 0.00 0.00 0.00 178.15 178.55 2jfd h LEU 521 N 0.96 0.40 -1.69 1.44 3.38 -1.26 0.15 115.31 118.68 2jfd h LEU 521 Ca 0.21 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2jfd h LEU 521 Cb 0.31 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2jfd h LEU 521 CO -0.00 0.42 0.35 -0.09 0.09 0.00 0.00 178.44 179.21 2jfd h ARG 522 N 0.35 0.35 -0.11 1.13 2.43 -0.85 -0.60 114.38 117.08 2jfd h ARG 522 Ca 0.10 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 59.03 2jfd h ARG 522 Cb 0.14 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2jfd h ARG 522 CO -0.01 0.23 -0.81 0.77 -1.51 0.00 0.00 179.97 178.64 2jfd h SER 523 N 0.36 0.80 -0.99 -3.80 0.02 -0.16 -3.03 113.55 106.75 2jfd h SER 523 Ca 0.24 -0.54 0.16 0.00 -0.84 0.00 0.00 61.79 60.81 2jfd h SER 523 Cb 0.47 -0.24 -0.10 0.00 0.14 0.00 0.00 62.40 62.68 2jfd h SER 523 CO -0.06 1.33 0.60 0.44 -1.14 0.00 0.00 176.83 178.00 2jfd h ASP 524 N 0.44 0.82 -0.68 3.07 3.45 0.78 -1.43 116.42 122.86 2jfd h ASP 524 Ca -0.06 0.08 0.11 0.00 0.43 0.00 0.00 57.03 57.59 2jfd h ASP 524 Cb 1.43 -0.08 -0.08 0.00 -0.56 0.00 0.00 39.33 40.04 2jfd h ASP 524 CO 0.16 0.35 0.27 -0.33 -1.57 0.00 0.00 179.24 178.12 2jfd h GLU 525 N 0.84 0.43 0.00 3.56 5.08 -1.18 0.35 114.58 123.67 2jfd h GLU 525 Ca 0.54 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.84 2jfd h GLU 525 Cb 0.72 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2jfd h GLU 525 CO -0.34 0.29 -0.16 0.00 -1.00 0.00 0.00 179.01 177.80 2jfd h ALA 526 N 1.48 1.61 -0.31 3.43 0.00 -1.28 -2.95 119.26 121.23 2jfd h ALA 526 Ca 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jfd h ALA 526 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jfd h ALA 526 CO -0.34 0.20 0.00 0.28 0.00 0.00 0.00 179.25 179.39 2jfd n VAL 527 N -4.17 2.23 0.05 0.00 0.31 -0.15 -4.59 118.33 112.01 2jfd n VAL 527 Ca -0.02 -1.74 -0.11 0.00 -0.01 0.00 0.00 64.34 62.46 2jfd n VAL 527 Cb 0.24 -0.19 -0.05 0.00 -0.91 0.00 0.00 33.84 32.93 2jfd n VAL 527 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2jfd h LYS 528 N 2.14 -0.26 -7.25 5.55 -0.00 -0.20 -2.56 116.57 113.99 2jfd h LYS 528 Ca 0.00 0.02 -0.44 0.00 -0.00 0.00 0.00 60.65 60.22 2jfd h LYS 528 Cb 1.45 0.06 0.19 0.00 -0.00 0.00 0.00 32.23 33.93 2jfd h LYS 528 CO 0.24 -0.17 0.10 -1.25 -0.00 0.00 0.00 179.45 178.36 2jfd s PRO 529 N -6.13 -0.31 0.00 0.07 0.04 -1.26 -2.22 135.00 125.19 2jfd s PRO 529 Ca -0.15 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.56 2jfd s PRO 529 Cb 0.09 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.99 2jfd s PRO 529 CO 0.66 -3.27 0.00 1.19 0.04 0.00 0.00 177.00 175.62 2jfd n PHE 530 N -4.57 0.00 -3.69 0.56 3.72 -1.26 -4.11 117.46 108.11 2jfd n PHE 530 Ca 0.04 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.19 2jfd n PHE 530 Cb 0.56 -1.31 0.00 0.00 -0.94 0.00 0.00 39.48 37.79 2jfd n PHE 530 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jfd n GLY 531 N -0.93 -1.02 2.88 1.37 0.00 -0.94 -4.99 105.19 101.55 2jfd n GLY 531 Ca 0.00 0.46 -0.19 0.00 0.00 0.00 0.00 46.02 46.29 2jfd n GLY 531 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfd s LEU 532 N -5.04 1.33 -0.42 0.99 1.43 -0.96 -5.08 118.68 110.93 2jfd s LEU 532 Ca 0.09 -0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.03 2jfd s LEU 532 Cb -0.05 -0.39 0.11 0.00 0.03 0.00 0.00 46.19 45.89 2jfd s LEU 532 CO 0.77 -0.06 0.24 -1.59 0.23 0.00 0.00 176.35 175.93 2jfd s LYS 533 N 0.87 2.22 0.29 1.70 0.00 -1.26 -4.20 119.74 119.36 2jfd s LYS 533 Ca -0.11 -1.73 0.04 0.00 0.00 0.00 0.00 55.97 54.17 2jfd s LYS 533 Cb -0.14 -3.67 0.71 0.00 0.00 0.00 0.00 37.83 34.73 2jfd s LYS 533 CO -0.00 -1.06 1.74 0.28 0.00 0.00 0.00 175.35 176.30 2jfd h VAL 534 N 6.28 0.60 0.22 1.79 2.07 -1.91 1.05 116.25 126.36 2jfd h VAL 534 Ca -0.17 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 2jfd h VAL 534 Cb 1.06 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2jfd h VAL 534 CO 0.74 0.11 -0.16 0.77 0.02 0.00 0.00 177.57 179.04 2jfd h SER 535 N 0.58 -0.42 -0.97 0.57 4.64 -1.93 0.21 113.55 116.23 2jfd h SER 535 Ca 0.56 0.03 0.14 0.00 -0.47 0.00 0.00 61.79 62.04 2jfd h SER 535 Cb 0.95 0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 63.10 2jfd h SER 535 CO -0.44 -0.26 0.61 1.56 -0.87 0.00 0.00 176.83 177.43 2jfd h GLN 536 N -0.39 0.84 -0.13 4.77 7.50 -0.73 0.84 115.11 127.81 2jfd h GLN 536 Ca -0.01 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.09 2jfd h GLN 536 Cb 0.34 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.68 2jfd h GLN 536 CO -0.00 0.56 0.08 -0.07 -1.50 0.00 0.00 178.83 177.90 2jfd h LEU 537 N 0.87 0.16 -0.13 1.46 3.38 0.18 0.39 115.31 121.60 2jfd h LEU 537 Ca 0.49 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.37 2jfd h LEU 537 Cb 0.61 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2jfd h LEU 537 CO -0.26 0.14 -0.16 -0.07 0.09 0.00 0.00 178.44 178.19 2jfd h LEU 538 N 0.16 0.37 -1.01 1.67 3.38 0.54 -2.85 115.31 117.56 2jfd h LEU 538 Ca 0.05 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2jfd h LEU 538 Cb 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2jfd h LEU 538 CO -0.01 0.79 0.00 -0.07 0.09 0.00 0.00 178.44 179.24 2jfd h LEU 539 N -0.05 0.00-10.02 1.67 3.38 0.78 -3.41 115.31 107.66 2jfd h LEU 539 Ca 0.02 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.51 2jfd h LEU 539 Cb 0.70 0.00 0.22 0.00 0.09 0.00 0.00 40.66 41.67 2jfd h LEU 539 CO 0.04 0.00 -0.26 -1.54 0.09 0.00 0.00 178.44 176.77 2jfd n SER 540 N -2.30 -1.40 -1.25 -0.43 3.41 0.13 -4.99 113.62 106.80 2jfd n SER 540 Ca 0.01 0.07 0.03 0.00 -0.26 0.00 0.00 58.87 58.72 2jfd n SER 540 Cb 0.17 -1.25 0.02 0.00 -0.26 0.00 0.00 64.21 62.89 2jfd n SER 540 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jfd n THR 541 N -4.48 0.01 -3.42 6.66 -2.24 -1.26 -4.76 114.28 104.79 2jfd n THR 541 Ca 0.05 -0.76 -0.38 0.00 -2.27 0.00 0.00 64.05 60.70 2jfd n THR 541 Cb 0.55 0.87 -0.07 0.00 -2.10 0.00 0.00 70.33 69.58 2jfd n THR 541 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jfd s ASP 542 N -1.76 6.43 0.60 3.42 1.11 -1.26 -4.97 116.67 120.25 2jfd s ASP 542 Ca 0.26 0.51 0.37 0.00 0.18 0.00 0.00 52.55 53.86 2jfd s ASP 542 Cb 0.29 -2.22 1.90 0.00 1.07 0.00 0.00 42.92 43.97 2jfd s ASP 542 CO -0.13 -0.04 2.20 -0.33 1.18 0.00 0.00 175.17 178.06 2jfd h GLU 543 N 7.24 0.00 -0.02 8.23 4.39 -2.01 -1.34 114.58 131.07 2jfd h GLU 543 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2jfd h GLU 543 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2jfd h GLU 543 CO 0.72 0.03 -0.16 -1.13 -1.16 0.00 0.00 179.01 177.31 2jfd n SER 544 N -3.28 1.88 -0.28 1.42 3.41 -1.26 -4.56 113.62 110.94 2jfd n SER 544 Ca -0.02 -1.49 0.05 0.00 -0.26 0.00 0.00 58.87 57.15 2jfd n SER 544 Cb 0.17 0.13 0.19 0.00 -0.26 0.00 0.00 64.21 64.43 2jfd n SER 544 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jfd h THR 545 N 2.71 0.80 -0.56 6.66 1.03 -1.65 -0.30 112.91 121.59 2jfd h THR 545 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 66.41 66.17 2jfd h THR 545 Cb 0.68 0.08 0.00 0.00 -1.07 0.00 0.00 68.15 67.84 2jfd h THR 545 CO 0.00 0.12 0.00 0.49 -0.01 0.00 0.00 175.52 176.12 2jfd n PHE 546 N -4.84 0.99 0.21 0.00 0.99 -1.26 -3.73 117.46 109.82 2jfd n PHE 546 Ca 0.15 -0.44 0.09 0.00 -0.00 0.00 0.00 57.45 57.25 2jfd n PHE 546 Cb 0.36 -0.10 0.39 0.00 -1.00 0.00 0.00 39.48 39.13 2jfd n PHE 546 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 2jfd h ASP 547 N 3.38 0.00 -3.28 4.37 3.32 -1.34 -3.42 116.42 119.46 2jfd h ASP 547 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2jfd h ASP 547 Cb 1.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.57 2jfd h ASP 547 CO 0.09 0.27 0.62 -0.62 -1.72 0.00 0.00 179.24 177.88 2jfd s ASP 548 N -6.25 6.97 0.16 6.45 -1.08 -1.24 -4.96 116.67 116.72 2jfd s ASP 548 Ca 0.01 2.25 -0.10 0.00 -0.52 0.00 0.00 52.55 54.19 2jfd s ASP 548 Cb 0.10 -2.60 -0.00 0.00 -1.46 0.00 0.00 42.92 38.96 2jfd s ASP 548 CO 0.65 -0.50 1.54 -0.29 0.52 0.00 0.00 175.17 177.09 2jfd h ILE 549 N 4.02 1.27 -0.30 4.11 2.10 -1.91 -2.46 117.51 124.34 2jfd h ILE 549 Ca -0.43 -1.41 -0.08 0.00 1.08 0.00 0.00 64.86 64.01 2jfd h ILE 549 Cb 1.21 1.16 -0.01 0.00 -1.09 0.00 0.00 36.82 38.09 2jfd h ILE 549 CO 0.79 0.49 -0.13 0.58 -1.08 0.00 0.00 178.15 178.80 2jfd h VAL 550 N 0.85 1.29 -0.15 2.19 2.07 -1.91 -0.29 116.25 120.30 2jfd h VAL 550 Ca 0.10 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.44 2jfd h VAL 550 Cb 0.83 1.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.97 2jfd h VAL 550 CO 0.07 0.39 -0.49 0.45 0.02 0.00 0.00 177.57 178.01 2jfd h HIS 551 N 0.38 -1.45 0.72 1.57 3.86 -1.87 -1.37 115.15 116.98 2jfd h HIS 551 Ca 0.07 0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 2jfd h HIS 551 Cb 0.65 0.65 -0.01 0.00 1.06 0.00 0.00 27.41 29.76 2jfd h HIS 551 CO 0.06 -0.52 -0.48 0.77 0.86 0.00 0.00 177.93 178.62 2jfd h SER 552 N -0.54 -1.24 -0.58 2.45 0.02 -1.33 -1.43 113.55 110.89 2jfd h SER 552 Ca 0.05 0.08 0.10 0.00 -0.84 0.00 0.00 61.79 61.18 2jfd h SER 552 Cb 0.66 0.37 -0.11 0.00 0.14 0.00 0.00 62.40 63.46 2jfd h SER 552 CO -0.43 -0.72 -0.35 -0.26 -1.14 0.00 0.00 176.83 173.93 2jfd h PHE 553 N -1.14 -0.97 -0.13 3.45 -1.00 -0.94 0.31 116.94 116.52 2jfd h PHE 553 Ca -0.09 0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.76 2jfd h PHE 553 Cb 0.93 0.51 -0.01 0.00 3.61 0.00 0.00 35.95 40.99 2jfd h PHE 553 CO -0.14 -0.39 0.09 0.28 -1.61 0.00 0.00 178.31 176.54 2jfd h VAL 554 N -0.18 1.05 -0.48 -0.55 2.07 -1.23 -2.00 116.25 114.92 2jfd h VAL 554 Ca 0.22 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 2jfd h VAL 554 Cb 0.55 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2jfd h VAL 554 CO -0.67 0.04 0.26 0.28 0.02 0.00 0.00 177.57 177.50 2jfd h SER 555 N 0.17 0.60 0.09 0.57 0.02 -0.10 0.31 113.55 115.20 2jfd h SER 555 Ca 0.05 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2jfd h SER 555 Cb -0.00 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 2jfd h SER 555 CO -0.01 0.52 -0.35 0.25 -1.14 0.00 0.00 176.83 176.11 2jfd h LEU 556 N 0.64 -1.02 -0.52 5.07 5.85 -0.35 -1.88 115.31 123.10 2jfd h LEU 556 Ca 0.17 0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.03 2jfd h LEU 556 Cb 0.05 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2jfd h LEU 556 CO -0.03 -0.42 0.31 0.74 -0.34 0.00 0.00 178.44 178.70 2jfd h THR 557 N -0.55 1.05 -0.43 1.05 2.02 -0.94 -1.49 112.91 113.62 2jfd h THR 557 Ca 0.04 -0.21 0.08 0.00 0.77 0.00 0.00 66.41 67.09 2jfd h THR 557 Cb 0.60 0.38 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 2jfd h THR 557 CO -0.23 0.11 0.01 0.00 0.37 0.00 0.00 175.52 175.78 2jfd h ALA 558 N 1.23 0.40 -0.48 6.16 0.00 -0.23 -1.84 119.26 124.51 2jfd h ALA 558 Ca 0.21 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2jfd h ALA 558 Cb 0.03 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jfd h ALA 558 CO -0.10 -0.39 -0.03 0.82 0.00 0.00 0.00 179.25 179.56 2jfd h ILE 559 N 0.12 1.27 -0.64 0.00 2.04 -0.89 -0.85 117.51 118.55 2jfd h ILE 559 Ca 0.21 -1.11 0.09 0.00 1.00 0.00 0.00 64.86 65.05 2jfd h ILE 559 Cb 0.30 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 2jfd h ILE 559 CO -0.35 0.39 0.28 1.56 0.00 0.00 0.00 178.15 180.03 2jfd h GLN 560 N 0.71 0.47 -0.65 2.37 4.20 -0.94 0.13 115.11 121.40 2jfd h GLN 560 Ca 0.13 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.82 2jfd h GLN 560 Cb 0.55 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 2jfd h GLN 560 CO 0.03 0.31 0.43 0.82 -0.67 0.00 0.00 178.83 179.75 2jfd h ILE 561 N 0.49 1.17 0.05 2.54 2.04 -0.73 0.22 117.51 123.29 2jfd h ILE 561 Ca 0.32 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2jfd h ILE 561 Cb 0.36 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2jfd h ILE 561 CO -0.28 0.16 -0.04 1.23 0.00 0.00 0.00 178.15 179.22 2jfd h GLY 562 N 0.88 -0.09 0.55 5.37 0.00 -0.18 0.22 103.07 109.82 2jfd h GLY 562 Ca 0.24 0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.68 2jfd h GLY 562 CO -0.05 -0.04 0.22 1.41 0.00 0.00 0.00 176.54 178.08 2jfd h LEU 563 N -0.09 0.27 -0.75 3.11 3.38 -0.29 -0.24 115.31 120.69 2jfd h LEU 563 Ca -0.00 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2jfd h LEU 563 Cb 0.08 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2jfd h LEU 563 CO 0.00 0.18 0.49 0.40 0.09 0.00 0.00 178.44 179.60 2jfd h ILE 564 N 0.43 1.17 -0.49 1.22 2.04 -0.03 -1.45 117.51 120.40 2jfd h ILE 564 Ca 0.26 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2jfd h ILE 564 Cb 0.26 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 2jfd h ILE 564 CO -0.24 0.18 0.24 0.44 0.00 0.00 0.00 178.15 178.77 2jfd h ASP 565 N 1.00 0.65 -0.27 1.72 3.45 0.37 0.77 116.42 124.09 2jfd h ASP 565 Ca 0.28 -0.13 0.04 0.00 0.43 0.00 0.00 57.03 57.65 2jfd h ASP 565 Cb -0.08 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 38.48 2jfd h ASP 565 CO -0.07 0.60 0.04 -0.07 -1.57 0.00 0.00 179.24 178.17 2jfd h LEU 566 N 0.66 -0.01 -0.35 1.55 4.07 -0.58 -1.42 115.31 119.23 2jfd h LEU 566 Ca 0.17 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 58.17 2jfd h LEU 566 Cb 0.12 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 2jfd h LEU 566 CO -0.02 0.03 0.21 -0.07 -1.08 0.00 0.00 178.44 177.51 2jfd h LEU 567 N 0.14 0.43 -1.52 1.67 4.07 -0.83 -2.61 115.31 116.65 2jfd h LEU 567 Ca 0.13 -0.06 -0.05 0.00 0.08 0.00 0.00 57.88 57.98 2jfd h LEU 567 Cb 0.14 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 2jfd h LEU 567 CO -0.18 0.36 -0.25 0.77 -1.08 0.00 0.00 178.44 178.06 2jfd h SER 568 N 0.46 0.00 0.74 -0.43 4.64 -0.51 -2.45 113.55 115.99 2jfd h SER 568 Ca 0.13 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 2jfd h SER 568 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2jfd h SER 568 CO -0.02 0.25 -0.15 0.00 -0.87 0.00 0.00 176.83 176.03 2jfd n MET 570 N -3.41 1.83 -2.02 0.00 2.81 -0.94 -4.86 117.12 110.53 2jfd n MET 570 Ca -0.00 -1.17 -0.05 0.00 -1.81 0.00 0.00 57.70 54.66 2jfd n MET 570 Cb 0.34 -1.30 -0.00 0.00 -0.71 0.00 0.00 33.22 31.54 2jfd n MET 570 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jfd n GLY 571 N 0.93 0.21 3.56 3.03 0.00 0.59 -4.54 105.19 108.96 2jfd n GLY 571 Ca 0.11 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 2jfd n GLY 571 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfd s LEU 572 N -1.54 4.26 -0.30 0.99 1.43 -1.09 -5.02 118.68 117.40 2jfd s LEU 572 Ca 0.00 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 2jfd s LEU 572 Cb 0.00 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 2jfd s LEU 572 CO 0.00 -0.78 0.18 -0.13 0.23 0.00 0.00 176.35 175.85 2jfd s ARG 573 N 3.05 3.64 0.39 1.70 1.81 -1.26 -4.40 118.95 123.88 2jfd s ARG 573 Ca 0.28 -0.53 -0.26 0.00 -1.72 0.00 0.00 55.73 53.50 2jfd s ARG 573 Cb -0.13 -3.65 -0.09 0.00 -0.45 0.00 0.00 34.95 30.64 2jfd s ARG 573 CO 0.19 -0.32 1.21 -1.25 -0.68 0.00 0.00 175.30 174.45 2jfd s PRO 574 N 1.70 4.08 0.31 3.54 0.04 -1.26 -4.86 135.00 138.54 2jfd s PRO 574 Ca 0.06 1.94 0.20 0.00 0.04 0.00 0.00 61.00 63.24 2jfd s PRO 574 Cb -0.17 -2.74 0.14 0.00 0.04 0.00 0.00 34.50 31.77 2jfd s PRO 574 CO 0.09 -0.33 1.37 -0.44 0.04 0.00 0.00 177.00 177.73 2jfd h ASP 575 N 2.75 0.00 -5.00 6.66 3.32 -0.77 -3.47 116.42 119.91 2jfd h ASP 575 Ca -0.49 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 2jfd h ASP 575 Cb 1.24 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.59 2jfd h ASP 575 CO 0.63 0.21 0.04 -0.83 -1.72 0.00 0.00 179.24 177.57 2jfd s GLY 576 N -4.38 -0.44 -0.03 2.75 0.00 -1.12 -4.69 107.32 99.41 2jfd s GLY 576 Ca 0.04 1.00 0.01 0.00 0.00 0.00 0.00 44.72 45.76 2jfd s GLY 576 CO 0.73 0.69 -0.03 -0.42 0.00 0.00 0.00 173.10 174.07 2jfd s ILE 577 N -1.25 0.36 -0.04 0.90 1.01 -0.22 -1.25 121.20 120.72 2jfd s ILE 577 Ca -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 2jfd s ILE 577 Cb -0.02 -0.40 0.01 0.00 0.01 0.00 0.00 42.46 42.06 2jfd s ILE 577 CO 0.08 0.17 0.11 -0.69 0.00 0.00 0.00 174.94 174.61 2jfd s VAL 578 N 0.78 0.01 0.26 2.92 1.01 -0.52 -1.78 120.40 123.08 2jfd s VAL 578 Ca -0.09 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2jfd s VAL 578 Cb -0.12 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 36.03 2jfd s VAL 578 CO -0.01 -0.03 -0.05 -0.83 0.00 0.00 0.00 175.10 174.19 2jfd s GLY 579 N -0.04 1.73 -0.16 4.51 0.00 -1.26 -0.97 107.32 111.13 2jfd s GLY 579 Ca -0.01 -1.85 -0.00 0.00 0.00 0.00 0.00 44.72 42.85 2jfd s GLY 579 CO 0.00 -1.79 -0.08 -1.58 0.00 0.00 0.00 173.10 169.66 2jfd s HIS 580 N -3.12 1.88 0.00 1.90 2.46 0.29 -4.65 115.29 114.04 2jfd s HIS 580 Ca 0.29 -1.16 0.00 0.00 0.47 0.00 0.00 55.06 54.66 2jfd s HIS 580 Cb 0.04 -1.41 0.00 0.00 -0.13 0.00 0.00 32.58 31.09 2jfd s HIS 580 CO 0.11 -0.64 0.00 -1.13 -2.47 0.00 0.00 174.74 170.61 2jfd n SER 581 N 4.83 0.00 -0.26 9.88 3.41 -1.26 -0.43 113.62 129.79 2jfd n SER 581 Ca -0.13 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.65 2jfd n SER 581 Cb 0.48 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.89 2jfd n SER 581 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2jfd h LEU 582 N 0.00 0.51 -1.43 1.04 5.85 -1.93 0.96 115.31 120.31 2jfd h LEU 582 Ca 0.00 0.05 0.43 0.00 0.84 0.00 0.00 57.88 59.20 2jfd h LEU 582 Cb 0.00 -0.04 -0.12 0.00 0.37 0.00 0.00 40.66 40.86 2jfd h LEU 582 CO 0.00 0.21 0.86 1.23 -0.34 0.00 0.00 178.44 180.40 2jfd h GLY 583 N 0.51 1.23 1.90 3.75 0.00 -0.81 0.57 103.07 110.22 2jfd h GLY 583 Ca 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2jfd h GLY 583 CO -0.21 -0.36 0.04 0.83 0.00 0.00 0.00 176.54 176.84 2jfd h GLU 584 N 0.10 0.00 0.46 4.80 5.08 -0.97 -0.43 114.58 123.63 2jfd h GLU 584 Ca 0.80 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.14 2jfd h GLU 584 Cb 2.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.79 2jfd h GLU 584 CO -0.39 0.00 -0.22 0.28 -1.00 0.00 0.00 179.01 177.68 2jfd h VAL 585 N 0.00 0.00 -0.99 3.13 2.07 -0.03 -2.64 116.25 117.79 2jfd h VAL 585 Ca 0.00 -0.32 0.21 0.00 0.82 0.00 0.00 66.70 67.41 2jfd h VAL 585 Cb 0.08 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.76 2jfd h VAL 585 CO 0.00 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.21 2jfd h ALA 586 N -1.39 1.93 -0.50 1.67 0.00 -1.39 0.21 119.26 119.79 2jfd h ALA 586 Ca -0.06 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2jfd h ALA 586 Cb 0.48 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2jfd h ALA 586 CO 0.10 -0.30 0.23 0.00 0.00 0.00 0.00 179.25 179.29 2jfd h GLY 588 N 0.45 0.66 0.93 0.00 0.00 -0.21 0.55 103.07 105.45 2jfd h GLY 588 Ca 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.53 2jfd h GLY 588 CO -0.18 -0.06 0.14 -1.82 0.00 0.00 0.00 176.54 174.62 2jfd h TYR 589 N 0.27 0.27 -0.70 5.60 3.20 -0.91 0.48 116.97 125.18 2jfd h TYR 589 Ca 0.26 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 2jfd h TYR 589 Cb 0.35 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 2jfd h TYR 589 CO -0.22 0.16 0.35 0.00 -1.64 0.00 0.00 178.16 176.81 2jfd h ALA 590 N 1.12 1.30 0.00 1.82 0.00 0.41 -1.32 119.26 122.58 2jfd h ALA 590 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jfd h ALA 590 Cb 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2jfd h ALA 590 CO -0.05 0.55 0.00 -3.47 0.00 0.00 0.00 179.25 176.28 2jfd n ASP 591 N -4.34 0.06 -2.10 0.00 4.64 0.18 -4.87 116.55 110.12 2jfd n ASP 591 Ca 0.07 0.51 -0.13 0.00 -1.38 0.00 0.00 54.79 53.86 2jfd n ASP 591 Cb 0.12 -0.53 0.04 0.00 -1.04 0.00 0.00 41.12 39.71 2jfd n ASP 591 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2jfd n GLY 592 N 0.50 0.08 0.12 0.27 0.00 -0.50 -4.87 105.19 100.80 2jfd n GLY 592 Ca 0.05 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 2jfd n GLY 592 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jfd s LEU 594 N -7.70 4.34 0.64 0.00 1.43 -1.01 -4.43 118.68 111.96 2jfd s LEU 594 Ca -0.34 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 2jfd s LEU 594 Cb 0.10 -2.95 0.05 0.00 0.03 0.00 0.00 46.19 43.42 2jfd s LEU 594 CO 0.52 0.08 0.92 -0.94 0.23 0.00 0.00 176.35 177.16 2jfd s SER 595 N -2.99 5.06 0.10 2.29 1.04 -1.26 -4.12 113.70 113.82 2jfd s SER 595 Ca 0.35 0.34 -0.24 0.00 0.48 0.00 0.00 55.95 56.88 2jfd s SER 595 Cb -0.12 -1.11 -0.10 0.00 0.10 0.00 0.00 66.02 64.79 2jfd s SER 595 CO 0.28 -1.38 1.70 -0.61 0.98 0.00 0.00 173.24 174.21 2jfd h GLN 596 N -0.33 -0.16 0.16 4.02 4.15 -1.98 0.22 115.11 121.20 2jfd h GLN 596 Ca -0.44 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.01 2jfd h GLN 596 Cb 1.30 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.99 2jfd h GLN 596 CO 0.58 -0.11 -0.38 0.93 -1.93 0.00 0.00 178.83 177.92 2jfd h GLU 597 N -0.16 -0.62 -0.03 1.69 5.08 -1.95 0.26 114.58 118.85 2jfd h GLU 597 Ca 0.03 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2jfd h GLU 597 Cb 0.19 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 2jfd h GLU 597 CO -0.07 -0.42 -0.35 0.93 -1.00 0.00 0.00 179.01 178.10 2jfd h GLU 598 N -0.65 -0.47 -0.94 2.33 5.08 -1.85 -2.35 114.58 115.73 2jfd h GLU 598 Ca 0.02 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2jfd h GLU 598 Cb 0.66 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 2jfd h GLU 598 CO -0.20 -0.31 0.58 0.00 -1.00 0.00 0.00 179.01 178.08 2jfd h ALA 599 N 0.21 1.24 -0.65 3.43 0.00 -0.28 -1.39 119.26 121.81 2jfd h ALA 599 Ca 0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2jfd h ALA 599 Cb 0.59 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2jfd h ALA 599 CO -0.30 0.66 0.10 0.28 0.00 0.00 0.00 179.25 179.99 2jfd h VAL 600 N 1.30 1.26 -0.09 0.00 2.07 -0.61 -2.52 116.25 117.66 2jfd h VAL 600 Ca 0.34 -1.04 -0.15 0.00 0.82 0.00 0.00 66.70 66.67 2jfd h VAL 600 Cb -0.07 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2jfd h VAL 600 CO -0.07 0.39 -0.61 -0.07 0.02 0.00 0.00 177.57 177.24 2jfd h LEU 601 N 1.01 0.36 -0.75 2.57 3.38 -1.06 -1.95 115.31 118.87 2jfd h LEU 601 Ca 0.20 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.06 2jfd h LEU 601 Cb 0.44 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 2jfd h LEU 601 CO 0.01 0.88 0.38 0.00 0.09 0.00 0.00 178.44 179.80 2jfd h ALA 602 N 1.13 1.04 -0.42 1.53 0.00 -1.02 0.16 119.26 121.68 2jfd h ALA 602 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jfd h ALA 602 Cb 1.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2jfd h ALA 602 CO 0.10 -0.02 0.27 0.00 0.00 0.00 0.00 179.25 179.60 2jfd h ALA 603 N 1.45 0.54 0.75 0.00 0.00 -1.07 -2.59 119.26 118.33 2jfd h ALA 603 Ca 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 2jfd h ALA 603 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jfd h ALA 603 CO -0.27 -0.03 -0.48 -0.92 0.00 0.00 0.00 179.25 177.54 2jfd h TYR 604 N 0.55 -1.30 -0.11 0.00 3.20 -0.34 -2.17 116.97 116.81 2jfd h TYR 604 Ca 0.16 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 2jfd h TYR 604 Cb -0.04 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2jfd h TYR 604 CO -0.05 -0.72 0.05 -1.49 -1.64 0.00 0.00 178.16 174.31 2jfd h TRP 605 N -1.17 0.16 -0.87 -3.82 4.06 -0.77 0.52 115.95 114.06 2jfd h TRP 605 Ca -0.10 -0.01 0.21 0.00 2.06 0.00 0.00 58.89 61.06 2jfd h TRP 605 Cb 0.94 -0.05 -0.16 0.00 -1.00 0.00 0.00 29.16 28.90 2jfd h TRP 605 CO -0.12 0.22 0.01 -0.09 -3.56 0.00 0.00 178.44 174.91 2jfd h ARG 606 N 0.05 0.07 -0.25 0.49 2.43 -1.53 0.57 114.38 116.20 2jfd h ARG 606 Ca 0.04 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 2jfd h ARG 606 Cb 0.13 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2jfd h ARG 606 CO -0.00 0.05 -0.06 0.78 -1.51 0.00 0.00 179.97 179.22 2jfd h GLY 607 N 0.07 0.52 0.73 2.80 0.00 -0.36 -3.14 103.07 103.68 2jfd h GLY 607 Ca 0.50 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 2jfd h GLY 607 CO -0.79 0.40 -0.19 -1.61 0.00 0.00 0.00 176.54 174.35 2jfd h GLN 608 N 0.23 0.35 -0.67 4.80 5.75 0.21 -1.52 115.11 124.26 2jfd h GLN 608 Ca 0.06 -0.21 0.13 0.00 -0.15 0.00 0.00 58.65 58.49 2jfd h GLN 608 Cb 0.53 0.02 -0.09 0.00 1.07 0.00 0.00 27.48 29.00 2jfd h GLN 608 CO 0.02 0.78 0.18 0.00 -2.65 0.00 0.00 178.83 177.17 2jfd h ILE 610 N 0.30 0.03 -0.69 0.00 2.04 -1.48 -1.97 117.51 115.75 2jfd h ILE 610 Ca 0.36 -0.01 0.13 0.00 1.00 0.00 0.00 64.86 66.34 2jfd h ILE 610 Cb 0.56 0.04 -0.13 0.00 -0.74 0.00 0.00 36.82 36.54 2jfd h ILE 610 CO -0.43 0.00 -0.24 0.50 0.00 0.00 0.00 178.15 177.98 2jfd h LYS 611 N -1.32 -0.05 -0.59 2.37 3.64 -0.79 0.15 116.57 119.98 2jfd h LYS 611 Ca -0.13 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2jfd h LYS 611 Cb 1.00 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 2jfd h LYS 611 CO 0.22 -0.04 0.35 0.93 -2.27 0.00 0.00 179.45 178.65 2jfd h GLU 612 N -0.06 0.80 -0.77 1.90 5.08 -0.96 -3.19 114.58 117.38 2jfd h GLU 612 Ca 0.31 -0.07 0.13 0.00 -1.00 0.00 0.00 59.36 58.73 2jfd h GLU 612 Cb 0.54 -0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 2jfd h GLU 612 CO -0.73 0.56 0.36 0.00 -1.00 0.00 0.00 179.01 178.21 2jfd h ALA 613 N 1.58 1.10 -5.99 3.43 0.00 0.12 -3.47 119.26 116.02 2jfd h ALA 613 Ca 0.21 0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.91 2jfd h ALA 613 Cb -0.03 0.01 0.06 0.00 0.00 0.00 0.00 17.79 17.83 2jfd h ALA 613 CO -0.04 -0.12 -0.69 0.72 0.00 0.00 0.00 179.25 179.12 2jfd n HIS 614 N -4.91 -2.31 -2.05 0.00 8.25 -1.21 -5.00 115.22 108.00 2jfd n HIS 614 Ca 0.14 0.77 -0.28 0.00 -0.26 0.00 0.00 57.72 58.08 2jfd n HIS 614 Cb 0.37 -3.59 0.06 0.00 1.12 0.00 0.00 29.99 27.95 2jfd n HIS 614 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jfd s LEU 615 N -5.36 2.88 1.28 2.41 2.01 -1.26 -5.07 118.68 115.56 2jfd s LEU 615 Ca 0.25 0.87 -0.16 0.00 0.01 0.00 0.00 54.13 55.09 2jfd s LEU 615 Cb -0.08 -3.58 0.32 0.00 0.01 0.00 0.00 46.19 42.86 2jfd s LEU 615 CO 0.82 -1.44 0.92 -0.81 1.01 0.00 0.00 176.35 176.85 2jfd n PRO 616 N -2.97 -3.26 -2.48 1.29 -0.04 -1.26 -4.91 135.00 121.37 2jfd n PRO 616 Ca 0.07 -0.94 -0.43 0.00 -0.04 0.00 0.00 63.50 62.16 2jfd n PRO 616 Cb 0.59 -2.06 -0.02 0.00 -0.04 0.00 0.00 33.50 31.96 2jfd n PRO 616 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2jfd s PRO 617 N -4.51 4.05 0.24 0.54 0.04 -1.26 -4.95 135.00 129.15 2jfd s PRO 617 Ca 0.68 1.34 0.03 0.00 0.04 0.00 0.00 61.00 63.08 2jfd s PRO 617 Cb -0.21 -3.81 0.03 0.00 0.04 0.00 0.00 34.50 30.55 2jfd s PRO 617 CO 0.63 -0.93 0.23 0.41 0.04 0.00 0.00 177.00 177.38 2jfd n GLY 618 N 3.97 2.64 3.58 0.56 0.00 0.45 -1.73 105.19 114.66 2jfd n GLY 618 Ca 0.14 -2.21 -0.06 0.00 0.00 0.00 0.00 46.02 43.89 2jfd n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jfd s ALA 619 N -2.33 -2.00 0.08 4.61 0.00 0.10 -3.38 121.76 118.84 2jfd s ALA 619 Ca 0.17 1.49 0.01 0.00 0.00 0.00 0.00 51.96 53.64 2jfd s ALA 619 Cb -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2jfd s ALA 619 CO 0.11 -0.55 -0.06 -1.64 0.00 0.00 0.00 175.76 173.62 2jfd s MET 620 N -2.28 0.76 -0.22 0.00 -1.94 -1.25 -1.65 119.30 112.71 2jfd s MET 620 Ca 0.07 -1.25 -0.18 0.00 -1.71 0.00 0.00 55.69 52.62 2jfd s MET 620 Cb -0.01 -0.15 0.06 0.00 2.01 0.00 0.00 34.83 36.74 2jfd s MET 620 CO -0.05 -0.02 0.58 0.00 -0.01 0.00 0.00 175.02 175.51 2jfd s ALA 621 N -3.39 -1.45 0.11 3.03 0.00 -0.79 -1.58 121.76 117.69 2jfd s ALA 621 Ca 0.08 1.73 -0.29 0.00 0.00 0.00 0.00 51.96 53.48 2jfd s ALA 621 Cb 0.04 -1.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.08 2jfd s ALA 621 CO -0.05 -0.29 0.93 0.00 0.00 0.00 0.00 175.76 176.35 2jfd s ALA 622 N 0.61 3.27 -0.01 0.00 0.00 -0.52 -0.46 121.76 124.64 2jfd s ALA 622 Ca -0.02 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.48 2jfd s ALA 622 Cb -0.05 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.86 2jfd s ALA 622 CO -0.03 0.01 0.01 0.08 0.00 0.00 0.00 175.76 175.82 2jfd s VAL 623 N -0.12 0.02 -0.15 0.00 1.01 0.40 -1.51 120.40 120.06 2jfd s VAL 623 Ca 0.45 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.51 2jfd s VAL 623 Cb -0.23 -0.08 0.14 0.00 0.00 0.00 0.00 36.38 36.20 2jfd s VAL 623 CO 0.29 0.06 1.67 0.61 0.00 0.00 0.00 175.10 177.72 2jfd n GLY 624 N 3.60 3.04 3.91 4.51 0.00 -0.70 -1.05 105.19 118.50 2jfd n GLY 624 Ca -0.20 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 2jfd n GLY 624 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jfd s LEU 625 N -0.91 3.84 0.80 0.99 2.34 -1.25 -4.77 118.68 119.71 2jfd s LEU 625 Ca 0.16 -0.29 -0.11 0.00 0.06 0.00 0.00 54.13 53.95 2jfd s LEU 625 Cb 0.13 -2.49 0.07 0.00 -0.56 0.00 0.00 46.19 43.33 2jfd s LEU 625 CO 0.01 -0.30 1.09 -0.94 -1.06 0.00 0.00 176.35 175.15 2jfd s SER 626 N -4.03 4.44 0.20 1.48 1.04 -1.26 -3.70 113.70 111.87 2jfd s SER 626 Ca 0.40 1.45 -0.11 0.00 0.48 0.00 0.00 55.95 58.16 2jfd s SER 626 Cb -0.08 -2.19 0.14 0.00 0.10 0.00 0.00 66.02 64.00 2jfd s SER 626 CO 0.28 -2.02 1.85 -0.25 0.98 0.00 0.00 173.24 174.08 2jfd h TRP 627 N -1.12 0.81 -0.11 5.02 2.91 -1.89 0.34 115.95 121.91 2jfd h TRP 627 Ca -0.47 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.56 2jfd h TRP 627 Cb 1.26 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 29.63 2jfd h TRP 627 CO 0.49 0.49 0.00 0.93 -1.03 0.00 0.00 178.44 179.33 2jfd h GLU 628 N 0.86 0.19 -0.93 2.65 4.39 -1.94 0.67 114.58 120.47 2jfd h GLU 628 Ca 0.25 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.98 2jfd h GLU 628 Cb -0.05 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.51 2jfd h GLU 628 CO -0.08 0.43 0.58 1.05 -1.16 0.00 0.00 179.01 179.83 2jfd h GLU 629 N -0.07 0.96 0.28 2.33 9.09 -1.88 -0.32 114.58 124.96 2jfd h GLU 629 Ca 0.03 -0.06 -0.01 0.00 0.05 0.00 0.00 59.36 59.37 2jfd h GLU 629 Cb 0.34 -0.22 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 2jfd h GLU 629 CO 0.00 0.64 -0.13 0.00 0.05 0.00 0.00 179.01 179.57 2jfd h LYS 631 N -0.40 -0.11 0.12 0.00 1.57 -0.18 -2.17 116.57 115.41 2jfd h LYS 631 Ca -0.04 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2jfd h LYS 631 Cb 0.30 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2jfd h LYS 631 CO 0.06 -0.07 -0.06 1.96 -0.57 0.00 0.00 179.45 180.77 2jfd h GLN 632 N -0.12 -0.16 -0.03 3.15 7.50 -0.78 -3.27 115.11 121.40 2jfd h GLN 632 Ca 0.23 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.40 2jfd h GLN 632 Cb 0.48 0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.05 2jfd h GLN 632 CO -0.58 0.14 0.00 0.54 -1.50 0.00 0.00 178.83 177.43 2jfd n ARG 633 N -5.03 1.10 -2.74 1.46 3.00 0.98 -4.87 116.66 110.56 2jfd n ARG 633 Ca -0.09 -0.15 -0.42 0.00 -0.01 0.00 0.00 57.85 57.19 2jfd n ARG 633 Cb 0.20 -1.19 -0.03 0.00 0.00 0.00 0.00 32.46 31.44 2jfd n ARG 633 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jfd s PRO 635 N 1.18 1.59 0.27 0.00 0.04 -1.26 -4.94 135.00 131.88 2jfd s PRO 635 Ca 0.50 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 2jfd s PRO 635 Cb -0.20 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 2jfd s PRO 635 CO 0.25 -2.16 1.38 -2.14 0.04 0.00 0.00 177.00 174.38 2jfd s PRO 636 N -4.78 4.31 0.00 0.56 0.02 -1.26 -2.11 135.00 131.73 2jfd s PRO 636 Ca 0.64 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.90 2jfd s PRO 636 Cb -0.20 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.21 2jfd s PRO 636 CO 0.57 -0.33 0.00 0.41 -0.33 0.00 0.00 177.00 177.32 2jfd n GLY 637 N 1.79 2.31 3.38 0.52 0.00 -1.26 -5.01 105.19 106.92 2jfd n GLY 637 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2jfd n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfd s VAL 638 N -2.29 3.79 0.19 1.61 1.01 -0.90 -4.23 120.40 119.58 2jfd s VAL 638 Ca 0.00 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 61.73 2jfd s VAL 638 Cb 0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2jfd s VAL 638 CO 0.00 0.39 -0.20 0.68 0.00 0.00 0.00 175.10 175.97 2jfd s VAL 639 N 1.46 2.05 0.18 2.92 -7.23 -0.06 -4.44 120.40 115.27 2jfd s VAL 639 Ca 0.05 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 57.89 2jfd s VAL 639 Cb -0.15 -1.99 -0.08 0.00 0.56 0.00 0.00 36.38 34.72 2jfd s VAL 639 CO -0.00 -0.28 1.32 -2.84 -0.31 0.00 0.00 175.10 172.98 2jfd s PRO 640 N -2.90 4.38 -0.04 4.82 0.02 -1.26 0.15 135.00 140.18 2jfd s PRO 640 Ca 0.19 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.25 2jfd s PRO 640 Cb -0.06 -3.21 -0.02 0.00 0.02 0.00 0.00 34.50 31.23 2jfd s PRO 640 CO 0.09 -0.28 -0.04 0.00 -0.33 0.00 0.00 177.00 176.43 2jfd n ALA 641 N 2.92 2.47 -3.64 -1.55 0.00 0.10 -4.85 120.51 115.96 2jfd n ALA 641 Ca 0.07 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 2jfd n ALA 641 Cb 0.43 0.44 -0.17 0.00 0.00 0.00 0.00 19.45 20.15 2jfd n ALA 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jfd s HIS 643 N 0.99 3.57 -0.08 0.00 2.46 0.02 -1.10 115.29 121.16 2jfd s HIS 643 Ca -0.07 -2.04 -0.24 0.00 0.47 0.00 0.00 55.06 53.18 2jfd s HIS 643 Cb -0.15 -4.18 -0.20 0.00 -0.13 0.00 0.00 32.58 27.92 2jfd s HIS 643 CO -0.01 -1.30 0.91 -0.91 -2.47 0.00 0.00 174.74 170.95 2jfd h ASN 644 N 7.54 -0.05 -3.65 9.88 2.35 -1.78 0.27 115.58 130.13 2jfd h ASN 644 Ca 0.23 -0.62 -0.28 0.00 -0.55 0.00 0.00 56.30 55.08 2jfd h ASN 644 Cb 0.93 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 39.24 2jfd h ASN 644 CO 1.12 0.65 -0.26 -1.54 -1.65 0.00 0.00 177.43 175.76 2jfd n SER 645 N -4.78 -0.09 -0.08 5.81 3.41 -0.79 -3.73 113.62 113.37 2jfd n SER 645 Ca -0.08 -2.23 -0.03 0.00 -0.26 0.00 0.00 58.87 56.26 2jfd n SER 645 Cb 0.33 0.87 0.19 0.00 -0.26 0.00 0.00 64.21 65.33 2jfd n SER 645 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2jfd h LYS 646 N 0.00 0.72 -0.15 4.33 -0.00 -1.95 -3.14 116.57 116.38 2jfd h LYS 646 Ca -0.14 -0.19 -0.13 0.00 -0.00 0.00 0.00 60.65 60.19 2jfd h LYS 646 Cb 0.67 -0.09 -0.15 0.00 -0.00 0.00 0.00 32.23 32.67 2jfd h LYS 646 CO 0.21 0.74 -0.67 -0.40 -0.00 0.00 0.00 179.45 179.34 2jfd n ASP 647 N -4.22 2.16 -3.71 7.07 5.75 -1.26 -4.33 116.55 118.00 2jfd n ASP 647 Ca 0.02 -3.51 -0.17 0.00 -0.01 0.00 0.00 54.79 51.13 2jfd n ASP 647 Cb 0.29 -0.46 -0.16 0.00 -1.03 0.00 0.00 41.12 39.76 2jfd n ASP 647 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2jfd s THR 648 N -3.00 -0.11 -0.01 2.12 2.01 -1.19 -3.95 115.64 111.51 2jfd s THR 648 Ca 0.39 0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.71 2jfd s THR 648 Cb 0.38 -0.17 0.01 0.00 0.01 0.00 0.00 72.50 72.73 2jfd s THR 648 CO -0.06 0.13 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.28 2jfd s VAL 649 N 1.67 0.23 -0.23 3.82 1.01 -0.22 -1.88 120.40 124.81 2jfd s VAL 649 Ca -0.02 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 2jfd s VAL 649 Cb -0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2jfd s VAL 649 CO -0.04 0.09 0.40 -0.89 0.00 0.00 0.00 175.10 174.66 2jfd s THR 650 N 0.21 5.18 0.47 3.92 2.01 -0.26 -0.45 115.64 126.73 2jfd s THR 650 Ca -0.02 0.68 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 2jfd s THR 650 Cb -0.04 -3.73 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 2jfd s THR 650 CO -0.01 0.21 0.71 0.27 -0.69 0.00 0.00 174.62 175.12 2jfd s ILE 651 N 1.60 4.05 -0.24 1.82 -4.36 0.39 0.02 121.20 124.47 2jfd s ILE 651 Ca 0.18 -0.36 -0.12 0.00 -0.26 0.00 0.00 60.65 60.09 2jfd s ILE 651 Cb -0.15 -3.52 0.08 0.00 1.25 0.00 0.00 42.46 40.12 2jfd s ILE 651 CO 0.08 -0.40 0.57 -0.55 0.24 0.00 0.00 174.94 174.88 2jfd s SER 652 N -4.22 -0.77 0.00 4.36 0.15 0.12 -1.89 113.70 111.46 2jfd s SER 652 Ca 0.49 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.41 2jfd s SER 652 Cb -0.10 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 2jfd s SER 652 CO 0.40 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2jfd n GLY 653 N 4.54 0.72 3.76 9.45 0.00 -0.66 -0.89 105.19 122.12 2jfd n GLY 653 Ca -0.19 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 2jfd n GLY 653 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jfd s PRO 654 N -1.83 3.60 0.13 1.61 0.04 -1.26 0.01 135.00 137.29 2jfd s PRO 654 Ca 0.00 2.42 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 2jfd s PRO 654 Cb 0.00 -2.60 -0.07 0.00 0.04 0.00 0.00 34.50 31.86 2jfd s PRO 654 CO 0.00 -0.89 1.58 0.37 0.04 0.00 0.00 177.00 178.10 2jfd h GLN 655 N 2.19 -0.51 -0.34 4.56 -0.00 -1.47 -3.17 115.11 116.38 2jfd h GLN 655 Ca -0.51 0.03 0.04 0.00 -0.00 0.00 0.00 58.65 58.22 2jfd h GLN 655 Cb 1.27 0.12 -0.07 0.00 0.00 0.00 0.00 27.48 28.80 2jfd h GLN 655 CO 0.60 -0.34 -0.47 0.00 0.00 0.00 0.00 178.83 178.63 2jfd h ALA 656 N -0.00 -0.71 -0.03 3.38 0.00 -1.92 -1.82 119.26 118.15 2jfd h ALA 656 Ca 0.06 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2jfd h ALA 656 Cb 0.65 1.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2jfd h ALA 656 CO -0.39 -0.93 -0.31 -1.00 0.00 0.00 0.00 179.25 176.62 2jfd h PRO 657 N -0.34 0.06 0.43 0.00 0.13 -1.97 -2.48 132.00 127.84 2jfd h PRO 657 Ca 0.06 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 2jfd h PRO 657 Cb 0.50 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2jfd h PRO 657 CO -0.50 0.36 -0.40 0.28 -0.23 0.00 0.00 178.00 177.51 2jfd h VAL 658 N 0.05 0.19 0.00 1.56 2.07 -1.31 -0.49 116.25 118.32 2jfd h VAL 658 Ca 0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2jfd h VAL 658 Cb 0.57 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2jfd h VAL 658 CO 0.04 0.00 -0.30 -0.26 0.02 0.00 0.00 177.57 177.07 2jfd h PHE 659 N -0.85 0.00 -0.04 1.57 -1.00 -1.18 0.43 116.94 115.87 2jfd h PHE 659 Ca -0.04 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 2jfd h PHE 659 Cb 0.74 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.30 2jfd h PHE 659 CO -0.21 0.30 0.01 0.93 -1.61 0.00 0.00 178.31 177.74 2jfd h GLU 660 N 0.00 0.05 -0.71 1.51 5.08 -1.36 -2.78 114.58 116.38 2jfd h GLU 660 Ca -0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2jfd h GLU 660 Cb 0.64 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2jfd h GLU 660 CO 0.04 0.20 0.33 0.35 -1.00 0.00 0.00 179.01 178.93 2jfd h PHE 661 N -0.11 1.03 -0.49 4.33 3.57 0.11 -1.90 116.94 123.48 2jfd h PHE 661 Ca 0.01 -0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.55 2jfd h PHE 661 Cb 0.17 -0.32 -0.08 0.00 2.79 0.00 0.00 35.95 38.51 2jfd h PHE 661 CO -0.02 0.77 -0.03 0.28 -2.23 0.00 0.00 178.31 177.08 2jfd h VAL 662 N 0.99 0.58 -0.09 1.41 2.07 -0.32 0.08 116.25 120.97 2jfd h VAL 662 Ca 0.24 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 2jfd h VAL 662 Cb 0.14 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2jfd h VAL 662 CO -0.03 0.01 0.01 -0.33 0.02 0.00 0.00 177.57 177.25 2jfd h GLU 663 N 0.08 0.16 -0.46 1.57 3.07 -1.09 -1.76 114.58 116.16 2jfd h GLU 663 Ca 0.25 -0.05 0.11 0.00 -0.50 0.00 0.00 59.36 59.16 2jfd h GLU 663 Cb 0.38 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 2jfd h GLU 663 CO -0.44 0.40 0.32 0.37 -1.40 0.00 0.00 179.01 178.26 2jfd h GLN 664 N -0.10 0.13 0.10 2.33 -0.00 -1.22 0.44 115.11 116.79 2jfd h GLN 664 Ca 0.03 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2jfd h GLN 664 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.78 2jfd h GLN 664 CO 0.00 0.09 -0.05 -0.07 0.00 0.00 0.00 178.83 178.81 2jfd h LEU 665 N 0.14 -0.11 -0.58 -2.39 3.38 -0.57 0.16 115.31 115.34 2jfd h LEU 665 Ca 0.21 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.24 2jfd h LEU 665 Cb 0.67 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 2jfd h LEU 665 CO -0.03 -0.06 -0.43 0.03 0.09 0.00 0.00 178.44 178.04 2jfd h ARG 666 N -0.16 -0.10 -1.00 1.13 2.47 -1.16 0.00 114.38 115.56 2jfd h ARG 666 Ca -0.01 0.01 0.24 0.00 -1.26 0.00 0.00 59.98 58.96 2jfd h ARG 666 Cb 0.10 0.02 -0.12 0.00 -1.65 0.00 0.00 29.97 28.32 2jfd h ARG 666 CO 0.02 -0.07 0.59 0.87 0.56 0.00 0.00 179.97 181.94 2jfd h LYS 667 N -0.11 0.56 0.00 0.04 1.79 -0.22 0.33 116.57 118.96 2jfd h LYS 667 Ca 0.09 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 2jfd h LYS 667 Cb 0.35 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2jfd h LYS 667 CO -0.60 0.37 -0.20 1.05 -1.08 0.00 0.00 179.45 178.99 2jfd h GLU 668 N 0.58 0.00 0.00 3.15 -0.00 0.91 -3.47 114.58 115.74 2jfd h GLU 668 Ca 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 60.00 2jfd h GLU 668 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 2jfd h GLU 668 CO -0.48 0.20 0.00 0.41 -0.00 0.00 0.00 179.01 179.14 2jfd n GLY 669 N -0.55 0.70 3.35 1.06 0.00 0.12 -5.07 105.19 104.80 2jfd n GLY 669 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2jfd n GLY 669 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jfd s VAL 670 N -0.91 0.07 -0.10 1.61 -7.23 -1.14 -5.03 120.40 107.68 2jfd s VAL 670 Ca 0.00 -1.09 -0.25 0.00 -1.81 0.00 0.00 61.98 58.82 2jfd s VAL 670 Cb 0.00 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 2jfd s VAL 670 CO 0.00 -0.34 0.80 0.12 -0.31 0.00 0.00 175.10 175.37 2jfd s PHE 671 N -3.90 3.53 -0.09 2.82 2.19 -1.26 -3.61 117.98 117.65 2jfd s PHE 671 Ca 0.11 1.33 -0.06 0.00 0.33 0.00 0.00 56.93 58.64 2jfd s PHE 671 Cb 0.02 -2.94 0.04 0.00 -1.31 0.00 0.00 43.02 38.83 2jfd s PHE 671 CO -0.05 -0.06 0.23 0.00 1.83 0.00 0.00 175.22 177.17 2jfd s ALA 672 N 1.38 -0.53 -0.26 11.12 0.00 -1.26 -1.72 121.76 130.48 2jfd s ALA 672 Ca 0.40 0.85 -0.07 0.00 0.00 0.00 0.00 51.96 53.15 2jfd s ALA 672 Cb -0.18 -0.53 0.13 0.00 0.00 0.00 0.00 23.12 22.54 2jfd s ALA 672 CO 0.18 -0.16 0.54 0.15 0.00 0.00 0.00 175.76 176.46 2jfd s LYS 673 N 0.89 0.47 0.73 0.00 3.01 -0.57 -4.91 119.74 119.36 2jfd s LYS 673 Ca -0.06 1.14 -0.16 0.00 -1.01 0.00 0.00 55.97 55.88 2jfd s LYS 673 Cb -0.08 0.50 0.03 0.00 -1.01 0.00 0.00 37.83 37.27 2jfd s LYS 673 CO -0.05 -0.35 1.18 0.39 0.51 0.00 0.00 175.35 177.03 2jfd n GLU 674 N 5.42 0.60 -3.63 1.68 -0.58 -1.26 -1.44 120.64 121.42 2jfd n GLU 674 Ca -0.08 0.27 -0.27 0.00 -0.42 0.00 0.00 57.16 56.66 2jfd n GLU 674 Cb 0.50 -2.42 -0.10 0.00 -0.57 0.00 0.00 31.44 28.84 2jfd n GLU 674 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2jfd n VAL 675 N -2.61 1.06 0.00 2.62 0.31 -0.61 -4.78 118.33 114.32 2jfd n VAL 675 Ca 0.14 -4.60 0.00 0.00 -0.01 0.00 0.00 64.34 59.87 2jfd n VAL 675 Cb 0.49 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 2jfd n VAL 675 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2jfd n ARG 676 N 1.81 0.00 0.00 5.55 3.00 -1.26 -4.70 116.66 121.06 2jfd n ARG 676 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.08 2jfd n ARG 676 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.86 2jfd n ARG 676 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2jfd n THR 677 N 0.00 0.35 -2.94 0.55 5.66 -1.26 -4.97 114.28 111.67 2jfd n THR 677 Ca 0.00 -0.64 -0.11 0.00 -3.05 0.00 0.00 64.05 60.25 2jfd n THR 677 Cb 0.00 0.87 0.03 0.00 -1.55 0.00 0.00 70.33 69.68 2jfd n THR 677 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jfd n GLY 678 N -0.17 0.23 3.82 1.09 0.00 -1.26 -3.78 105.19 105.12 2jfd n GLY 678 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 2jfd n GLY 678 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jfd n GLY 679 N -1.19 -0.49 3.24 -0.02 0.00 -1.26 -4.95 105.19 100.52 2jfd n GLY 679 Ca -0.01 0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2jfd n GLY 679 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jfd s MET 680 N -6.48 1.82 -0.74 1.61 -1.94 -1.22 -0.41 119.30 111.94 2jfd s MET 680 Ca 0.59 -0.78 -0.08 0.00 -1.71 0.00 0.00 55.69 53.70 2jfd s MET 680 Cb -0.29 -1.73 0.19 0.00 2.01 0.00 0.00 34.83 35.01 2jfd s MET 680 CO 0.80 0.46 0.61 0.00 -0.01 0.00 0.00 175.02 176.88 2jfd s ALA 681 N -0.47 3.85 0.65 3.03 0.00 -1.26 -3.37 121.76 124.19 2jfd s ALA 681 Ca 0.07 -3.33 -0.12 0.00 0.00 0.00 0.00 51.96 48.58 2jfd s ALA 681 Cb -0.09 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 2jfd s ALA 681 CO -0.00 -2.19 1.05 -0.06 0.00 0.00 0.00 175.76 174.55 2jfd s PHE 682 N -0.04 3.22 -1.44 0.00 0.40 -1.26 -3.98 117.98 114.87 2jfd s PHE 682 Ca 0.18 1.41 -0.05 0.00 -0.60 0.00 0.00 56.93 57.88 2jfd s PHE 682 Cb -0.15 -2.86 0.03 0.00 0.51 0.00 0.00 43.02 40.55 2jfd s PHE 682 CO -0.06 -1.04 0.62 0.72 0.70 0.00 0.00 175.22 176.15 2jfd n HIS 683 N -2.77 -1.82 -4.09 0.36 8.25 -1.05 -4.86 115.22 109.23 2jfd n HIS 683 Ca 0.07 0.80 -0.12 0.00 -0.26 0.00 0.00 57.72 58.22 2jfd n HIS 683 Cb 0.54 -3.83 -0.06 0.00 1.12 0.00 0.00 29.99 27.76 2jfd n HIS 683 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2jfd s SER 684 N -4.07 0.31 0.43 0.41 1.04 -1.21 -4.43 113.70 106.19 2jfd s SER 684 Ca 0.20 -1.24 0.19 0.00 0.48 0.00 0.00 55.95 55.58 2jfd s SER 684 Cb -0.11 0.55 1.12 0.00 0.10 0.00 0.00 66.02 67.69 2jfd s SER 684 CO 0.87 -1.10 1.86 0.10 0.98 0.00 0.00 173.24 175.95 2jfd h TYR 685 N 2.31 0.48 -0.98 5.02 -0.00 -1.87 -1.20 116.97 120.74 2jfd h TYR 685 Ca -0.29 0.01 0.31 0.00 -0.00 0.00 0.00 58.73 58.76 2jfd h TYR 685 Cb 1.25 -0.15 -0.18 0.00 -0.00 0.00 0.00 36.73 37.65 2jfd h TYR 685 CO 0.73 0.13 0.20 0.74 -0.00 0.00 0.00 178.16 179.95 2jfd h PHE 686 N 0.36 0.25 0.00 0.10 0.05 -1.97 0.39 116.94 116.12 2jfd h PHE 686 Ca 0.46 0.06 -0.01 0.00 3.82 0.00 0.00 57.97 62.30 2jfd h PHE 686 Cb 1.21 0.05 -0.00 0.00 2.00 0.00 0.00 35.95 39.21 2jfd h PHE 686 CO -0.00 -0.41 -0.04 0.52 -0.18 0.00 0.00 178.31 178.20 2jfd h MET 687 N 0.04 0.00 -0.73 1.51 2.86 -1.43 -3.21 114.93 113.97 2jfd h MET 687 Ca 0.66 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.45 2jfd h MET 687 Cb 1.49 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.10 2jfd h MET 687 CO -0.84 0.04 0.49 1.49 1.06 0.00 0.00 176.91 179.15 2jfd h GLU 688 N 0.00 0.36 -0.39 1.72 4.57 -0.33 0.35 114.58 120.86 2jfd h GLU 688 Ca -0.00 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.23 2jfd h GLU 688 Cb 0.65 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 2jfd h GLU 688 CO 0.00 0.24 0.27 0.00 -1.18 0.00 0.00 179.01 178.34 2jfd h ALA 689 N 1.65 2.07 0.00 2.92 0.00 -1.69 -2.58 119.26 121.63 2jfd h ALA 689 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2jfd h ALA 689 Cb 0.86 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2jfd h ALA 689 CO -0.11 -0.15 -0.56 -0.89 0.00 0.00 0.00 179.25 177.54 2jfd n ILE 690 N -4.47 0.07 0.36 0.00 5.41 0.12 -4.44 119.36 116.41 2jfd n ILE 690 Ca 0.05 -0.06 -0.18 0.00 1.00 0.00 0.00 62.75 63.56 2jfd n ILE 690 Cb 0.30 0.19 -0.09 0.00 -0.71 0.00 0.00 39.64 39.33 2jfd n ILE 690 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jfd h ALA 691 N 2.89 -1.00 -0.62 -1.39 0.00 -1.29 -2.31 119.26 115.54 2jfd h ALA 691 Ca 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2jfd h ALA 691 Cb 0.55 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2jfd h ALA 691 CO 0.00 -1.08 0.33 -1.00 0.00 0.00 0.00 179.25 177.51 2jfd h PRO 692 N -0.97 0.60 -0.12 0.00 0.13 -1.77 0.49 132.00 130.36 2jfd h PRO 692 Ca -0.08 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2jfd h PRO 692 Cb 0.79 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 2jfd h PRO 692 CO 0.08 0.40 0.06 -1.00 -0.23 0.00 0.00 178.00 177.31 2jfd h PRO 693 N 0.62 0.17 -0.52 1.56 0.13 -1.83 -2.41 132.00 129.72 2jfd h PRO 693 Ca 0.28 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.41 2jfd h PRO 693 Cb 0.19 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.25 2jfd h PRO 693 CO -0.19 0.22 0.31 1.25 -0.23 0.00 0.00 178.00 179.37 2jfd h LEU 694 N 0.07 0.51 -0.83 1.56 5.85 -1.07 -1.98 115.31 119.43 2jfd h LEU 694 Ca 0.04 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.88 2jfd h LEU 694 Cb 0.11 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 2jfd h LEU 694 CO -0.01 0.36 0.45 0.25 -0.34 0.00 0.00 178.44 179.15 2jfd h LEU 695 N 0.63 0.60 0.49 2.25 5.85 0.00 -0.66 115.31 124.46 2jfd h LEU 695 Ca 0.21 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 2jfd h LEU 695 Cb 0.01 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2jfd h LEU 695 CO -0.09 0.31 -0.31 1.56 -0.34 0.00 0.00 178.44 179.57 2jfd h GLN 696 N 0.71 -0.73 -0.50 1.25 7.50 -0.86 -1.82 115.11 120.66 2jfd h GLN 696 Ca 0.42 0.05 0.08 0.00 0.50 0.00 0.00 58.65 59.70 2jfd h GLN 696 Cb 0.48 0.16 -0.10 0.00 0.05 0.00 0.00 27.48 28.07 2jfd h GLN 696 CO -0.30 -0.48 -0.39 0.93 -1.50 0.00 0.00 178.83 177.09 2jfd h GLU 697 N -0.75 -0.24 -0.54 1.46 4.39 -1.00 -2.47 114.58 115.43 2jfd h GLU 697 Ca -0.06 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 2jfd h GLU 697 Cb 0.61 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 2jfd h GLU 697 CO 0.06 -0.16 0.09 -0.07 -1.16 0.00 0.00 179.01 177.77 2jfd h LEU 698 N -0.25 0.81 -1.43 1.33 3.38 -1.13 -0.96 115.31 117.06 2jfd h LEU 698 Ca 0.18 -0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.17 2jfd h LEU 698 Cb 0.56 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2jfd h LEU 698 CO -0.63 0.82 0.58 0.11 0.09 0.00 0.00 178.44 179.42 2jfd h LYS 699 N 0.81 0.48 -0.28 1.13 6.56 -0.85 0.30 116.57 124.73 2jfd h LYS 699 Ca 0.17 -0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.69 2jfd h LYS 699 Cb 0.36 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 2jfd h LYS 699 CO 0.01 0.32 -0.00 0.87 -2.06 0.00 0.00 179.45 178.58 2jfd h LYS 700 N 0.49 0.50 -0.08 3.15 6.56 -1.05 -3.35 116.57 122.80 2jfd h LYS 700 Ca 0.46 -0.16 -0.04 0.00 -1.06 0.00 0.00 60.65 59.85 2jfd h LYS 700 Cb 1.02 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.63 2jfd h LYS 700 CO -0.19 0.66 -0.12 0.28 -2.06 0.00 0.00 179.45 178.02 2jfd h VAL 701 N 0.29 1.39 -3.10 0.50 2.07 -0.59 -3.36 116.25 113.44 2jfd h VAL 701 Ca 0.08 -1.35 -0.79 0.00 0.82 0.00 0.00 66.70 65.46 2jfd h VAL 701 Cb 0.43 2.09 -0.29 0.00 -1.52 0.00 0.00 31.29 32.00 2jfd h VAL 701 CO 0.02 0.38 0.58 -0.38 0.02 0.00 0.00 177.57 178.19 2jfd n ILE 702 N -4.63 4.87 -2.77 4.57 5.41 0.83 -4.90 119.36 122.75 2jfd n ILE 702 Ca -0.07 -5.70 -0.35 0.00 1.00 0.00 0.00 62.75 57.63 2jfd n ILE 702 Cb 0.35 -2.25 -0.06 0.00 -0.71 0.00 0.00 39.64 36.97 2jfd n ILE 702 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2jfd s ARG 703 N -2.27 4.30 -0.93 0.38 1.81 -1.26 -4.14 118.95 116.85 2jfd s ARG 703 Ca 0.31 1.23 -0.10 0.00 -1.72 0.00 0.00 55.73 55.46 2jfd s ARG 703 Cb 0.00 -2.39 0.00 0.00 -0.45 0.00 0.00 34.95 32.12 2jfd s ARG 703 CO 0.03 0.03 0.68 -0.85 -0.68 0.00 0.00 175.30 174.51 2jfd n GLU 704 N -0.26 -1.25 -1.86 3.54 -0.00 -1.26 -4.89 120.64 114.67 2jfd n GLU 704 Ca 0.05 0.74 -0.41 0.00 -0.00 0.00 0.00 57.16 57.55 2jfd n GLU 704 Cb 0.52 -3.41 -0.00 0.00 -0.00 0.00 0.00 31.44 28.55 2jfd n GLU 704 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 2jfd s PRO 705 N -5.14 4.13 0.18 3.44 0.02 -1.26 -5.00 135.00 131.37 2jfd s PRO 705 Ca 0.18 2.50 -0.09 0.00 0.02 0.00 0.00 61.00 63.61 2jfd s PRO 705 Cb -0.08 -2.97 -0.07 0.00 0.02 0.00 0.00 34.50 31.41 2jfd s PRO 705 CO 0.87 -0.48 0.48 0.15 -0.33 0.00 0.00 177.00 177.69 2jfd s LYS 706 N -2.06 3.77 0.33 5.54 -0.14 -1.26 -4.87 119.74 121.04 2jfd s LYS 706 Ca 0.52 0.19 -0.27 0.00 -1.36 0.00 0.00 55.97 55.05 2jfd s LYS 706 Cb -0.45 -2.78 -0.09 0.00 -1.68 0.00 0.00 37.83 32.83 2jfd s LYS 706 CO 0.61 0.41 1.05 -1.25 -0.76 0.00 0.00 175.35 175.41 2jfd s PRO 707 N -2.55 4.47 0.44 -1.68 0.04 -1.26 -1.76 135.00 132.70 2jfd s PRO 707 Ca 0.43 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.95 2jfd s PRO 707 Cb -0.12 -2.91 -0.07 0.00 0.04 0.00 0.00 34.50 31.43 2jfd s PRO 707 CO 0.21 0.11 0.86 1.03 0.04 0.00 0.00 177.00 179.26 2jfd s ARG 708 N -1.88 3.89 0.41 4.56 0.52 0.04 -4.86 118.95 121.62 2jfd s ARG 708 Ca 0.50 0.71 0.06 0.00 -0.52 0.00 0.00 55.73 56.48 2jfd s ARG 708 Cb -0.26 -2.28 0.00 0.00 0.52 0.00 0.00 34.95 32.93 2jfd s ARG 708 CO 0.34 -0.12 0.57 -1.54 0.02 0.00 0.00 175.30 174.57 2jfd s SER 709 N -3.01 5.74 0.52 0.23 1.04 -1.26 -4.92 113.70 112.04 2jfd s SER 709 Ca 0.55 -0.21 0.35 0.00 0.48 0.00 0.00 55.95 57.12 2jfd s SER 709 Cb -0.10 -0.99 1.70 0.00 0.10 0.00 0.00 66.02 66.73 2jfd s SER 709 CO 0.29 -0.68 2.05 0.00 0.98 0.00 0.00 173.24 175.88 2jfd h ALA 710 N 0.64 1.00 -0.16 5.32 0.00 -1.99 -1.52 119.26 122.55 2jfd h ALA 710 Ca -0.43 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2jfd h ALA 710 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2jfd h ALA 710 CO 0.50 0.00 -0.27 0.00 0.00 0.00 0.00 179.25 179.48 2jfd h ARG 711 N 0.00 0.30 -4.81 0.00 3.08 -1.94 -3.40 114.38 107.61 2jfd h ARG 711 Ca 0.00 -0.11 -0.71 0.00 0.07 0.00 0.00 59.98 59.23 2jfd h ARG 711 Cb 0.21 -0.02 -0.19 0.00 0.08 0.00 0.00 29.97 30.05 2jfd h ARG 711 CO 0.00 0.55 0.80 -0.46 -1.07 0.00 0.00 179.97 179.80 2jfd s TRP 712 N -4.43 3.28 0.03 3.04 -0.00 -0.57 -1.05 118.94 119.23 2jfd s TRP 712 Ca -0.05 -1.60 -0.30 0.00 -0.00 0.00 0.00 56.10 54.15 2jfd s TRP 712 Cb 0.14 -4.22 -0.06 0.00 -0.00 0.00 0.00 33.47 29.33 2jfd s TRP 712 CO 0.76 -1.40 1.47 -0.51 -0.00 0.00 0.00 176.95 177.27 2jfd s LEU 713 N 2.13 4.33 0.11 5.86 1.43 -0.74 -4.82 118.68 126.99 2jfd s LEU 713 Ca 0.32 2.24 -0.23 0.00 -1.03 0.00 0.00 54.13 55.43 2jfd s LEU 713 Cb -0.05 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 2jfd s LEU 713 CO -0.08 -0.76 0.70 -0.55 0.23 0.00 0.00 176.35 175.88 2jfd s SER 714 N 1.97 7.24 0.00 2.29 0.15 -1.26 -4.45 113.70 119.65 2jfd s SER 714 Ca 0.67 1.48 0.13 0.00 0.70 0.00 0.00 55.95 58.92 2jfd s SER 714 Cb -0.34 -2.44 -0.13 0.00 -1.71 0.00 0.00 66.02 61.39 2jfd s SER 714 CO 0.28 0.21 0.58 0.35 1.20 0.00 0.00 173.24 175.86 2jfd n THR 715 N 1.81 0.00 0.04 6.45 -2.24 -1.26 -4.48 114.28 114.60 2jfd n THR 715 Ca -0.07 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 2jfd n THR 715 Cb 0.50 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.60 2jfd n THR 715 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2jfd h SER 716 N 0.13 0.42 -3.22 3.42 4.64 -1.88 0.98 113.55 118.03 2jfd h SER 716 Ca 0.00 -0.69 -0.63 0.00 -0.47 0.00 0.00 61.79 59.99 2jfd h SER 716 Cb 0.32 -0.14 -0.15 0.00 -0.31 0.00 0.00 62.40 62.13 2jfd h SER 716 CO 0.00 1.60 -0.57 -0.63 -0.87 0.00 0.00 176.83 176.36 2jfd s ILE 717 N -2.59 4.75 0.67 0.95 1.01 -1.26 -4.70 121.20 120.04 2jfd s ILE 717 Ca -0.14 -0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 2jfd s ILE 717 Cb 0.06 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 39.43 2jfd s ILE 717 CO 0.83 0.50 1.10 -2.16 0.00 0.00 0.00 174.94 175.22 2jfd s PRO 718 N 0.02 2.75 0.39 2.79 0.04 -1.26 -4.73 135.00 134.99 2jfd s PRO 718 Ca 0.06 1.34 0.19 0.00 0.04 0.00 0.00 61.00 62.62 2jfd s PRO 718 Cb -0.12 -1.95 1.12 0.00 0.04 0.00 0.00 34.50 33.59 2jfd s PRO 718 CO 0.01 -1.29 1.75 1.49 0.04 0.00 0.00 177.00 179.00 2jfd h GLU 719 N -0.14 0.36 -0.40 4.56 4.81 -1.98 -0.40 114.58 121.40 2jfd h GLU 719 Ca -0.46 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.76 2jfd h GLU 719 Cb 1.24 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 2jfd h GLU 719 CO 0.54 0.24 0.27 0.00 -0.73 0.00 0.00 179.01 179.33 2jfd h ALA 720 N 1.64 1.77 -0.74 2.92 0.00 -2.01 -2.57 119.26 120.27 2jfd h ALA 720 Ca 0.63 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 55.13 2jfd h ALA 720 Cb 1.60 -0.14 -0.23 0.00 0.00 0.00 0.00 17.79 19.02 2jfd h ALA 720 CO -0.34 0.19 0.36 0.00 0.00 0.00 0.00 179.25 179.47 2jfd n GLN 721 N -4.48 2.08 0.06 0.00 -0.00 -0.16 -4.53 117.38 110.35 2jfd n GLN 721 Ca 0.04 -3.09 -0.09 0.00 -0.00 0.00 0.00 57.00 53.85 2jfd n GLN 721 Cb 0.10 -2.04 -0.13 0.00 -0.00 0.00 0.00 30.24 28.18 2jfd n GLN 721 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 2jfd h TRP 722 N 1.01 0.11 0.00 2.61 6.55 -1.52 -2.79 115.95 121.92 2jfd h TRP 722 Ca 0.47 -0.08 0.00 0.00 0.95 0.00 0.00 58.89 60.23 2jfd h TRP 722 Cb 2.38 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.68 2jfd h TRP 722 CO 1.38 1.07 0.00 0.72 -1.05 0.00 0.00 178.44 180.56 2jfd n HIS 723 N -3.35 0.00 -2.31 0.49 8.25 -1.26 -4.39 115.22 112.65 2jfd n HIS 723 Ca -0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.12 2jfd n HIS 723 Cb 0.97 -0.08 -0.00 0.00 1.12 0.00 0.00 29.99 32.01 2jfd n HIS 723 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2jfd s SER 724 N -2.15 6.30 0.23 0.41 1.04 -1.05 -4.89 113.70 113.58 2jfd s SER 724 Ca 0.02 1.20 -0.06 0.00 0.48 0.00 0.00 55.95 57.58 2jfd s SER 724 Cb 0.01 -2.37 0.21 0.00 0.10 0.00 0.00 66.02 63.97 2jfd s SER 724 CO 0.01 -0.69 1.82 0.77 0.98 0.00 0.00 173.24 176.13 2jfd h SER 725 N 0.14 1.08 -0.79 7.02 4.64 -1.88 0.28 113.55 124.04 2jfd h SER 725 Ca -0.46 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 60.70 2jfd h SER 725 Cb 1.20 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.97 2jfd h SER 725 CO 0.62 0.92 0.39 0.25 -0.87 0.00 0.00 176.83 178.15 2jfd h LEU 726 N 1.16 1.02 0.11 5.97 5.85 -1.91 -2.77 115.31 124.73 2jfd h LEU 726 Ca 0.28 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2jfd h LEU 726 Cb 0.15 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2jfd h LEU 726 CO -0.03 0.85 -0.05 0.00 -0.34 0.00 0.00 178.44 178.87 2jfd h ALA 727 N 1.20 -0.14 -0.69 1.25 0.00 -1.58 -3.34 119.26 115.96 2jfd h ALA 727 Ca 0.27 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.27 2jfd h ALA 727 Cb 0.10 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.81 2jfd h ALA 727 CO -0.04 -0.51 -0.02 -2.13 0.00 0.00 0.00 179.25 176.56 2jfd n ARG 728 N -5.08 -0.06 -4.37 0.00 0.63 0.90 -4.61 116.66 104.07 2jfd n ARG 728 Ca -0.08 1.04 -0.19 0.00 -0.92 0.00 0.00 57.85 57.70 2jfd n ARG 728 Cb 0.14 -1.64 -0.10 0.00 0.45 0.00 0.00 32.46 31.31 2jfd n ARG 728 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2jfd s THR 729 N -5.64 1.16 -1.13 5.15 -4.23 -1.25 -0.78 115.64 108.91 2jfd s THR 729 Ca -0.09 -2.04 -0.09 0.00 -1.18 0.00 0.00 61.69 58.29 2jfd s THR 729 Cb 0.20 -2.46 0.26 0.00 1.34 0.00 0.00 72.50 71.84 2jfd s THR 729 CO 0.54 -0.25 1.25 -0.24 -0.54 0.00 0.00 174.62 175.38 2jfd n SER 730 N -0.50 5.60 -4.49 3.99 2.88 -0.73 -4.75 113.62 115.63 2jfd n SER 730 Ca -0.04 -3.09 -0.25 0.00 -1.33 0.00 0.00 58.87 54.15 2jfd n SER 730 Cb 0.64 -1.40 0.14 0.00 -0.75 0.00 0.00 64.21 62.84 2jfd n SER 730 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jfd s SER 731 N 1.08 3.91 0.28 -3.46 1.04 -1.26 -4.55 113.70 110.74 2jfd s SER 731 Ca 0.33 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.52 2jfd s SER 731 Cb -0.06 -0.01 0.41 0.00 0.10 0.00 0.00 66.02 66.46 2jfd s SER 731 CO -0.04 -2.17 1.84 0.00 0.98 0.00 0.00 173.24 173.85 2jfd h ALA 732 N -0.89 1.23 -0.96 5.32 0.00 -1.86 -2.24 119.26 119.86 2jfd h ALA 732 Ca -0.38 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.39 2jfd h ALA 732 Cb 1.25 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2jfd h ALA 732 CO 0.38 0.54 0.62 0.93 0.00 0.00 0.00 179.25 181.71 2jfd h GLU 733 N 0.80 1.11 -0.32 0.00 3.07 -1.93 0.08 114.58 117.39 2jfd h GLU 733 Ca 0.18 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 2jfd h GLU 733 Cb 0.27 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2jfd h GLU 733 CO -0.00 0.73 -0.06 -0.92 -1.40 0.00 0.00 179.01 177.36 2jfd h TYR 734 N 1.14 0.68 -0.08 4.33 5.03 -1.72 -2.42 116.97 123.93 2jfd h TYR 734 Ca 0.41 -0.14 -0.19 0.00 2.58 0.00 0.00 58.73 61.39 2jfd h TYR 734 Cb 0.12 -0.17 -0.00 0.00 1.55 0.00 0.00 36.73 38.23 2jfd h TYR 734 CO -0.01 0.77 -0.74 -0.91 -1.32 0.00 0.00 178.16 175.95 2jfd h ASN 735 N 0.39 0.51 -0.22 -2.11 4.21 -1.08 -2.22 115.58 115.05 2jfd h ASN 735 Ca 0.08 -0.33 -0.03 0.00 1.21 0.00 0.00 56.30 57.23 2jfd h ASN 735 Cb 0.54 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 2jfd h ASN 735 CO 0.03 1.08 0.01 0.58 -1.29 0.00 0.00 177.43 177.83 2jfd h VAL 736 N 0.29 1.25 -0.91 2.81 2.07 -1.02 -2.80 116.25 117.94 2jfd h VAL 736 Ca -0.03 -0.86 0.10 0.00 0.82 0.00 0.00 66.70 66.73 2jfd h VAL 736 Cb 1.31 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 32.39 2jfd h VAL 736 CO 0.13 0.27 0.55 -1.13 0.02 0.00 0.00 177.57 177.41 2jfd h ASN 737 N 0.16 0.81 -0.38 0.57 -1.24 -1.31 -1.71 115.58 112.47 2jfd h ASN 737 Ca 0.06 0.04 0.07 0.00 0.71 0.00 0.00 56.30 57.19 2jfd h ASN 737 Cb 0.39 -0.11 -0.06 0.00 0.73 0.00 0.00 38.32 39.26 2jfd h ASN 737 CO 0.01 0.45 -0.03 -1.13 -1.29 0.00 0.00 177.43 175.44 2jfd h ASN 738 N 0.90 -0.21 -0.98 1.15 -0.73 -1.14 0.68 115.58 115.25 2jfd h ASN 738 Ca 0.44 0.10 0.02 0.00 1.87 0.00 0.00 56.30 58.72 2jfd h ASN 738 Cb 0.40 0.18 -0.05 0.00 0.27 0.00 0.00 38.32 39.12 2jfd h ASN 738 CO -0.25 -0.07 0.64 0.25 -0.37 0.00 0.00 177.43 177.64 2jfd h LEU 739 N 0.07 1.10 0.04 0.34 5.85 -1.15 -3.19 115.31 118.37 2jfd h LEU 739 Ca 0.19 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 2jfd h LEU 739 Cb 0.27 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2jfd h LEU 739 CO -0.33 0.78 -0.41 0.58 -0.34 0.00 0.00 178.44 178.72 2jfd h VAL 740 N 1.29 1.60 -4.32 1.05 2.07 -1.09 -2.78 116.25 114.07 2jfd h VAL 740 Ca 0.37 -2.39 -0.51 0.00 0.82 0.00 0.00 66.70 64.99 2jfd h VAL 740 Cb -0.10 3.20 0.11 0.00 -1.52 0.00 0.00 31.29 32.98 2jfd h VAL 740 CO -0.09 0.62 0.35 -0.44 0.02 0.00 0.00 177.57 178.03 2jfd s SER 741 N -6.52 5.06 0.63 0.57 0.01 0.23 -3.29 113.70 110.40 2jfd s SER 741 Ca -0.19 1.63 -0.11 0.00 1.31 0.00 0.00 55.95 58.60 2jfd s SER 741 Cb -0.01 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 2jfd s SER 741 CO 0.72 -1.65 1.04 -2.16 0.41 0.00 0.00 173.24 171.60 2jfd s PRO 742 N -5.02 3.45 -0.54 12.44 0.04 -1.26 -4.61 135.00 139.50 2jfd s PRO 742 Ca 0.59 0.81 -0.23 0.00 0.04 0.00 0.00 61.00 62.22 2jfd s PRO 742 Cb -0.15 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.38 2jfd s PRO 742 CO 0.55 -0.69 0.85 0.08 0.04 0.00 0.00 177.00 177.84 2jfd s VAL 743 N -3.12 4.52 -1.26 -0.36 1.01 0.01 -4.49 120.40 116.71 2jfd s VAL 743 Ca 0.56 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 2jfd s VAL 743 Cb -0.12 -4.48 0.17 0.00 0.00 0.00 0.00 36.38 31.96 2jfd s VAL 743 CO 0.53 -1.04 1.80 0.18 0.00 0.00 0.00 175.10 176.58 2jfd n LEU 744 N 7.11 6.47 -0.07 3.92 4.77 0.34 -0.80 117.00 138.74 2jfd n LEU 744 Ca -0.01 -4.65 -0.08 0.00 -0.03 0.00 0.00 56.01 51.24 2jfd n LEU 744 Cb 0.47 -1.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.02 2jfd n LEU 744 CO 0.61 1.32 -0.04 0.15 -1.33 0.00 0.00 177.39 178.10 2jfd h PHE 745 N 5.90 0.00 -0.83 -1.77 3.57 -1.77 -3.21 116.94 118.83 2jfd h PHE 745 Ca 0.38 0.00 0.17 0.00 3.53 0.00 0.00 57.97 62.04 2jfd h PHE 745 Cb 0.66 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.29 2jfd h PHE 745 CO 1.22 0.49 0.38 1.96 -2.23 0.00 0.00 178.31 180.12 2jfd h GLN 746 N -1.00 0.48 -0.01 1.11 7.50 -0.56 -0.71 115.11 121.93 2jfd h GLN 746 Ca -0.05 -0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.03 2jfd h GLN 746 Cb 0.56 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.97 2jfd h GLN 746 CO -0.03 0.32 -0.18 1.05 -1.50 0.00 0.00 178.83 178.49 2jfd h GLU 747 N 0.50 0.01 -0.10 1.46 9.09 -1.81 -0.71 114.58 123.02 2jfd h GLU 747 Ca 0.47 -0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.83 2jfd h GLU 747 Cb 0.76 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.86 2jfd h GLU 747 CO -0.42 0.20 -0.12 0.00 0.05 0.00 0.00 179.01 178.71 2jfd h ALA 748 N 1.80 0.15 -0.49 1.06 0.00 -1.16 -3.26 119.26 117.37 2jfd h ALA 748 Ca 0.00 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 54.74 2jfd h ALA 748 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2jfd h ALA 748 CO 0.02 0.02 0.35 -0.07 0.00 0.00 0.00 179.25 179.57 2jfd h LEU 749 N -0.15 0.01 -1.92 0.00 3.38 -0.25 0.71 115.31 117.10 2jfd h LEU 749 Ca 0.01 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.26 2jfd h LEU 749 Cb 0.66 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2jfd h LEU 749 CO 0.03 0.01 0.70 -0.50 0.09 0.00 0.00 178.44 178.76 2jfd h TRP 750 N 0.01 0.09 0.00 1.13 6.55 -1.46 -1.66 115.95 120.61 2jfd h TRP 750 Ca 0.23 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 60.03 2jfd h TRP 750 Cb 0.92 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 29.19 2jfd h TRP 750 CO -0.00 0.01 -0.30 0.45 -1.05 0.00 0.00 178.44 177.55 2jfd h HIS 751 N 0.06 0.00 -2.59 0.49 3.86 -1.04 -3.45 115.15 112.47 2jfd h HIS 751 Ca 0.48 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 59.15 2jfd h HIS 751 Cb 1.79 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.28 2jfd h HIS 751 CO -0.00 0.22 1.07 0.08 0.86 0.00 0.00 177.93 180.16 2jfd s VAL 752 N -3.11 3.06 0.85 2.45 1.01 -0.63 -4.96 120.40 119.08 2jfd s VAL 752 Ca 0.05 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.27 2jfd s VAL 752 Cb 0.06 -3.24 0.21 0.00 0.00 0.00 0.00 36.38 33.41 2jfd s VAL 752 CO 0.71 -0.01 0.88 -0.81 0.00 0.00 0.00 175.10 175.87 2jfd n PRO 753 N 6.23 -2.04 -0.15 2.72 -0.04 -1.26 -4.90 135.00 135.57 2jfd n PRO 753 Ca 0.17 -1.39 -0.11 0.00 -0.04 0.00 0.00 63.50 62.14 2jfd n PRO 753 Cb 0.41 -1.15 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 2jfd n PRO 753 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2jfd h GLU 754 N 0.00 0.81 -0.84 0.54 4.81 -1.96 -3.24 114.58 114.69 2jfd h GLU 754 Ca -0.31 -0.29 -0.58 0.00 -0.13 0.00 0.00 59.36 58.05 2jfd h GLU 754 Cb 0.92 -0.06 -0.34 0.00 0.63 0.00 0.00 28.75 29.90 2jfd h GLU 754 CO 0.21 0.90 0.02 0.72 -0.73 0.00 0.00 179.01 180.14 2jfd n HIS 755 N -4.34 2.87 -2.29 0.92 8.25 -1.26 -2.97 115.22 116.40 2jfd n HIS 755 Ca -0.00 -2.55 -0.38 0.00 -0.26 0.00 0.00 57.72 54.53 2jfd n HIS 755 Cb 0.34 -0.87 -0.02 0.00 1.12 0.00 0.00 29.99 30.57 2jfd n HIS 755 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jfd s ALA 756 N -3.68 3.11 -0.21 -1.41 0.00 -1.23 -4.24 121.76 114.11 2jfd s ALA 756 Ca 0.57 0.95 -0.10 0.00 0.00 0.00 0.00 51.96 53.38 2jfd s ALA 756 Cb 0.46 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 2jfd s ALA 756 CO 0.02 -0.55 0.13 0.08 0.00 0.00 0.00 175.76 175.44 2jfd s VAL 757 N -1.46 5.29 -0.10 0.00 1.01 0.34 -1.00 120.40 124.49 2jfd s VAL 757 Ca 0.59 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.73 2jfd s VAL 757 Cb -0.30 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2jfd s VAL 757 CO 0.37 0.40 -0.11 -0.69 0.00 0.00 0.00 175.10 175.08 2jfd s VAL 758 N 0.65 1.16 -0.24 2.92 1.01 0.20 -0.47 120.40 125.63 2jfd s VAL 758 Ca 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 2jfd s VAL 758 Cb -0.12 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 2jfd s VAL 758 CO 0.01 0.38 -0.01 -0.76 0.00 0.00 0.00 175.10 174.72 2jfd s LEU 759 N 1.24 3.14 -0.52 3.92 1.43 -0.45 0.42 118.68 127.86 2jfd s LEU 759 Ca -0.03 -0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 52.39 2jfd s LEU 759 Cb -0.14 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.32 2jfd s LEU 759 CO -0.04 -0.05 1.03 -0.70 0.23 0.00 0.00 176.35 176.83 2jfd s GLU 760 N 1.50 3.51 -0.71 1.70 2.12 -0.06 -1.45 118.70 125.32 2jfd s GLU 760 Ca 0.05 0.15 -0.19 0.00 0.36 0.00 0.00 54.97 55.35 2jfd s GLU 760 Cb -0.15 -3.98 0.12 0.00 0.26 0.00 0.00 34.13 30.39 2jfd s GLU 760 CO -0.01 -1.43 0.86 0.42 -0.54 0.00 0.00 175.26 174.55 2jfd s ILE 761 N 4.23 4.82 -0.17 -3.70 1.01 0.88 -3.20 121.20 125.07 2jfd s ILE 761 Ca 0.39 -1.22 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 2jfd s ILE 761 Cb -0.09 -4.59 0.13 0.00 0.01 0.00 0.00 42.46 37.92 2jfd s ILE 761 CO 0.25 -1.26 1.02 0.00 0.00 0.00 0.00 174.94 174.95 2jfd s ALA 762 N 2.58 -1.94 0.54 9.38 0.00 -1.26 -3.07 121.76 127.99 2jfd s ALA 762 Ca 0.19 1.61 0.37 0.00 0.00 0.00 0.00 51.96 54.13 2jfd s ALA 762 Cb -0.17 -0.77 2.02 0.00 0.00 0.00 0.00 23.12 24.20 2jfd s ALA 762 CO 0.01 -0.30 2.25 -1.00 0.00 0.00 0.00 175.76 176.72 2jfd h PRO 763 N 2.57 0.00 -3.74 0.00 0.13 -1.89 -3.36 132.00 125.72 2jfd h PRO 763 Ca -0.18 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.79 2jfd h PRO 763 Cb 1.16 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.08 2jfd h PRO 763 CO 0.30 0.02 -0.60 -1.58 -0.23 0.00 0.00 178.00 175.91 2jfd s HIS 764 N -4.21 0.13 -1.32 1.56 5.65 -1.25 -4.20 115.29 111.65 2jfd s HIS 764 Ca -0.04 -0.29 -0.06 0.00 0.25 0.00 0.00 55.06 54.92 2jfd s HIS 764 Cb 0.13 -0.11 0.12 0.00 -1.18 0.00 0.00 32.58 31.55 2jfd s HIS 764 CO 0.49 -0.22 2.29 0.00 -0.65 0.00 0.00 174.74 176.65 2jfd n ALA 765 N 1.68 6.51 -0.12 1.58 0.00 -0.98 -4.71 120.51 124.47 2jfd n ALA 765 Ca -0.22 -4.12 -0.05 0.00 0.00 0.00 0.00 53.44 49.05 2jfd n ALA 765 Cb 0.56 -2.84 0.03 0.00 0.00 0.00 0.00 19.45 17.20 2jfd n ALA 765 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jfd h LEU 766 N 6.13 0.14 0.00 0.00 4.07 -1.96 -2.86 115.31 120.83 2jfd h LEU 766 Ca 0.64 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.65 2jfd h LEU 766 Cb 0.37 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2jfd h LEU 766 CO 1.52 0.11 0.00 0.18 -1.08 0.00 0.00 178.44 179.18 2jfd n LEU 767 N -5.02 0.00 -0.00 1.67 4.77 -1.26 -3.94 117.00 113.21 2jfd n LEU 767 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 2jfd n LEU 767 Cb 0.15 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2jfd n LEU 767 CO 0.26 0.00 0.88 1.56 -1.33 0.00 0.00 177.39 178.76 2jfd h GLN 768 N 0.00 0.06 0.25 3.23 1.08 -1.91 0.17 115.11 117.99 2jfd h GLN 768 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jfd h GLN 768 Cb 0.00 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2jfd h GLN 768 CO 0.00 0.04 -0.23 0.00 -0.95 0.00 0.00 178.83 177.69 2jfd h ALA 769 N 1.08 -0.48 -0.68 3.87 0.00 -1.84 -0.85 119.26 120.36 2jfd h ALA 769 Ca 0.05 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2jfd h ALA 769 Cb 0.04 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2jfd h ALA 769 CO -0.07 -0.80 0.35 0.28 0.00 0.00 0.00 179.25 179.02 2jfd h VAL 770 N -0.50 0.89 -0.58 0.00 2.07 -1.77 -0.77 116.25 115.59 2jfd h VAL 770 Ca -0.01 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 2jfd h VAL 770 Cb 0.46 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2jfd h VAL 770 CO -0.04 0.11 -0.04 0.25 0.02 0.00 0.00 177.57 177.88 2jfd h LEU 771 N 0.62 1.04 -0.27 2.57 5.85 -0.24 0.24 115.31 125.12 2jfd h LEU 771 Ca 0.32 -0.32 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 2jfd h LEU 771 Cb 0.29 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 2jfd h LEU 771 CO -0.23 1.11 -0.25 0.11 -0.34 0.00 0.00 178.44 178.84 2jfd h LYS 772 N 0.94 0.65 -0.46 1.25 1.57 -0.77 -1.18 116.57 118.58 2jfd h LYS 772 Ca 0.16 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 2jfd h LYS 772 Cb 0.60 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2jfd h LYS 772 CO 0.04 0.94 0.00 -0.09 -0.57 0.00 0.00 179.45 179.76 2jfd h ARG 773 N 0.38 0.76 -0.23 3.15 2.43 -0.80 -3.21 114.38 116.86 2jfd h ARG 773 Ca 0.05 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2jfd h ARG 773 Cb 0.80 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2jfd h ARG 773 CO 0.06 0.77 0.00 0.41 -1.51 0.00 0.00 179.97 179.70 2jfd n GLY 774 N -0.67 1.34 3.61 2.80 0.00 0.82 -4.91 105.19 108.18 2jfd n GLY 774 Ca 0.02 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 2jfd n GLY 774 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfd s LEU 775 N -1.62 3.25 0.15 0.99 1.43 -0.45 -4.81 118.68 117.63 2jfd s LEU 775 Ca 0.32 -0.09 -0.31 0.00 -1.03 0.00 0.00 54.13 53.03 2jfd s LEU 775 Cb 0.20 -1.84 -0.17 0.00 0.03 0.00 0.00 46.19 44.41 2jfd s LEU 775 CO 0.29 0.30 0.65 2.29 0.23 0.00 0.00 176.35 180.11 2jfd n LYS 776 N 1.63 0.00 0.28 1.70 0.00 -1.26 -4.82 118.16 115.69 2jfd n LYS 776 Ca -0.16 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.29 2jfd n LYS 776 Cb 0.53 -1.11 0.83 0.00 -0.00 0.00 0.00 35.03 35.27 2jfd n LYS 776 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2jfd h PRO 777 N 1.48 0.00 0.00 -1.58 0.13 -1.90 -1.94 132.00 128.19 2jfd h PRO 777 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2jfd h PRO 777 Cb 1.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.55 2jfd h PRO 777 CO 0.58 0.05 0.00 -1.13 -0.23 0.00 0.00 178.00 177.28 2jfd n SER 778 N -3.78 0.00 -4.81 1.44 3.41 -1.26 -4.75 113.62 103.87 2jfd n SER 778 Ca -0.02 0.42 -0.34 0.00 -0.26 0.00 0.00 58.87 58.67 2jfd n SER 778 Cb 0.15 -0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 63.58 2jfd n SER 778 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jfd s THR 780 N -2.07 3.48 -0.16 0.00 2.01 -0.17 -4.97 115.64 113.76 2jfd s THR 780 Ca 0.63 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.11 2jfd s THR 780 Cb -0.12 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 69.95 2jfd s THR 780 CO 0.16 0.54 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.81 2jfd s ILE 781 N -0.09 1.97 -0.14 1.82 1.01 -1.26 0.60 121.20 125.10 2jfd s ILE 781 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.77 2jfd s ILE 781 Cb -0.13 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.57 2jfd s ILE 781 CO 0.03 0.53 -0.20 -0.63 0.00 0.00 0.00 174.94 174.67 2jfd s ILE 782 N 1.18 1.91 0.22 2.92 1.01 0.17 -4.97 121.20 123.64 2jfd s ILE 782 Ca 0.01 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.64 2jfd s ILE 782 Cb -0.14 -1.71 -0.08 0.00 0.01 0.00 0.00 42.46 40.54 2jfd s ILE 782 CO -0.09 0.52 0.64 -2.16 0.00 0.00 0.00 174.94 173.84 2jfd s PRO 783 N 1.01 4.02 -0.06 2.79 0.04 -1.26 -0.88 135.00 140.66 2jfd s PRO 783 Ca -0.03 0.59 0.19 0.00 0.04 0.00 0.00 61.00 61.78 2jfd s PRO 783 Cb -0.15 -2.75 -0.29 0.00 0.04 0.00 0.00 34.50 31.36 2jfd s PRO 783 CO -0.05 0.35 0.35 1.28 0.04 0.00 0.00 177.00 178.97 2jfd n LEU 784 N 0.34 0.00 -3.80 -3.56 4.77 -1.20 -4.70 117.00 108.86 2jfd n LEU 784 Ca -0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 2jfd n LEU 784 Cb 0.52 0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 2jfd n LEU 784 CO 0.43 0.10 -0.06 -0.04 -1.33 0.00 0.00 177.39 176.49 2jfd s MET 785 N -3.15 0.51 -0.05 3.23 -1.94 -1.26 -3.70 119.30 112.93 2jfd s MET 785 Ca -0.08 -0.08 0.06 0.00 -1.71 0.00 0.00 55.69 53.88 2jfd s MET 785 Cb 0.11 0.23 -0.01 0.00 2.01 0.00 0.00 34.83 37.17 2jfd s MET 785 CO 0.80 -0.12 -0.24 -1.59 -0.01 0.00 0.00 175.02 173.86 2jfd s LYS 786 N -0.90 2.41 0.01 2.03 0.00 -1.26 -2.32 119.74 119.72 2jfd s LYS 786 Ca -0.10 -0.86 -0.33 0.00 0.00 0.00 0.00 55.97 54.69 2jfd s LYS 786 Cb -0.05 -2.06 -0.11 0.00 0.00 0.00 0.00 37.83 35.61 2jfd s LYS 786 CO 0.02 0.37 1.86 1.63 0.00 0.00 0.00 175.35 179.24 2jfd n LYS 787 N 2.96 2.48 -1.25 1.78 5.02 -1.26 -1.92 118.16 125.97 2jfd n LYS 787 Ca -0.17 0.90 -0.08 0.00 -2.02 0.00 0.00 58.31 56.94 2jfd n LYS 787 Cb 0.52 -2.78 -0.04 0.00 -0.02 0.00 0.00 35.03 32.71 2jfd n LYS 787 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jfd n ASP 788 N 6.32 -4.44 -4.77 4.39 9.92 -1.26 -4.97 116.55 121.74 2jfd n ASP 788 Ca 0.20 0.21 -0.40 0.00 -0.53 0.00 0.00 54.79 54.28 2jfd n ASP 788 Cb 0.34 -2.69 0.01 0.00 -0.64 0.00 0.00 41.12 38.14 2jfd n ASP 788 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2jfd s HIS 789 N -2.17 2.54 0.26 1.24 2.46 -0.81 -4.89 115.29 113.92 2jfd s HIS 789 Ca 0.00 1.28 -0.09 0.00 0.47 0.00 0.00 55.06 56.72 2jfd s HIS 789 Cb 0.00 -3.88 0.41 0.00 -0.13 0.00 0.00 32.58 28.98 2jfd s HIS 789 CO 0.00 -2.78 1.59 0.07 -2.47 0.00 0.00 174.74 171.15 2jfd h ARG 790 N 2.44 0.01 -1.29 2.88 -0.00 -1.93 -3.38 114.38 113.10 2jfd h ARG 790 Ca -0.51 -0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.40 2jfd h ARG 790 Cb 1.26 -0.00 -0.24 0.00 -0.00 0.00 0.00 29.97 30.99 2jfd h ARG 790 CO 0.62 0.00 -0.45 0.34 -0.00 0.00 0.00 179.97 180.48 2jfd s ASP 791 N -5.23 -0.79 0.59 0.08 -1.08 -1.26 -5.05 116.67 103.93 2jfd s ASP 791 Ca -0.15 -0.15 0.36 0.00 -0.52 0.00 0.00 52.55 52.09 2jfd s ASP 791 Cb 0.24 1.64 1.81 0.00 -1.46 0.00 0.00 42.92 45.15 2jfd s ASP 791 CO 0.76 -0.31 2.17 0.78 0.52 0.00 0.00 175.17 179.09 2jfd h ASN 792 N 7.96 0.00 -0.07 -0.34 2.35 -1.89 -2.31 115.58 121.28 2jfd h ASN 792 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2jfd h ASN 792 Cb 1.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 2jfd h ASN 792 CO 0.19 0.04 0.03 0.25 -1.65 0.00 0.00 177.43 176.29 2jfd h LEU 793 N 0.00 0.10 -0.51 1.61 5.85 -1.94 0.81 115.31 121.24 2jfd h LEU 793 Ca -0.00 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.65 2jfd h LEU 793 Cb 0.25 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.15 2jfd h LEU 793 CO 0.00 0.25 -0.20 -0.08 -0.34 0.00 0.00 178.44 178.07 2jfd h GLU 794 N -0.05 -0.08 0.12 1.25 4.81 -1.82 0.29 114.58 119.10 2jfd h GLU 794 Ca 0.02 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2jfd h GLU 794 Cb 0.18 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2jfd h GLU 794 CO -0.00 -0.05 -0.06 0.35 -0.73 0.00 0.00 179.01 178.52 2jfd h PHE 795 N -0.08 -0.15 -0.23 0.92 3.57 -1.20 0.99 116.94 120.76 2jfd h PHE 795 Ca 0.24 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.79 2jfd h PHE 795 Cb 0.45 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 2jfd h PHE 795 CO -0.49 0.00 -0.18 0.35 -2.23 0.00 0.00 178.31 175.77 2jfd h PHE 796 N -0.27 -0.46 -0.73 0.41 3.57 0.10 -1.26 116.94 118.31 2jfd h PHE 796 Ca -0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2jfd h PHE 796 Cb 0.22 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 2jfd h PHE 796 CO -0.03 -0.25 0.48 -0.07 -2.23 0.00 0.00 178.31 176.20 2jfd h LEU 797 N -0.18 0.84 -0.80 0.59 3.38 -0.17 -0.07 115.31 118.90 2jfd h LEU 797 Ca 0.13 -0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.25 2jfd h LEU 797 Cb 0.38 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.80 2jfd h LEU 797 CO -0.33 0.61 0.28 0.00 0.09 0.00 0.00 178.44 179.09 2jfd h ALA 798 N 1.26 1.15 -0.78 1.53 0.00 -0.35 0.15 119.26 122.22 2jfd h ALA 798 Ca 0.27 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 2jfd h ALA 798 Cb -0.10 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2jfd h ALA 798 CO -0.06 -0.31 0.33 0.78 0.00 0.00 0.00 179.25 180.00 2jfd h GLY 799 N 0.36 1.24 1.49 0.00 0.00 0.14 -1.08 103.07 105.22 2jfd h GLY 799 Ca 0.47 -0.66 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 2jfd h GLY 799 CO -0.50 0.62 -0.32 -2.22 0.00 0.00 0.00 176.54 174.12 2jfd h ILE 800 N 1.13 1.28 -0.88 2.60 1.08 -0.24 -1.31 117.51 121.17 2jfd h ILE 800 Ca 0.26 -1.43 0.08 0.00 -0.39 0.00 0.00 64.86 63.38 2jfd h ILE 800 Cb 0.19 1.43 -0.07 0.00 -3.07 0.00 0.00 36.82 35.30 2jfd h ILE 800 CO -0.02 0.46 0.53 1.23 -0.69 0.00 0.00 178.15 179.66 2jfd h GLY 801 N 1.03 1.36 1.64 5.37 0.00 0.20 -2.30 103.07 110.37 2jfd h GLY 801 Ca 0.06 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 2jfd h GLY 801 CO 0.07 0.21 -0.25 3.21 0.00 0.00 0.00 176.54 179.78 2jfd h ARG 802 N 0.93 0.42 -0.57 4.80 3.08 -0.08 -0.28 114.38 122.67 2jfd h ARG 802 Ca 0.40 -0.15 0.09 0.00 0.07 0.00 0.00 59.98 60.39 2jfd h ARG 802 Cb 0.28 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 2jfd h ARG 802 CO -0.21 0.64 0.18 -0.07 -1.07 0.00 0.00 179.97 179.44 2jfd h LEU 803 N 0.38 0.14 0.15 3.04 3.38 -0.94 -1.62 115.31 119.84 2jfd h LEU 803 Ca 0.06 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2jfd h LEU 803 Cb 0.64 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2jfd h LEU 803 CO 0.05 0.09 -0.28 -0.74 0.09 0.00 0.00 178.44 177.65 2jfd h HIS 804 N 0.35 -0.74 0.00 1.13 2.76 -0.79 -1.11 115.15 116.74 2jfd h HIS 804 Ca 0.29 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 2jfd h HIS 804 Cb 0.37 0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.64 2jfd h HIS 804 CO -0.19 -0.38 0.00 1.28 -1.30 0.00 0.00 177.93 177.34 2jfd n LEU 805 N -5.39 0.57 -1.09 0.26 4.77 -0.81 -0.76 117.00 114.55 2jfd n LEU 805 Ca -0.07 0.76 0.01 0.00 -0.03 0.00 0.00 56.01 56.69 2jfd n LEU 805 Cb 0.30 -0.83 0.23 0.00 -2.33 0.00 0.00 43.42 40.79 2jfd n LEU 805 CO 0.25 -0.94 0.74 -1.54 -1.33 0.00 0.00 177.39 174.57 2jfd n SER 806 N -2.26 3.31 0.00 -1.43 3.41 -0.52 -4.63 113.62 111.50 2jfd n SER 806 Ca -0.01 -3.36 0.00 0.00 -0.26 0.00 0.00 58.87 55.23 2jfd n SER 806 Cb 0.04 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 2jfd n SER 806 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jfd n GLY 807 N -0.80 2.31 3.72 5.00 0.00 0.06 -4.89 105.19 110.59 2jfd n GLY 807 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 2jfd n GLY 807 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jfd s ILE 808 N -2.85 4.61 -0.49 -0.61 -1.09 -0.60 -4.95 121.20 115.21 2jfd s ILE 808 Ca 0.00 1.93 -0.24 0.00 -2.23 0.00 0.00 60.65 60.11 2jfd s ILE 808 Cb 0.00 -4.24 0.03 0.00 -1.58 0.00 0.00 42.46 36.68 2jfd s ILE 808 CO 0.00 0.18 0.88 -0.62 -1.23 0.00 0.00 174.94 174.15 2jfd s ASP 809 N 0.79 6.40 -0.31 3.58 -1.08 -1.26 -3.49 116.67 121.31 2jfd s ASP 809 Ca 0.52 -0.16 -0.02 0.00 -0.52 0.00 0.00 52.55 52.38 2jfd s ASP 809 Cb -0.23 -2.42 0.12 0.00 -1.46 0.00 0.00 42.92 38.93 2jfd s ASP 809 CO 0.29 -1.07 0.21 0.00 0.52 0.00 0.00 175.17 175.12 2jfd s ALA 810 N 3.64 0.28 -0.44 3.66 0.00 -1.26 -4.91 121.76 122.72 2jfd s ALA 810 Ca 0.32 -0.99 -0.25 0.00 0.00 0.00 0.00 51.96 51.04 2jfd s ALA 810 Cb -0.12 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.43 2jfd s ALA 810 CO 0.22 -1.78 0.88 1.21 0.00 0.00 0.00 175.76 176.29 2jfd s ASN 811 N 1.95 6.50 0.62 0.00 3.84 -1.26 -4.91 114.94 121.69 2jfd s ASN 811 Ca 0.11 0.14 0.40 0.00 0.21 0.00 0.00 52.86 53.72 2jfd s ASN 811 Cb -0.16 -2.43 2.07 0.00 -0.55 0.00 0.00 41.25 40.17 2jfd s ASN 811 CO -0.27 -0.97 2.25 -0.65 -2.79 0.00 0.00 177.10 174.67 2jfd h PRO 812 N 8.94 0.00 -0.97 0.43 0.11 -1.93 -2.61 132.00 135.97 2jfd h PRO 812 Ca -0.24 0.00 0.29 0.00 0.11 0.00 0.00 66.00 66.16 2jfd h PRO 812 Cb 1.08 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.02 2jfd h PRO 812 CO 1.00 0.01 0.15 -0.91 -0.21 0.00 0.00 178.00 178.04 2jfd h ASN 813 N 0.00 -0.25 -0.52 -2.05 2.35 -1.91 0.19 115.58 113.39 2jfd h ASN 813 Ca -0.00 0.26 0.15 0.00 -0.55 0.00 0.00 56.30 56.16 2jfd h ASN 813 Cb 0.15 0.41 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 2jfd h ASN 813 CO 0.00 -0.33 0.40 0.00 -1.65 0.00 0.00 177.43 175.85 2jfd h ALA 814 N 1.94 2.43 0.00 -0.83 0.00 -1.80 -1.13 119.26 119.87 2jfd h ALA 814 Ca 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.52 2jfd h ALA 814 Cb 1.38 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2jfd h ALA 814 CO -0.84 -0.67 0.00 1.28 0.00 0.00 0.00 179.25 179.02 2jfd n LEU 815 N -4.23 0.45 -4.58 0.00 4.77 0.66 -4.87 117.00 109.20 2jfd n LEU 815 Ca 0.10 0.55 -0.27 0.00 -0.03 0.00 0.00 56.01 56.36 2jfd n LEU 815 Cb 0.62 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2jfd n LEU 815 CO 0.35 -0.15 -0.34 -0.36 -1.33 0.00 0.00 177.39 175.57 2jfd s PHE 816 N -3.07 2.46 0.68 -1.77 0.40 -0.43 -4.62 117.98 111.63 2jfd s PHE 816 Ca 0.11 -0.56 -0.16 0.00 -0.60 0.00 0.00 56.93 55.72 2jfd s PHE 816 Cb 0.14 -1.55 0.01 0.00 0.51 0.00 0.00 43.02 42.14 2jfd s PHE 816 CO 0.54 0.52 1.21 -2.14 0.70 0.00 0.00 175.22 176.04 2jfd s PRO 817 N -3.66 2.46 0.63 0.24 0.02 -1.26 -4.95 135.00 128.48 2jfd s PRO 817 Ca 0.34 1.77 -0.12 0.00 0.02 0.00 0.00 61.00 63.01 2jfd s PRO 817 Cb 0.05 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.67 2jfd s PRO 817 CO 0.17 -1.59 1.04 -1.25 -0.33 0.00 0.00 177.00 175.04 2jfd s PRO 818 N -3.72 3.39 -0.00 5.54 0.04 -1.26 -4.99 135.00 133.99 2jfd s PRO 818 Ca 0.75 0.89 0.12 0.00 0.04 0.00 0.00 61.00 62.81 2jfd s PRO 818 Cb -0.30 -2.05 -0.14 0.00 0.04 0.00 0.00 34.50 32.05 2jfd s PRO 818 CO 0.41 -0.74 0.47 1.33 0.04 0.00 0.00 177.00 178.52 2jfd n VAL 819 N -2.66 0.00 -4.24 -0.36 0.24 -1.26 -4.99 118.33 105.06 2jfd n VAL 819 Ca 0.07 -0.23 -0.16 0.00 -2.04 0.00 0.00 64.34 61.98 2jfd n VAL 819 Cb 0.54 0.87 -0.11 0.00 -1.47 0.00 0.00 33.84 33.67 2jfd n VAL 819 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2jfd s GLU 820 N -2.26 1.03 0.44 7.34 8.01 -1.26 -4.95 118.70 127.05 2jfd s GLU 820 Ca 0.03 -1.32 -0.22 0.00 0.01 0.00 0.00 54.97 53.47 2jfd s GLU 820 Cb 0.09 -0.78 -0.09 0.00 -4.31 0.00 0.00 34.13 29.04 2jfd s GLU 820 CO 0.50 0.13 1.04 -0.06 0.01 0.00 0.00 175.26 176.88 2jfd s PHE 821 N -2.60 3.13 0.00 1.61 0.40 -1.26 -5.23 117.98 114.02 2jfd s PHE 821 Ca 0.12 1.61 0.00 0.00 -0.60 0.00 0.00 56.93 58.06 2jfd s PHE 821 Cb -0.02 -3.09 0.00 0.00 0.51 0.00 0.00 43.02 40.42 2jfd s PHE 821 CO 0.02 -0.72 0.00 -2.30 0.70 0.00 0.00 175.22 172.92