#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfd h SER 420 N 0.00 0.91 -1.75 2.61 4.64 -2.01 -3.46 113.55 114.49 2jfd h SER 420 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.66 2jfd h SER 420 Cb 0.00 -0.19 0.08 0.00 -0.31 0.00 0.00 62.40 61.97 2jfd h SER 420 CO 0.00 0.59 0.20 0.80 -0.87 0.00 0.00 176.83 177.55 2jfd n MET 421 N -4.48 0.95 -4.03 4.77 0.00 -1.26 -4.98 117.12 108.09 2jfd n MET 421 Ca 0.13 0.34 -0.09 0.00 -0.00 0.00 0.00 57.70 58.08 2jfd n MET 421 Cb 0.18 -1.81 -0.11 0.00 0.00 0.00 0.00 33.22 31.48 2jfd n MET 421 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2jfd s ARG 422 N -0.32 0.43 -0.14 2.12 1.81 -0.03 -5.00 118.95 117.83 2jfd s ARG 422 Ca 0.75 -0.79 -0.17 0.00 -1.72 0.00 0.00 55.73 53.80 2jfd s ARG 422 Cb -0.91 0.05 -0.04 0.00 -0.45 0.00 0.00 34.95 33.60 2jfd s ARG 422 CO 0.53 -0.04 0.42 -1.17 -0.68 0.00 0.00 175.30 174.35 2jfd s LEU 423 N -1.85 4.25 -0.14 2.53 2.96 -1.26 -0.09 118.68 125.07 2jfd s LEU 423 Ca -0.09 0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 54.51 2jfd s LEU 423 Cb -0.06 -2.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 2jfd s LEU 423 CO -0.03 0.01 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.68 2jfd s LEU 424 N 0.71 2.80 0.09 -0.68 2.96 0.46 -4.86 118.68 120.17 2jfd s LEU 424 Ca 0.23 -0.30 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 2jfd s LEU 424 Cb -0.14 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2jfd s LEU 424 CO 0.08 0.15 -0.18 0.00 -1.32 0.00 0.00 176.35 175.08 2jfd s ARG 425 N 0.43 1.87 0.05 1.98 1.70 -1.26 -0.61 118.95 123.11 2jfd s ARG 425 Ca -0.09 -1.12 -0.01 0.00 -0.47 0.00 0.00 55.73 54.04 2jfd s ARG 425 Cb -0.16 -2.13 -0.04 0.00 -0.57 0.00 0.00 34.95 32.05 2jfd s ARG 425 CO 0.04 0.50 -0.02 0.00 -1.08 0.00 0.00 175.30 174.74 2jfd s ALA 426 N -1.08 0.48 0.05 7.88 0.00 0.18 -4.54 121.76 124.73 2jfd s ALA 426 Ca 0.17 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 2jfd s ALA 426 Cb -0.11 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.30 2jfd s ALA 426 CO 0.09 -0.37 0.25 -1.12 0.00 0.00 0.00 175.76 174.61 2jfd s SER 427 N -2.90 -0.05 0.00 0.00 0.01 -1.26 -1.02 113.70 108.48 2jfd s SER 427 Ca 0.07 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2jfd s SER 427 Cb 0.08 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2jfd s SER 427 CO -0.10 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2jfd n GLY 428 N 0.58 0.97 0.00 3.44 0.00 0.57 -4.70 105.19 106.05 2jfd n GLY 428 Ca -0.18 -0.74 0.10 0.00 0.00 0.00 0.00 46.02 45.20 2jfd n GLY 428 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jfd n ARG 429 N -0.19 0.71 -3.67 1.61 1.74 -1.26 -1.62 116.66 113.99 2jfd n ARG 429 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 2jfd n ARG 429 Cb 0.00 -1.44 -0.08 0.00 -1.02 0.00 0.00 32.46 29.92 2jfd n ARG 429 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2jfd s THR 430 N -2.00 0.02 0.30 0.55 -1.32 -1.26 -4.78 115.64 107.16 2jfd s THR 430 Ca 0.30 -0.20 0.04 0.00 -1.21 0.00 0.00 61.69 60.62 2jfd s THR 430 Cb 0.14 -0.76 0.30 0.00 -1.51 0.00 0.00 72.50 70.66 2jfd s THR 430 CO 0.23 -0.11 1.83 1.55 -2.21 0.00 0.00 174.62 175.91 2jfd h PRO 431 N 3.96 0.85 -0.20 7.08 0.13 -1.93 -0.15 132.00 141.75 2jfd h PRO 431 Ca -0.28 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 2jfd h PRO 431 Cb 1.16 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2jfd h PRO 431 CO 0.34 0.57 -0.11 0.93 -0.23 0.00 0.00 178.00 179.49 2jfd h GLU 432 N 0.88 0.31 -0.61 0.86 3.07 -1.96 -0.23 114.58 116.91 2jfd h GLU 432 Ca 0.51 -0.07 0.06 0.00 -0.50 0.00 0.00 59.36 59.35 2jfd h GLU 432 Cb 0.64 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.45 2jfd h GLU 432 CO -0.28 0.44 0.32 0.00 -1.40 0.00 0.00 179.01 178.09 2jfd h ALA 433 N 1.59 0.80 -0.07 3.43 0.00 -1.40 -0.35 119.26 123.27 2jfd h ALA 433 Ca 0.06 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2jfd h ALA 433 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jfd h ALA 433 CO 0.02 -0.01 -0.34 0.28 0.00 0.00 0.00 179.25 179.20 2jfd h VAL 434 N 0.60 1.42 -0.15 0.00 2.07 -0.93 -1.00 116.25 118.26 2jfd h VAL 434 Ca 0.27 -1.75 0.03 0.00 0.82 0.00 0.00 66.70 66.08 2jfd h VAL 434 Cb 0.18 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 2jfd h VAL 434 CO -0.18 0.50 -0.06 1.56 0.02 0.00 0.00 177.57 179.41 2jfd h GLN 435 N -0.14 -0.03 -0.97 1.57 1.08 -1.01 0.53 115.11 116.14 2jfd h GLN 435 Ca -0.02 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.28 2jfd h GLN 435 Cb 0.99 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 28.35 2jfd h GLN 435 CO 0.07 -0.02 0.60 0.87 -0.95 0.00 0.00 178.83 179.40 2jfd h LYS 436 N -0.03 0.98 -0.08 1.46 6.56 -1.05 0.22 116.57 124.63 2jfd h LYS 436 Ca 0.08 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 2jfd h LYS 436 Cb 0.15 -0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 31.59 2jfd h LYS 436 CO -0.18 0.65 0.01 1.25 -2.06 0.00 0.00 179.45 179.12 2jfd h LEU 437 N 1.01 0.13 -0.65 2.94 6.46 0.42 -1.98 115.31 123.64 2jfd h LEU 437 Ca 0.46 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 2jfd h LEU 437 Cb 0.37 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 2jfd h LEU 437 CO -0.23 0.35 0.30 -0.07 -0.62 0.00 0.00 178.44 178.17 2jfd h LEU 438 N -0.10 0.86 -0.90 2.25 3.38 0.58 -1.58 115.31 119.79 2jfd h LEU 438 Ca 0.02 -0.14 0.18 0.00 0.09 0.00 0.00 57.88 58.03 2jfd h LEU 438 Cb 0.28 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 2jfd h LEU 438 CO 0.00 0.76 0.47 -0.33 0.09 0.00 0.00 178.44 179.44 2jfd h GLU 439 N 0.90 0.59 -0.40 1.13 5.08 -0.40 -0.47 114.58 121.01 2jfd h GLU 439 Ca 0.22 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 2jfd h GLU 439 Cb 0.14 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2jfd h GLU 439 CO -0.03 0.39 -0.17 1.96 -1.00 0.00 0.00 179.01 180.17 2jfd h GLN 440 N 0.61 0.82 -0.88 2.33 1.08 -0.52 -1.66 115.11 116.89 2jfd h GLN 440 Ca 0.52 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2jfd h GLN 440 Cb 0.82 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.17 2jfd h GLN 440 CO -0.41 0.97 0.56 0.78 -0.95 0.00 0.00 178.83 179.79 2jfd h GLY 441 N 0.63 1.26 0.93 3.46 0.00 -0.96 -1.73 103.07 106.67 2jfd h GLY 441 Ca 0.09 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.93 2jfd h GLY 441 CO 0.05 0.49 0.16 -2.00 0.00 0.00 0.00 176.54 175.24 2jfd h LEU 442 N 1.21 0.26 0.00 3.11 5.85 -0.78 -0.62 115.31 124.34 2jfd h LEU 442 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2jfd h LEU 442 Cb -0.09 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.89 2jfd h LEU 442 CO -0.06 0.19 0.00 -2.11 -0.34 0.00 0.00 178.44 176.11 2jfd n ARG 443 N -4.94 0.99 -1.39 1.25 0.00 -0.65 -2.10 116.66 109.82 2jfd n ARG 443 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.85 2jfd n ARG 443 Cb 0.05 -1.11 0.09 0.00 -0.00 0.00 0.00 32.46 31.48 2jfd n ARG 443 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2jfd n HIS 444 N -0.61 0.39 -0.33 2.89 8.25 -0.58 -4.94 115.22 120.30 2jfd n HIS 444 Ca 0.05 -1.19 0.20 0.00 -0.26 0.00 0.00 57.72 56.52 2jfd n HIS 444 Cb 0.02 -0.21 0.41 0.00 1.12 0.00 0.00 29.99 31.33 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 1.29 0.39 -0.17 0.41 0.02 -0.60 -1.13 113.55 113.77 2jfd h SER 445 Ca -0.09 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2jfd h SER 445 Cb 1.48 0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.18 2jfd h SER 445 CO 0.13 -0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 2jfd n GLN 446 N -5.07 1.94 -3.19 3.45 3.00 -1.26 -4.70 117.38 111.54 2jfd n GLN 446 Ca 0.28 -1.40 -0.45 0.00 -0.01 0.00 0.00 57.00 55.42 2jfd n GLN 446 Cb 0.85 -1.44 -0.04 0.00 0.00 0.00 0.00 30.24 29.61 2jfd n GLN 446 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2jfd s ASP 447 N -1.67 6.32 0.16 1.08 -1.08 -0.43 -4.92 116.67 116.13 2jfd s ASP 447 Ca 0.34 -1.80 -0.07 0.00 -0.52 0.00 0.00 52.55 50.50 2jfd s ASP 447 Cb 0.19 -2.27 0.03 0.00 -1.46 0.00 0.00 42.92 39.41 2jfd s ASP 447 CO 0.29 -0.95 1.48 0.17 0.52 0.00 0.00 175.17 176.68 2jfd h LEU 448 N 9.34 0.82 -0.98 -1.34 8.10 -1.85 -1.39 115.31 128.00 2jfd h LEU 448 Ca -0.19 -0.41 0.08 0.00 0.11 0.00 0.00 57.88 57.46 2jfd h LEU 448 Cb 1.08 -0.23 -0.07 0.00 -0.44 0.00 0.00 40.66 40.99 2jfd h LEU 448 CO 1.03 1.17 0.63 0.00 -4.11 0.00 0.00 178.44 177.15 2jfd h ALA 449 N 0.85 1.40 0.03 0.17 0.00 -1.91 0.52 119.26 120.32 2jfd h ALA 449 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jfd h ALA 449 Cb 1.07 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2jfd h ALA 449 CO 0.10 0.36 -0.02 0.35 0.00 0.00 0.00 179.25 180.05 2jfd h PHE 450 N 1.10 -0.04 -0.66 0.00 3.57 -1.87 -2.58 116.94 116.45 2jfd h PHE 450 Ca 0.44 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.97 2jfd h PHE 450 Cb 0.26 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 2jfd h PHE 450 CO -0.01 0.36 0.42 -0.07 -2.23 0.00 0.00 178.31 176.78 2jfd h LEU 451 N -0.45 0.70 -0.94 0.59 3.38 -0.98 -1.04 115.31 116.57 2jfd h LEU 451 Ca -0.00 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.06 2jfd h LEU 451 Cb 0.42 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 2jfd h LEU 451 CO 0.01 0.49 0.58 -1.28 0.09 0.00 0.00 178.44 178.33 2jfd h SER 452 N 0.83 0.87 0.25 -0.43 0.87 -0.87 -0.06 113.55 115.02 2jfd h SER 452 Ca 0.26 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2jfd h SER 452 Cb -0.01 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2jfd h SER 452 CO -0.09 0.50 -0.12 -0.03 -0.53 0.00 0.00 176.83 176.56 2jfd h MET 453 N 0.97 -0.33 -0.96 2.24 1.85 -0.95 -2.03 114.93 115.73 2jfd h MET 453 Ca 0.44 0.02 0.16 0.00 -0.61 0.00 0.00 59.70 59.72 2jfd h MET 453 Cb 0.35 0.07 -0.10 0.00 0.43 0.00 0.00 31.60 32.36 2jfd h MET 453 CO -0.23 -0.11 0.56 -0.07 -0.40 0.00 0.00 176.91 176.66 2jfd h LEU 454 N -0.49 0.74 -0.86 3.39 4.07 -0.41 -0.89 115.31 120.84 2jfd h LEU 454 Ca -0.03 0.09 -0.10 0.00 0.08 0.00 0.00 57.88 57.91 2jfd h LEU 454 Cb 0.37 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 2jfd h LEU 454 CO 0.06 0.30 -0.25 0.78 -1.08 0.00 0.00 178.44 178.25 2jfd h ASN 455 N 0.77 0.56 -0.71 -0.43 2.35 -0.67 -2.53 115.58 114.92 2jfd h ASN 455 Ca 0.53 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 56.01 2jfd h ASN 455 Cb 0.74 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 2jfd h ASN 455 CO -0.35 0.80 0.17 0.44 -1.65 0.00 0.00 177.43 176.84 2jfd h ASP 456 N 0.48 1.07 -0.21 5.81 3.45 -0.47 -3.04 116.42 123.52 2jfd h ASP 456 Ca 0.07 -0.23 -0.00 0.00 0.43 0.00 0.00 57.03 57.29 2jfd h ASP 456 Cb 0.70 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 2jfd h ASP 456 CO 0.05 1.03 0.12 0.40 -1.57 0.00 0.00 179.24 179.27 2jfd h ILE 457 N 1.07 1.08 0.00 0.35 2.04 -0.96 -3.09 117.51 118.00 2jfd h ILE 457 Ca 0.22 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2jfd h ILE 457 Cb 0.37 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2jfd h ILE 457 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.24 2jfd h ALA 458 N 1.82 1.00 -0.49 1.87 0.00 -1.36 -3.39 119.26 118.70 2jfd h ALA 458 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.68 2jfd h ALA 458 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2jfd h ALA 458 CO -0.01 0.00 0.98 0.00 0.00 0.00 0.00 179.25 180.21 2jfd s ALA 459 N -3.47 1.73 -0.04 0.00 0.00 -1.17 -4.59 121.76 114.22 2jfd s ALA 459 Ca 0.03 -2.02 -0.02 0.00 0.00 0.00 0.00 51.96 49.94 2jfd s ALA 459 Cb 0.09 -4.66 0.03 0.00 0.00 0.00 0.00 23.12 18.59 2jfd s ALA 459 CO 0.43 -5.23 0.07 0.08 0.00 0.00 0.00 175.76 171.12 2jfd s VAL 460 N 11.11 -0.12 0.16 0.00 1.01 -1.26 -5.12 120.40 126.17 2jfd s VAL 460 Ca 0.69 0.39 -0.31 0.00 0.00 0.00 0.00 61.98 62.75 2jfd s VAL 460 Cb -0.02 -0.16 -0.17 0.00 0.00 0.00 0.00 36.38 36.02 2jfd s VAL 460 CO 0.11 0.16 0.71 -2.65 0.00 0.00 0.00 175.10 173.44 2jfd n PRO 461 N 5.15 0.18 -0.28 2.72 -0.02 -1.26 -4.58 135.00 136.90 2jfd n PRO 461 Ca -0.07 0.06 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 2jfd n PRO 461 Cb 0.50 -1.23 0.30 0.00 -0.02 0.00 0.00 33.50 33.05 2jfd n PRO 461 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jfd h ALA 462 N 1.65 1.64 -0.76 3.55 0.00 -1.93 0.12 119.26 123.53 2jfd h ALA 462 Ca -0.35 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.66 2jfd h ALA 462 Cb 1.42 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 2jfd h ALA 462 CO 0.60 0.18 -0.34 2.41 0.00 0.00 0.00 179.25 182.10 2jfd n THR 463 N -4.53 -0.44 -0.05 0.00 -1.04 -1.26 -1.64 114.28 105.32 2jfd n THR 463 Ca 0.15 1.79 -0.06 0.00 -2.04 0.00 0.00 64.05 63.89 2jfd n THR 463 Cb 0.31 -2.32 -0.06 0.00 -1.82 0.00 0.00 70.33 66.44 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 0.84 -0.01 -3.24 2.41 0.00 -1.48 -3.43 119.26 114.35 2jfd h ALA 464 Ca 0.22 -0.23 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 2jfd h ALA 464 Cb 0.41 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.79 2jfd h ALA 464 CO -0.74 -0.01 -0.66 -1.64 0.00 0.00 0.00 179.25 176.20 2jfd s MET 465 N -1.90 1.78 0.00 0.00 -1.94 0.25 -4.68 119.30 112.81 2jfd s MET 465 Ca -0.09 -2.46 0.18 0.00 -1.71 0.00 0.00 55.69 51.61 2jfd s MET 465 Cb -0.01 -3.01 1.05 0.00 2.01 0.00 0.00 34.83 34.87 2jfd s MET 465 CO 0.32 -1.13 1.50 -0.35 -0.01 0.00 0.00 175.02 175.34 2jfd n PRO 466 N 3.20 0.70 -4.69 2.03 -0.04 -0.65 -4.14 135.00 131.42 2jfd n PRO 466 Ca 0.07 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.20 2jfd n PRO 466 Cb 0.33 -1.39 -0.15 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.00 2.79 0.12 0.54 0.08 -0.64 -0.48 117.98 118.39 2jfd s PHE 467 Ca 0.26 -0.80 0.08 0.00 0.12 0.00 0.00 56.93 56.60 2jfd s PHE 467 Cb 0.12 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 2jfd s PHE 467 CO 0.20 -0.32 -0.19 1.03 -0.10 0.00 0.00 175.22 175.84 2jfd s ARG 468 N 0.54 1.14 0.23 0.44 0.52 -0.75 -0.32 118.95 120.76 2jfd s ARG 468 Ca -0.09 -1.22 -0.09 0.00 -0.52 0.00 0.00 55.73 53.80 2jfd s ARG 468 Cb -0.16 -1.31 -0.01 0.00 0.52 0.00 0.00 34.95 33.99 2jfd s ARG 468 CO 0.04 0.29 0.37 0.20 0.02 0.00 0.00 175.30 176.22 2jfd s GLY 469 N -2.14 0.77 0.13 -3.53 0.00 -0.19 -1.42 107.32 100.96 2jfd s GLY 469 Ca 0.09 -1.10 -0.14 0.00 0.00 0.00 0.00 44.72 43.57 2jfd s GLY 469 CO 0.05 -0.85 0.37 -2.52 0.00 0.00 0.00 173.10 170.15 2jfd s TYR 470 N -4.05 -0.07 -0.18 1.90 1.13 0.30 -0.65 117.35 115.73 2jfd s TYR 470 Ca 0.27 -0.28 -0.17 0.00 -1.41 0.00 0.00 57.07 55.47 2jfd s TYR 470 Cb 0.02 0.19 0.05 0.00 -1.10 0.00 0.00 41.96 41.12 2jfd s TYR 470 CO 0.09 -0.71 0.49 0.00 -2.51 0.00 0.00 175.55 172.91 2jfd s ALA 471 N -3.84 -1.22 -0.51 9.51 0.00 0.22 -1.26 121.76 124.65 2jfd s ALA 471 Ca 0.06 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 2jfd s ALA 471 Cb 0.02 -0.78 0.08 0.00 0.00 0.00 0.00 23.12 22.44 2jfd s ALA 471 CO -0.09 -0.24 0.53 0.08 0.00 0.00 0.00 175.76 176.04 2jfd s VAL 472 N 0.20 5.05 0.07 0.00 1.01 -1.26 -0.40 120.40 125.05 2jfd s VAL 472 Ca -0.01 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 2jfd s VAL 472 Cb -0.03 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 2jfd s VAL 472 CO 0.01 -0.76 0.88 -0.76 0.00 0.00 0.00 175.10 174.48 2jfd s LEU 473 N 2.14 4.46 0.00 3.92 1.43 0.86 -4.35 118.68 127.14 2jfd s LEU 473 Ca 0.09 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 2jfd s LEU 473 Cb -0.23 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2jfd s LEU 473 CO 0.08 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.21 2jfd n GLY 474 N 2.43 0.54 3.27 -3.19 0.00 -1.26 -0.85 105.19 106.12 2jfd n GLY 474 Ca 0.01 -1.40 0.09 0.00 0.00 0.00 0.00 46.02 44.72 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 1.36 -1.71 2.39 -0.02 0.00 -1.26 -4.75 105.19 101.20 2jfd n GLY 475 Ca 0.00 -1.19 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.74 1.58 -1.35 1.61 -0.58 -1.26 -4.38 120.64 113.52 2jfd n GLU 476 Ca 0.00 -3.79 -0.18 0.00 -0.42 0.00 0.00 57.16 52.78 2jfd n GLU 476 Cb 0.32 -1.81 0.11 0.00 -0.57 0.00 0.00 31.44 29.49 2jfd n GLU 476 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jfd n ARG 477 N 0.31 2.63 0.01 3.49 5.12 -1.26 -4.87 116.66 122.10 2jfd n ARG 477 Ca 0.26 -3.56 0.11 0.00 -1.93 0.00 0.00 57.85 52.73 2jfd n ARG 477 Cb 0.57 -2.08 -0.04 0.00 -1.16 0.00 0.00 32.46 29.74 2jfd n ARG 477 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jfd n GLY 478 N -0.94 -1.11 3.40 -0.13 0.00 -1.26 -4.60 105.19 100.55 2jfd n GLY 478 Ca 0.43 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2jfd n GLY 478 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jfd n GLY 479 N 1.39 -1.85 3.87 -0.02 0.00 -1.26 -4.28 105.19 103.03 2jfd n GLY 479 Ca 0.02 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.30 3.83 -0.08 1.61 0.04 -1.26 -4.76 135.00 133.08 2jfd s PRO 480 Ca 0.62 0.61 0.02 0.00 0.04 0.00 0.00 61.00 62.29 2jfd s PRO 480 Cb -0.68 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 31.55 2jfd s PRO 480 CO 0.59 -0.09 -0.15 -1.21 0.04 0.00 0.00 177.00 176.19 2jfd s GLU 481 N -3.87 2.01 -0.00 4.56 0.41 -0.39 -4.99 118.70 116.42 2jfd s GLU 481 Ca 0.53 -0.51 0.01 0.00 -0.41 0.00 0.00 54.97 54.59 2jfd s GLU 481 Cb -0.10 -1.63 -0.00 0.00 -1.78 0.00 0.00 34.13 30.62 2jfd s GLU 481 CO 0.31 0.04 -0.03 0.08 -0.49 0.00 0.00 175.26 175.17 2jfd s VAL 482 N 0.66 0.23 0.16 2.63 1.01 -1.26 -0.54 120.40 123.27 2jfd s VAL 482 Ca -0.14 -0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.48 2jfd s VAL 482 Cb -0.16 -0.20 0.07 0.00 0.00 0.00 0.00 36.38 36.09 2jfd s VAL 482 CO 0.04 0.06 0.69 -1.58 0.00 0.00 0.00 175.10 174.32 2jfd s GLN 483 N -0.06 1.30 0.12 2.72 0.74 -0.50 -5.01 119.66 118.97 2jfd s GLN 483 Ca 0.01 -0.56 -0.30 0.00 0.05 0.00 0.00 55.36 54.56 2jfd s GLN 483 Cb -0.01 0.55 -0.06 0.00 1.10 0.00 0.00 33.01 34.58 2jfd s GLN 483 CO -0.00 -0.58 1.03 -1.14 -0.55 0.00 0.00 175.29 174.05 2jfd s GLN 484 N -3.65 4.64 -0.11 1.67 0.74 -1.26 -1.80 119.66 119.88 2jfd s GLN 484 Ca 0.04 1.56 -0.11 0.00 0.05 0.00 0.00 55.36 56.90 2jfd s GLN 484 Cb -0.02 -3.35 -0.05 0.00 1.10 0.00 0.00 33.01 30.70 2jfd s GLN 484 CO -0.07 0.12 0.25 0.08 -0.55 0.00 0.00 175.29 175.11 2jfd s VAL 485 N 0.06 5.32 0.40 1.34 1.01 0.36 -4.93 120.40 123.96 2jfd s VAL 485 Ca 0.49 0.46 -0.21 0.00 0.00 0.00 0.00 61.98 62.72 2jfd s VAL 485 Cb -0.26 -3.55 -0.11 0.00 0.00 0.00 0.00 36.38 32.47 2jfd s VAL 485 CO 0.31 0.52 0.92 -2.16 0.00 0.00 0.00 175.10 174.69 2jfd s PRO 486 N -0.44 4.25 0.66 2.72 0.04 -1.26 -4.84 135.00 136.13 2jfd s PRO 486 Ca 0.17 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 2jfd s PRO 486 Cb -0.13 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 32.10 2jfd s PRO 486 CO 0.05 0.04 1.22 0.00 0.04 0.00 0.00 177.00 178.36 2jfd s ALA 487 N -2.07 2.36 0.00 8.56 0.00 -1.26 -4.91 121.76 124.44 2jfd s ALA 487 Ca 0.59 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2jfd s ALA 487 Cb -0.11 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2jfd s ALA 487 CO 0.15 -1.51 0.00 0.41 0.00 0.00 0.00 175.76 174.82 2jfd n GLY 488 N 0.50 0.84 3.71 0.00 0.00 -1.26 -4.99 105.19 103.98 2jfd n GLY 488 Ca 0.14 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 2jfd n GLY 488 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jfd s GLU 489 N -1.21 4.33 -0.11 1.61 2.56 -1.26 -5.03 118.70 119.60 2jfd s GLU 489 Ca 0.00 0.52 0.02 0.00 0.00 0.00 0.00 54.97 55.51 2jfd s GLU 489 Cb 0.00 -3.46 -0.01 0.00 2.00 0.00 0.00 34.13 32.66 2jfd s GLU 489 CO 0.00 0.09 -0.18 1.03 -0.56 0.00 0.00 175.26 175.64 2jfd s ARG 490 N 0.83 3.13 0.30 4.30 0.52 -1.26 -5.04 118.95 121.73 2jfd s ARG 490 Ca 0.28 -0.77 -0.28 0.00 -0.52 0.00 0.00 55.73 54.44 2jfd s ARG 490 Cb -0.16 -2.46 -0.09 0.00 0.52 0.00 0.00 34.95 32.76 2jfd s ARG 490 CO 0.11 0.26 1.02 -1.25 0.02 0.00 0.00 175.30 175.46 2jfd s PRO 491 N 0.20 4.60 -0.20 3.54 0.04 -1.26 -4.80 135.00 137.12 2jfd s PRO 491 Ca -0.11 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 2jfd s PRO 491 Cb -0.16 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 2jfd s PRO 491 CO 0.06 0.24 0.15 -1.17 0.04 0.00 0.00 177.00 176.32 2jfd s LEU 492 N -1.72 4.21 -0.04 -3.56 2.96 -1.26 -1.00 118.68 118.28 2jfd s LEU 492 Ca 0.47 0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.69 2jfd s LEU 492 Cb -0.26 -2.13 -0.00 0.00 0.50 0.00 0.00 46.19 44.30 2jfd s LEU 492 CO 0.33 0.17 -0.16 0.26 -1.32 0.00 0.00 176.35 175.62 2jfd s TRP 493 N 0.39 1.61 -0.22 5.38 0.52 0.69 0.29 118.94 127.60 2jfd s TRP 493 Ca 0.09 -0.45 -0.10 0.00 0.02 0.00 0.00 56.10 55.67 2jfd s TRP 493 Cb -0.11 -1.09 -0.05 0.00 -1.15 0.00 0.00 33.47 31.07 2jfd s TRP 493 CO -0.01 -0.15 0.14 -0.06 0.02 0.00 0.00 176.95 176.89 2jfd s PHE 494 N 0.02 3.32 -0.16 -1.98 2.99 -0.31 -1.05 117.98 120.82 2jfd s PHE 494 Ca -0.03 0.21 -0.01 0.00 0.00 0.00 0.00 56.93 57.10 2jfd s PHE 494 Cb -0.11 -2.22 -0.01 0.00 0.00 0.00 0.00 43.02 40.69 2jfd s PHE 494 CO 0.02 0.12 -0.11 0.42 -0.00 0.00 0.00 175.22 175.67 2jfd s ILE 495 N 0.81 3.09 -0.30 0.64 -1.09 -0.39 -1.44 121.20 122.53 2jfd s ILE 495 Ca 0.07 -0.63 -0.06 0.00 -2.23 0.00 0.00 60.65 57.80 2jfd s ILE 495 Cb -0.13 -2.33 0.02 0.00 -1.58 0.00 0.00 42.46 38.44 2jfd s ILE 495 CO 0.02 0.50 0.07 0.00 -1.23 0.00 0.00 174.94 174.30 2jfd s SER 497 N 1.46 5.20 0.00 0.00 0.01 -1.16 -0.60 113.70 118.61 2jfd s SER 497 Ca 0.01 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.45 2jfd s SER 497 Cb -0.18 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.09 2jfd s SER 497 CO 0.02 -1.50 0.00 0.61 0.41 0.00 0.00 173.24 172.77 2jfd n GLY 498 N -2.77 -0.16 3.51 3.44 0.00 -1.10 -3.55 105.19 104.56 2jfd n GLY 498 Ca 0.07 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2jfd n GLY 498 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2jfd n MET 499 N -2.24 0.19 -4.25 1.61 0.00 -1.26 -3.97 117.12 107.21 2jfd n MET 499 Ca 0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 57.70 57.23 2jfd n MET 499 Cb 0.00 -1.82 -0.07 0.00 0.00 0.00 0.00 33.22 31.33 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 6.05 -0.27 1.59 -5.12 0.00 -1.26 -4.86 105.19 101.32 2jfd n GLY 500 Ca 0.61 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.73 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 -4.67 2.09 -3.44 2.61 -2.24 -1.25 -4.95 114.28 102.42 2jfd n THR 501 Ca -0.28 -0.96 -0.30 0.00 -2.27 0.00 0.00 64.05 60.23 2jfd n THR 501 Cb 0.67 -0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 68.01 2jfd n THR 501 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jfd s GLN 502 N -1.51 3.70 -0.02 -0.78 0.00 -1.26 -3.81 119.66 115.98 2jfd s GLN 502 Ca 0.26 0.09 -0.29 0.00 -0.00 0.00 0.00 55.36 55.42 2jfd s GLN 502 Cb 0.22 -2.69 0.09 0.00 0.00 0.00 0.00 33.01 30.63 2jfd s GLN 502 CO 0.04 0.31 0.80 1.67 0.00 0.00 0.00 175.29 178.11 2jfd s TRP 503 N -1.89 -0.48 -0.54 9.60 1.48 -1.26 -5.06 118.94 120.79 2jfd s TRP 503 Ca 0.45 0.59 -0.27 0.00 -1.06 0.00 0.00 56.10 55.81 2jfd s TRP 503 Cb -0.11 0.49 -0.01 0.00 -1.16 0.00 0.00 33.47 32.67 2jfd s TRP 503 CO 0.25 -0.57 1.77 -0.98 -4.06 0.00 0.00 176.95 173.36 2jfd s ARG 504 N -2.22 2.90 0.00 3.25 3.03 -1.26 -2.40 118.95 122.25 2jfd s ARG 504 Ca -0.02 0.76 0.00 0.00 2.03 0.00 0.00 55.73 58.50 2jfd s ARG 504 Cb -0.01 -4.30 0.00 0.00 -1.03 0.00 0.00 34.95 29.61 2jfd s ARG 504 CO -0.02 -2.40 0.00 0.41 -1.13 0.00 0.00 175.30 172.16 2jfd n GLY 505 N 5.56 1.40 3.56 3.88 0.00 -1.26 -4.96 105.19 113.36 2jfd n GLY 505 Ca 0.19 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.88 0.78 0.00 1.61 0.00 -1.01 -3.29 117.12 114.34 2jfd n MET 506 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 57.70 57.98 2jfd n MET 506 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 33.22 31.37 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 2.16 3.00 0.18 3.03 0.00 -1.26 -4.80 105.19 107.50 2jfd n GLY 507 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 0.32 -0.35 0.99 4.07 -1.88 -0.09 115.31 118.37 2jfd h LEU 508 Ca 0.00 0.02 0.03 0.00 0.08 0.00 0.00 57.88 58.02 2jfd h LEU 508 Cb 0.00 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 41.66 2jfd h LEU 508 CO 0.00 0.23 -0.21 -1.54 -1.08 0.00 0.00 178.44 175.84 2jfd n SER 509 N -4.91 -0.37 -0.07 -0.43 3.41 -1.26 -1.70 113.62 108.29 2jfd n SER 509 Ca 0.03 0.76 0.15 0.00 -0.26 0.00 0.00 58.87 59.54 2jfd n SER 509 Cb 0.11 -0.15 0.70 0.00 -0.26 0.00 0.00 64.21 64.61 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 -4.00 0.27 0.21 1.04 4.77 -0.34 -3.95 117.00 114.99 2jfd n LEU 510 Ca 0.01 0.10 0.15 0.00 -0.03 0.00 0.00 56.01 56.24 2jfd n LEU 510 Cb 0.09 -0.20 0.66 0.00 -2.33 0.00 0.00 43.42 41.65 2jfd n LEU 510 CO -0.06 0.05 0.94 -0.03 -1.33 0.00 0.00 177.39 176.96 2jfd h MET 511 N 0.33 0.00 0.00 3.23 4.05 -0.18 -2.08 114.93 120.27 2jfd h MET 511 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 2jfd h MET 511 Cb 0.30 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 2jfd h MET 511 CO 0.00 0.00 -0.21 0.00 0.23 0.00 0.00 176.91 176.93 2jfd h ARG 512 N 0.00 0.00 -6.38 0.39 3.08 -1.73 -3.36 114.38 106.37 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 0.31 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 2jfd h ARG 512 CO 0.00 0.21 1.01 -0.51 -1.07 0.00 0.00 179.97 179.61 2jfd s LEU 513 N -8.31 3.82 0.25 3.04 1.43 -0.78 -4.90 118.68 113.22 2jfd s LEU 513 Ca -0.03 1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 54.20 2jfd s LEU 513 Cb 0.15 -3.54 0.47 0.00 0.03 0.00 0.00 46.19 43.30 2jfd s LEU 513 CO 0.68 -1.17 1.75 0.44 0.23 0.00 0.00 176.35 178.28 2jfd h ASP 514 N 9.73 0.40 -0.92 2.29 3.32 -1.82 0.23 116.42 129.64 2jfd h ASP 514 Ca -0.27 0.10 0.06 0.00 0.02 0.00 0.00 57.03 56.93 2jfd h ASP 514 Cb 1.10 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.64 2jfd h ASP 514 CO 1.04 0.17 0.60 0.03 -1.72 0.00 0.00 179.24 179.36 2jfd h ARG 515 N 0.53 1.06 0.47 3.56 -0.00 -1.91 0.44 114.38 118.53 2jfd h ARG 515 Ca 0.42 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.98 59.82 2jfd h ARG 515 Cb 0.60 -0.24 0.00 0.00 0.00 0.00 0.00 29.97 30.34 2jfd h ARG 515 CO -0.37 0.70 -0.22 0.35 0.00 0.00 0.00 179.97 180.43 2jfd h PHE 516 N 1.09 -0.58 -0.77 3.04 3.04 -0.96 -1.76 116.94 120.04 2jfd h PHE 516 Ca 0.39 -0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.48 2jfd h PHE 516 Cb 0.13 0.19 -0.10 0.00 2.56 0.00 0.00 35.95 38.73 2jfd h PHE 516 CO -0.00 -0.27 0.27 0.07 -2.02 0.00 0.00 178.31 176.36 2jfd h ARG 517 N -1.05 0.37 -0.51 1.11 -0.00 -0.74 -1.00 114.38 112.55 2jfd h ARG 517 Ca -0.06 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.98 59.86 2jfd h ARG 517 Cb 0.57 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 30.43 2jfd h ARG 517 CO 0.11 0.24 0.16 -0.44 -0.00 0.00 0.00 179.97 180.04 2jfd h ASP 518 N 0.38 0.70 -0.13 0.08 3.45 -0.08 -1.16 116.42 119.65 2jfd h ASP 518 Ca 0.44 -0.10 -0.00 0.00 0.43 0.00 0.00 57.03 57.79 2jfd h ASP 518 Cb 0.72 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.30 2jfd h ASP 518 CO -0.46 0.66 0.08 -1.28 -1.57 0.00 0.00 179.24 176.67 2jfd h SER 519 N 0.74 0.15 -0.65 6.45 0.87 -0.27 -0.93 113.55 119.91 2jfd h SER 519 Ca 0.17 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 2jfd h SER 519 Cb 0.22 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 2jfd h SER 519 CO -0.01 0.16 0.09 0.40 -0.53 0.00 0.00 176.83 176.94 2jfd h ILE 520 N 0.13 1.26 -0.49 2.23 2.04 -0.76 0.12 117.51 122.04 2jfd h ILE 520 Ca 0.05 -1.06 -0.06 0.00 1.00 0.00 0.00 64.86 64.79 2jfd h ILE 520 Cb 0.04 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2jfd h ILE 520 CO -0.01 0.40 0.08 -0.07 0.00 0.00 0.00 178.15 178.55 2jfd h LEU 521 N 1.03 0.78 -1.48 1.44 3.38 -1.19 0.31 115.31 119.57 2jfd h LEU 521 Ca 0.20 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 58.03 2jfd h LEU 521 Cb 0.46 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2jfd h LEU 521 CO 0.02 0.84 0.50 0.03 0.09 0.00 0.00 178.44 179.91 2jfd h ARG 522 N 0.69 0.53 -0.25 1.13 3.08 -0.46 -0.70 114.38 118.40 2jfd h ARG 522 Ca 0.15 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 2jfd h ARG 522 Cb 0.39 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2jfd h ARG 522 CO 0.01 0.35 -0.13 0.77 -1.07 0.00 0.00 179.97 179.90 2jfd h SER 523 N 0.55 0.55 -0.98 7.04 0.02 0.06 -3.02 113.55 117.76 2jfd h SER 523 Ca 0.36 -0.42 0.17 0.00 -0.84 0.00 0.00 61.79 61.06 2jfd h SER 523 Cb 0.64 -0.15 -0.10 0.00 0.14 0.00 0.00 62.40 62.93 2jfd h SER 523 CO -0.13 0.84 0.59 0.44 -1.14 0.00 0.00 176.83 177.44 2jfd h ASP 524 N 0.25 0.79 -0.76 3.07 3.32 0.48 -0.13 116.42 123.44 2jfd h ASP 524 Ca 0.05 0.08 0.13 0.00 0.02 0.00 0.00 57.03 57.32 2jfd h ASP 524 Cb 0.64 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.04 2jfd h ASP 524 CO 0.04 0.32 0.33 -0.33 -1.72 0.00 0.00 179.24 177.89 2jfd h GLU 525 N 0.81 0.48 -0.16 3.56 3.07 -1.17 0.29 114.58 121.46 2jfd h GLU 525 Ca 0.54 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.35 2jfd h GLU 525 Cb 0.76 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2jfd h GLU 525 CO -0.35 0.32 -0.00 0.00 -1.40 0.00 0.00 179.01 177.58 2jfd h ALA 526 N 1.53 1.71 -0.28 3.43 0.00 -1.04 -2.98 119.26 121.63 2jfd h ALA 526 Ca 0.41 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 2jfd h ALA 526 Cb 0.59 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2jfd h ALA 526 CO -0.37 0.22 -0.01 0.28 0.00 0.00 0.00 179.25 179.36 2jfd n VAL 527 N -4.40 2.35 0.12 0.00 0.31 -0.05 -4.63 118.33 112.03 2jfd n VAL 527 Ca -0.01 -2.17 -0.13 0.00 -0.01 0.00 0.00 64.34 62.03 2jfd n VAL 527 Cb 0.16 -0.28 -0.06 0.00 -0.91 0.00 0.00 33.84 32.76 2jfd n VAL 527 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2jfd h LYS 528 N 1.41 -0.38 -7.23 5.55 1.79 -0.37 -2.55 116.57 114.79 2jfd h LYS 528 Ca 0.08 0.03 -0.46 0.00 -2.18 0.00 0.00 60.65 58.11 2jfd h LYS 528 Cb 1.50 0.09 0.19 0.00 -1.58 0.00 0.00 32.23 32.43 2jfd h LYS 528 CO 0.27 -0.25 0.12 -1.25 -1.08 0.00 0.00 179.45 177.26 2jfd s PRO 529 N -6.10 0.03 0.00 3.15 0.04 -1.26 -2.38 135.00 128.48 2jfd s PRO 529 Ca -0.15 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.82 2jfd s PRO 529 Cb 0.07 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.96 2jfd s PRO 529 CO 0.65 -3.11 0.00 1.19 0.04 0.00 0.00 177.00 175.77 2jfd n PHE 530 N -4.50 0.00 -3.72 0.56 3.01 -1.26 -4.18 117.46 107.37 2jfd n PHE 530 Ca 0.06 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.26 2jfd n PHE 530 Cb 0.54 -1.06 0.00 0.00 -0.01 0.00 0.00 39.48 38.96 2jfd n PHE 530 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jfd n GLY 531 N -1.41 -1.04 2.81 1.37 0.00 -1.00 -4.99 105.19 100.92 2jfd n GLY 531 Ca 0.00 0.47 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 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 -5.13 1.06 -0.42 0.99 1.43 -0.96 -5.08 118.68 110.58 2jfd s LEU 532 Ca 0.09 -0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 2jfd s LEU 532 Cb -0.05 -0.25 0.09 0.00 0.03 0.00 0.00 46.19 46.01 2jfd s LEU 532 CO 0.79 -0.11 0.25 -1.59 0.23 0.00 0.00 176.35 175.91 2jfd s LYS 533 N 1.16 2.43 0.29 1.70 0.00 -1.26 -4.22 119.74 119.83 2jfd s LYS 533 Ca -0.08 -1.59 0.03 0.00 0.00 0.00 0.00 55.97 54.33 2jfd s LYS 533 Cb -0.13 -3.72 0.66 0.00 0.00 0.00 0.00 37.83 34.63 2jfd s LYS 533 CO -0.02 -1.01 1.79 0.28 0.00 0.00 0.00 175.35 176.39 2jfd h VAL 534 N 6.18 0.77 -0.09 1.79 2.07 -1.90 0.78 116.25 125.84 2jfd h VAL 534 Ca -0.20 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2jfd h VAL 534 Cb 1.07 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2jfd h VAL 534 CO 0.75 0.15 0.05 0.77 0.02 0.00 0.00 177.57 179.31 2jfd h SER 535 N 0.80 0.11 -0.96 0.57 4.64 -1.93 0.21 113.55 117.00 2jfd h SER 535 Ca 0.54 -0.07 0.10 0.00 -0.47 0.00 0.00 61.79 61.89 2jfd h SER 535 Cb 0.75 -0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 62.74 2jfd h SER 535 CO -0.35 0.15 0.61 1.56 -0.87 0.00 0.00 176.83 177.93 2jfd h GLN 536 N 0.07 0.96 0.04 4.77 7.50 -1.32 0.76 115.11 127.89 2jfd h GLN 536 Ca 0.03 -0.06 -0.00 0.00 0.50 0.00 0.00 58.65 59.12 2jfd h GLN 536 Cb 0.06 -0.22 -0.00 0.00 0.05 0.00 0.00 27.48 27.37 2jfd h GLN 536 CO -0.01 0.63 -0.02 -0.07 -1.50 0.00 0.00 178.83 177.86 2jfd h LEU 537 N 0.98 -0.06 -0.24 1.46 3.38 0.11 0.28 115.31 121.22 2jfd h LEU 537 Ca 0.45 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.33 2jfd h LEU 537 Cb 0.39 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2jfd h LEU 537 CO -0.21 -0.04 -0.21 -0.07 0.09 0.00 0.00 178.44 178.00 2jfd h LEU 538 N -0.06 0.61 -0.86 1.67 3.38 0.04 -2.92 115.31 117.17 2jfd h LEU 538 Ca -0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2jfd h LEU 538 Cb 0.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2jfd h LEU 538 CO 0.01 0.94 0.00 0.17 0.09 0.00 0.00 178.44 179.65 2jfd h LEU 539 N 0.28 0.00-10.05 1.67 -0.00 0.62 -3.41 115.31 104.42 2jfd h LEU 539 Ca 0.04 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.43 2jfd h LEU 539 Cb 0.76 0.00 0.21 0.00 -0.00 0.00 0.00 40.66 41.63 2jfd h LEU 539 CO 0.05 0.00 -0.19 -0.24 -0.00 0.00 0.00 178.44 178.07 2jfd n SER 540 N -2.32 -1.13 -0.86 0.17 2.88 0.96 -4.99 113.62 108.33 2jfd n SER 540 Ca 0.02 0.16 0.02 0.00 -1.33 0.00 0.00 58.87 57.74 2jfd n SER 540 Cb 0.21 -1.29 0.02 0.00 -0.75 0.00 0.00 64.21 62.41 2jfd n SER 540 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2jfd n THR 541 N -4.37 0.21 -3.51 2.46 -2.24 -1.26 -4.75 114.28 100.81 2jfd n THR 541 Ca 0.07 -0.65 -0.37 0.00 -2.27 0.00 0.00 64.05 60.82 2jfd n THR 541 Cb 0.54 0.62 -0.08 0.00 -2.10 0.00 0.00 70.33 69.31 2jfd n THR 541 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jfd s ASP 542 N -1.59 6.30 0.61 3.42 2.15 -1.26 -4.97 116.67 121.34 2jfd s ASP 542 Ca 0.16 0.34 0.38 0.00 0.43 0.00 0.00 52.55 53.87 2jfd s ASP 542 Cb 0.18 -2.17 2.00 0.00 -0.30 0.00 0.00 42.92 42.63 2jfd s ASP 542 CO -0.07 -0.00 2.23 1.05 -0.17 0.00 0.00 175.17 178.21 2jfd h GLU 543 N 7.37 0.00 -0.02 4.34 4.11 -2.01 -0.56 114.58 127.82 2jfd h GLU 543 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2jfd h GLU 543 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2jfd h GLU 543 CO 0.70 0.02 -0.15 -1.13 0.07 0.00 0.00 179.01 178.51 2jfd n SER 544 N -3.23 1.91 -0.36 3.06 3.41 -1.26 -4.57 113.62 112.58 2jfd n SER 544 Ca -0.02 -1.51 0.08 0.00 -0.26 0.00 0.00 58.87 57.16 2jfd n SER 544 Cb 0.15 0.12 0.25 0.00 -0.26 0.00 0.00 64.21 64.47 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 2.76 0.88 -0.58 6.66 1.03 -1.50 -0.05 112.91 122.11 2jfd h THR 545 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 66.41 66.08 2jfd h THR 545 Cb 0.69 -0.14 0.00 0.00 -1.07 0.00 0.00 68.15 67.63 2jfd h THR 545 CO 0.00 0.17 0.00 0.49 -0.01 0.00 0.00 175.52 176.17 2jfd n PHE 546 N -4.66 0.90 0.23 0.00 3.01 -1.26 -3.75 117.46 111.93 2jfd n PHE 546 Ca 0.19 -0.42 0.11 0.00 1.01 0.00 0.00 57.45 58.34 2jfd n PHE 546 Cb 0.39 -0.05 0.45 0.00 -0.01 0.00 0.00 39.48 40.26 2jfd n PHE 546 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2jfd h ASP 547 N 3.45 0.00 -3.34 4.37 3.32 -1.29 -3.41 116.42 119.51 2jfd h ASP 547 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2jfd h ASP 547 Cb 0.90 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.48 2jfd h ASP 547 CO 0.04 0.19 0.66 -0.62 -1.72 0.00 0.00 179.24 177.79 2jfd s ASP 548 N -6.12 6.89 0.09 6.45 3.68 -1.25 -4.96 116.67 121.46 2jfd s ASP 548 Ca 0.01 2.38 -0.18 0.00 2.13 0.00 0.00 52.55 56.90 2jfd s ASP 548 Cb 0.09 -2.61 -0.08 0.00 -1.45 0.00 0.00 42.92 38.88 2jfd s ASP 548 CO 0.63 -0.54 1.51 -0.29 0.13 0.00 0.00 175.17 176.61 2jfd h ILE 549 N 3.81 1.26 -0.48 4.11 2.10 -1.91 -2.46 117.51 123.95 2jfd h ILE 549 Ca -0.44 -0.96 -0.07 0.00 1.08 0.00 0.00 64.86 64.47 2jfd h ILE 549 Cb 1.21 1.38 -0.02 0.00 -1.09 0.00 0.00 36.82 38.30 2jfd h ILE 549 CO 0.78 0.30 0.03 0.58 -1.08 0.00 0.00 178.15 178.77 2jfd h VAL 550 N 0.24 1.26 0.01 2.19 2.07 -1.91 0.14 116.25 120.24 2jfd h VAL 550 Ca 0.07 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.62 2jfd h VAL 550 Cb 0.45 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 2jfd h VAL 550 CO 0.02 0.35 -0.37 0.45 0.02 0.00 0.00 177.57 178.04 2jfd h HIS 551 N 0.68 -1.03 0.62 1.57 3.86 -1.88 -1.52 115.15 117.46 2jfd h HIS 551 Ca 0.14 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2jfd h HIS 551 Cb 0.46 0.45 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 2jfd h HIS 551 CO 0.03 -0.46 -0.38 0.77 0.86 0.00 0.00 177.93 178.75 2jfd h SER 552 N -0.53 -0.97 -0.54 2.45 0.02 -1.26 -1.12 113.55 111.60 2jfd h SER 552 Ca 0.05 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.15 2jfd h SER 552 Cb 0.61 0.29 -0.10 0.00 0.14 0.00 0.00 62.40 63.33 2jfd h SER 552 CO -0.29 -0.60 -0.39 -0.26 -1.14 0.00 0.00 176.83 174.15 2jfd h PHE 553 N -0.95 -1.12 -0.29 3.45 -1.00 -0.87 0.32 116.94 116.48 2jfd h PHE 553 Ca -0.08 0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 2jfd h PHE 553 Cb 0.77 0.57 -0.01 0.00 3.61 0.00 0.00 35.95 40.89 2jfd h PHE 553 CO -0.10 -0.41 0.13 0.28 -1.61 0.00 0.00 178.31 176.59 2jfd h VAL 554 N -0.23 1.17 -0.22 -0.55 2.07 -1.26 -2.03 116.25 115.21 2jfd h VAL 554 Ca 0.19 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.24 2jfd h VAL 554 Cb 0.56 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2jfd h VAL 554 CO -0.65 0.17 0.04 0.28 0.02 0.00 0.00 177.57 177.43 2jfd h SER 555 N 0.32 0.00 0.01 0.57 0.02 -0.29 0.41 113.55 114.58 2jfd h SER 555 Ca 0.10 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2jfd h SER 555 Cb 0.15 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 2jfd h SER 555 CO -0.01 0.03 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.28 2jfd h LEU 556 N 0.12 -1.09 -0.85 5.07 3.38 -0.30 -1.43 115.31 120.21 2jfd h LEU 556 Ca 0.10 0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 2jfd h LEU 556 Cb 0.10 0.43 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2jfd h LEU 556 CO -0.14 -0.42 -0.12 0.74 0.09 0.00 0.00 178.44 178.60 2jfd h THR 557 N -0.52 1.25 -0.28 0.22 2.02 -0.86 -1.83 112.91 112.91 2jfd h THR 557 Ca 0.05 -1.15 0.07 0.00 0.77 0.00 0.00 66.41 66.15 2jfd h THR 557 Cb 0.60 1.06 -0.07 0.00 -1.74 0.00 0.00 68.15 68.01 2jfd h THR 557 CO -0.29 0.39 -0.20 0.00 0.37 0.00 0.00 175.52 175.80 2jfd h ALA 558 N 1.20 -0.02 -0.39 6.16 0.00 0.11 -1.64 119.26 124.68 2jfd h ALA 558 Ca 0.11 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2jfd h ALA 558 Cb 0.58 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2jfd h ALA 558 CO 0.04 -0.60 0.16 0.82 0.00 0.00 0.00 179.25 179.66 2jfd h ILE 559 N -0.18 1.20 -0.70 0.00 1.08 -0.81 -1.26 117.51 116.84 2jfd h ILE 559 Ca 0.15 -0.60 0.08 0.00 -0.39 0.00 0.00 64.86 64.09 2jfd h ILE 559 Cb 0.41 0.86 -0.06 0.00 -3.07 0.00 0.00 36.82 34.95 2jfd h ILE 559 CO -0.38 0.22 0.37 1.56 -0.69 0.00 0.00 178.15 179.22 2jfd h GLN 560 N 0.49 0.63 -0.38 2.37 4.20 -1.04 0.14 115.11 121.53 2jfd h GLN 560 Ca 0.13 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2jfd h GLN 560 Cb 0.19 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2jfd h GLN 560 CO -0.01 0.42 0.24 0.82 -0.67 0.00 0.00 178.83 179.62 2jfd h ILE 561 N 0.65 1.11 0.12 2.54 2.04 -0.73 0.21 117.51 123.45 2jfd h ILE 561 Ca 0.33 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.96 2jfd h ILE 561 Cb 0.29 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2jfd h ILE 561 CO -0.23 0.11 -0.32 1.23 0.00 0.00 0.00 178.15 178.95 2jfd h GLY 562 N 0.50 -0.61 0.31 5.37 0.00 -0.14 0.30 103.07 108.80 2jfd h GLY 562 Ca 0.14 0.38 0.10 0.00 0.00 0.00 0.00 47.33 47.95 2jfd h GLY 562 CO -0.03 -0.25 0.20 1.41 0.00 0.00 0.00 176.54 177.88 2jfd h LEU 563 N -0.54 0.16 -0.78 3.11 3.38 -0.42 0.11 115.31 120.32 2jfd h LEU 563 Ca 0.03 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2jfd h LEU 563 Cb 0.57 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2jfd h LEU 563 CO -0.19 0.09 0.49 0.40 0.09 0.00 0.00 178.44 179.32 2jfd h ILE 564 N 0.36 1.07 -0.57 1.22 5.03 0.24 -1.21 117.51 123.65 2jfd h ILE 564 Ca 0.32 -0.32 -0.08 0.00 -0.12 0.00 0.00 64.86 64.66 2jfd h ILE 564 Cb 0.42 0.07 -0.02 0.00 -3.03 0.00 0.00 36.82 34.26 2jfd h ILE 564 CO -0.34 0.17 0.04 0.44 -0.68 0.00 0.00 178.15 177.77 2jfd h ASP 565 N 0.92 0.95 -0.28 1.72 3.32 0.17 0.12 116.42 123.34 2jfd h ASP 565 Ca 0.33 -0.29 0.05 0.00 0.02 0.00 0.00 57.03 57.14 2jfd h ASP 565 Cb 0.09 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 2jfd h ASP 565 CO -0.14 1.00 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.29 2jfd h LEU 566 N 0.87 -0.16 -0.40 1.55 3.38 -0.22 -1.09 115.31 119.23 2jfd h LEU 566 Ca 0.17 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2jfd h LEU 566 Cb 0.49 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2jfd h LEU 566 CO 0.02 -0.05 0.22 -0.07 0.09 0.00 0.00 178.44 178.65 2jfd h LEU 567 N 0.05 0.51 -1.60 1.67 3.38 -0.80 -2.68 115.31 115.84 2jfd h LEU 567 Ca 0.13 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2jfd h LEU 567 Cb 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2jfd h LEU 567 CO -0.25 0.45 -0.21 0.77 0.09 0.00 0.00 178.44 179.30 2jfd h SER 568 N 0.52 0.00 0.81 -0.43 4.64 -0.39 -2.30 113.55 116.41 2jfd h SER 568 Ca 0.14 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 2jfd h SER 568 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2jfd h SER 568 CO -0.02 0.21 -0.20 0.00 -0.87 0.00 0.00 176.83 175.94 2jfd n MET 570 N -3.43 1.80 -2.72 0.00 2.81 -0.90 -4.87 117.12 109.82 2jfd n MET 570 Ca -0.00 -1.24 -0.10 0.00 -1.81 0.00 0.00 57.70 54.54 2jfd n MET 570 Cb 0.39 -1.28 0.02 0.00 -0.71 0.00 0.00 33.22 31.64 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 1.06 0.18 3.51 3.03 0.00 -0.14 -4.50 105.19 108.33 2jfd n GLY 571 Ca 0.12 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.46 4.62 -0.25 0.99 1.43 -1.01 -5.02 118.68 115.98 2jfd s LEU 572 Ca 0.17 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 2jfd s LEU 572 Cb -0.08 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2jfd s LEU 572 CO 0.22 -0.65 0.12 -0.60 0.23 0.00 0.00 176.35 175.66 2jfd s ARG 573 N 2.48 3.83 0.34 1.70 3.52 -1.26 -4.40 118.95 125.16 2jfd s ARG 573 Ca 0.18 -0.39 -0.26 0.00 -0.13 0.00 0.00 55.73 55.12 2jfd s ARG 573 Cb -0.15 -3.46 -0.09 0.00 -1.56 0.00 0.00 34.95 29.69 2jfd s ARG 573 CO 0.16 -0.12 1.06 -1.25 -0.81 0.00 0.00 175.30 174.34 2jfd s PRO 574 N 1.51 4.40 0.25 5.12 0.04 -1.26 -4.85 135.00 140.21 2jfd s PRO 574 Ca 0.06 1.62 0.21 0.00 0.04 0.00 0.00 61.00 62.93 2jfd s PRO 574 Cb -0.15 -2.84 0.07 0.00 0.04 0.00 0.00 34.50 31.62 2jfd s PRO 574 CO 0.06 0.04 1.20 -0.44 0.04 0.00 0.00 177.00 177.91 2jfd h ASP 575 N 3.12 0.00 -4.60 6.66 3.32 -0.53 -3.47 116.42 120.91 2jfd h ASP 575 Ca -0.47 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 2jfd h ASP 575 Cb 1.21 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.55 2jfd h ASP 575 CO 0.64 0.17 -0.28 -0.83 -1.72 0.00 0.00 179.24 177.22 2jfd s GLY 576 N -4.41 -0.20 -0.03 2.75 0.00 -1.00 -4.67 107.32 99.77 2jfd s GLY 576 Ca 0.02 0.56 0.02 0.00 0.00 0.00 0.00 44.72 45.32 2jfd s GLY 576 CO 0.76 0.38 -0.06 -0.42 0.00 0.00 0.00 173.10 173.75 2jfd s ILE 577 N -0.81 0.59 -0.04 0.90 1.01 -0.02 -1.16 121.20 121.67 2jfd s ILE 577 Ca -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 2jfd s ILE 577 Cb -0.04 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.89 2jfd s ILE 577 CO 0.03 0.21 0.09 -0.69 0.00 0.00 0.00 174.94 174.58 2jfd s VAL 578 N 0.47 -0.03 0.34 2.92 1.01 -0.52 -1.54 120.40 123.04 2jfd s VAL 578 Ca -0.06 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.10 2jfd s VAL 578 Cb -0.10 -0.15 -0.07 0.00 0.00 0.00 0.00 36.38 36.06 2jfd s VAL 578 CO 0.00 0.05 -0.02 -0.83 0.00 0.00 0.00 175.10 174.30 2jfd s GLY 579 N 0.72 2.14 -0.11 4.51 0.00 -1.26 -1.05 107.32 112.27 2jfd s GLY 579 Ca -0.06 -2.09 -0.02 0.00 0.00 0.00 0.00 44.72 42.56 2jfd s GLY 579 CO -0.03 -1.94 0.01 -1.58 0.00 0.00 0.00 173.10 169.55 2jfd s HIS 580 N -2.92 0.86 0.00 1.90 2.46 0.23 -4.68 115.29 113.14 2jfd s HIS 580 Ca 0.33 -0.44 0.00 0.00 0.47 0.00 0.00 55.06 55.43 2jfd s HIS 580 Cb 0.06 -0.91 0.00 0.00 -0.13 0.00 0.00 32.58 31.60 2jfd s HIS 580 CO 0.15 -0.43 0.00 -1.13 -2.47 0.00 0.00 174.74 170.86 2jfd n SER 581 N 5.10 0.00 -0.20 9.88 3.41 -1.26 -0.74 113.62 129.81 2jfd n SER 581 Ca -0.08 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.70 2jfd n SER 581 Cb 0.49 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.95 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 0.40 -1.57 1.04 5.85 -1.88 0.25 115.31 119.40 2jfd h LEU 582 Ca 0.00 0.03 0.39 0.00 0.84 0.00 0.00 57.88 59.14 2jfd h LEU 582 Cb 0.00 -0.05 -0.10 0.00 0.37 0.00 0.00 40.66 40.88 2jfd h LEU 582 CO 0.00 0.19 0.88 1.23 -0.34 0.00 0.00 178.44 180.40 2jfd h GLY 583 N 0.42 0.89 1.94 3.75 0.00 -0.98 0.53 103.07 109.61 2jfd h GLY 583 Ca 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2jfd h GLY 583 CO -0.14 -0.22 0.02 0.83 0.00 0.00 0.00 176.54 177.04 2jfd h GLU 584 N 0.14 0.00 0.14 4.80 5.08 -1.11 0.27 114.58 123.90 2jfd h GLU 584 Ca 0.73 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.09 2jfd h GLU 584 Cb 2.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.66 2jfd h GLU 584 CO -0.27 0.00 -0.07 0.28 -1.00 0.00 0.00 179.01 177.96 2jfd h VAL 585 N 0.00 0.90 -0.83 3.13 2.07 -0.12 -2.87 116.25 118.52 2jfd h VAL 585 Ca 0.00 -1.18 0.18 0.00 0.82 0.00 0.00 66.70 66.51 2jfd h VAL 585 Cb 0.05 1.52 -0.11 0.00 -1.52 0.00 0.00 31.29 31.22 2jfd h VAL 585 CO 0.00 0.24 0.36 0.00 0.02 0.00 0.00 177.57 178.19 2jfd h ALA 586 N -0.27 1.25 -0.49 1.67 0.00 -1.35 -1.22 119.26 118.85 2jfd h ALA 586 Ca -0.02 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.10 2jfd h ALA 586 Cb 0.53 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 2jfd h ALA 586 CO 0.03 -0.24 0.11 0.00 0.00 0.00 0.00 179.25 179.15 2jfd h GLY 588 N 0.26 0.40 0.75 0.00 0.00 -1.00 0.29 103.07 103.77 2jfd h GLY 588 Ca 0.25 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.68 2jfd h GLY 588 CO -0.31 -0.12 0.12 -1.82 0.00 0.00 0.00 176.54 174.41 2jfd h TYR 589 N 0.08 0.21 -0.83 5.60 5.03 -0.74 0.34 116.97 126.67 2jfd h TYR 589 Ca 0.21 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.55 2jfd h TYR 589 Cb 0.30 -0.05 -0.05 0.00 1.55 0.00 0.00 36.73 38.49 2jfd h TYR 589 CO -0.30 0.10 0.54 0.00 -1.32 0.00 0.00 178.16 177.18 2jfd h ALA 590 N 1.19 1.07 0.00 1.82 0.00 0.03 -0.24 119.26 123.13 2jfd h ALA 590 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jfd h ALA 590 Cb 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2jfd h ALA 590 CO -0.14 0.40 0.00 -3.47 0.00 0.00 0.00 179.25 176.04 2jfd n ASP 591 N -4.55 0.00 -2.15 0.00 2.03 0.94 -4.87 116.55 107.95 2jfd n ASP 591 Ca 0.09 0.03 -0.15 0.00 0.52 0.00 0.00 54.79 55.29 2jfd n ASP 591 Cb 0.06 -0.31 0.03 0.00 -0.72 0.00 0.00 41.12 40.18 2jfd n ASP 591 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jfd n GLY 592 N 0.53 -0.06 0.12 0.27 0.00 -0.10 -4.87 105.19 101.08 2jfd n GLY 592 Ca 0.10 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -7.69 4.36 0.76 0.00 0.05 -1.08 -4.43 118.68 110.65 2jfd s LEU 594 Ca -0.34 0.31 -0.09 0.00 0.05 0.00 0.00 54.13 54.07 2jfd s LEU 594 Cb 0.11 -2.84 0.09 0.00 -2.05 0.00 0.00 46.19 41.50 2jfd s LEU 594 CO 0.52 0.20 1.09 -0.94 -0.55 0.00 0.00 176.35 176.67 2jfd s SER 595 N -2.28 4.51 0.09 1.48 1.04 -1.26 -4.03 113.70 113.25 2jfd s SER 595 Ca 0.32 0.45 -0.22 0.00 0.48 0.00 0.00 55.95 56.98 2jfd s SER 595 Cb -0.13 -0.97 -0.14 0.00 0.10 0.00 0.00 66.02 64.88 2jfd s SER 595 CO 0.24 -1.82 1.74 0.06 0.98 0.00 0.00 173.24 174.44 2jfd h GLN 596 N -0.82 0.05 0.32 4.02 -0.00 -1.98 0.15 115.11 116.85 2jfd h GLN 596 Ca -0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 2jfd h GLN 596 Cb 1.31 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.48 28.75 2jfd h GLN 596 CO 0.58 0.04 -0.41 1.49 -0.00 0.00 0.00 178.83 180.52 2jfd h GLU 597 N 0.04 -0.76 -0.03 0.06 4.81 -1.95 -0.95 114.58 115.81 2jfd h GLU 597 Ca 0.01 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2jfd h GLU 597 Cb 0.01 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 2jfd h GLU 597 CO -0.00 -0.50 -0.38 0.93 -0.73 0.00 0.00 179.01 178.32 2jfd h GLU 598 N -0.78 -0.51 -0.97 1.92 5.08 -1.88 -2.34 114.58 115.11 2jfd h GLU 598 Ca -0.02 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2jfd h GLU 598 Cb 0.73 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 2jfd h GLU 598 CO -0.12 -0.34 0.62 0.00 -1.00 0.00 0.00 179.01 178.18 2jfd h ALA 599 N 0.10 1.33 -0.41 3.43 0.00 -0.55 -1.64 119.26 121.52 2jfd h ALA 599 Ca 0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2jfd h ALA 599 Cb 0.62 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2jfd h ALA 599 CO -0.32 0.42 -0.26 0.28 0.00 0.00 0.00 179.25 179.37 2jfd h VAL 600 N 1.14 1.27 -0.28 0.00 2.07 -0.80 -2.71 116.25 116.94 2jfd h VAL 600 Ca 0.41 -1.40 -0.14 0.00 0.82 0.00 0.00 66.70 66.39 2jfd h VAL 600 Cb 0.14 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2jfd h VAL 600 CO -0.17 0.47 -0.41 -0.07 0.02 0.00 0.00 177.57 177.42 2jfd h LEU 601 N 0.73 0.71 -0.76 2.57 3.38 -1.03 -1.83 115.31 119.08 2jfd h LEU 601 Ca 0.09 -0.32 0.15 0.00 0.09 0.00 0.00 57.88 57.88 2jfd h LEU 601 Cb 0.80 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.25 2jfd h LEU 601 CO 0.07 1.03 0.29 0.00 0.09 0.00 0.00 178.44 179.92 2jfd h ALA 602 N 1.00 1.06 -0.54 1.53 0.00 -1.14 0.28 119.26 121.46 2jfd h ALA 602 Ca 0.04 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jfd h ALA 602 Cb 0.94 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2jfd h ALA 602 CO 0.08 -0.23 0.26 0.00 0.00 0.00 0.00 179.25 179.36 2jfd h ALA 603 N 1.56 0.69 0.51 0.00 0.00 -1.14 -2.52 119.26 118.37 2jfd h ALA 603 Ca 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2jfd h ALA 603 Cb 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jfd h ALA 603 CO -0.42 0.25 -0.24 -0.92 0.00 0.00 0.00 179.25 177.91 2jfd h TYR 604 N 0.72 -0.63 -0.09 0.00 3.20 -0.02 -2.21 116.97 117.94 2jfd h TYR 604 Ca 0.19 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2jfd h TYR 604 Cb 0.11 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 2jfd h TYR 604 CO -0.01 -0.38 0.02 -1.49 -1.64 0.00 0.00 178.16 174.66 2jfd h TRP 605 N -0.72 0.16 -0.86 -3.82 -0.00 -0.60 0.30 115.95 110.42 2jfd h TRP 605 Ca -0.07 -0.02 0.22 0.00 -0.00 0.00 0.00 58.89 59.01 2jfd h TRP 605 Cb 0.54 -0.04 -0.15 0.00 -0.00 0.00 0.00 29.16 29.51 2jfd h TRP 605 CO -0.03 0.35 0.08 -0.09 -0.00 0.00 0.00 178.44 178.75 2jfd h ARG 606 N -0.08 0.11 -0.20 0.49 2.43 -1.52 0.42 114.38 116.03 2jfd h ARG 606 Ca 0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2jfd h ARG 606 Cb 0.28 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2jfd h ARG 606 CO 0.00 0.07 0.03 0.78 -1.51 0.00 0.00 179.97 179.34 2jfd h GLY 607 N 0.11 0.37 0.59 2.80 0.00 -0.68 -3.13 103.07 103.14 2jfd h GLY 607 Ca 0.50 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 2jfd h GLY 607 CO -0.73 0.23 -0.01 -1.61 0.00 0.00 0.00 176.54 174.42 2jfd h GLN 608 N 0.13 -0.03 -0.87 4.80 5.75 0.16 -1.08 115.11 123.97 2jfd h GLN 608 Ca 0.06 0.00 0.17 0.00 -0.15 0.00 0.00 58.65 58.73 2jfd h GLN 608 Cb 0.33 0.01 -0.10 0.00 1.07 0.00 0.00 27.48 28.79 2jfd h GLN 608 CO 0.01 0.37 0.43 0.00 -2.65 0.00 0.00 178.83 176.99 2jfd h ILE 610 N 0.57 0.26 -0.72 0.00 2.04 -1.46 -2.17 117.51 116.03 2jfd h ILE 610 Ca 0.49 -0.20 0.11 0.00 1.00 0.00 0.00 64.86 66.26 2jfd h ILE 610 Cb 0.77 0.32 -0.12 0.00 -0.74 0.00 0.00 36.82 37.04 2jfd h ILE 610 CO -0.40 0.02 -0.42 0.11 0.00 0.00 0.00 178.15 177.46 2jfd h LYS 611 N -1.04 -0.13 -0.67 2.37 1.57 -0.38 0.18 116.57 118.47 2jfd h LYS 611 Ca -0.09 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2jfd h LYS 611 Cb 0.72 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 2jfd h LYS 611 CO 0.15 -0.09 0.44 1.05 -0.57 0.00 0.00 179.45 180.43 2jfd h GLU 612 N -0.14 0.74 -0.99 3.15 9.09 -1.00 -3.14 114.58 122.29 2jfd h GLU 612 Ca 0.23 -0.04 0.08 0.00 0.05 0.00 0.00 59.36 59.67 2jfd h GLU 612 Cb 0.55 -0.17 -0.07 0.00 -1.65 0.00 0.00 28.75 27.42 2jfd h GLU 612 CO -0.79 0.49 0.64 0.00 0.05 0.00 0.00 179.01 179.40 2jfd h ALA 613 N 1.62 1.45 -6.13 1.06 0.00 -0.27 -3.47 119.26 113.53 2jfd h ALA 613 Ca 0.27 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.87 2jfd h ALA 613 Cb 0.13 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 17.66 2jfd h ALA 613 CO -0.08 0.37 -0.66 0.72 0.00 0.00 0.00 179.25 179.60 2jfd n HIS 614 N -4.53 -2.36 -1.98 0.00 8.25 -1.19 -5.00 115.22 108.42 2jfd n HIS 614 Ca 0.16 0.86 -0.29 0.00 -0.26 0.00 0.00 57.72 58.19 2jfd n HIS 614 Cb 0.23 -3.41 0.06 0.00 1.12 0.00 0.00 29.99 27.99 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 -4.97 2.84 1.20 2.41 1.43 -1.26 -5.07 118.68 115.27 2jfd s LEU 615 Ca 0.11 0.94 -0.13 0.00 -1.03 0.00 0.00 54.13 54.02 2jfd s LEU 615 Cb -0.04 -3.65 0.31 0.00 0.03 0.00 0.00 46.19 42.83 2jfd s LEU 615 CO 0.84 -1.46 1.01 -2.84 0.23 0.00 0.00 176.35 174.13 2jfd s PRO 616 N -5.36 -1.24 -0.19 1.29 0.02 -1.26 -4.91 135.00 123.36 2jfd s PRO 616 Ca 0.59 0.80 -0.29 0.00 0.02 0.00 0.00 61.00 62.12 2jfd s PRO 616 Cb -0.11 -1.52 -0.02 0.00 0.02 0.00 0.00 34.50 32.87 2jfd s PRO 616 CO 0.50 -3.93 1.40 -1.25 -0.33 0.00 0.00 177.00 173.40 2jfd s PRO 617 N -4.42 4.05 0.30 5.54 0.04 -1.26 -4.96 135.00 134.29 2jfd s PRO 617 Ca 0.69 1.64 0.03 0.00 0.04 0.00 0.00 61.00 63.39 2jfd s PRO 617 Cb -0.25 -3.88 0.03 0.00 0.04 0.00 0.00 34.50 30.43 2jfd s PRO 617 CO 0.65 -0.95 0.24 0.41 0.04 0.00 0.00 177.00 177.39 2jfd n GLY 618 N 4.08 2.80 3.56 0.56 0.00 0.74 -1.89 105.19 115.05 2jfd n GLY 618 Ca 0.16 -2.23 -0.06 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.42 -1.93 0.04 4.61 0.00 0.71 -3.14 121.76 119.62 2jfd s ALA 619 Ca 0.18 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 53.28 2jfd s ALA 619 Cb -0.01 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 2jfd s ALA 619 CO 0.12 -0.70 0.01 -1.64 0.00 0.00 0.00 175.76 173.55 2jfd s MET 620 N -2.81 0.52 -0.20 0.00 -1.94 -1.25 -1.95 119.30 111.66 2jfd s MET 620 Ca 0.08 -0.89 -0.16 0.00 -1.71 0.00 0.00 55.69 53.01 2jfd s MET 620 Cb -0.01 0.19 0.06 0.00 2.01 0.00 0.00 34.83 37.08 2jfd s MET 620 CO -0.06 -0.10 0.52 0.00 -0.01 0.00 0.00 175.02 175.36 2jfd s ALA 621 N -2.78 -1.32 0.09 3.03 0.00 -0.86 -2.80 121.76 117.12 2jfd s ALA 621 Ca -0.04 1.62 -0.23 0.00 0.00 0.00 0.00 51.96 53.31 2jfd s ALA 621 Cb -0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 23.12 22.10 2jfd s ALA 621 CO -0.06 -0.27 0.70 0.00 0.00 0.00 0.00 175.76 176.14 2jfd s ALA 622 N 0.71 3.46 -0.06 0.00 0.00 -0.44 -0.26 121.76 125.17 2jfd s ALA 622 Ca -0.03 0.22 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 2jfd s ALA 622 Cb -0.05 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.23 2jfd s ALA 622 CO -0.05 0.24 0.15 0.08 0.00 0.00 0.00 175.76 176.17 2jfd s VAL 623 N -0.70 -0.02 -0.21 0.00 1.01 0.00 -1.31 120.40 119.18 2jfd s VAL 623 Ca 0.34 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 2jfd s VAL 623 Cb -0.21 -0.22 0.15 0.00 0.00 0.00 0.00 36.38 36.09 2jfd s VAL 623 CO 0.22 0.03 1.98 0.61 0.00 0.00 0.00 175.10 177.95 2jfd n GLY 624 N 3.56 3.53 3.87 4.51 0.00 -0.41 -1.18 105.19 119.08 2jfd n GLY 624 Ca -0.19 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 2jfd n GLY 624 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfd s LEU 625 N -1.21 3.67 0.65 0.99 1.43 -1.25 -4.74 118.68 118.22 2jfd s LEU 625 Ca 0.20 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 2jfd s LEU 625 Cb 0.16 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 2jfd s LEU 625 CO -0.00 -0.35 1.04 -0.94 0.23 0.00 0.00 176.35 176.33 2jfd s SER 626 N -4.01 5.80 0.22 2.29 1.04 -1.26 -3.51 113.70 114.26 2jfd s SER 626 Ca 0.41 1.54 -0.08 0.00 0.48 0.00 0.00 55.95 58.30 2jfd s SER 626 Cb -0.06 -2.49 0.26 0.00 0.10 0.00 0.00 66.02 63.83 2jfd s SER 626 CO 0.27 -1.16 1.82 -0.25 0.98 0.00 0.00 173.24 174.90 2jfd h TRP 627 N -0.44 0.77 0.22 5.02 2.91 -1.89 0.49 115.95 123.04 2jfd h TRP 627 Ca -0.44 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.59 2jfd h TRP 627 Cb 1.20 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.61 2jfd h TRP 627 CO 0.64 0.38 -0.11 0.93 -1.03 0.00 0.00 178.44 179.25 2jfd h GLU 628 N 0.77 -0.29 -0.74 2.65 4.39 -1.95 0.15 114.58 119.57 2jfd h GLU 628 Ca 0.32 0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.12 2jfd h GLU 628 Cb 0.17 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 2jfd h GLU 628 CO -0.18 -0.10 0.49 1.49 -1.16 0.00 0.00 179.01 179.55 2jfd h GLU 629 N -0.41 0.70 0.05 2.33 4.81 -1.80 0.45 114.58 120.70 2jfd h GLU 629 Ca -0.03 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2jfd h GLU 629 Cb 0.32 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2jfd h GLU 629 CO 0.05 0.46 -0.02 0.00 -0.73 0.00 0.00 179.01 178.77 2jfd h LYS 631 N -0.30 -0.12 0.21 0.00 1.63 0.81 -2.04 116.57 116.76 2jfd h LYS 631 Ca -0.01 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2jfd h LYS 631 Cb 0.27 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2jfd h LYS 631 CO 0.01 -0.08 -0.10 1.96 -3.45 0.00 0.00 179.45 177.79 2jfd h GLN 632 N -0.13 -0.27 0.00 1.90 4.20 -0.90 -3.27 115.11 116.65 2jfd h GLN 632 Ca 0.20 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2jfd h GLN 632 Cb 0.44 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2jfd h GLN 632 CO -0.50 0.03 0.00 -2.13 -0.67 0.00 0.00 178.83 175.55 2jfd n ARG 633 N -5.09 0.69 -2.66 1.46 0.63 0.12 -4.85 116.66 106.96 2jfd n ARG 633 Ca -0.09 0.01 -0.42 0.00 -0.92 0.00 0.00 57.85 56.43 2jfd n ARG 633 Cb 0.23 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.61 2jfd n ARG 633 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jfd n PRO 635 N 5.00 -0.44 -2.22 0.00 -0.04 -1.26 -4.93 135.00 131.11 2jfd n PRO 635 Ca 0.09 -0.08 -0.41 0.00 -0.04 0.00 0.00 63.50 63.06 2jfd n PRO 635 Cb 0.48 -2.04 -0.03 0.00 -0.04 0.00 0.00 33.50 31.87 2jfd n PRO 635 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2jfd s PRO 636 N -4.00 4.42 0.00 0.54 0.02 -1.26 -2.22 135.00 132.50 2jfd s PRO 636 Ca 0.61 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.71 2jfd s PRO 636 Cb -0.22 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2jfd s PRO 636 CO 0.64 -0.14 0.00 0.41 -0.33 0.00 0.00 177.00 177.58 2jfd n GLY 637 N 1.50 2.21 3.38 0.52 0.00 -1.26 -5.01 105.19 106.52 2jfd n GLY 637 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.41 3.66 0.19 1.61 1.01 -0.94 -4.14 120.40 119.38 2jfd s VAL 638 Ca 0.00 -0.41 0.11 0.00 0.00 0.00 0.00 61.98 61.68 2jfd s VAL 638 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2jfd s VAL 638 CO 0.00 0.42 -0.23 0.68 0.00 0.00 0.00 175.10 175.98 2jfd s VAL 639 N 1.25 2.24 0.26 2.92 -7.23 -0.40 -4.48 120.40 114.96 2jfd s VAL 639 Ca 0.03 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 57.88 2jfd s VAL 639 Cb -0.14 -2.07 -0.10 0.00 0.56 0.00 0.00 36.38 34.63 2jfd s VAL 639 CO -0.00 -0.18 1.37 -2.84 -0.31 0.00 0.00 175.10 173.14 2jfd s PRO 640 N -2.74 4.33 -0.03 4.82 0.02 -1.26 0.20 135.00 140.33 2jfd s PRO 640 Ca 0.20 2.21 -0.01 0.00 0.02 0.00 0.00 61.00 63.42 2jfd s PRO 640 Cb -0.07 -3.12 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 2jfd s PRO 640 CO 0.09 -0.31 -0.03 0.00 -0.33 0.00 0.00 177.00 176.42 2jfd n ALA 641 N 1.98 2.58 -3.63 -1.55 0.00 0.10 -4.83 120.51 115.16 2jfd n ALA 641 Ca 0.05 -0.12 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 2jfd n ALA 641 Cb 0.41 0.46 -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 0.95 3.62 -0.07 0.00 2.46 -0.13 -1.14 115.29 120.98 2jfd s HIS 643 Ca -0.08 -2.12 -0.22 0.00 0.47 0.00 0.00 55.06 53.12 2jfd s HIS 643 Cb -0.15 -4.18 -0.18 0.00 -0.13 0.00 0.00 32.58 27.95 2jfd s HIS 643 CO -0.01 -1.29 0.87 -0.91 -2.47 0.00 0.00 174.74 170.93 2jfd h ASN 644 N 7.38 -0.10 -3.16 9.88 -0.26 -1.78 0.20 115.58 127.74 2jfd h ASN 644 Ca 0.25 -0.49 -0.18 0.00 -0.56 0.00 0.00 56.30 55.32 2jfd h ASN 644 Cb 0.91 0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 38.15 2jfd h ASN 644 CO 1.14 0.53 -0.16 -1.54 -1.06 0.00 0.00 177.43 176.34 2jfd n SER 645 N -4.84 0.51 0.13 5.81 3.41 -0.75 -3.79 113.62 114.11 2jfd n SER 645 Ca -0.08 -1.74 -0.01 0.00 -0.26 0.00 0.00 58.87 56.78 2jfd n SER 645 Cb 0.29 0.44 0.24 0.00 -0.26 0.00 0.00 64.21 64.92 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 0.11 -0.34 4.33 -0.00 -1.95 -3.22 116.57 115.49 2jfd h LYS 646 Ca -0.10 -0.06 -0.27 0.00 -0.00 0.00 0.00 60.65 60.23 2jfd h LYS 646 Cb 0.41 0.00 -0.29 0.00 -0.00 0.00 0.00 32.23 32.35 2jfd h LYS 646 CO 0.15 0.56 -0.82 -0.40 -0.00 0.00 0.00 179.45 178.94 2jfd n ASP 647 N -3.98 2.68 -3.71 7.07 5.75 -1.26 -4.37 116.55 118.74 2jfd n ASP 647 Ca -0.02 -3.17 -0.17 0.00 -0.01 0.00 0.00 54.79 51.43 2jfd n ASP 647 Cb 0.51 -0.42 -0.16 0.00 -1.03 0.00 0.00 41.12 40.02 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 -3.29 -0.13 -0.01 2.12 2.01 -1.22 -3.87 115.64 111.26 2jfd s THR 648 Ca 0.40 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.71 2jfd s THR 648 Cb 0.38 -0.19 0.01 0.00 0.01 0.00 0.00 72.50 72.71 2jfd s THR 648 CO -0.04 0.13 0.01 -0.69 -0.69 0.00 0.00 174.62 173.34 2jfd s VAL 649 N 1.76 -0.01 -0.24 3.82 1.01 -0.32 -1.80 120.40 124.61 2jfd s VAL 649 Ca -0.01 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 2jfd s VAL 649 Cb -0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 2jfd s VAL 649 CO -0.04 0.03 0.44 -0.89 0.00 0.00 0.00 175.10 174.64 2jfd s THR 650 N 0.36 5.14 0.45 3.92 2.01 -0.29 -0.82 115.64 126.41 2jfd s THR 650 Ca -0.03 0.75 0.00 0.00 0.31 0.00 0.00 61.69 62.72 2jfd s THR 650 Cb -0.04 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 2jfd s THR 650 CO -0.01 0.16 0.67 0.27 -0.69 0.00 0.00 174.62 175.02 2jfd s ILE 651 N 1.90 4.06 -0.26 1.82 -4.36 0.64 0.02 121.20 125.02 2jfd s ILE 651 Ca 0.19 -0.47 -0.13 0.00 -0.26 0.00 0.00 60.65 59.98 2jfd s ILE 651 Cb -0.15 -3.50 0.09 0.00 1.25 0.00 0.00 42.46 40.14 2jfd s ILE 651 CO 0.09 -0.36 0.62 -0.55 0.24 0.00 0.00 174.94 174.99 2jfd s SER 652 N -4.21 -0.90 0.00 4.36 0.15 0.13 -2.02 113.70 111.21 2jfd s SER 652 Ca 0.48 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.55 2jfd s SER 652 Cb -0.10 1.54 0.00 0.00 -1.71 0.00 0.00 66.02 65.75 2jfd s SER 652 CO 0.38 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.20 2jfd n GLY 653 N 4.68 -1.12 3.76 9.45 0.00 -0.82 -1.28 105.19 119.86 2jfd n GLY 653 Ca -0.18 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 2jfd n GLY 653 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jfd n PRO 654 N 0.00 2.64 0.03 1.61 -0.04 -1.26 -0.21 135.00 137.77 2jfd n PRO 654 Ca 0.00 0.93 -0.10 0.00 -0.04 0.00 0.00 63.50 64.29 2jfd n PRO 654 Cb 0.00 -2.67 -0.04 0.00 -0.04 0.00 0.00 33.50 30.75 2jfd n PRO 654 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2jfd h GLN 655 N 3.43 -0.14 -0.70 0.54 4.15 -1.51 -3.13 115.11 117.75 2jfd h GLN 655 Ca -0.49 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.00 2jfd h GLN 655 Cb 1.24 0.03 -0.10 0.00 0.21 0.00 0.00 27.48 28.86 2jfd h GLN 655 CO 0.68 -0.09 -0.55 0.00 -1.93 0.00 0.00 178.83 176.93 2jfd h ALA 656 N 0.88 -0.64 0.00 3.38 0.00 -1.91 -0.68 119.26 120.29 2jfd h ALA 656 Ca 0.06 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2jfd h ALA 656 Cb 0.23 1.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2jfd h ALA 656 CO -0.14 -0.98 -0.26 -1.00 0.00 0.00 0.00 179.25 176.87 2jfd h PRO 657 N -0.18 0.00 -0.14 0.00 0.13 -1.95 -2.46 132.00 127.41 2jfd h PRO 657 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2jfd h PRO 657 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 2jfd h PRO 657 CO -0.75 0.26 0.09 0.28 -0.23 0.00 0.00 178.00 177.65 2jfd h VAL 658 N 0.00 1.05 -0.79 1.56 2.07 -1.08 0.94 116.25 120.01 2jfd h VAL 658 Ca -0.00 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2jfd h VAL 658 Cb 0.47 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2jfd h VAL 658 CO 0.03 0.04 0.34 -0.26 0.02 0.00 0.00 177.57 177.75 2jfd h PHE 659 N 0.17 1.18 -0.98 1.57 0.04 -1.33 -1.33 116.94 116.26 2jfd h PHE 659 Ca 0.05 -0.08 0.02 0.00 2.80 0.00 0.00 57.97 60.76 2jfd h PHE 659 Cb -0.00 -0.36 -0.05 0.00 2.20 0.00 0.00 35.95 37.74 2jfd h PHE 659 CO -0.06 0.88 0.65 0.93 -0.60 0.00 0.00 178.31 180.11 2jfd h GLU 660 N 1.13 1.26 0.22 1.51 4.39 -0.94 -1.42 114.58 120.72 2jfd h GLU 660 Ca 0.27 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 2jfd h GLU 660 Cb 0.18 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2jfd h GLU 660 CO -0.03 0.83 -0.10 0.35 -1.16 0.00 0.00 179.01 178.90 2jfd h PHE 661 N 1.29 -0.27 -0.91 4.33 3.57 -0.52 -2.22 116.94 122.21 2jfd h PHE 661 Ca 0.37 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 62.08 2jfd h PHE 661 Cb -0.09 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.68 2jfd h PHE 661 CO -0.00 0.12 0.61 0.28 -2.23 0.00 0.00 178.31 177.08 2jfd h VAL 662 N -0.78 0.65 -0.08 1.41 2.07 -1.03 -0.12 116.25 118.38 2jfd h VAL 662 Ca -0.03 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2jfd h VAL 662 Cb 0.51 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2jfd h VAL 662 CO 0.05 0.07 -0.04 -0.33 0.02 0.00 0.00 177.57 177.34 2jfd h GLU 663 N 0.37 0.16 -0.97 1.57 4.39 -1.08 -1.20 114.58 117.82 2jfd h GLU 663 Ca 0.48 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 60.15 2jfd h GLU 663 Cb 1.24 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.83 2jfd h GLU 663 CO -0.17 0.53 0.63 0.37 -1.16 0.00 0.00 179.01 179.21 2jfd h GLN 664 N -0.22 1.18 -0.62 2.33 5.75 -0.51 -0.18 115.11 122.85 2jfd h GLN 664 Ca 0.02 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.39 2jfd h GLN 664 Cb 0.48 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 2jfd h GLN 664 CO 0.01 0.78 0.16 -0.07 -2.65 0.00 0.00 178.83 177.06 2jfd h LEU 665 N 1.22 0.94 -0.24 -2.39 3.38 -0.98 -2.49 115.31 114.75 2jfd h LEU 665 Ca 0.39 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2jfd h LEU 665 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2jfd h LEU 665 CO -0.13 0.92 0.11 0.03 0.09 0.00 0.00 178.44 179.46 2jfd h ARG 666 N 0.91 0.34 -1.14 1.13 3.08 -0.56 -1.75 114.38 116.39 2jfd h ARG 666 Ca 0.20 -0.05 0.32 0.00 0.07 0.00 0.00 59.98 60.51 2jfd h ARG 666 Cb 0.35 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.26 2jfd h ARG 666 CO 0.00 0.37 0.78 0.87 -1.07 0.00 0.00 179.97 180.91 2jfd h LYS 667 N 0.24 0.18 -0.55 0.04 1.79 -0.63 0.25 116.57 117.90 2jfd h LYS 667 Ca 0.08 -0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.41 2jfd h LYS 667 Cb 0.14 -0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 30.67 2jfd h LYS 667 CO -0.01 0.12 0.13 -0.85 -1.08 0.00 0.00 179.45 177.76 2jfd n GLU 668 N -4.43 3.42 -1.50 3.15 0.28 -0.98 -4.95 120.64 115.62 2jfd n GLU 668 Ca 0.27 -3.05 -0.10 0.00 -0.16 0.00 0.00 57.16 54.11 2jfd n GLU 668 Cb 1.11 -2.08 -0.04 0.00 1.43 0.00 0.00 31.44 31.86 2jfd n GLU 668 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jfd n GLY 669 N -0.29 0.89 3.93 -1.84 0.00 0.87 -5.01 105.19 103.75 2jfd n GLY 669 Ca 0.33 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 2jfd n GLY 669 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfd s VAL 670 N -2.41 3.29 0.16 1.61 1.01 -0.69 -5.03 120.40 118.33 2jfd s VAL 670 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 2jfd s VAL 670 Cb 0.00 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 2jfd s VAL 670 CO 0.00 -0.31 0.50 0.12 0.00 0.00 0.00 175.10 175.41 2jfd s PHE 671 N -3.00 3.53 -0.36 5.22 5.36 -1.26 -4.40 117.98 123.07 2jfd s PHE 671 Ca 0.55 0.90 -0.04 0.00 -0.96 0.00 0.00 56.93 57.38 2jfd s PHE 671 Cb -0.11 -2.26 0.20 0.00 -0.34 0.00 0.00 43.02 40.51 2jfd s PHE 671 CO 0.44 0.40 0.97 0.00 -1.46 0.00 0.00 175.22 175.57 2jfd s ALA 672 N -1.58 -3.93 -0.22 11.12 0.00 -1.26 -1.28 121.76 124.61 2jfd s ALA 672 Ca 0.40 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 2jfd s ALA 672 Cb -0.13 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 2jfd s ALA 672 CO 0.20 -2.44 -0.03 0.15 0.00 0.00 0.00 175.76 173.64 2jfd s LYS 673 N 1.53 3.43 0.71 0.00 3.01 -0.43 -4.94 119.74 123.05 2jfd s LYS 673 Ca 0.19 -0.60 -0.17 0.00 -1.01 0.00 0.00 55.97 54.38 2jfd s LYS 673 Cb 0.05 -3.04 -0.09 0.00 -1.01 0.00 0.00 37.83 33.74 2jfd s LYS 673 CO -0.11 -0.16 0.15 0.39 0.51 0.00 0.00 175.35 176.12 2jfd n GLU 674 N 4.72 0.17 -3.99 1.68 -0.58 -1.26 -1.33 120.64 120.05 2jfd n GLU 674 Ca -0.18 0.08 -0.30 0.00 -0.42 0.00 0.00 57.16 56.35 2jfd n GLU 674 Cb 0.51 -1.48 -0.16 0.00 -0.57 0.00 0.00 31.44 29.74 2jfd n GLU 674 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2jfd s VAL 675 N -1.95 1.51 0.08 2.62 1.01 -1.12 -4.67 120.40 117.87 2jfd s VAL 675 Ca 0.59 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 61.53 2jfd s VAL 675 Cb -0.36 -1.51 -0.08 0.00 0.00 0.00 0.00 36.38 34.43 2jfd s VAL 675 CO 0.64 0.32 1.51 0.00 0.00 0.00 0.00 175.10 177.57 2jfd s ARG 676 N 1.49 4.25 0.00 2.72 3.03 -1.26 -4.47 118.95 124.71 2jfd s ARG 676 Ca 0.02 2.17 0.00 0.00 2.03 0.00 0.00 55.73 59.96 2jfd s ARG 676 Cb -0.14 -3.44 0.00 0.00 -1.03 0.00 0.00 34.95 30.34 2jfd s ARG 676 CO -0.09 -0.60 0.42 0.25 -1.13 0.00 0.00 175.30 174.15 2jfd n THR 677 N 4.40 0.00 -2.52 4.99 -2.24 -1.26 -4.78 114.28 112.86 2jfd n THR 677 Ca 0.14 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.86 2jfd n THR 677 Cb 0.41 0.58 0.03 0.00 -2.10 0.00 0.00 70.33 69.25 2jfd n THR 677 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jfd n GLY 678 N 0.00 0.25 3.84 3.38 0.00 -1.26 -3.78 105.19 107.62 2jfd n GLY 678 Ca 0.00 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.03 -0.49 3.23 -0.02 0.00 -1.26 -4.94 105.19 100.68 2jfd n GLY 679 Ca -0.07 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2jfd n GLY 679 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jfd s MET 680 N -6.52 2.11 -0.70 1.61 -2.45 -1.19 -0.19 119.30 111.98 2jfd s MET 680 Ca 0.60 -0.80 -0.08 0.00 -1.25 0.00 0.00 55.69 54.17 2jfd s MET 680 Cb -0.30 -1.88 0.18 0.00 1.25 0.00 0.00 34.83 34.09 2jfd s MET 680 CO 0.81 0.39 0.57 0.00 1.05 0.00 0.00 175.02 177.84 2jfd s ALA 681 N -0.25 3.79 0.69 4.11 0.00 -1.26 -3.32 121.76 125.51 2jfd s ALA 681 Ca 0.01 -3.27 -0.11 0.00 0.00 0.00 0.00 51.96 48.59 2jfd s ALA 681 Cb -0.11 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2jfd s ALA 681 CO 0.02 -2.17 1.06 -0.06 0.00 0.00 0.00 175.76 174.61 2jfd s PHE 682 N 0.07 3.25 -1.48 0.00 0.40 -1.26 -4.04 117.98 114.92 2jfd s PHE 682 Ca 0.17 1.31 -0.06 0.00 -0.60 0.00 0.00 56.93 57.75 2jfd s PHE 682 Cb -0.16 -2.89 0.05 0.00 0.51 0.00 0.00 43.02 40.53 2jfd s PHE 682 CO -0.06 -1.14 0.60 0.72 0.70 0.00 0.00 175.22 176.05 2jfd n HIS 683 N -3.05 -1.78 -4.09 0.36 8.25 -1.04 -4.87 115.22 109.00 2jfd n HIS 683 Ca 0.07 0.79 -0.12 0.00 -0.26 0.00 0.00 57.72 58.20 2jfd n HIS 683 Cb 0.54 -3.68 -0.07 0.00 1.12 0.00 0.00 29.99 27.91 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 -4.00 0.26 0.43 0.41 1.04 -1.20 -4.41 113.70 106.24 2jfd s SER 684 Ca 0.25 -1.23 0.21 0.00 0.48 0.00 0.00 55.95 55.67 2jfd s SER 684 Cb -0.13 0.53 1.18 0.00 0.10 0.00 0.00 66.02 67.70 2jfd s SER 684 CO 0.88 -1.07 1.81 0.10 0.98 0.00 0.00 173.24 175.93 2jfd h TYR 685 N 2.34 0.51 -0.97 5.02 -0.00 -1.88 -0.93 116.97 121.05 2jfd h TYR 685 Ca -0.30 0.02 0.30 0.00 -0.00 0.00 0.00 58.73 58.75 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 0.66 0.07 0.18 0.74 -0.00 0.00 0.00 178.16 179.81 2jfd h PHE 686 N 0.32 0.22 0.00 0.10 -1.00 -1.97 0.16 116.94 114.78 2jfd h PHE 686 Ca 0.55 0.06 0.00 0.00 2.81 0.00 0.00 57.97 61.39 2jfd h PHE 686 Cb 1.52 0.06 0.00 0.00 3.61 0.00 0.00 35.95 41.14 2jfd h PHE 686 CO -0.00 -0.40 0.00 0.52 -1.61 0.00 0.00 178.31 176.81 2jfd h MET 687 N 0.04 0.00 -0.89 1.51 2.86 -1.38 -3.21 114.93 113.87 2jfd h MET 687 Ca 0.65 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 58.47 2jfd h MET 687 Cb 1.44 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 33.03 2jfd h MET 687 CO -0.84 0.00 0.58 1.49 1.06 0.00 0.00 176.91 179.20 2jfd h GLU 688 N 0.00 0.47 -0.74 1.72 4.81 -0.78 0.32 114.58 120.38 2jfd h GLU 688 Ca 0.00 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.31 2jfd h GLU 688 Cb 0.67 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 2jfd h GLU 688 CO 0.00 0.31 0.49 0.00 -0.73 0.00 0.00 179.01 179.08 2jfd h ALA 689 N 1.61 1.88 -0.01 2.92 0.00 -1.69 -2.80 119.26 121.18 2jfd h ALA 689 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2jfd h ALA 689 Cb 1.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2jfd h ALA 689 CO -0.19 -0.05 -0.31 -0.89 0.00 0.00 0.00 179.25 177.82 2jfd n ILE 690 N -4.49 0.00 0.34 0.00 5.41 0.11 -4.41 119.36 116.33 2jfd n ILE 690 Ca 0.13 -0.17 -0.17 0.00 1.00 0.00 0.00 62.75 63.53 2jfd n ILE 690 Cb 0.37 0.65 -0.09 0.00 -0.71 0.00 0.00 39.64 39.87 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 3.78 -0.86 -0.71 -1.39 0.00 -1.31 -2.39 119.26 116.38 2jfd h ALA 691 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.78 2jfd h ALA 691 Cb 0.58 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 2jfd h ALA 691 CO 0.00 -0.93 0.37 -1.00 0.00 0.00 0.00 179.25 177.69 2jfd h PRO 692 N -0.97 0.64 -0.16 0.00 0.13 -1.78 0.50 132.00 130.37 2jfd h PRO 692 Ca -0.09 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 2jfd h PRO 692 Cb 0.69 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2jfd h PRO 692 CO 0.14 0.42 0.07 -1.00 -0.23 0.00 0.00 178.00 177.40 2jfd h PRO 693 N 0.66 0.24 -0.45 1.56 0.13 -1.82 -2.39 132.00 129.93 2jfd h PRO 693 Ca 0.33 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 65.44 2jfd h PRO 693 Cb 0.29 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.35 2jfd h PRO 693 CO -0.23 0.32 0.26 1.25 -0.23 0.00 0.00 178.00 179.36 2jfd h LEU 694 N 0.11 0.41 -1.02 1.56 5.85 -1.00 -1.95 115.31 119.27 2jfd h LEU 694 Ca 0.05 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.87 2jfd h LEU 694 Cb 0.17 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 2jfd h LEU 694 CO -0.00 0.29 0.64 0.25 -0.34 0.00 0.00 178.44 179.28 2jfd h LEU 695 N 0.52 0.99 0.25 2.25 5.85 0.03 -0.58 115.31 124.62 2jfd h LEU 695 Ca 0.18 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2jfd h LEU 695 Cb 0.02 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2jfd h LEU 695 CO -0.09 0.59 -0.17 1.56 -0.34 0.00 0.00 178.44 179.99 2jfd h GLN 696 N 1.10 -0.39 -0.52 1.25 7.50 -0.87 -2.12 115.11 121.07 2jfd h GLN 696 Ca 0.46 0.03 0.10 0.00 0.50 0.00 0.00 58.65 59.74 2jfd h GLN 696 Cb 0.30 0.09 -0.10 0.00 0.05 0.00 0.00 27.48 27.82 2jfd h GLN 696 CO -0.21 -0.26 -0.11 0.93 -1.50 0.00 0.00 178.83 177.69 2jfd h GLU 697 N -0.40 0.02 -0.66 1.46 4.39 -0.96 -2.33 114.58 116.09 2jfd h GLU 697 Ca -0.03 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 2jfd h GLU 697 Cb 0.33 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2jfd h GLU 697 CO 0.03 0.01 0.20 -0.07 -1.16 0.00 0.00 179.01 178.02 2jfd h LEU 698 N 0.02 0.95 -1.91 1.33 -0.00 -1.16 -1.22 115.31 113.31 2jfd h LEU 698 Ca 0.25 -0.17 0.09 0.00 -0.00 0.00 0.00 57.88 58.05 2jfd h LEU 698 Cb 0.38 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.78 2jfd h LEU 698 CO -0.52 0.89 0.27 0.07 -0.00 0.00 0.00 178.44 179.15 2jfd h LYS 699 N 0.98 0.10 -0.23 1.13 5.09 -0.81 0.32 116.57 123.14 2jfd h LYS 699 Ca 0.22 -0.01 -0.11 0.00 0.09 0.00 0.00 60.65 60.84 2jfd h LYS 699 Cb 0.29 -0.02 -0.00 0.00 0.10 0.00 0.00 32.23 32.59 2jfd h LYS 699 CO -0.01 0.07 -0.28 1.57 -2.09 0.00 0.00 179.45 178.71 2jfd h LYS 700 N 0.10 0.59 -0.10 0.07 2.10 -1.11 -3.36 116.57 114.87 2jfd h LYS 700 Ca 0.18 -0.33 -0.10 0.00 -2.00 0.00 0.00 60.65 58.40 2jfd h LYS 700 Cb 0.58 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 2jfd h LYS 700 CO -0.02 0.93 -0.32 0.28 -2.00 0.00 0.00 179.45 178.33 2jfd h VAL 701 N 0.29 1.39 -3.07 0.07 2.07 -0.53 -3.36 116.25 113.12 2jfd h VAL 701 Ca 0.03 -1.65 -0.80 0.00 0.82 0.00 0.00 66.70 65.10 2jfd h VAL 701 Cb 0.85 2.18 -0.28 0.00 -1.52 0.00 0.00 31.29 32.52 2jfd h VAL 701 CO 0.07 0.48 0.66 -0.38 0.02 0.00 0.00 177.57 178.42 2jfd n ILE 702 N -4.41 5.06 -2.65 4.57 -0.00 0.89 -4.91 119.36 117.91 2jfd n ILE 702 Ca -0.08 -5.78 -0.36 0.00 -0.00 0.00 0.00 62.75 56.54 2jfd n ILE 702 Cb 0.49 -2.21 -0.05 0.00 -0.00 0.00 0.00 39.64 37.87 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 -2.40 4.22 -0.88 0.38 1.81 -1.26 -4.12 118.95 116.71 2jfd s ARG 703 Ca 0.31 1.37 -0.05 0.00 -1.72 0.00 0.00 55.73 55.64 2jfd s ARG 703 Cb 0.01 -2.47 0.00 0.00 -0.45 0.00 0.00 34.95 32.05 2jfd s ARG 703 CO 0.05 -0.06 0.65 -0.85 -0.68 0.00 0.00 175.30 174.41 2jfd n GLU 704 N -0.16 -1.34 -1.90 3.54 0.00 -1.26 -4.88 120.64 114.63 2jfd n GLU 704 Ca 0.05 0.82 -0.39 0.00 0.00 0.00 0.00 57.16 57.64 2jfd n GLU 704 Cb 0.51 -3.24 0.01 0.00 0.00 0.00 0.00 31.44 28.72 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 -4.87 3.70 0.28 3.44 0.02 -1.26 -5.01 135.00 131.29 2jfd s PRO 705 Ca 0.10 2.28 -0.09 0.00 0.02 0.00 0.00 61.00 63.30 2jfd s PRO 705 Cb -0.04 -2.62 -0.07 0.00 0.02 0.00 0.00 34.50 31.79 2jfd s PRO 705 CO 0.87 -0.76 0.61 0.15 -0.33 0.00 0.00 177.00 177.54 2jfd s LYS 706 N -2.46 3.79 0.27 5.54 -0.14 -1.26 -4.88 119.74 120.60 2jfd s LYS 706 Ca 0.61 0.30 -0.25 0.00 -1.36 0.00 0.00 55.97 55.27 2jfd s LYS 706 Cb -0.41 -2.58 -0.09 0.00 -1.68 0.00 0.00 37.83 33.07 2jfd s LYS 706 CO 0.52 0.23 0.88 -1.25 -0.76 0.00 0.00 175.35 174.96 2jfd s PRO 707 N -3.13 4.54 0.35 -1.68 0.04 -1.26 -1.61 135.00 132.25 2jfd s PRO 707 Ca 0.48 1.22 -0.18 0.00 0.04 0.00 0.00 61.00 62.56 2jfd s PRO 707 Cb -0.11 -2.92 -0.10 0.00 0.04 0.00 0.00 34.50 31.42 2jfd s PRO 707 CO 0.24 0.36 0.82 1.03 0.04 0.00 0.00 177.00 179.49 2jfd s ARG 708 N -1.85 4.13 0.42 4.56 0.52 -0.09 -4.84 118.95 121.81 2jfd s ARG 708 Ca 0.46 0.88 0.03 0.00 -0.52 0.00 0.00 55.73 56.58 2jfd s ARG 708 Cb -0.19 -2.39 -0.00 0.00 0.52 0.00 0.00 34.95 32.88 2jfd s ARG 708 CO 0.24 0.11 0.61 -1.54 0.02 0.00 0.00 175.30 174.75 2jfd s SER 709 N -2.16 5.80 0.60 0.23 1.04 -1.26 -4.92 113.70 113.03 2jfd s SER 709 Ca 0.56 0.05 0.40 0.00 0.48 0.00 0.00 55.95 57.44 2jfd s SER 709 Cb -0.11 -1.31 2.04 0.00 0.10 0.00 0.00 66.02 66.75 2jfd s SER 709 CO 0.16 -0.66 2.20 0.00 0.98 0.00 0.00 173.24 175.92 2jfd h ALA 710 N 0.54 1.00 -0.35 5.32 0.00 -1.99 -1.22 119.26 122.57 2jfd h ALA 710 Ca -0.45 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 2jfd h ALA 710 Cb 1.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2jfd h ALA 710 CO 0.54 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.59 2jfd h ARG 711 N 0.00 0.66 -4.80 0.00 3.08 -1.94 -3.40 114.38 107.97 2jfd h ARG 711 Ca 0.00 -0.24 -0.71 0.00 0.07 0.00 0.00 59.98 59.09 2jfd h ARG 711 Cb 0.13 -0.04 -0.19 0.00 0.08 0.00 0.00 29.97 29.94 2jfd h ARG 711 CO 0.00 0.81 0.78 -0.46 -1.07 0.00 0.00 179.97 180.03 2jfd s TRP 712 N -4.62 3.27 0.05 3.04 -0.00 -0.46 -0.84 118.94 119.39 2jfd s TRP 712 Ca -0.08 -1.58 -0.31 0.00 -0.00 0.00 0.00 56.10 54.13 2jfd s TRP 712 Cb 0.14 -4.21 -0.07 0.00 -0.00 0.00 0.00 33.47 29.32 2jfd s TRP 712 CO 0.81 -1.40 1.49 -0.51 -0.00 0.00 0.00 176.95 177.34 2jfd s LEU 713 N 2.14 4.35 0.15 5.86 1.43 -0.59 -4.81 118.68 127.21 2jfd s LEU 713 Ca 0.32 2.31 -0.25 0.00 -1.03 0.00 0.00 54.13 55.47 2jfd s LEU 713 Cb -0.05 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 2jfd s LEU 713 CO -0.08 -0.77 0.76 -0.55 0.23 0.00 0.00 176.35 175.93 2jfd s SER 714 N 1.85 7.35 -0.00 2.29 0.15 -1.26 -4.45 113.70 119.63 2jfd s SER 714 Ca 0.68 1.60 0.13 0.00 0.70 0.00 0.00 55.95 59.05 2jfd s SER 714 Cb -0.36 -2.48 -0.15 0.00 -1.71 0.00 0.00 66.02 61.32 2jfd s SER 714 CO 0.29 0.21 0.50 0.35 1.20 0.00 0.00 173.24 175.79 2jfd n THR 715 N 1.64 0.00 0.06 6.45 -2.24 -1.26 -4.47 114.28 114.46 2jfd n THR 715 Ca -0.06 -0.22 -0.22 0.00 -2.27 0.00 0.00 64.05 61.28 2jfd n THR 715 Cb 0.49 0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 69.45 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 0.00 0.53 -2.89 3.42 4.64 -1.88 0.81 113.55 118.18 2jfd h SER 716 Ca 0.00 -0.91 -0.66 0.00 -0.47 0.00 0.00 61.79 59.75 2jfd h SER 716 Cb 0.34 -0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 62.16 2jfd h SER 716 CO 0.00 1.59 -0.51 -0.63 -0.87 0.00 0.00 176.83 176.41 2jfd s ILE 717 N -2.50 5.22 0.51 0.95 1.01 -1.26 -4.70 121.20 120.42 2jfd s ILE 717 Ca -0.15 0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 2jfd s ILE 717 Cb 0.03 -3.28 -0.08 0.00 0.01 0.00 0.00 42.46 39.15 2jfd s ILE 717 CO 0.83 0.58 0.96 -2.16 0.00 0.00 0.00 174.94 175.16 2jfd s PRO 718 N -0.72 3.92 0.26 2.79 0.04 -1.26 -4.74 135.00 135.29 2jfd s PRO 718 Ca 0.13 0.90 -0.03 0.00 0.04 0.00 0.00 61.00 62.04 2jfd s PRO 718 Cb -0.12 -2.16 0.56 0.00 0.04 0.00 0.00 34.50 32.82 2jfd s PRO 718 CO 0.03 -0.26 1.65 1.49 0.04 0.00 0.00 177.00 179.95 2jfd h GLU 719 N 0.91 0.17 -0.96 4.56 4.81 -1.98 -2.24 114.58 119.86 2jfd h GLU 719 Ca -0.47 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 58.84 2jfd h GLU 719 Cb 1.18 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.46 2jfd h GLU 719 CO 0.62 0.12 0.61 0.00 -0.73 0.00 0.00 179.01 179.63 2jfd h ALA 720 N 1.72 1.53 -0.93 2.92 0.00 -2.01 -1.20 119.26 121.29 2jfd h ALA 720 Ca 0.47 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.86 2jfd h ALA 720 Cb 0.88 -0.24 -0.28 0.00 0.00 0.00 0.00 17.79 18.15 2jfd h ALA 720 CO -0.63 0.28 0.67 0.00 0.00 0.00 0.00 179.25 179.56 2jfd n GLN 721 N -4.54 2.27 -0.03 0.00 0.00 -0.84 -4.51 117.38 109.71 2jfd n GLN 721 Ca 0.16 -2.86 -0.16 0.00 0.00 0.00 0.00 57.00 54.14 2jfd n GLN 721 Cb 0.28 -2.12 -0.13 0.00 0.00 0.00 0.00 30.24 28.26 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 1.19 0.17 -0.89 2.61 6.55 -1.24 -3.37 115.95 120.96 2jfd h TRP 722 Ca 0.59 -0.12 -0.23 0.00 0.95 0.00 0.00 58.89 60.08 2jfd h TRP 722 Cb 2.24 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 30.52 2jfd h TRP 722 CO 1.45 1.08 0.68 -1.01 -1.05 0.00 0.00 178.44 179.59 2jfd s HIS 723 N -2.35 1.35 -0.01 0.49 3.76 -1.26 -4.44 115.29 112.83 2jfd s HIS 723 Ca -0.17 1.42 -0.29 0.00 -0.15 0.00 0.00 55.06 55.87 2jfd s HIS 723 Cb -0.02 -3.70 0.10 0.00 1.11 0.00 0.00 32.58 30.08 2jfd s HIS 723 CO 0.73 -1.89 0.89 0.45 -0.85 0.00 0.00 174.74 174.07 2jfd s SER 724 N 10.10 -0.36 -0.01 1.40 0.15 -1.26 -5.05 113.70 118.67 2jfd s SER 724 Ca 0.85 -0.00 -0.22 0.00 0.70 0.00 0.00 55.95 57.27 2jfd s SER 724 Cb -0.12 0.38 -0.20 0.00 -1.71 0.00 0.00 66.02 64.37 2jfd s SER 724 CO 0.11 -0.62 1.15 0.77 1.20 0.00 0.00 173.24 175.85 2jfd h SER 725 N 2.00 0.32 -0.72 5.45 4.64 -1.89 0.24 113.55 123.59 2jfd h SER 725 Ca -0.22 -0.67 0.02 0.00 -0.47 0.00 0.00 61.79 60.45 2jfd h SER 725 Cb 1.24 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 2jfd h SER 725 CO 0.31 0.94 0.46 0.25 -0.87 0.00 0.00 176.83 177.92 2jfd h LEU 726 N -0.27 0.78 0.26 5.97 6.46 -1.93 -2.68 115.31 123.90 2jfd h LEU 726 Ca -0.02 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 2jfd h LEU 726 Cb 0.94 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2jfd h LEU 726 CO 0.06 0.55 -0.13 0.00 -0.62 0.00 0.00 178.44 178.30 2jfd h ALA 727 N 1.29 -0.35 -0.64 1.25 0.00 -1.80 -3.33 119.26 115.67 2jfd h ALA 727 Ca 0.28 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.23 2jfd h ALA 727 Cb -0.03 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 2jfd h ALA 727 CO -0.09 -0.62 -0.01 2.89 0.00 0.00 0.00 179.25 181.42 2jfd n ARG 728 N -5.18 -0.05 -4.34 0.00 0.00 0.82 -4.56 116.66 103.36 2jfd n ARG 728 Ca -0.10 0.97 -0.18 0.00 -0.00 0.00 0.00 57.85 58.55 2jfd n ARG 728 Cb 0.21 -1.53 -0.10 0.00 -0.00 0.00 0.00 32.46 31.04 2jfd n ARG 728 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2jfd s THR 729 N -5.56 1.22 -1.15 8.89 -4.23 -1.25 -0.91 115.64 112.65 2jfd s THR 729 Ca -0.08 -2.07 -0.10 0.00 -1.18 0.00 0.00 61.69 58.26 2jfd s THR 729 Cb 0.19 -2.27 0.25 0.00 1.34 0.00 0.00 72.50 72.00 2jfd s THR 729 CO 0.50 -0.40 1.25 -1.54 -0.54 0.00 0.00 174.62 173.89 2jfd n SER 730 N -0.42 5.46 -4.52 3.99 3.41 -0.63 -4.74 113.62 116.18 2jfd n SER 730 Ca -0.06 -3.04 -0.25 0.00 -0.26 0.00 0.00 58.87 55.26 2jfd n SER 730 Cb 0.63 -1.44 0.13 0.00 -0.26 0.00 0.00 64.21 63.28 2jfd n SER 730 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jfd s SER 731 N 1.64 3.97 0.30 4.04 1.04 -1.26 -4.51 113.70 118.91 2jfd s SER 731 Ca 0.35 -0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.45 2jfd s SER 731 Cb -0.07 0.08 0.46 0.00 0.10 0.00 0.00 66.02 66.59 2jfd s SER 731 CO -0.04 -2.13 1.86 0.00 0.98 0.00 0.00 173.24 173.91 2jfd h ALA 732 N -0.81 1.28 -0.96 5.32 0.00 -1.85 -2.40 119.26 119.83 2jfd h ALA 732 Ca -0.37 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.43 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 0.37 0.51 0.63 1.05 0.00 0.00 0.00 179.25 181.81 2jfd h GLU 733 N 0.78 1.08 -0.20 0.00 -0.00 -1.93 -0.37 114.58 113.94 2jfd h GLU 733 Ca 0.18 -0.07 -0.07 0.00 -0.00 0.00 0.00 59.36 59.41 2jfd h GLU 733 Cb 0.23 -0.24 -0.00 0.00 -0.00 0.00 0.00 28.75 28.73 2jfd h GLU 733 CO -0.01 0.72 -0.13 -0.92 -0.00 0.00 0.00 179.01 178.66 2jfd h TYR 734 N 1.11 0.51 -0.01 2.06 3.20 -1.72 -2.86 116.97 119.27 2jfd h TYR 734 Ca 0.42 -0.14 -0.18 0.00 3.14 0.00 0.00 58.73 61.97 2jfd h TYR 734 Cb 0.19 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2jfd h TYR 734 CO -0.00 0.76 -0.82 -0.91 -1.64 0.00 0.00 178.16 175.55 2jfd h ASN 735 N 0.12 0.19 -0.22 -2.11 2.35 -1.18 -2.15 115.58 112.57 2jfd h ASN 735 Ca 0.04 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 2jfd h ASN 735 Cb 0.65 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2jfd h ASN 735 CO 0.04 0.93 -0.01 0.58 -1.65 0.00 0.00 177.43 177.31 2jfd h VAL 736 N 0.09 1.26 -0.78 2.81 2.07 -1.16 -2.94 116.25 117.58 2jfd h VAL 736 Ca -0.03 -0.91 0.13 0.00 0.82 0.00 0.00 66.70 66.72 2jfd h VAL 736 Cb 1.43 1.42 -0.09 0.00 -1.52 0.00 0.00 31.29 32.53 2jfd h VAL 736 CO 0.12 0.28 0.37 -1.13 0.02 0.00 0.00 177.57 177.23 2jfd h ASN 737 N 0.15 0.42 -0.33 0.57 -1.24 -1.37 -1.70 115.58 112.08 2jfd h ASN 737 Ca 0.06 0.09 0.07 0.00 0.71 0.00 0.00 56.30 57.24 2jfd h ASN 737 Cb 0.42 0.04 -0.07 0.00 0.73 0.00 0.00 38.32 39.43 2jfd h ASN 737 CO 0.01 0.18 -0.18 -1.13 -1.29 0.00 0.00 177.43 175.03 2jfd h ASN 738 N 0.55 -0.59 -0.97 1.15 -0.73 -1.23 0.89 115.58 114.63 2jfd h ASN 738 Ca 0.42 0.13 0.03 0.00 1.87 0.00 0.00 56.30 58.75 2jfd h ASN 738 Cb 0.59 0.32 -0.05 0.00 0.27 0.00 0.00 38.32 39.44 2jfd h ASN 738 CO -0.36 -0.21 0.64 0.25 -0.37 0.00 0.00 177.43 177.38 2jfd h LEU 739 N -0.13 1.09 0.03 0.34 5.85 -1.15 -3.14 115.31 118.19 2jfd h LEU 739 Ca 0.17 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 2jfd h LEU 739 Cb 0.39 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2jfd h LEU 739 CO -0.41 0.76 -0.32 0.58 -0.34 0.00 0.00 178.44 178.71 2jfd h VAL 740 N 1.27 1.63 -4.31 1.05 2.07 -1.04 -2.75 116.25 114.18 2jfd h VAL 740 Ca 0.38 -2.37 -0.51 0.00 0.82 0.00 0.00 66.70 65.02 2jfd h VAL 740 Cb -0.06 3.22 0.11 0.00 -1.52 0.00 0.00 31.29 33.04 2jfd h VAL 740 CO -0.10 0.60 0.35 -0.44 0.02 0.00 0.00 177.57 178.00 2jfd s SER 741 N -6.44 5.00 0.73 0.57 0.01 0.30 -3.22 113.70 110.64 2jfd s SER 741 Ca -0.19 1.75 -0.11 0.00 1.31 0.00 0.00 55.95 58.70 2jfd s SER 741 Cb -0.01 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 63.73 2jfd s SER 741 CO 0.71 -1.70 1.07 -2.16 0.41 0.00 0.00 173.24 171.57 2jfd s PRO 742 N -4.86 2.67 -0.52 12.44 0.04 -1.26 -4.61 135.00 138.88 2jfd s PRO 742 Ca 0.60 0.81 -0.21 0.00 0.04 0.00 0.00 61.00 62.25 2jfd s PRO 742 Cb -0.16 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.46 2jfd s PRO 742 CO 0.53 -1.25 0.76 0.08 0.04 0.00 0.00 177.00 177.16 2jfd s VAL 743 N -3.10 4.67 -1.27 -0.36 1.01 0.28 -4.49 120.40 117.13 2jfd s VAL 743 Ca 0.59 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.30 2jfd s VAL 743 Cb -0.14 -4.40 0.17 0.00 0.00 0.00 0.00 36.38 32.01 2jfd s VAL 743 CO 0.55 -0.93 1.83 0.18 0.00 0.00 0.00 175.10 176.72 2jfd n LEU 744 N 6.71 6.49 -0.06 3.92 4.77 0.28 -0.96 117.00 138.15 2jfd n LEU 744 Ca -0.03 -4.62 -0.04 0.00 -0.03 0.00 0.00 56.01 51.29 2jfd n LEU 744 Cb 0.46 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 2jfd n LEU 744 CO 0.58 1.30 -0.02 0.15 -1.33 0.00 0.00 177.39 178.07 2jfd h PHE 745 N 5.91 0.00 -0.90 -1.77 3.57 -1.78 -3.25 116.94 118.72 2jfd h PHE 745 Ca 0.39 0.00 0.20 0.00 3.53 0.00 0.00 57.97 62.09 2jfd h PHE 745 Cb 0.66 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.28 2jfd h PHE 745 CO 1.24 0.24 0.44 0.37 -2.23 0.00 0.00 178.31 178.36 2jfd h GLN 746 N -1.00 0.48 -0.40 1.11 -0.00 -0.70 0.84 115.11 115.43 2jfd h GLN 746 Ca -0.02 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 2jfd h GLN 746 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.67 2jfd h GLN 746 CO -0.01 0.32 0.18 0.93 0.00 0.00 0.00 178.83 180.24 2jfd h GLU 747 N 0.49 0.56 -0.15 1.69 3.07 -1.81 -1.60 114.58 116.83 2jfd h GLU 747 Ca 0.55 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 59.25 2jfd h GLU 747 Cb 0.97 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 2jfd h GLU 747 CO -0.47 0.46 -0.27 0.00 -1.40 0.00 0.00 179.01 177.32 2jfd h ALA 748 N 1.63 0.24 -0.93 3.43 0.00 -0.90 -3.21 119.26 119.52 2jfd h ALA 748 Ca 0.14 -0.40 0.23 0.00 0.00 0.00 0.00 54.91 54.88 2jfd h ALA 748 Cb 0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2jfd h ALA 748 CO -0.02 0.24 0.63 -0.07 0.00 0.00 0.00 179.25 180.03 2jfd h LEU 749 N 0.08 0.34 -1.99 0.00 3.38 -0.37 0.11 115.31 116.86 2jfd h LEU 749 Ca 0.01 0.04 0.27 0.00 0.09 0.00 0.00 57.88 58.29 2jfd h LEU 749 Cb 0.86 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2jfd h LEU 749 CO 0.06 0.12 0.67 -0.25 0.09 0.00 0.00 178.44 179.13 2jfd h TRP 750 N 0.33 0.00 0.00 1.13 7.01 -1.40 -1.96 115.95 121.06 2jfd h TRP 750 Ca 0.49 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.49 2jfd h TRP 750 Cb 1.35 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.41 2jfd h TRP 750 CO -0.00 0.00 -0.48 0.45 -2.79 0.00 0.00 178.44 175.62 2jfd h HIS 751 N 0.00 0.00 -2.75 2.65 3.86 -0.95 -3.45 115.15 114.50 2jfd h HIS 751 Ca 0.44 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 59.12 2jfd h HIS 751 Cb 1.78 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.27 2jfd h HIS 751 CO 0.00 0.00 0.94 0.08 0.86 0.00 0.00 177.93 179.81 2jfd s VAL 752 N -3.20 3.09 1.01 2.45 1.01 -0.74 -4.98 120.40 119.05 2jfd s VAL 752 Ca 0.06 0.59 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 2jfd s VAL 752 Cb 0.11 -3.38 0.25 0.00 0.00 0.00 0.00 36.38 33.36 2jfd s VAL 752 CO 0.70 0.01 1.01 -0.81 0.00 0.00 0.00 175.10 176.01 2jfd n PRO 753 N 5.25 -2.39 -0.11 2.72 -0.04 -1.26 -4.99 135.00 134.18 2jfd n PRO 753 Ca 0.15 -1.59 -0.11 0.00 -0.04 0.00 0.00 63.50 61.91 2jfd n PRO 753 Cb 0.41 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 2jfd n PRO 753 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2jfd h GLU 754 N 0.00 0.57 -0.85 0.54 4.39 -1.94 -3.26 114.58 114.03 2jfd h GLU 754 Ca -0.36 -0.19 -0.59 0.00 0.34 0.00 0.00 59.36 58.56 2jfd h GLU 754 Cb 1.07 -0.05 -0.33 0.00 -0.10 0.00 0.00 28.75 29.34 2jfd h GLU 754 CO 0.24 0.71 0.12 0.72 -1.16 0.00 0.00 179.01 179.65 2jfd n HIS 755 N -4.53 2.89 -2.46 4.33 8.25 -1.26 -2.86 115.22 119.58 2jfd n HIS 755 Ca -0.02 -2.57 -0.38 0.00 -0.26 0.00 0.00 57.72 54.49 2jfd n HIS 755 Cb 0.27 -0.93 -0.03 0.00 1.12 0.00 0.00 29.99 30.42 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 3.16 -0.17 -1.41 0.00 -1.23 -4.23 121.76 114.20 2jfd s ALA 756 Ca 0.58 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 53.22 2jfd s ALA 756 Cb 0.46 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 2jfd s ALA 756 CO 0.01 -0.30 0.27 0.08 0.00 0.00 0.00 175.76 175.82 2jfd s VAL 757 N -1.50 5.32 -0.09 0.00 1.01 -0.17 -1.06 120.40 123.92 2jfd s VAL 757 Ca 0.55 0.49 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2jfd s VAL 757 Cb -0.26 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2jfd s VAL 757 CO 0.33 0.40 -0.09 -0.69 0.00 0.00 0.00 175.10 175.05 2jfd s VAL 758 N 0.45 1.00 -0.21 2.92 1.01 0.14 -0.23 120.40 125.48 2jfd s VAL 758 Ca 0.15 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 2jfd s VAL 758 Cb -0.13 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2jfd s VAL 758 CO 0.03 0.35 -0.00 -0.76 0.00 0.00 0.00 175.10 174.72 2jfd s LEU 759 N 1.34 3.16 -0.45 3.92 1.43 -0.22 0.14 118.68 128.01 2jfd s LEU 759 Ca -0.02 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.55 2jfd s LEU 759 Cb -0.14 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2jfd s LEU 759 CO -0.04 0.02 0.96 -0.70 0.23 0.00 0.00 176.35 176.82 2jfd s GLU 760 N 1.25 3.61 -0.59 1.70 2.12 -0.12 -1.26 118.70 125.42 2jfd s GLU 760 Ca 0.04 0.29 -0.20 0.00 0.36 0.00 0.00 54.97 55.46 2jfd s GLU 760 Cb -0.15 -3.90 0.09 0.00 0.26 0.00 0.00 34.13 30.43 2jfd s GLU 760 CO 0.01 -1.21 0.74 0.42 -0.54 0.00 0.00 175.26 174.68 2jfd s ILE 761 N 3.83 4.74 -0.23 -3.70 1.01 0.20 -3.25 121.20 123.81 2jfd s ILE 761 Ca 0.39 -0.83 -0.28 0.00 0.00 0.00 0.00 60.65 59.93 2jfd s ILE 761 Cb -0.10 -4.50 0.15 0.00 0.01 0.00 0.00 42.46 38.02 2jfd s ILE 761 CO 0.26 -1.14 1.13 0.00 0.00 0.00 0.00 174.94 175.19 2jfd s ALA 762 N 2.90 -2.01 0.50 9.38 0.00 -1.26 -2.98 121.76 128.29 2jfd s ALA 762 Ca 0.14 1.72 0.37 0.00 0.00 0.00 0.00 51.96 54.19 2jfd s ALA 762 Cb -0.22 -1.15 2.03 0.00 0.00 0.00 0.00 23.12 23.77 2jfd s ALA 762 CO 0.08 -0.26 2.14 -1.35 0.00 0.00 0.00 175.76 176.37 2jfd h PRO 763 N 2.83 0.00 -3.61 0.00 0.11 -1.89 -3.36 132.00 126.09 2jfd h PRO 763 Ca -0.19 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.76 2jfd h PRO 763 Cb 1.17 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.06 2jfd h PRO 763 CO 0.24 0.00 -0.56 -1.58 -0.21 0.00 0.00 178.00 175.89 2jfd s HIS 764 N -4.01 0.06 -1.29 0.65 5.65 -1.25 -4.20 115.29 110.90 2jfd s HIS 764 Ca -0.04 -0.13 -0.06 0.00 0.25 0.00 0.00 55.06 55.07 2jfd s HIS 764 Cb 0.11 -0.06 0.15 0.00 -1.18 0.00 0.00 32.58 31.59 2jfd s HIS 764 CO 0.34 -0.22 2.19 0.00 -0.65 0.00 0.00 174.74 176.40 2jfd n ALA 765 N 1.80 6.34 -0.14 1.58 0.00 -1.00 -4.73 120.51 124.35 2jfd n ALA 765 Ca -0.21 -4.19 -0.05 0.00 0.00 0.00 0.00 53.44 48.99 2jfd n ALA 765 Cb 0.56 -2.79 0.04 0.00 0.00 0.00 0.00 19.45 17.26 2jfd n ALA 765 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jfd h LEU 766 N 6.14 0.26 0.00 0.00 5.85 -1.94 -2.93 115.31 122.69 2jfd h LEU 766 Ca 0.60 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.35 2jfd h LEU 766 Cb 0.40 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2jfd h LEU 766 CO 1.50 0.18 0.00 0.18 -0.34 0.00 0.00 178.44 179.97 2jfd n LEU 767 N -4.95 0.00 -0.13 2.25 4.77 -1.26 -3.99 117.00 113.69 2jfd n LEU 767 Ca 0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 2jfd n LEU 767 Cb 0.14 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 2jfd n LEU 767 CO 0.28 0.00 0.95 1.56 -1.33 0.00 0.00 177.39 178.84 2jfd h GLN 768 N 0.00 0.30 0.15 3.23 1.08 -1.92 0.29 115.11 118.23 2jfd h GLN 768 Ca 0.00 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2jfd h GLN 768 Cb 0.00 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.32 2jfd h GLN 768 CO 0.00 0.20 -0.41 0.00 -0.95 0.00 0.00 178.83 177.67 2jfd h ALA 769 N 1.28 -0.74 -0.57 3.87 0.00 -1.84 -0.47 119.26 120.79 2jfd h ALA 769 Ca 0.20 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2jfd h ALA 769 Cb 0.19 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2jfd h ALA 769 CO -0.21 -0.98 0.14 0.28 0.00 0.00 0.00 179.25 178.48 2jfd h VAL 770 N -0.66 1.23 -0.10 0.00 2.07 -1.68 -1.10 116.25 116.01 2jfd h VAL 770 Ca 0.02 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 2jfd h VAL 770 Cb 0.68 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2jfd h VAL 770 CO -0.22 0.32 0.05 -0.07 0.02 0.00 0.00 177.57 177.66 2jfd h LEU 771 N 0.85 0.13 -0.59 2.57 3.38 -0.18 0.13 115.31 121.59 2jfd h LEU 771 Ca 0.18 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2jfd h LEU 771 Cb 0.31 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2jfd h LEU 771 CO -0.00 0.22 0.38 0.11 0.09 0.00 0.00 178.44 179.24 2jfd h LYS 772 N 0.04 0.75 -0.53 1.13 1.57 -0.78 -2.45 116.57 116.29 2jfd h LYS 772 Ca 0.03 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2jfd h LYS 772 Cb 0.12 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2jfd h LYS 772 CO -0.00 0.50 0.33 0.00 -0.57 0.00 0.00 179.45 179.70 2jfd h ARG 773 N 0.77 0.72 -0.74 3.15 3.08 -0.98 -3.09 114.38 117.29 2jfd h ARG 773 Ca 0.23 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 2jfd h ARG 773 Cb -0.05 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2jfd h ARG 773 CO -0.07 0.52 0.02 0.41 -1.07 0.00 0.00 179.97 179.78 2jfd n GLY 774 N -1.14 2.53 3.60 0.04 0.00 0.45 -4.90 105.19 105.76 2jfd n GLY 774 Ca 0.03 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.82 0.37 0.27 0.99 1.43 -0.96 -4.84 118.68 114.13 2jfd s LEU 775 Ca 0.36 -1.01 0.09 0.00 -1.03 0.00 0.00 54.13 52.54 2jfd s LEU 775 Cb 0.27 1.82 -0.04 0.00 0.03 0.00 0.00 46.19 48.28 2jfd s LEU 775 CO 0.10 -1.20 0.04 -0.54 0.23 0.00 0.00 176.35 174.98 2jfd s LYS 776 N -3.77 2.41 0.30 1.70 3.01 -1.26 -4.84 119.74 117.28 2jfd s LYS 776 Ca 0.23 -1.36 0.04 0.00 -1.01 0.00 0.00 55.97 53.87 2jfd s LYS 776 Cb -0.01 -2.23 0.65 0.00 -1.01 0.00 0.00 37.83 35.23 2jfd s LYS 776 CO 0.11 0.36 1.83 -1.35 0.51 0.00 0.00 175.35 176.80 2jfd h PRO 777 N 1.80 0.86 0.00 -1.68 0.11 -1.93 0.57 132.00 131.72 2jfd h PRO 777 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jfd h PRO 777 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2jfd h PRO 777 CO 0.61 0.57 0.00 0.66 -0.21 0.00 0.00 178.00 179.62 2jfd h SER 778 N 0.88 0.00 -3.83 -2.05 4.64 -1.96 -3.42 113.55 107.81 2jfd h SER 778 Ca 0.51 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.35 2jfd h SER 778 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 2jfd h SER 778 CO -0.28 0.00 0.35 0.00 -0.87 0.00 0.00 176.83 176.02 2jfd s THR 780 N -1.44 3.82 -0.17 0.00 2.01 -0.22 -4.80 115.64 114.83 2jfd s THR 780 Ca 0.47 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.08 2jfd s THR 780 Cb -0.21 -2.66 0.02 0.00 0.01 0.00 0.00 72.50 69.66 2jfd s THR 780 CO 0.27 0.51 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.90 2jfd s ILE 781 N 0.22 1.89 -0.18 1.82 1.01 -1.26 0.29 121.20 124.98 2jfd s ILE 781 Ca -0.03 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.78 2jfd s ILE 781 Cb -0.14 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.62 2jfd s ILE 781 CO 0.03 0.49 -0.14 -0.63 0.00 0.00 0.00 174.94 174.69 2jfd s ILE 782 N 1.35 1.81 0.36 2.92 1.01 0.12 -4.98 121.20 123.79 2jfd s ILE 782 Ca 0.05 -0.94 -0.16 0.00 0.00 0.00 0.00 60.65 59.59 2jfd s ILE 782 Cb -0.13 -1.75 -0.09 0.00 0.01 0.00 0.00 42.46 40.49 2jfd s ILE 782 CO -0.12 0.35 0.81 -2.16 0.00 0.00 0.00 174.94 173.81 2jfd s PRO 783 N 1.36 4.05 -0.08 2.79 0.04 -1.26 -0.94 135.00 140.96 2jfd s PRO 783 Ca 0.02 0.79 0.17 0.00 0.04 0.00 0.00 61.00 62.02 2jfd s PRO 783 Cb -0.15 -2.35 -0.26 0.00 0.04 0.00 0.00 34.50 31.79 2jfd s PRO 783 CO -0.10 0.08 0.28 1.28 0.04 0.00 0.00 177.00 178.58 2jfd n LEU 784 N -0.53 0.00 -3.82 -3.56 4.77 -1.20 -4.71 117.00 107.94 2jfd n LEU 784 Ca 0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 2jfd n LEU 784 Cb 0.53 0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.68 2jfd n LEU 784 CO 0.41 0.15 -0.11 -0.04 -1.33 0.00 0.00 177.39 176.47 2jfd s MET 785 N -2.97 0.48 -0.06 3.23 -1.94 -1.26 -3.64 119.30 113.14 2jfd s MET 785 Ca -0.07 -0.17 0.06 0.00 -1.71 0.00 0.00 55.69 53.80 2jfd s MET 785 Cb 0.09 0.21 -0.01 0.00 2.01 0.00 0.00 34.83 37.13 2jfd s MET 785 CO 0.74 -0.11 -0.24 0.21 -0.01 0.00 0.00 175.02 175.61 2jfd s LYS 786 N -1.00 2.48 0.06 2.03 2.47 -1.26 -2.38 119.74 122.14 2jfd s LYS 786 Ca -0.11 -0.87 -0.32 0.00 -1.56 0.00 0.00 55.97 53.11 2jfd s LYS 786 Cb -0.06 -2.10 -0.11 0.00 -1.46 0.00 0.00 37.83 34.11 2jfd s LYS 786 CO 0.02 0.36 1.83 0.36 0.16 0.00 0.00 175.35 178.08 2jfd n LYS 787 N 3.00 2.56 -1.45 4.03 0.00 -1.26 -2.09 118.16 122.95 2jfd n LYS 787 Ca -0.18 0.93 -0.14 0.00 -0.00 0.00 0.00 58.31 58.93 2jfd n LYS 787 Cb 0.52 -2.81 -0.06 0.00 -0.00 0.00 0.00 35.03 32.69 2jfd n LYS 787 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jfd n ASP 788 N 5.86 -4.62 -4.77 -5.58 9.92 -1.26 -4.97 116.55 111.12 2jfd n ASP 788 Ca 0.19 0.32 -0.40 0.00 -0.53 0.00 0.00 54.79 54.37 2jfd n ASP 788 Cb 0.35 -3.36 0.01 0.00 -0.64 0.00 0.00 41.12 37.48 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 -2.52 2.53 0.27 1.24 2.46 -0.89 -4.89 115.29 113.50 2jfd s HIS 789 Ca 0.00 1.27 -0.08 0.00 0.47 0.00 0.00 55.06 56.72 2jfd s HIS 789 Cb 0.00 -3.89 0.44 0.00 -0.13 0.00 0.00 32.58 29.00 2jfd s HIS 789 CO 0.00 -2.81 1.58 0.07 -2.47 0.00 0.00 174.74 171.11 2jfd h ARG 790 N 2.48 0.00 -1.26 2.88 -0.00 -1.93 -3.38 114.38 113.17 2jfd h ARG 790 Ca -0.51 -0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.41 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 -0.86 0.60 0.08 3.68 -1.26 -5.04 116.67 108.64 2jfd s ASP 791 Ca -0.15 -0.17 0.37 0.00 2.13 0.00 0.00 52.55 54.73 2jfd s ASP 791 Cb 0.26 1.67 1.91 0.00 -1.45 0.00 0.00 42.92 45.31 2jfd s ASP 791 CO 0.77 -0.30 2.20 0.78 0.13 0.00 0.00 175.17 178.75 2jfd h ASN 792 N 7.91 0.00 0.22 -0.34 2.35 -1.89 -1.89 115.58 121.93 2jfd h ASN 792 Ca -0.03 0.00 -0.01 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 0.18 0.03 -0.10 0.25 -1.65 0.00 0.00 177.43 176.14 2jfd h LEU 793 N 0.00 -0.25 -0.59 1.61 5.85 -1.94 0.65 115.31 120.65 2jfd h LEU 793 Ca -0.00 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.77 2jfd h LEU 793 Cb 0.20 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.19 2jfd h LEU 793 CO 0.00 -0.09 -0.07 -0.08 -0.34 0.00 0.00 178.44 177.87 2jfd h GLU 794 N -0.39 0.05 -0.01 1.25 4.81 -1.75 0.29 114.58 118.83 2jfd h GLU 794 Ca -0.03 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2jfd h GLU 794 Cb 0.30 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 2jfd h GLU 794 CO 0.05 0.04 0.01 0.35 -0.73 0.00 0.00 179.01 178.72 2jfd h PHE 795 N 0.06 0.01 -0.22 0.92 3.04 -1.16 0.12 116.94 119.71 2jfd h PHE 795 Ca 0.30 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.27 2jfd h PHE 795 Cb 0.47 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 2jfd h PHE 795 CO -0.42 0.09 0.07 0.35 -2.02 0.00 0.00 178.31 176.39 2jfd h PHE 796 N -0.07 0.13 -0.36 0.41 3.57 0.99 -1.18 116.94 120.42 2jfd h PHE 796 Ca 0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2jfd h PHE 796 Cb 0.08 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 2jfd h PHE 796 CO -0.05 0.06 0.11 -0.07 -2.23 0.00 0.00 178.31 176.13 2jfd h LEU 797 N 0.17 0.10 -0.94 0.59 3.38 -0.20 0.77 115.31 119.18 2jfd h LEU 797 Ca 0.09 0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.32 2jfd h LEU 797 Cb 0.06 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 40.74 2jfd h LEU 797 CO -0.10 0.09 0.51 0.00 0.09 0.00 0.00 178.44 179.03 2jfd h ALA 798 N 1.25 1.58 -0.61 1.53 0.00 -0.36 0.12 119.26 122.76 2jfd h ALA 798 Ca 0.17 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2jfd h ALA 798 Cb 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2jfd h ALA 798 CO -0.19 -0.23 0.28 0.78 0.00 0.00 0.00 179.25 179.90 2jfd h GLY 799 N 0.56 0.95 1.46 0.00 0.00 0.33 -0.71 103.07 105.65 2jfd h GLY 799 Ca 0.58 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 2jfd h GLY 799 CO -0.46 0.46 -0.13 -2.22 0.00 0.00 0.00 176.54 174.19 2jfd h ILE 800 N 0.84 1.25 -0.93 2.60 1.08 0.61 -0.58 117.51 122.38 2jfd h ILE 800 Ca 0.21 -1.12 0.07 0.00 -0.39 0.00 0.00 64.86 63.63 2jfd h ILE 800 Cb 0.14 1.11 -0.07 0.00 -3.07 0.00 0.00 36.82 34.93 2jfd h ILE 800 CO -0.02 0.38 0.58 1.23 -0.69 0.00 0.00 178.15 179.62 2jfd h GLY 801 N 0.97 1.43 1.58 5.37 0.00 -0.22 -2.60 103.07 109.60 2jfd h GLY 801 Ca 0.10 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 2jfd h GLY 801 CO 0.04 0.26 -0.30 3.21 0.00 0.00 0.00 176.54 179.75 2jfd h ARG 802 N 1.03 0.48 -0.69 4.80 3.08 0.38 -1.42 114.38 122.04 2jfd h ARG 802 Ca 0.42 -0.20 0.12 0.00 0.07 0.00 0.00 59.98 60.38 2jfd h ARG 802 Cb 0.23 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.18 2jfd h ARG 802 CO -0.19 0.74 0.26 -0.07 -1.07 0.00 0.00 179.97 179.64 2jfd h LEU 803 N 0.42 0.24 0.32 3.04 3.38 -1.04 -1.99 115.31 119.68 2jfd h LEU 803 Ca 0.05 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2jfd h LEU 803 Cb 0.74 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2jfd h LEU 803 CO 0.06 0.12 -0.28 -0.74 0.09 0.00 0.00 178.44 177.68 2jfd h HIS 804 N 0.42 -0.75 0.00 1.13 2.76 -1.14 -1.03 115.15 116.54 2jfd h HIS 804 Ca 0.37 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 2jfd h HIS 804 Cb 0.51 0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.76 2jfd h HIS 804 CO -0.17 -0.41 0.13 -0.07 -1.30 0.00 0.00 177.93 176.11 2jfd h LEU 805 N -0.62 0.00 -3.20 0.26 3.38 -0.86 0.13 115.31 114.40 2jfd h LEU 805 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jfd h LEU 805 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2jfd h LEU 805 CO -0.03 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.96 2jfd n SER 806 N -2.38 4.16 0.00 -0.43 3.41 -0.55 -4.61 113.62 113.22 2jfd n SER 806 Ca -0.02 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.92 2jfd n SER 806 Cb 0.17 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 0.21 2.13 3.73 5.00 0.00 0.46 -4.88 105.19 111.84 2jfd n GLY 807 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.93 4.20 -0.50 -0.61 -1.09 -0.50 -4.96 121.20 114.81 2jfd s ILE 808 Ca 0.00 1.85 -0.23 0.00 -2.23 0.00 0.00 60.65 60.04 2jfd s ILE 808 Cb 0.00 -4.18 0.04 0.00 -1.58 0.00 0.00 42.46 36.74 2jfd s ILE 808 CO 0.00 0.29 0.83 -0.62 -1.23 0.00 0.00 174.94 174.21 2jfd s ASP 809 N -0.02 6.36 -0.29 3.58 2.15 -1.26 -3.53 116.67 123.66 2jfd s ASP 809 Ca 0.48 -0.30 -0.03 0.00 0.43 0.00 0.00 52.55 53.14 2jfd s ASP 809 Cb -0.26 -2.39 0.11 0.00 -0.30 0.00 0.00 42.92 40.08 2jfd s ASP 809 CO 0.32 -1.03 0.20 0.00 -0.17 0.00 0.00 175.17 174.48 2jfd s ALA 810 N 3.46 0.18 -0.52 3.66 0.00 -1.26 -4.90 121.76 122.38 2jfd s ALA 810 Ca 0.28 -0.76 -0.26 0.00 0.00 0.00 0.00 51.96 51.22 2jfd s ALA 810 Cb -0.13 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.47 2jfd s ALA 810 CO 0.20 -1.66 1.03 1.21 0.00 0.00 0.00 175.76 176.54 2jfd s ASN 811 N 2.21 6.47 0.61 0.00 3.84 -1.26 -4.91 114.94 121.89 2jfd s ASN 811 Ca 0.09 0.06 0.35 0.00 0.21 0.00 0.00 52.86 53.57 2jfd s ASN 811 Cb -0.15 -2.49 1.96 0.00 -0.55 0.00 0.00 41.25 40.02 2jfd s ASN 811 CO -0.35 -1.24 2.26 1.55 -2.79 0.00 0.00 177.10 176.53 2jfd h PRO 812 N 9.28 0.00 -0.99 0.43 0.13 -1.93 -2.47 132.00 136.45 2jfd h PRO 812 Ca -0.25 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 65.19 2jfd h PRO 812 Cb 1.07 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.05 2jfd h PRO 812 CO 1.10 0.02 0.53 -0.91 -0.23 0.00 0.00 178.00 178.51 2jfd h ASN 813 N 0.00 0.47 -0.85 1.44 2.35 -1.91 0.30 115.58 117.38 2jfd h ASN 813 Ca -0.00 0.19 0.22 0.00 -0.55 0.00 0.00 56.30 56.16 2jfd h ASN 813 Cb 0.08 0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 2jfd h ASN 813 CO 0.00 -0.12 0.59 0.00 -1.65 0.00 0.00 177.43 176.25 2jfd h ALA 814 N 1.84 2.54 0.00 -0.83 0.00 -1.77 -1.38 119.26 119.66 2jfd h ALA 814 Ca 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.61 2jfd h ALA 814 Cb 1.58 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2jfd h ALA 814 CO -0.60 -0.80 0.00 1.28 0.00 0.00 0.00 179.25 179.13 2jfd n LEU 815 N -4.38 0.71 -4.58 0.00 4.77 0.11 -4.86 117.00 108.77 2jfd n LEU 815 Ca 0.18 0.59 -0.25 0.00 -0.03 0.00 0.00 56.01 56.49 2jfd n LEU 815 Cb 0.81 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 2jfd n LEU 815 CO 0.35 -0.25 -0.36 -0.36 -1.33 0.00 0.00 177.39 175.45 2jfd s PHE 816 N -3.14 2.46 0.69 -1.77 0.40 -0.52 -4.61 117.98 111.49 2jfd s PHE 816 Ca 0.09 -0.47 -0.17 0.00 -0.60 0.00 0.00 56.93 55.79 2jfd s PHE 816 Cb 0.12 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 42.24 2jfd s PHE 816 CO 0.54 0.55 1.08 -2.30 0.70 0.00 0.00 175.22 175.79 2jfd n PRO 817 N -0.85 0.70 -1.53 0.24 -0.02 -1.26 -4.98 135.00 127.30 2jfd n PRO 817 Ca -0.05 0.30 -0.30 0.00 -2.02 0.00 0.00 63.50 61.43 2jfd n PRO 817 Cb 0.63 -2.32 0.11 0.00 -0.02 0.00 0.00 33.50 31.89 2jfd n PRO 817 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jfd s PRO 818 N -3.33 1.78 0.00 0.52 0.04 -1.26 -5.03 135.00 127.71 2jfd s PRO 818 Ca 0.77 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2jfd s PRO 818 Cb -0.36 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2jfd s PRO 818 CO 0.47 -1.81 0.91 0.28 0.04 0.00 0.00 177.00 176.89 2jfd n VAL 819 N -3.55 0.00 -1.57 -0.36 0.31 -1.26 -5.12 118.33 106.78 2jfd n VAL 819 Ca 0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.98 2jfd n VAL 819 Cb 0.57 0.58 0.01 0.00 -0.91 0.00 0.00 33.84 34.09 2jfd n VAL 819 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2jfd n GLU 820 N 0.00 1.15 -2.33 5.55 1.02 -1.26 -4.33 120.64 120.44 2jfd n GLU 820 Ca 0.00 0.41 -0.04 0.00 -0.02 0.00 0.00 57.16 57.51 2jfd n GLU 820 Cb 0.67 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2jfd n GLU 820 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2jfd n PHE 821 N -0.50 -0.32 1.09 -0.32 -0.00 -1.26 -5.16 117.46 110.99 2jfd n PHE 821 Ca 0.10 0.08 0.09 0.00 -0.00 0.00 0.00 57.45 57.71 2jfd n PHE 821 Cb 0.38 -1.61 0.52 0.00 -0.00 0.00 0.00 39.48 38.77 2jfd n PHE 821 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41