#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfd s MET 421 N 0.00 4.62 -0.00 1.43 -2.45 -1.26 -4.76 119.30 116.88 2jfd s MET 421 Ca 0.00 1.65 -0.06 0.00 -1.25 0.00 0.00 55.69 56.03 2jfd s MET 421 Cb 0.00 -3.30 0.00 0.00 1.25 0.00 0.00 34.83 32.78 2jfd s MET 421 CO 0.00 0.12 0.12 1.03 1.05 0.00 0.00 175.02 177.34 2jfd s ARG 422 N -0.30 0.42 -0.14 4.11 1.81 0.02 -5.00 118.95 119.88 2jfd s ARG 422 Ca 0.49 -0.34 -0.19 0.00 -1.72 0.00 0.00 55.73 53.96 2jfd s ARG 422 Cb -0.28 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.36 2jfd s ARG 422 CO 0.34 -0.10 0.53 -1.17 -0.68 0.00 0.00 175.30 174.22 2jfd s LEU 423 N -1.20 4.23 -0.14 2.53 2.96 -1.26 -0.23 118.68 125.58 2jfd s LEU 423 Ca -0.13 0.83 -0.01 0.00 -0.22 0.00 0.00 54.13 54.60 2jfd s LEU 423 Cb -0.07 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 43.83 2jfd s LEU 423 CO 0.01 -0.09 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.64 2jfd s LEU 424 N 1.05 2.93 0.05 -0.68 2.96 0.36 -4.85 118.68 120.50 2jfd s LEU 424 Ca 0.27 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.01 2jfd s LEU 424 Cb -0.16 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2jfd s LEU 424 CO 0.11 0.18 -0.14 0.00 -1.32 0.00 0.00 176.35 175.18 2jfd s ARG 425 N 0.30 2.18 0.05 1.98 1.70 -1.26 -0.82 118.95 123.08 2jfd s ARG 425 Ca -0.07 -0.94 -0.02 0.00 -0.47 0.00 0.00 55.73 54.23 2jfd s ARG 425 Cb -0.15 -2.28 -0.03 0.00 -0.57 0.00 0.00 34.95 31.91 2jfd s ARG 425 CO 0.04 0.54 -0.00 0.00 -1.08 0.00 0.00 175.30 174.81 2jfd s ALA 426 N -1.01 0.41 0.04 7.88 0.00 -0.10 -4.50 121.76 124.47 2jfd s ALA 426 Ca 0.17 -1.11 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 2jfd s ALA 426 Cb -0.11 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 2jfd s ALA 426 CO 0.08 -0.38 0.12 -1.12 0.00 0.00 0.00 175.76 174.46 2jfd s SER 427 N -2.86 0.14 -0.22 0.00 0.01 -1.26 -1.00 113.70 108.50 2jfd s SER 427 Ca 0.06 -0.48 -0.36 0.00 1.31 0.00 0.00 55.95 56.47 2jfd s SER 427 Cb 0.07 0.24 0.15 0.00 0.21 0.00 0.00 66.02 66.69 2jfd s SER 427 CO -0.10 -0.52 1.29 -0.83 0.41 0.00 0.00 173.24 173.50 2jfd s GLY 428 N -2.10 -0.27 0.63 3.44 0.00 0.60 -4.66 107.32 104.96 2jfd s GLY 428 Ca -0.05 1.67 0.41 0.00 0.00 0.00 0.00 44.72 46.75 2jfd s GLY 428 CO -0.04 0.55 2.24 3.21 0.00 0.00 0.00 173.10 179.06 2jfd h ARG 429 N 2.00 0.00 -2.42 2.90 3.08 -1.85 -1.99 114.38 116.10 2jfd h ARG 429 Ca -0.08 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 2jfd h ARG 429 Cb 1.15 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.97 2jfd h ARG 429 CO 0.21 0.00 -0.08 -0.08 -1.07 0.00 0.00 179.97 178.96 2jfd s THR 430 N -3.98 -0.00 0.42 2.04 -1.32 -1.26 -4.72 115.64 106.82 2jfd s THR 430 Ca -0.03 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.69 2jfd s THR 430 Cb 0.12 -0.76 0.43 0.00 -1.51 0.00 0.00 72.50 70.78 2jfd s THR 430 CO 0.46 0.00 1.73 -0.65 -2.21 0.00 0.00 174.62 173.94 2jfd h PRO 431 N 5.29 0.26 -0.12 7.08 0.11 -1.94 0.33 132.00 143.01 2jfd h PRO 431 Ca -0.28 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 2jfd h PRO 431 Cb 1.17 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2jfd h PRO 431 CO 0.16 0.17 0.03 0.93 -0.21 0.00 0.00 178.00 179.09 2jfd h GLU 432 N 0.27 0.19 -0.66 1.05 3.07 -1.97 1.38 114.58 117.90 2jfd h GLU 432 Ca 0.66 -0.04 0.09 0.00 -0.50 0.00 0.00 59.36 59.57 2jfd h GLU 432 Cb 1.89 -0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 29.66 2jfd h GLU 432 CO -0.31 0.34 -0.47 0.00 -1.40 0.00 0.00 179.01 177.17 2jfd h ALA 433 N 0.84 -0.37 0.31 3.43 0.00 -0.76 1.93 119.26 124.65 2jfd h ALA 433 Ca 0.04 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2jfd h ALA 433 Cb 0.23 1.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2jfd h ALA 433 CO -0.00 -0.86 -0.15 0.28 0.00 0.00 0.00 179.25 178.52 2jfd h VAL 434 N -0.19 0.00 -0.98 0.00 2.07 -1.08 0.58 116.25 116.65 2jfd h VAL 434 Ca 0.18 -0.01 0.28 0.00 0.82 0.00 0.00 66.70 67.97 2jfd h VAL 434 Cb 0.55 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.18 2jfd h VAL 434 CO -0.75 0.00 0.53 1.56 0.02 0.00 0.00 177.57 178.93 2jfd h GLN 435 N -0.43 0.38 -0.02 1.57 4.20 0.25 1.26 115.11 122.32 2jfd h GLN 435 Ca -0.04 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2jfd h GLN 435 Cb 0.32 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2jfd h GLN 435 CO 0.07 0.25 -0.00 1.57 -0.67 0.00 0.00 178.83 180.05 2jfd h LYS 436 N 0.39 0.03 -0.71 1.46 2.10 0.32 -1.75 116.57 118.41 2jfd h LYS 436 Ca 0.68 -0.01 0.10 0.00 -2.00 0.00 0.00 60.65 59.42 2jfd h LYS 436 Cb 1.45 -0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.73 2jfd h LYS 436 CO -0.57 0.34 0.47 1.25 -2.00 0.00 0.00 179.45 178.93 2jfd h LEU 437 N -0.28 0.53 -0.07 7.07 5.85 0.71 -1.71 115.31 127.41 2jfd h LEU 437 Ca 0.00 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.57 2jfd h LEU 437 Cb 0.32 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.26 2jfd h LEU 437 CO 0.00 0.32 -0.61 -0.07 -0.34 0.00 0.00 178.44 177.74 2jfd h LEU 438 N 0.59 0.66 -1.52 2.25 3.38 -0.69 -3.12 115.31 116.86 2jfd h LEU 438 Ca 0.33 -0.68 0.32 0.00 0.09 0.00 0.00 57.88 57.94 2jfd h LEU 438 Cb 0.49 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 2jfd h LEU 438 CO -0.11 1.24 0.76 -0.33 0.09 0.00 0.00 178.44 180.09 2jfd h GLU 439 N 0.12 0.23 -0.18 1.13 4.39 -0.40 0.22 114.58 120.10 2jfd h GLU 439 Ca -0.06 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 2jfd h GLU 439 Cb 1.28 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2jfd h GLU 439 CO 0.12 0.15 -0.27 1.96 -1.16 0.00 0.00 179.01 179.81 2jfd h GLN 440 N 0.24 0.50 -0.72 2.33 1.08 -1.40 -1.91 115.11 115.23 2jfd h GLN 440 Ca 0.64 -0.30 0.05 0.00 -1.45 0.00 0.00 58.65 57.59 2jfd h GLN 440 Cb 1.93 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 29.34 2jfd h GLN 440 CO -0.26 0.90 0.43 0.78 -0.95 0.00 0.00 178.83 179.73 2jfd h GLY 441 N 0.14 1.05 1.00 3.46 0.00 -0.62 -1.26 103.07 106.84 2jfd h GLY 441 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2jfd h GLY 441 CO 0.06 0.24 0.36 -2.00 0.00 0.00 0.00 176.54 175.20 2jfd h LEU 442 N 0.82 0.66 0.00 3.11 5.85 -0.83 -0.31 115.31 124.61 2jfd h LEU 442 Ca 0.30 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2jfd h LEU 442 Cb 0.10 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2jfd h LEU 442 CO -0.14 0.50 0.00 0.54 -0.34 0.00 0.00 178.44 179.00 2jfd n ARG 443 N -4.67 0.91 -1.16 1.25 5.12 -0.73 -2.12 116.66 115.26 2jfd n ARG 443 Ca 0.04 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.99 2jfd n ARG 443 Cb 0.03 -1.37 0.11 0.00 -1.16 0.00 0.00 32.46 30.07 2jfd n ARG 443 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2jfd n HIS 444 N -0.87 0.13 -0.32 -1.55 8.25 -0.50 -4.94 115.22 115.42 2jfd n HIS 444 Ca 0.16 -1.06 0.20 0.00 -0.26 0.00 0.00 57.72 56.76 2jfd n HIS 444 Cb 0.07 -0.20 0.40 0.00 1.12 0.00 0.00 29.99 31.38 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 1.09 0.26 -0.12 0.41 0.02 -0.56 -0.69 113.55 113.96 2jfd h SER 445 Ca -0.10 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2jfd h SER 445 Cb 1.46 0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.22 2jfd h SER 445 CO 0.08 -0.18 0.00 0.00 -1.14 0.00 0.00 176.83 175.59 2jfd n GLN 446 N -5.15 1.74 -3.20 3.45 1.13 -1.26 -4.69 117.38 109.40 2jfd n GLN 446 Ca 0.28 -1.10 -0.46 0.00 -1.94 0.00 0.00 57.00 53.78 2jfd n GLN 446 Cb 0.88 -1.43 -0.03 0.00 0.11 0.00 0.00 30.24 29.77 2jfd n GLN 446 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2jfd s ASP 447 N -1.72 6.56 0.17 1.08 3.68 -0.27 -4.92 116.67 121.25 2jfd s ASP 447 Ca 0.34 -2.21 -0.10 0.00 2.13 0.00 0.00 52.55 52.72 2jfd s ASP 447 Cb 0.19 -2.27 0.05 0.00 -1.45 0.00 0.00 42.92 39.44 2jfd s ASP 447 CO 0.29 -0.82 1.62 -0.07 0.13 0.00 0.00 175.17 176.32 2jfd h LEU 448 N 8.91 0.99 -1.15 -1.34 3.38 -1.85 -1.67 115.31 122.58 2jfd h LEU 448 Ca -0.00 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.70 2jfd h LEU 448 Cb 1.05 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 2jfd h LEU 448 CO 0.93 1.06 0.58 0.00 0.09 0.00 0.00 178.44 181.11 2jfd h ALA 449 N 0.97 1.47 -0.12 1.53 0.00 -1.93 0.80 119.26 121.97 2jfd h ALA 449 Ca 0.16 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2jfd h ALA 449 Cb 0.56 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jfd h ALA 449 CO 0.03 0.42 -0.35 0.35 0.00 0.00 0.00 179.25 179.70 2jfd h PHE 450 N 1.07 0.59 -0.57 0.00 3.57 -1.82 -2.55 116.94 117.23 2jfd h PHE 450 Ca 0.36 -0.24 0.01 0.00 3.53 0.00 0.00 57.97 61.64 2jfd h PHE 450 Cb 0.09 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2jfd h PHE 450 CO -0.00 0.97 0.37 -0.07 -2.23 0.00 0.00 178.31 177.35 2jfd h LEU 451 N 0.05 0.63 -0.82 0.59 3.38 -1.02 -1.34 115.31 116.78 2jfd h LEU 451 Ca -0.01 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.09 2jfd h LEU 451 Cb 0.97 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.48 2jfd h LEU 451 CO 0.08 0.45 0.41 -1.28 0.09 0.00 0.00 178.44 178.19 2jfd h SER 452 N 0.75 0.49 0.37 -0.43 0.87 -0.83 -0.20 113.55 114.58 2jfd h SER 452 Ca 0.22 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.85 2jfd h SER 452 Cb -0.06 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2jfd h SER 452 CO -0.06 0.21 -0.18 -0.03 -0.53 0.00 0.00 176.83 176.24 2jfd h MET 453 N 0.60 -0.48 -0.89 2.24 -1.53 -0.94 -2.36 114.93 111.57 2jfd h MET 453 Ca 0.44 0.03 0.18 0.00 -3.44 0.00 0.00 59.70 56.91 2jfd h MET 453 Cb 0.61 0.11 -0.11 0.00 -0.55 0.00 0.00 31.60 31.67 2jfd h MET 453 CO -0.35 -0.23 0.45 -0.07 0.14 0.00 0.00 176.91 176.85 2jfd h LEU 454 N -0.66 0.51 -0.87 3.39 3.38 -0.24 0.69 115.31 121.51 2jfd h LEU 454 Ca -0.05 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2jfd h LEU 454 Cb 0.48 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2jfd h LEU 454 CO 0.08 0.16 0.26 0.78 0.09 0.00 0.00 178.44 179.82 2jfd h ASN 455 N 0.58 1.01 -0.79 -0.43 2.35 -0.83 -2.18 115.58 115.29 2jfd h ASN 455 Ca 0.51 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 56.05 2jfd h ASN 455 Cb 0.82 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 2jfd h ASN 455 CO -0.41 0.92 0.31 0.44 -1.65 0.00 0.00 177.43 177.03 2jfd h ASP 456 N 1.06 1.11 0.76 5.81 3.32 -0.36 -2.93 116.42 125.18 2jfd h ASP 456 Ca 0.24 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 2jfd h ASP 456 Cb 0.24 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2jfd h ASP 456 CO -0.02 0.98 -0.13 0.40 -1.72 0.00 0.00 179.24 178.76 2jfd h ILE 457 N 1.16 0.38 0.00 0.35 5.03 -0.75 -3.06 117.51 120.63 2jfd h ILE 457 Ca 0.26 -0.76 0.00 0.00 -0.12 0.00 0.00 64.86 64.25 2jfd h ILE 457 Cb 0.23 1.55 0.00 0.00 -3.03 0.00 0.00 36.82 35.58 2jfd h ILE 457 CO -0.02 0.13 0.00 0.00 -0.68 0.00 0.00 178.15 177.58 2jfd h ALA 458 N 1.87 1.00 -0.49 1.87 0.00 -1.28 -3.39 119.26 118.84 2jfd h ALA 458 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2jfd h ALA 458 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2jfd h ALA 458 CO 0.02 0.00 1.05 0.00 0.00 0.00 0.00 179.25 180.32 2jfd s ALA 459 N -3.50 1.80 -0.04 0.00 0.00 -1.16 -4.56 121.76 114.31 2jfd s ALA 459 Ca 0.02 -2.11 -0.01 0.00 0.00 0.00 0.00 51.96 49.86 2jfd s ALA 459 Cb 0.09 -4.67 0.03 0.00 0.00 0.00 0.00 23.12 18.58 2jfd s ALA 459 CO 0.45 -5.19 0.06 0.08 0.00 0.00 0.00 175.76 171.16 2jfd s VAL 460 N 10.93 -0.08 0.20 0.00 1.01 -1.26 -5.12 120.40 126.07 2jfd s VAL 460 Ca 0.68 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 2jfd s VAL 460 Cb -0.01 -0.14 -0.16 0.00 0.00 0.00 0.00 36.38 36.07 2jfd s VAL 460 CO 0.12 0.11 0.81 -2.65 0.00 0.00 0.00 175.10 173.49 2jfd n PRO 461 N 4.53 0.55 -0.32 2.72 -0.02 -1.26 -4.58 135.00 136.61 2jfd n PRO 461 Ca -0.20 0.20 0.09 0.00 -2.02 0.00 0.00 63.50 61.56 2jfd n PRO 461 Cb 0.50 -1.42 0.30 0.00 -0.02 0.00 0.00 33.50 32.86 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 1.83 1.65 -0.91 3.55 0.00 -1.92 0.96 119.26 124.41 2jfd h ALA 462 Ca -0.36 0.02 0.17 0.00 0.00 0.00 0.00 54.91 54.74 2jfd h ALA 462 Cb 1.40 -0.17 -0.17 0.00 0.00 0.00 0.00 17.79 18.85 2jfd h ALA 462 CO 0.61 0.10 -0.28 1.15 0.00 0.00 0.00 179.25 180.83 2jfd h THR 463 N 0.87 0.06 0.00 0.00 2.02 -1.92 -2.12 112.91 111.83 2jfd h THR 463 Ca 0.48 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.66 2jfd h THR 463 Cb 0.59 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2jfd h THR 463 CO -0.25 0.00 -0.00 0.00 0.37 0.00 0.00 175.52 175.64 2jfd h ALA 464 N 1.69 -0.01 -3.35 6.16 0.00 -1.47 -3.43 119.26 118.86 2jfd h ALA 464 Ca 0.40 -0.31 -0.63 0.00 0.00 0.00 0.00 54.91 54.37 2jfd h ALA 464 Cb 0.64 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.03 2jfd h ALA 464 CO -0.94 -0.01 -0.68 -1.64 0.00 0.00 0.00 179.25 175.98 2jfd s MET 465 N -2.01 1.61 0.00 0.00 -1.94 0.18 -4.73 119.30 112.41 2jfd s MET 465 Ca -0.12 -2.19 0.22 0.00 -1.71 0.00 0.00 55.69 51.90 2jfd s MET 465 Cb -0.02 -2.97 1.33 0.00 2.01 0.00 0.00 34.83 35.18 2jfd s MET 465 CO 0.43 -1.07 1.78 -0.35 -0.01 0.00 0.00 175.02 175.80 2jfd n PRO 466 N 3.61 0.88 -4.78 2.03 -0.04 -0.82 -4.20 135.00 131.69 2jfd n PRO 466 Ca 0.05 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.18 2jfd n PRO 466 Cb 0.36 -1.40 -0.15 0.00 -0.04 0.00 0.00 33.50 32.27 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 2.77 0.11 0.54 0.40 -0.75 -0.33 117.98 118.72 2jfd s PHE 467 Ca 0.33 -0.78 0.06 0.00 -0.60 0.00 0.00 56.93 55.95 2jfd s PHE 467 Cb 0.15 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 2jfd s PHE 467 CO 0.26 -0.29 -0.15 1.03 0.70 0.00 0.00 175.22 176.76 2jfd s ARG 468 N 0.45 1.00 0.27 0.44 0.52 -0.63 -0.29 118.95 120.71 2jfd s ARG 468 Ca -0.11 -1.16 -0.11 0.00 -0.52 0.00 0.00 55.73 53.84 2jfd s ARG 468 Cb -0.16 -0.99 -0.00 0.00 0.52 0.00 0.00 34.95 34.31 2jfd s ARG 468 CO 0.05 0.21 0.47 0.20 0.02 0.00 0.00 175.30 176.25 2jfd s GLY 469 N -2.18 0.73 0.17 -3.53 0.00 -0.17 -1.28 107.32 101.06 2jfd s GLY 469 Ca 0.06 -1.02 -0.15 0.00 0.00 0.00 0.00 44.72 43.61 2jfd s GLY 469 CO 0.03 -0.72 0.43 -2.52 0.00 0.00 0.00 173.10 170.32 2jfd s TYR 470 N -3.80 0.01 -0.21 1.90 1.13 0.32 -0.93 117.35 115.77 2jfd s TYR 470 Ca 0.24 -0.36 -0.16 0.00 -1.41 0.00 0.00 57.07 55.39 2jfd s TYR 470 Cb -0.00 0.24 0.06 0.00 -1.10 0.00 0.00 41.96 41.15 2jfd s TYR 470 CO 0.11 -0.81 0.54 0.00 -2.51 0.00 0.00 175.55 172.88 2jfd s ALA 471 N -3.88 -1.39 -0.50 9.51 0.00 -0.00 -1.29 121.76 124.19 2jfd s ALA 471 Ca 0.10 1.74 -0.18 0.00 0.00 0.00 0.00 51.96 53.62 2jfd s ALA 471 Cb 0.01 -1.03 0.07 0.00 0.00 0.00 0.00 23.12 22.17 2jfd s ALA 471 CO -0.04 -0.29 0.56 0.08 0.00 0.00 0.00 175.76 176.07 2jfd s VAL 472 N 0.89 4.99 0.01 0.00 1.01 -1.26 -0.49 120.40 125.54 2jfd s VAL 472 Ca -0.05 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 60.91 2jfd s VAL 472 Cb -0.05 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2jfd s VAL 472 CO -0.07 -0.77 0.91 -0.76 0.00 0.00 0.00 175.10 174.41 2jfd s LEU 473 N 2.31 4.38 0.00 3.92 1.43 0.69 -4.71 118.68 126.70 2jfd s LEU 473 Ca 0.11 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 2jfd s LEU 473 Cb -0.22 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2jfd s LEU 473 CO 0.09 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.10 2jfd n GLY 474 N 2.82 1.01 2.46 -3.19 0.00 -1.26 -0.80 105.19 106.23 2jfd n GLY 474 Ca 0.04 -1.44 0.11 0.00 0.00 0.00 0.00 46.02 44.73 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 1.63 -1.82 2.98 -0.02 0.00 -1.26 -4.87 105.19 101.83 2jfd n GLY 475 Ca 0.00 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 2jfd n GLY 475 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jfd s GLU 476 N -1.47 1.05 0.00 1.61 2.02 -1.26 -5.06 118.70 115.59 2jfd s GLU 476 Ca 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.71 2jfd s GLU 476 Cb 0.00 -0.97 0.00 0.00 0.10 0.00 0.00 34.13 33.26 2jfd s GLU 476 CO 0.00 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.75 2jfd n GLY 479 N 3.54 3.54 3.81 -1.39 0.00 -1.26 -5.20 105.19 108.23 2jfd n GLY 479 Ca -0.21 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 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 -5.40 3.94 -0.08 1.61 0.04 -1.26 -4.75 135.00 129.10 2jfd s PRO 480 Ca 0.00 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.25 2jfd s PRO 480 Cb 0.00 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2jfd s PRO 480 CO 0.00 -0.29 -0.19 -1.21 0.04 0.00 0.00 177.00 175.36 2jfd s GLU 481 N -3.45 2.39 0.00 4.56 0.41 -0.41 -4.99 118.70 117.20 2jfd s GLU 481 Ca 0.63 -0.68 0.00 0.00 -0.41 0.00 0.00 54.97 54.52 2jfd s GLU 481 Cb -0.12 -1.88 -0.00 0.00 -1.78 0.00 0.00 34.13 30.35 2jfd s GLU 481 CO 0.21 0.14 -0.02 0.08 -0.49 0.00 0.00 175.26 175.19 2jfd s VAL 482 N 0.40 0.11 0.23 2.63 1.01 -1.26 -0.52 120.40 123.00 2jfd s VAL 482 Ca -0.15 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 2jfd s VAL 482 Cb -0.16 -0.11 0.03 0.00 0.00 0.00 0.00 36.38 36.14 2jfd s VAL 482 CO 0.06 0.00 0.64 0.00 0.00 0.00 0.00 175.10 175.80 2jfd s GLN 483 N -0.12 1.57 0.09 2.72 -2.07 -0.40 -5.00 119.66 116.45 2jfd s GLN 483 Ca -0.00 -0.85 -0.28 0.00 -1.82 0.00 0.00 55.36 52.41 2jfd s GLN 483 Cb -0.01 0.58 -0.06 0.00 -1.09 0.00 0.00 33.01 32.43 2jfd s GLN 483 CO -0.00 -0.70 0.87 -1.14 -1.32 0.00 0.00 175.29 173.00 2jfd s GLN 484 N -3.87 4.62 -0.15 9.60 0.74 -1.26 -1.61 119.66 127.72 2jfd s GLN 484 Ca 0.09 1.28 -0.10 0.00 0.05 0.00 0.00 55.36 56.69 2jfd s GLN 484 Cb -0.03 -3.36 -0.05 0.00 1.10 0.00 0.00 33.01 30.67 2jfd s GLN 484 CO 0.00 0.27 0.17 0.08 -0.55 0.00 0.00 175.29 175.26 2jfd s VAL 485 N -0.11 5.41 0.31 1.34 1.01 0.55 -4.93 120.40 123.99 2jfd s VAL 485 Ca 0.43 0.28 -0.27 0.00 0.00 0.00 0.00 61.98 62.42 2jfd s VAL 485 Cb -0.22 -3.48 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 2jfd s VAL 485 CO 0.27 0.51 0.98 -2.16 0.00 0.00 0.00 175.10 174.70 2jfd s PRO 486 N -0.24 4.57 0.62 2.72 0.04 -1.26 -4.83 135.00 136.62 2jfd s PRO 486 Ca 0.13 1.46 -0.18 0.00 0.04 0.00 0.00 61.00 62.44 2jfd s PRO 486 Cb -0.12 -2.90 -0.02 0.00 0.04 0.00 0.00 34.50 31.50 2jfd s PRO 486 CO 0.02 0.24 1.22 0.00 0.04 0.00 0.00 177.00 178.52 2jfd s ALA 487 N -1.48 2.46 0.00 8.56 0.00 -1.26 -4.88 121.76 125.17 2jfd s ALA 487 Ca 0.49 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2jfd s ALA 487 Cb -0.22 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2jfd s ALA 487 CO 0.28 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 175.14 2jfd n GLY 488 N 0.51 4.48 3.55 0.00 0.00 -1.26 -5.03 105.19 107.44 2jfd n GLY 488 Ca 0.14 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 2jfd n GLY 488 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jfd s GLU 489 N -3.74 3.53 -0.19 1.61 1.03 -1.26 -5.01 118.70 114.66 2jfd s GLU 489 Ca 0.00 -0.05 -0.09 0.00 0.03 0.00 0.00 54.97 54.86 2jfd s GLU 489 Cb 0.00 -3.87 -0.05 0.00 -0.80 0.00 0.00 34.13 29.41 2jfd s GLU 489 CO 0.00 -0.90 0.10 1.03 -1.33 0.00 0.00 175.26 174.17 2jfd s ARG 490 N 2.91 4.10 0.29 -4.83 0.52 -1.26 -5.06 118.95 115.63 2jfd s ARG 490 Ca 0.26 -0.27 -0.28 0.00 -0.52 0.00 0.00 55.73 54.92 2jfd s ARG 490 Cb -0.14 -3.34 -0.09 0.00 0.52 0.00 0.00 34.95 31.90 2jfd s ARG 490 CO 0.18 0.28 0.99 -1.25 0.02 0.00 0.00 175.30 175.51 2jfd s PRO 491 N 0.39 4.65 -0.18 3.54 0.04 -1.26 -4.81 135.00 137.36 2jfd s PRO 491 Ca 0.06 1.51 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 2jfd s PRO 491 Cb -0.12 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 2jfd s PRO 491 CO -0.01 0.30 0.04 -1.17 0.04 0.00 0.00 177.00 176.20 2jfd s LEU 492 N -1.68 3.66 -0.03 -3.56 2.96 -1.26 -0.94 118.68 117.82 2jfd s LEU 492 Ca 0.47 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 54.44 2jfd s LEU 492 Cb -0.24 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 2jfd s LEU 492 CO 0.31 0.15 -0.22 0.26 -1.32 0.00 0.00 176.35 175.53 2jfd s TRP 493 N 0.50 2.04 -0.19 5.38 0.52 0.53 0.25 118.94 127.97 2jfd s TRP 493 Ca 0.02 -0.47 -0.06 0.00 0.02 0.00 0.00 56.10 55.60 2jfd s TRP 493 Cb -0.13 -1.33 -0.04 0.00 -1.15 0.00 0.00 33.47 30.82 2jfd s TRP 493 CO 0.01 -0.10 0.04 -0.06 0.02 0.00 0.00 176.95 176.87 2jfd s PHE 494 N -0.35 3.16 -0.20 -1.98 0.08 -0.40 -1.17 117.98 117.12 2jfd s PHE 494 Ca 0.04 -0.10 -0.03 0.00 0.12 0.00 0.00 56.93 56.96 2jfd s PHE 494 Cb -0.10 -2.07 -0.01 0.00 -0.57 0.00 0.00 43.02 40.27 2jfd s PHE 494 CO 0.01 0.02 -0.06 0.42 -0.10 0.00 0.00 175.22 175.51 2jfd s ILE 495 N 0.57 3.31 -0.37 0.64 -1.09 -0.50 -1.50 121.20 122.26 2jfd s ILE 495 Ca 0.02 -0.52 -0.11 0.00 -2.23 0.00 0.00 60.65 57.80 2jfd s ILE 495 Cb -0.13 -2.48 0.02 0.00 -1.58 0.00 0.00 42.46 38.29 2jfd s ILE 495 CO 0.02 0.45 0.21 0.00 -1.23 0.00 0.00 174.94 174.38 2jfd s SER 497 N 1.56 5.04 0.00 0.00 0.01 -1.15 -0.41 113.70 118.76 2jfd s SER 497 Ca 0.02 1.70 0.00 0.00 1.31 0.00 0.00 55.95 58.98 2jfd s SER 497 Cb -0.19 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2jfd s SER 497 CO 0.07 -1.67 0.00 0.61 0.41 0.00 0.00 173.24 172.66 2jfd n GLY 498 N -1.69 1.26 3.74 3.44 0.00 -1.02 -3.42 105.19 107.48 2jfd n GLY 498 Ca 0.08 -0.02 -0.65 0.00 0.00 0.00 0.00 46.02 45.44 2jfd n GLY 498 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2jfd n MET 499 N 0.00 0.35 -1.80 1.61 3.85 -1.26 -3.56 117.12 116.31 2jfd n MET 499 Ca 0.00 0.13 -0.16 0.00 -1.00 0.00 0.00 57.70 56.67 2jfd n MET 499 Cb 0.00 -1.69 -0.04 0.00 -1.05 0.00 0.00 33.22 30.44 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 4.03 0.84 0.57 3.17 0.00 -1.26 -4.85 105.19 107.68 2jfd n GLY 500 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2jfd n GLY 500 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jfd n THR 501 N -3.14 0.09 -2.94 2.61 -2.24 -1.23 -4.89 114.28 102.53 2jfd n THR 501 Ca -0.17 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.25 2jfd n THR 501 Cb 0.57 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.82 4.38 0.02 -0.78 0.00 -1.26 -3.84 119.66 117.36 2jfd s GLN 502 Ca 0.00 1.08 -0.28 0.00 -0.00 0.00 0.00 55.36 56.16 2jfd s GLN 502 Cb 0.00 -2.77 0.07 0.00 0.00 0.00 0.00 33.01 30.32 2jfd s GLN 502 CO 0.00 0.30 0.68 1.67 0.00 0.00 0.00 175.29 177.94 2jfd s TRP 503 N -1.64 -0.59 -0.53 9.60 1.48 -1.26 -5.07 118.94 120.93 2jfd s TRP 503 Ca 0.48 0.79 -0.27 0.00 -1.06 0.00 0.00 56.10 56.04 2jfd s TRP 503 Cb -0.17 0.47 -0.01 0.00 -1.16 0.00 0.00 33.47 32.60 2jfd s TRP 503 CO 0.21 -0.67 1.74 -0.98 -4.06 0.00 0.00 176.95 173.19 2jfd s ARG 504 N -2.15 2.95 0.00 3.25 3.03 -1.26 -2.55 118.95 122.22 2jfd s ARG 504 Ca -0.06 0.77 0.00 0.00 2.03 0.00 0.00 55.73 58.47 2jfd s ARG 504 Cb -0.00 -4.28 0.00 0.00 -1.03 0.00 0.00 34.95 29.63 2jfd s ARG 504 CO 0.01 -2.34 0.00 0.41 -1.13 0.00 0.00 175.30 172.25 2jfd n GLY 505 N 5.53 1.37 3.54 3.88 0.00 -1.26 -4.96 105.19 113.29 2jfd n GLY 505 Ca 0.19 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.75 0.60 0.00 1.61 0.00 -1.06 -3.20 117.12 114.33 2jfd n MET 506 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 57.70 57.92 2jfd n MET 506 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 33.22 31.46 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 2.01 2.27 0.14 3.03 0.00 -1.26 -4.80 105.19 106.57 2jfd n GLY 507 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 2jfd n GLY 507 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jfd h LEU 508 N 0.00 -0.06 -0.13 0.99 4.07 -1.89 -0.83 115.31 117.47 2jfd h LEU 508 Ca 0.00 0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.03 2jfd h LEU 508 Cb 0.00 0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 2jfd h LEU 508 CO 0.00 0.00 -0.07 -1.54 -1.08 0.00 0.00 178.44 175.75 2jfd n SER 509 N -5.13 -0.13 -0.12 -0.43 3.41 -1.26 -1.46 113.62 108.50 2jfd n SER 509 Ca -0.00 0.43 0.15 0.00 -0.26 0.00 0.00 58.87 59.19 2jfd n SER 509 Cb 0.14 -0.13 0.75 0.00 -0.26 0.00 0.00 64.21 64.71 2jfd n SER 509 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jfd n LEU 510 N -3.13 0.40 0.22 1.04 4.77 -0.61 -3.93 117.00 115.76 2jfd n LEU 510 Ca 0.00 -0.04 0.15 0.00 -0.03 0.00 0.00 56.01 56.09 2jfd n LEU 510 Cb 0.03 -0.09 0.68 0.00 -2.33 0.00 0.00 43.42 41.71 2jfd n LEU 510 CO -0.02 0.07 0.95 -0.03 -1.33 0.00 0.00 177.39 177.03 2jfd h MET 511 N 0.57 0.00 0.00 3.23 4.05 -0.04 -1.96 114.93 120.78 2jfd h MET 511 Ca 0.00 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2jfd h MET 511 Cb 0.23 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2jfd h MET 511 CO 0.00 0.00 -0.15 0.00 0.23 0.00 0.00 176.91 176.99 2jfd h ARG 512 N 0.00 0.00 -6.44 0.39 3.08 -1.73 -3.36 114.38 106.31 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 0.32 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 2jfd h ARG 512 CO 0.00 0.15 0.97 -0.51 -1.07 0.00 0.00 179.97 179.52 2jfd s LEU 513 N -8.34 3.78 0.26 3.04 1.43 -0.74 -4.91 118.68 113.20 2jfd s LEU 513 Ca -0.04 0.99 -0.02 0.00 -1.03 0.00 0.00 54.13 54.03 2jfd s LEU 513 Cb 0.15 -3.54 0.52 0.00 0.03 0.00 0.00 46.19 43.35 2jfd s LEU 513 CO 0.67 -1.16 1.72 0.44 0.23 0.00 0.00 176.35 178.24 2jfd h ASP 514 N 9.45 0.27 -0.87 2.29 3.32 -1.81 0.26 116.42 129.33 2jfd h ASP 514 Ca -0.25 0.12 0.04 0.00 0.02 0.00 0.00 57.03 56.96 2jfd h ASP 514 Cb 1.09 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 2jfd h ASP 514 CO 1.06 0.07 0.57 0.03 -1.72 0.00 0.00 179.24 179.26 2jfd h ARG 515 N 0.43 1.06 0.33 3.56 2.47 -1.91 0.25 114.38 120.56 2jfd h ARG 515 Ca 0.45 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 59.09 2jfd h ARG 515 Cb 0.73 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 2jfd h ARG 515 CO -0.44 0.70 -0.16 0.35 0.56 0.00 0.00 179.97 180.98 2jfd h PHE 516 N 1.09 -0.40 -0.71 3.04 3.04 -0.87 -1.71 116.94 120.41 2jfd h PHE 516 Ca 0.35 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.43 2jfd h PHE 516 Cb 0.03 0.13 -0.13 0.00 2.56 0.00 0.00 35.95 38.54 2jfd h PHE 516 CO -0.00 -0.07 -0.18 -0.09 -2.02 0.00 0.00 178.31 175.95 2jfd h ARG 517 N -0.94 -0.01 -0.70 1.11 2.43 -0.94 -1.71 114.38 113.62 2jfd h ARG 517 Ca -0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2jfd h ARG 517 Cb 0.52 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 2jfd h ARG 517 CO 0.07 -0.00 0.38 -0.44 -1.51 0.00 0.00 179.97 178.47 2jfd h ASP 518 N -0.01 0.86 -0.32 -3.80 3.45 -0.45 -1.49 116.42 114.66 2jfd h ASP 518 Ca 0.34 -0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.72 2jfd h ASP 518 Cb 0.52 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.06 2jfd h ASP 518 CO -0.73 0.69 0.18 -1.28 -1.57 0.00 0.00 179.24 176.53 2jfd h SER 519 N 0.98 0.40 -0.60 6.45 0.87 -0.44 -1.11 113.55 120.10 2jfd h SER 519 Ca 0.25 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 2jfd h SER 519 Cb 0.02 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2jfd h SER 519 CO -0.04 0.37 0.18 0.40 -0.53 0.00 0.00 176.83 177.21 2jfd h ILE 520 N 0.40 1.24 -0.53 2.23 2.04 -0.78 0.91 117.51 123.02 2jfd h ILE 520 Ca 0.11 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 2jfd h ILE 520 Cb 0.06 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2jfd h ILE 520 CO -0.02 0.32 0.13 -0.07 0.00 0.00 0.00 178.15 178.51 2jfd h LEU 521 N 0.85 0.80 -1.83 1.44 3.38 -1.28 0.83 115.31 119.51 2jfd h LEU 521 Ca 0.19 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jfd h LEU 521 Cb 0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2jfd h LEU 521 CO -0.00 0.83 0.19 -0.09 0.09 0.00 0.00 178.44 179.45 2jfd h ARG 522 N 0.74 0.22 -0.19 1.13 2.43 -0.63 -1.22 114.38 116.86 2jfd h ARG 522 Ca 0.17 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.14 2jfd h ARG 522 Cb 0.34 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2jfd h ARG 522 CO 0.00 0.14 -0.58 0.77 -1.51 0.00 0.00 179.97 178.79 2jfd h SER 523 N 0.22 0.84 -0.91 -3.80 0.02 -0.04 -3.13 113.55 106.75 2jfd h SER 523 Ca 0.12 -0.59 0.16 0.00 -0.84 0.00 0.00 61.79 60.63 2jfd h SER 523 Cb 0.18 -0.24 -0.10 0.00 0.14 0.00 0.00 62.40 62.38 2jfd h SER 523 CO -0.02 1.28 0.51 0.44 -1.14 0.00 0.00 176.83 177.90 2jfd h ASP 524 N 0.43 0.65 -0.83 3.07 5.19 0.26 -1.06 116.42 124.12 2jfd h ASP 524 Ca -0.02 0.09 0.15 0.00 -0.62 0.00 0.00 57.03 56.63 2jfd h ASP 524 Cb 1.21 -0.02 -0.10 0.00 0.18 0.00 0.00 39.33 40.60 2jfd h ASP 524 CO 0.12 0.27 0.41 -0.33 -3.12 0.00 0.00 179.24 176.59 2jfd h GLU 525 N 0.70 0.56 -0.18 3.56 3.07 -1.24 0.33 114.58 121.38 2jfd h GLU 525 Ca 0.50 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.29 2jfd h GLU 525 Cb 0.71 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 2jfd h GLU 525 CO -0.36 0.37 -0.04 0.00 -1.40 0.00 0.00 179.01 177.58 2jfd h ALA 526 N 1.56 1.61 -0.30 3.43 0.00 -1.24 -3.02 119.26 121.31 2jfd h ALA 526 Ca 0.46 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 2jfd h ALA 526 Cb 0.67 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2jfd h ALA 526 CO -0.38 0.29 0.00 0.28 0.00 0.00 0.00 179.25 179.44 2jfd n VAL 527 N -4.35 2.38 0.10 0.00 0.31 0.18 -4.61 118.33 112.34 2jfd n VAL 527 Ca -0.00 -2.10 -0.12 0.00 -0.01 0.00 0.00 64.34 62.10 2jfd n VAL 527 Cb 0.20 -0.28 -0.06 0.00 -0.91 0.00 0.00 33.84 32.79 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 1.55 -0.28 -7.25 5.55 1.79 -0.34 -2.53 116.57 115.07 2jfd h LYS 528 Ca 0.07 0.02 -0.47 0.00 -2.18 0.00 0.00 60.65 58.10 2jfd h LYS 528 Cb 1.54 0.06 0.18 0.00 -1.58 0.00 0.00 32.23 32.43 2jfd h LYS 528 CO 0.29 -0.18 0.14 -1.25 -1.08 0.00 0.00 179.45 177.36 2jfd s PRO 529 N -6.14 0.18 0.00 3.15 0.04 -1.26 -2.45 135.00 128.52 2jfd s PRO 529 Ca -0.15 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2jfd s PRO 529 Cb 0.07 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.93 2jfd s PRO 529 CO 0.66 -3.00 0.00 1.19 0.04 0.00 0.00 177.00 175.88 2jfd n PHE 530 N -4.42 0.00 -3.70 0.56 3.72 -1.26 -4.18 117.46 108.18 2jfd n PHE 530 Ca 0.06 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.21 2jfd n PHE 530 Cb 0.55 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 37.95 2jfd n PHE 530 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jfd n GLY 531 N -1.07 -1.06 2.80 1.37 0.00 -1.02 -4.99 105.19 101.21 2jfd n GLY 531 Ca 0.00 0.48 -0.19 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 -5.02 0.93 -0.42 0.99 1.43 -0.95 -5.08 118.68 110.55 2jfd s LEU 532 Ca 0.08 -0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 2jfd s LEU 532 Cb -0.04 -0.28 0.10 0.00 0.03 0.00 0.00 46.19 46.00 2jfd s LEU 532 CO 0.78 -0.13 0.25 -1.59 0.23 0.00 0.00 176.35 175.89 2jfd s LYS 533 N 1.36 2.38 0.28 1.70 0.00 -1.26 -4.23 119.74 119.96 2jfd s LYS 533 Ca -0.05 -1.63 0.01 0.00 0.00 0.00 0.00 55.97 54.30 2jfd s LYS 533 Cb -0.13 -3.72 0.58 0.00 0.00 0.00 0.00 37.83 34.56 2jfd s LYS 533 CO -0.02 -1.03 1.80 0.28 0.00 0.00 0.00 175.35 176.38 2jfd h VAL 534 N 6.20 0.83 0.17 1.79 2.07 -1.91 1.21 116.25 126.62 2jfd h VAL 534 Ca -0.19 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2jfd h VAL 534 Cb 1.07 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2jfd h VAL 534 CO 0.75 0.15 -0.15 0.77 0.02 0.00 0.00 177.57 179.12 2jfd h SER 535 N 0.84 -0.38 -0.97 0.57 4.64 -1.93 0.39 113.55 116.71 2jfd h SER 535 Ca 0.50 0.03 0.12 0.00 -0.47 0.00 0.00 61.79 61.98 2jfd h SER 535 Cb 0.61 0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.75 2jfd h SER 535 CO -0.31 -0.23 0.62 1.56 -0.87 0.00 0.00 176.83 177.60 2jfd h GLN 536 N -0.34 0.90 -0.21 4.77 7.50 -1.11 0.92 115.11 127.55 2jfd h GLN 536 Ca -0.00 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.09 2jfd h GLN 536 Cb 0.31 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 2jfd h GLN 536 CO -0.02 0.60 0.12 -0.07 -1.50 0.00 0.00 178.83 177.95 2jfd h LEU 537 N 0.93 0.26 -0.11 1.46 3.38 0.22 0.18 115.31 121.62 2jfd h LEU 537 Ca 0.48 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.34 2jfd h LEU 537 Cb 0.52 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2jfd h LEU 537 CO -0.24 0.26 -0.07 -0.07 0.09 0.00 0.00 178.44 178.40 2jfd h LEU 538 N 0.23 0.26 -1.49 1.67 3.38 0.11 -2.93 115.31 116.54 2jfd h LEU 538 Ca 0.07 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2jfd h LEU 538 Cb 0.05 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2jfd h LEU 538 CO -0.01 0.64 0.00 -0.07 0.09 0.00 0.00 178.44 179.09 2jfd h LEU 539 N -0.12 0.00 -9.92 1.67 3.38 0.93 -3.41 115.31 107.84 2jfd h LEU 539 Ca 0.02 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.50 2jfd h LEU 539 Cb 0.55 0.00 0.22 0.00 0.09 0.00 0.00 40.66 41.52 2jfd h LEU 539 CO 0.02 0.00 -0.43 -1.54 0.09 0.00 0.00 178.44 176.58 2jfd n SER 540 N -2.52 -1.59 -0.73 -0.43 3.41 0.64 -4.99 113.62 107.40 2jfd n SER 540 Ca -0.00 0.13 0.02 0.00 -0.26 0.00 0.00 58.87 58.76 2jfd n SER 540 Cb 0.14 -1.21 0.02 0.00 -0.26 0.00 0.00 64.21 62.90 2jfd n SER 540 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jfd n THR 541 N -4.23 0.17 -3.41 6.66 -2.24 -1.26 -4.75 114.28 105.22 2jfd n THR 541 Ca 0.05 -0.48 -0.38 0.00 -2.27 0.00 0.00 64.05 60.97 2jfd n THR 541 Cb 0.56 0.57 -0.08 0.00 -2.10 0.00 0.00 70.33 69.27 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 -1.43 6.38 0.49 3.42 3.68 -1.26 -4.97 116.67 122.98 2jfd s ASP 542 Ca 0.12 0.45 0.33 0.00 2.13 0.00 0.00 52.55 55.58 2jfd s ASP 542 Cb 0.13 -2.22 1.57 0.00 -1.45 0.00 0.00 42.92 40.95 2jfd s ASP 542 CO -0.04 -0.08 1.99 -0.33 0.13 0.00 0.00 175.17 176.84 2jfd h GLU 543 N 7.47 0.00 -0.04 4.34 4.39 -2.01 -0.43 114.58 128.31 2jfd h GLU 543 Ca -0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2jfd h GLU 543 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2jfd h GLU 543 CO 0.70 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 177.42 2jfd n SER 544 N -2.77 2.57 -0.32 1.42 3.41 -1.26 -4.58 113.62 112.09 2jfd n SER 544 Ca -0.00 -1.85 0.06 0.00 -0.26 0.00 0.00 58.87 56.81 2jfd n SER 544 Cb 0.18 -0.01 0.21 0.00 -0.26 0.00 0.00 64.21 64.33 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 3.98 0.85 -0.58 6.66 1.03 -1.48 -0.96 112.91 122.42 2jfd h THR 545 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 2jfd h THR 545 Cb 0.85 -0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.91 2jfd h THR 545 CO 0.00 0.15 0.00 0.49 -0.01 0.00 0.00 175.52 176.15 2jfd n PHE 546 N -4.74 0.94 0.21 0.00 0.99 -1.26 -3.78 117.46 109.81 2jfd n PHE 546 Ca 0.17 -0.43 0.07 0.00 -0.00 0.00 0.00 57.45 57.26 2jfd n PHE 546 Cb 0.36 -0.07 0.41 0.00 -1.00 0.00 0.00 39.48 39.18 2jfd n PHE 546 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 2jfd h ASP 547 N 3.45 0.00 -3.31 4.37 3.45 -1.46 -3.41 116.42 119.51 2jfd h ASP 547 Ca 0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 2jfd h ASP 547 Cb 0.94 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.74 2jfd h ASP 547 CO 0.06 0.31 0.64 -0.62 -1.57 0.00 0.00 179.24 178.06 2jfd s ASP 548 N -6.36 6.93 0.13 6.45 -1.08 -1.25 -4.96 116.67 116.53 2jfd s ASP 548 Ca -0.00 2.32 -0.16 0.00 -0.52 0.00 0.00 52.55 54.20 2jfd s ASP 548 Cb 0.11 -2.60 -0.01 0.00 -1.46 0.00 0.00 42.92 38.96 2jfd s ASP 548 CO 0.66 -0.52 1.65 0.16 0.52 0.00 0.00 175.17 177.64 2jfd h ILE 549 N 3.92 1.22 -0.36 4.11 -0.00 -1.91 -2.20 117.51 122.28 2jfd h ILE 549 Ca -0.44 -0.71 -0.09 0.00 -0.00 0.00 0.00 64.86 63.62 2jfd h ILE 549 Cb 1.21 0.92 -0.01 0.00 -0.00 0.00 0.00 36.82 38.95 2jfd h ILE 549 CO 0.79 0.25 -0.12 0.58 -0.00 0.00 0.00 178.15 179.65 2jfd h VAL 550 N 0.50 1.28 0.08 0.16 2.07 -1.91 -0.32 116.25 118.11 2jfd h VAL 550 Ca 0.13 -1.21 0.02 0.00 0.82 0.00 0.00 66.70 66.45 2jfd h VAL 550 Cb 0.26 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2jfd h VAL 550 CO -0.00 0.40 -0.50 0.45 0.02 0.00 0.00 177.57 177.93 2jfd h HIS 551 N 0.51 -1.45 0.44 1.57 3.86 -1.87 -1.37 115.15 116.84 2jfd h HIS 551 Ca 0.09 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2jfd h HIS 551 Cb 0.65 0.62 -0.02 0.00 1.06 0.00 0.00 27.41 29.72 2jfd h HIS 551 CO 0.05 -0.57 -0.45 0.77 0.86 0.00 0.00 177.93 178.59 2jfd h SER 552 N -0.70 -1.23 -0.51 2.45 0.02 -1.29 -1.20 113.55 111.08 2jfd h SER 552 Ca 0.01 0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.15 2jfd h SER 552 Cb 0.73 0.41 -0.10 0.00 0.14 0.00 0.00 62.40 63.58 2jfd h SER 552 CO -0.30 -0.59 -0.39 -0.26 -1.14 0.00 0.00 176.83 174.15 2jfd h PHE 553 N -0.89 -1.13 -0.18 3.45 -1.00 -0.97 0.27 116.94 116.50 2jfd h PHE 553 Ca -0.05 0.07 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 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 -0.24 -0.41 0.11 0.28 -1.61 0.00 0.00 178.31 176.44 2jfd h VAL 554 N -0.24 1.07 -0.16 -0.55 2.07 -1.21 -1.67 116.25 115.57 2jfd h VAL 554 Ca 0.18 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.56 2jfd h VAL 554 Cb 0.56 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2jfd h VAL 554 CO -0.64 0.07 -0.02 0.28 0.02 0.00 0.00 177.57 177.28 2jfd h SER 555 N 0.22 -0.10 -0.05 0.57 0.02 -0.07 0.35 113.55 114.49 2jfd h SER 555 Ca 0.07 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 2jfd h SER 555 Cb 0.01 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 2jfd h SER 555 CO -0.01 -0.03 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.06 2jfd h LEU 556 N 0.03 -1.63 -0.75 5.07 3.38 -0.35 -1.12 115.31 119.94 2jfd h LEU 556 Ca 0.07 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2jfd h LEU 556 Cb 0.10 0.63 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 2jfd h LEU 556 CO -0.14 -0.50 0.44 0.74 0.09 0.00 0.00 178.44 179.07 2jfd h THR 557 N -0.63 1.22 -0.41 0.22 2.02 -0.72 -1.27 112.91 113.34 2jfd h THR 557 Ca 0.03 -0.50 0.07 0.00 0.77 0.00 0.00 66.41 66.77 2jfd h THR 557 Cb 0.70 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 2jfd h THR 557 CO -0.39 0.23 0.04 0.00 0.37 0.00 0.00 175.52 175.78 2jfd h ALA 558 N 1.23 0.41 -0.50 6.16 0.00 0.07 -1.28 119.26 125.35 2jfd h ALA 558 Ca 0.27 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2jfd h ALA 558 Cb -0.01 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jfd h ALA 558 CO -0.05 -0.36 0.11 0.82 0.00 0.00 0.00 179.25 179.78 2jfd h ILE 559 N 0.16 1.24 -0.90 0.00 2.04 -0.38 -0.60 117.51 119.08 2jfd h ILE 559 Ca 0.20 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.23 2jfd h ILE 559 Cb 0.27 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 2jfd h ILE 559 CO -0.30 0.31 0.58 1.56 0.00 0.00 0.00 178.15 180.30 2jfd h GLN 560 N 0.69 1.08 -0.33 2.37 4.20 -0.85 0.10 115.11 122.38 2jfd h GLN 560 Ca 0.15 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2jfd h GLN 560 Cb 0.35 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2jfd h GLN 560 CO 0.00 0.72 0.18 0.82 -0.67 0.00 0.00 178.83 179.88 2jfd h ILE 561 N 1.12 1.14 0.06 2.54 2.04 -0.48 0.19 117.51 124.11 2jfd h ILE 561 Ca 0.36 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2jfd h ILE 561 Cb 0.02 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 2jfd h ILE 561 CO -0.12 0.14 -0.35 1.23 0.00 0.00 0.00 178.15 179.04 2jfd h GLY 562 N 0.42 -0.64 0.09 5.37 0.00 -0.32 0.31 103.07 108.30 2jfd h GLY 562 Ca 0.12 0.42 0.11 0.00 0.00 0.00 0.00 47.33 47.98 2jfd h GLY 562 CO -0.02 -0.25 0.00 1.41 0.00 0.00 0.00 176.54 177.68 2jfd h LEU 563 N -0.54 -0.23 -0.82 3.11 3.38 -0.51 0.11 115.31 119.81 2jfd h LEU 563 Ca 0.04 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.19 2jfd h LEU 563 Cb 0.60 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 2jfd h LEU 563 CO -0.25 -0.09 0.52 0.40 0.09 0.00 0.00 178.44 179.11 2jfd h ILE 564 N 0.12 1.10 -0.43 1.22 5.03 0.54 -1.16 117.51 123.93 2jfd h ILE 564 Ca 0.28 -0.34 -0.02 0.00 -0.12 0.00 0.00 64.86 64.65 2jfd h ILE 564 Cb 0.43 0.02 -0.02 0.00 -3.03 0.00 0.00 36.82 34.22 2jfd h ILE 564 CO -0.46 0.18 0.17 0.44 -0.68 0.00 0.00 178.15 177.81 2jfd h ASP 565 N 0.99 0.58 -0.12 1.72 3.32 0.17 0.18 116.42 123.27 2jfd h ASP 565 Ca 0.33 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.26 2jfd h ASP 565 Cb 0.05 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 2jfd h ASP 565 CO -0.13 0.59 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.76 2jfd h LEU 566 N 0.54 -0.46 -0.64 1.55 3.38 -0.24 -1.14 115.31 118.30 2jfd h LEU 566 Ca 0.14 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.20 2jfd h LEU 566 Cb 0.18 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2jfd h LEU 566 CO -0.01 -0.20 0.43 -0.07 0.09 0.00 0.00 178.44 178.68 2jfd h LEU 567 N -0.19 0.74 -1.39 1.67 3.38 -0.70 -2.42 115.31 116.40 2jfd h LEU 567 Ca 0.09 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2jfd h LEU 567 Cb 0.32 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2jfd h LEU 567 CO -0.23 0.54 -0.31 0.28 0.09 0.00 0.00 178.44 178.81 2jfd h SER 568 N 0.87 0.00 1.15 -0.43 0.02 -0.22 -2.33 113.55 112.62 2jfd h SER 568 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2jfd h SER 568 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2jfd h SER 568 CO -0.05 0.31 0.00 0.00 -1.14 0.00 0.00 176.83 175.95 2jfd n MET 570 N -2.92 1.89 -2.55 0.00 2.00 -0.90 -4.85 117.12 109.78 2jfd n MET 570 Ca 0.02 -1.37 -0.08 0.00 0.00 0.00 0.00 57.70 56.27 2jfd n MET 570 Cb 0.33 -1.34 0.01 0.00 0.00 0.00 0.00 33.22 32.23 2jfd n MET 570 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jfd n GLY 571 N 1.15 0.30 3.49 3.03 0.00 0.13 -4.51 105.19 108.77 2jfd n GLY 571 Ca 0.14 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.63 4.70 -0.28 0.99 1.43 -1.05 -5.02 118.68 116.81 2jfd s LEU 572 Ca 0.11 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 2jfd s LEU 572 Cb -0.05 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 2jfd s LEU 572 CO 0.14 -0.75 0.20 0.00 0.23 0.00 0.00 176.35 176.17 2jfd s ARG 573 N 2.58 3.94 0.33 1.70 3.03 -1.26 -4.42 118.95 124.84 2jfd s ARG 573 Ca 0.18 -0.32 -0.28 0.00 2.03 0.00 0.00 55.73 57.35 2jfd s ARG 573 Cb -0.16 -3.67 -0.09 0.00 -1.03 0.00 0.00 34.95 30.00 2jfd s ARG 573 CO 0.16 -0.19 1.15 -1.25 -1.13 0.00 0.00 175.30 174.04 2jfd s PRO 574 N 1.77 4.40 0.26 3.89 0.04 -1.26 -4.86 135.00 139.24 2jfd s PRO 574 Ca 0.07 1.87 0.19 0.00 0.04 0.00 0.00 61.00 63.16 2jfd s PRO 574 Cb -0.16 -2.98 0.08 0.00 0.04 0.00 0.00 34.50 31.47 2jfd s PRO 574 CO 0.11 -0.02 1.29 -0.44 0.04 0.00 0.00 177.00 177.97 2jfd h ASP 575 N 3.33 0.00 -4.37 6.66 3.45 -0.58 -3.47 116.42 121.44 2jfd h ASP 575 Ca -0.48 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 56.84 2jfd h ASP 575 Cb 1.22 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 39.76 2jfd h ASP 575 CO 0.65 0.31 -0.39 -0.83 -1.57 0.00 0.00 179.24 177.41 2jfd s GLY 576 N -4.45 -0.14 -0.04 2.75 0.00 -1.06 -4.66 107.32 99.72 2jfd s GLY 576 Ca 0.02 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.22 2jfd s GLY 576 CO 0.75 0.32 -0.09 -0.42 0.00 0.00 0.00 173.10 173.66 2jfd s ILE 577 N -0.56 0.81 -0.05 0.90 1.01 -0.42 -1.27 121.20 121.62 2jfd s ILE 577 Ca -0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 2jfd s ILE 577 Cb -0.04 -0.75 0.03 0.00 0.01 0.00 0.00 42.46 41.71 2jfd s ILE 577 CO 0.02 0.27 0.10 -0.69 0.00 0.00 0.00 174.94 174.64 2jfd s VAL 578 N 0.52 -0.04 0.31 2.92 1.01 -0.56 -1.51 120.40 123.04 2jfd s VAL 578 Ca -0.09 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.08 2jfd s VAL 578 Cb -0.12 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 36.03 2jfd s VAL 578 CO 0.01 0.05 -0.01 -0.83 0.00 0.00 0.00 175.10 174.33 2jfd s GLY 579 N 0.80 1.98 -0.13 4.51 0.00 -1.26 -0.99 107.32 112.23 2jfd s GLY 579 Ca -0.06 -2.00 -0.00 0.00 0.00 0.00 0.00 44.72 42.66 2jfd s GLY 579 CO -0.03 -1.86 -0.08 -1.58 0.00 0.00 0.00 173.10 169.54 2jfd s HIS 580 N -3.08 1.67 0.00 1.90 2.46 0.45 -4.63 115.29 114.06 2jfd s HIS 580 Ca 0.32 -0.92 0.00 0.00 0.47 0.00 0.00 55.06 54.94 2jfd s HIS 580 Cb 0.06 -1.32 0.00 0.00 -0.13 0.00 0.00 32.58 31.19 2jfd s HIS 580 CO 0.14 -0.57 0.00 -1.13 -2.47 0.00 0.00 174.74 170.71 2jfd n SER 581 N 4.89 0.00 -0.30 9.88 3.41 -1.26 0.07 113.62 130.31 2jfd n SER 581 Ca -0.13 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.65 2jfd n SER 581 Cb 0.49 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.87 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 0.57 -1.34 1.04 5.85 -1.92 0.54 115.31 120.06 2jfd h LEU 582 Ca 0.00 0.07 0.41 0.00 0.84 0.00 0.00 57.88 59.20 2jfd h LEU 582 Cb 0.00 -0.04 -0.13 0.00 0.37 0.00 0.00 40.66 40.86 2jfd h LEU 582 CO 0.00 0.21 0.79 1.23 -0.34 0.00 0.00 178.44 180.33 2jfd h GLY 583 N 0.56 1.43 1.89 3.75 0.00 -0.39 0.41 103.07 110.73 2jfd h GLY 583 Ca 0.53 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2jfd h GLY 583 CO -0.27 -0.42 0.05 0.83 0.00 0.00 0.00 176.54 176.73 2jfd h GLU 584 N 0.12 0.00 0.46 4.80 5.08 -1.04 -0.57 114.58 123.44 2jfd h GLU 584 Ca 0.80 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.13 2jfd h GLU 584 Cb 2.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.64 2jfd h GLU 584 CO -0.45 0.00 -0.22 0.28 -1.00 0.00 0.00 179.01 177.62 2jfd h VAL 585 N 0.00 0.16 -1.01 3.13 2.07 -0.36 -2.52 116.25 117.73 2jfd h VAL 585 Ca 0.00 -0.56 0.21 0.00 0.82 0.00 0.00 66.70 67.16 2jfd h VAL 585 Cb 0.10 0.24 -0.11 0.00 -1.52 0.00 0.00 31.29 30.00 2jfd h VAL 585 CO 0.00 0.03 0.61 0.00 0.02 0.00 0.00 177.57 178.23 2jfd h ALA 586 N -1.00 1.71 -0.55 1.67 0.00 -1.41 0.28 119.26 119.97 2jfd h ALA 586 Ca -0.06 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2jfd h ALA 586 Cb 0.53 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2jfd h ALA 586 CO 0.10 -0.12 0.23 0.00 0.00 0.00 0.00 179.25 179.46 2jfd h GLY 588 N 0.44 0.54 0.69 0.00 0.00 -0.49 0.42 103.07 104.68 2jfd h GLY 588 Ca 0.26 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.68 2jfd h GLY 588 CO -0.24 -0.14 -0.10 -1.82 0.00 0.00 0.00 176.54 174.25 2jfd h TYR 589 N 0.13 -0.24 -0.59 5.60 3.20 -0.71 0.44 116.97 124.80 2jfd h TYR 589 Ca 0.26 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 2jfd h TYR 589 Cb 0.40 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 2jfd h TYR 589 CO -0.31 -0.15 0.30 0.00 -1.64 0.00 0.00 178.16 176.36 2jfd h ALA 590 N 0.88 1.41 0.00 1.82 0.00 0.01 0.23 119.26 123.61 2jfd h ALA 590 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jfd h ALA 590 Cb 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jfd h ALA 590 CO -0.13 0.47 0.00 -3.47 0.00 0.00 0.00 179.25 176.12 2jfd n ASP 591 N -4.37 0.00 -2.49 0.00 4.64 0.14 -4.90 116.55 109.57 2jfd n ASP 591 Ca 0.05 -0.38 -0.17 0.00 -1.38 0.00 0.00 54.79 52.92 2jfd n ASP 591 Cb 0.12 -0.19 0.04 0.00 -1.04 0.00 0.00 41.12 40.05 2jfd n ASP 591 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2jfd n GLY 592 N 1.02 -0.14 0.12 0.27 0.00 0.07 -4.86 105.19 101.67 2jfd n GLY 592 Ca 0.16 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -7.66 4.33 0.74 0.00 1.43 -1.00 -4.42 118.68 112.09 2jfd s LEU 594 Ca -0.35 0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 2jfd s LEU 594 Cb 0.11 -2.62 0.08 0.00 0.03 0.00 0.00 46.19 43.80 2jfd s LEU 594 CO 0.54 0.25 1.05 -0.94 0.23 0.00 0.00 176.35 177.48 2jfd s SER 595 N -1.97 4.58 0.09 2.29 1.04 -1.26 -4.01 113.70 114.46 2jfd s SER 595 Ca 0.28 0.38 -0.22 0.00 0.48 0.00 0.00 55.95 56.87 2jfd s SER 595 Cb -0.13 -0.93 -0.12 0.00 0.10 0.00 0.00 66.02 64.94 2jfd s SER 595 CO 0.19 -1.75 1.68 -0.61 0.98 0.00 0.00 173.24 173.73 2jfd h GLN 596 N -0.72 0.14 0.28 4.02 4.15 -1.98 0.24 115.11 121.24 2jfd h GLN 596 Ca -0.44 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.97 2jfd h GLN 596 Cb 1.30 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.94 2jfd h GLN 596 CO 0.56 0.17 -0.34 1.49 -1.93 0.00 0.00 178.83 178.79 2jfd h GLU 597 N 0.07 -0.64 0.00 1.69 4.81 -1.95 -0.10 114.58 118.46 2jfd h GLU 597 Ca 0.03 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2jfd h GLU 597 Cb 0.08 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 2jfd h GLU 597 CO -0.01 -0.43 -0.32 0.93 -0.73 0.00 0.00 179.01 178.46 2jfd h GLU 598 N -0.67 -0.45 -0.92 1.92 5.08 -1.88 -2.38 114.58 115.28 2jfd h GLU 598 Ca -0.01 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2jfd h GLU 598 Cb 0.62 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 2jfd h GLU 598 CO -0.10 -0.30 0.59 0.00 -1.00 0.00 0.00 179.01 178.20 2jfd h ALA 599 N 0.26 1.26 -0.53 3.43 0.00 -0.31 -1.87 119.26 121.49 2jfd h ALA 599 Ca 0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2jfd h ALA 599 Cb 0.56 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2jfd h ALA 599 CO -0.26 0.37 0.12 0.28 0.00 0.00 0.00 179.25 179.76 2jfd h VAL 600 N 1.08 1.25 -0.47 0.00 2.07 -0.71 -2.67 116.25 116.80 2jfd h VAL 600 Ca 0.39 -0.89 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 2jfd h VAL 600 Cb 0.13 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2jfd h VAL 600 CO -0.16 0.32 -0.16 -0.07 0.02 0.00 0.00 177.57 177.52 2jfd h LEU 601 N 0.75 0.91 -0.79 2.57 3.38 -1.06 -1.71 115.31 119.37 2jfd h LEU 601 Ca 0.17 -0.31 0.16 0.00 0.09 0.00 0.00 57.88 57.99 2jfd h LEU 601 Cb 0.36 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 2jfd h LEU 601 CO 0.00 1.06 0.30 0.00 0.09 0.00 0.00 178.44 179.89 2jfd h ALA 602 N 1.02 1.13 -0.39 1.53 0.00 -1.17 0.39 119.26 121.77 2jfd h ALA 602 Ca 0.12 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2jfd h ALA 602 Cb 0.69 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2jfd h ALA 602 CO 0.05 -0.25 0.26 0.00 0.00 0.00 0.00 179.25 179.31 2jfd h ALA 603 N 1.59 0.50 0.69 0.00 0.00 -1.09 -2.70 119.26 118.25 2jfd h ALA 603 Ca 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 2jfd h ALA 603 Cb 0.73 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2jfd h ALA 603 CO -0.45 -0.03 -0.40 -0.92 0.00 0.00 0.00 179.25 177.45 2jfd h TYR 604 N 0.53 -1.05 -0.11 0.00 3.20 0.51 -2.42 116.97 117.62 2jfd h TYR 604 Ca 0.14 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2jfd h TYR 604 Cb -0.05 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 2jfd h TYR 604 CO -0.05 -0.61 0.02 -1.49 -1.64 0.00 0.00 178.16 174.39 2jfd h TRP 605 N -1.02 0.20 -0.89 -3.82 4.06 -0.69 0.33 115.95 114.12 2jfd h TRP 605 Ca -0.09 -0.03 0.19 0.00 2.06 0.00 0.00 58.89 61.03 2jfd h TRP 605 Cb 0.81 -0.06 -0.17 0.00 -1.00 0.00 0.00 29.16 28.75 2jfd h TRP 605 CO -0.08 0.39 -0.15 -0.09 -3.56 0.00 0.00 178.44 174.95 2jfd h ARG 606 N -0.04 0.01 -0.32 0.49 2.43 -1.56 0.55 114.38 115.94 2jfd h ARG 606 Ca 0.03 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2jfd h ARG 606 Cb 0.29 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2jfd h ARG 606 CO 0.00 0.01 -0.07 0.78 -1.51 0.00 0.00 179.97 179.19 2jfd h GLY 607 N 0.02 0.66 0.63 2.80 0.00 -0.79 -3.12 103.07 103.27 2jfd h GLY 607 Ca 0.46 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2jfd h GLY 607 CO -0.89 0.49 -0.13 -1.61 0.00 0.00 0.00 176.54 174.41 2jfd h GLN 608 N 0.39 0.22 -0.82 4.80 5.75 0.19 -1.68 115.11 123.96 2jfd h GLN 608 Ca 0.08 -0.14 0.14 0.00 -0.15 0.00 0.00 58.65 58.58 2jfd h GLN 608 Cb 0.55 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 29.03 2jfd h GLN 608 CO 0.03 0.70 0.42 0.00 -2.65 0.00 0.00 178.83 177.33 2jfd h ILE 610 N 0.62 0.00 -0.81 0.00 2.04 -1.47 -2.14 117.51 115.75 2jfd h ILE 610 Ca 0.44 -0.06 0.14 0.00 1.00 0.00 0.00 64.86 66.37 2jfd h ILE 610 Cb 0.60 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.53 2jfd h ILE 610 CO -0.35 0.00 -0.34 0.11 0.00 0.00 0.00 178.15 177.57 2jfd h LYS 611 N -1.26 -0.07 -0.91 2.37 1.57 -0.88 0.12 116.57 117.51 2jfd h LYS 611 Ca -0.12 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2jfd h LYS 611 Cb 0.92 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.19 2jfd h LYS 611 CO 0.20 -0.04 0.59 0.93 -0.57 0.00 0.00 179.45 180.56 2jfd h GLU 612 N -0.07 1.00 -0.80 3.15 5.08 -1.00 -3.16 114.58 118.78 2jfd h GLU 612 Ca 0.31 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.72 2jfd h GLU 612 Cb 0.58 -0.23 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 2jfd h GLU 612 CO -0.84 0.66 0.43 0.00 -1.00 0.00 0.00 179.01 178.25 2jfd h ALA 613 N 1.51 1.16 -5.99 3.43 0.00 -0.05 -3.47 119.26 115.85 2jfd h ALA 613 Ca 0.39 0.06 -0.29 0.00 0.00 0.00 0.00 54.91 55.07 2jfd h ALA 613 Cb 0.20 -0.07 0.06 0.00 0.00 0.00 0.00 17.79 17.98 2jfd h ALA 613 CO -0.15 -0.01 -0.68 0.72 0.00 0.00 0.00 179.25 179.14 2jfd n HIS 614 N -4.82 -2.32 -2.01 0.00 -0.00 -1.20 -4.99 115.22 99.87 2jfd n HIS 614 Ca 0.14 0.78 -0.29 0.00 -0.00 0.00 0.00 57.72 58.35 2jfd n HIS 614 Cb 0.33 -3.58 0.05 0.00 -0.00 0.00 0.00 29.99 26.80 2jfd n HIS 614 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2jfd s LEU 615 N -5.30 2.87 1.20 2.41 2.01 -1.26 -5.07 118.68 115.54 2jfd s LEU 615 Ca 0.23 0.93 -0.16 0.00 0.01 0.00 0.00 54.13 55.14 2jfd s LEU 615 Cb -0.07 -3.66 0.24 0.00 0.01 0.00 0.00 46.19 42.72 2jfd s LEU 615 CO 0.82 -1.43 0.63 -2.65 1.01 0.00 0.00 176.35 174.74 2jfd n PRO 616 N -2.99 -2.53 -2.36 1.29 -0.02 -1.26 -4.92 135.00 122.22 2jfd n PRO 616 Ca 0.07 -0.72 -0.43 0.00 -2.02 0.00 0.00 63.50 60.40 2jfd n PRO 616 Cb 0.58 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 32.08 2jfd n PRO 616 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jfd s PRO 617 N -4.09 4.01 0.23 0.52 0.04 -1.26 -4.95 135.00 129.50 2jfd s PRO 617 Ca 0.63 1.47 0.03 0.00 0.04 0.00 0.00 61.00 63.17 2jfd s PRO 617 Cb -0.19 -3.87 0.03 0.00 0.04 0.00 0.00 34.50 30.51 2jfd s PRO 617 CO 0.64 -1.00 0.24 0.41 0.04 0.00 0.00 177.00 177.33 2jfd n GLY 618 N 4.13 2.48 3.55 0.56 0.00 0.42 -0.65 105.19 115.69 2jfd n GLY 618 Ca 0.15 -2.20 -0.07 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.31 -1.93 0.10 4.61 0.00 0.13 -3.46 121.76 118.91 2jfd s ALA 619 Ca 0.18 1.34 -0.01 0.00 0.00 0.00 0.00 51.96 53.48 2jfd s ALA 619 Cb -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2jfd s ALA 619 CO 0.12 -0.56 0.01 -1.64 0.00 0.00 0.00 175.76 173.69 2jfd s MET 620 N -2.41 0.82 -0.25 0.00 -1.94 -1.25 -1.75 119.30 112.53 2jfd s MET 620 Ca 0.05 -1.36 -0.15 0.00 -1.71 0.00 0.00 55.69 52.52 2jfd s MET 620 Cb -0.01 0.15 0.07 0.00 2.01 0.00 0.00 34.83 37.06 2jfd s MET 620 CO -0.05 -0.18 0.62 0.00 -0.01 0.00 0.00 175.02 175.40 2jfd s ALA 621 N -3.94 -1.68 0.18 3.03 0.00 -0.85 0.22 121.76 118.73 2jfd s ALA 621 Ca 0.17 2.21 -0.30 0.00 0.00 0.00 0.00 51.96 54.04 2jfd s ALA 621 Cb 0.07 -1.31 -0.08 0.00 0.00 0.00 0.00 23.12 21.81 2jfd s ALA 621 CO -0.03 -0.35 1.09 0.00 0.00 0.00 0.00 175.76 176.47 2jfd s ALA 622 N 1.56 3.37 -0.04 0.00 0.00 -0.30 -0.64 121.76 125.71 2jfd s ALA 622 Ca -0.10 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 52.64 2jfd s ALA 622 Cb -0.06 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.74 2jfd s ALA 622 CO -0.18 -0.18 0.09 0.08 0.00 0.00 0.00 175.76 175.57 2jfd s VAL 623 N -0.32 -0.01 -0.23 0.00 1.01 0.45 -1.83 120.40 119.46 2jfd s VAL 623 Ca 0.49 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.52 2jfd s VAL 623 Cb -0.29 -0.14 0.19 0.00 0.00 0.00 0.00 36.38 36.14 2jfd s VAL 623 CO 0.35 0.02 1.83 0.61 0.00 0.00 0.00 175.10 177.91 2jfd n GLY 624 N 3.37 3.54 3.90 4.51 0.00 -1.18 -0.95 105.19 118.38 2jfd n GLY 624 Ca -0.16 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.91 2jfd n GLY 624 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jfd s LEU 625 N -1.39 3.73 0.68 0.99 2.34 -1.26 -4.80 118.68 118.98 2jfd s LEU 625 Ca 0.24 -0.39 -0.11 0.00 0.06 0.00 0.00 54.13 53.93 2jfd s LEU 625 Cb 0.19 -2.40 -0.00 0.00 -0.56 0.00 0.00 46.19 43.42 2jfd s LEU 625 CO 0.01 -0.39 1.06 -0.94 -1.06 0.00 0.00 176.35 175.03 2jfd s SER 626 N -4.06 5.56 0.20 1.48 1.04 -1.26 -3.75 113.70 112.91 2jfd s SER 626 Ca 0.42 1.50 -0.10 0.00 0.48 0.00 0.00 55.95 58.25 2jfd s SER 626 Cb -0.07 -2.41 0.25 0.00 0.10 0.00 0.00 66.02 63.89 2jfd s SER 626 CO 0.28 -1.31 1.74 -0.25 0.98 0.00 0.00 173.24 174.68 2jfd h TRP 627 N -0.63 0.34 -0.04 5.02 -0.00 -1.89 0.63 115.95 119.38 2jfd h TRP 627 Ca -0.44 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.47 2jfd h TRP 627 Cb 1.21 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.16 30.30 2jfd h TRP 627 CO 0.61 0.08 0.00 0.93 -0.00 0.00 0.00 178.44 180.07 2jfd h GLU 628 N 0.37 0.07 -0.88 2.65 5.08 -1.95 0.11 114.58 120.04 2jfd h GLU 628 Ca 0.29 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.73 2jfd h GLU 628 Cb 0.36 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 2jfd h GLU 628 CO -0.30 0.32 0.52 0.93 -1.00 0.00 0.00 179.01 179.48 2jfd h GLU 629 N -0.19 0.84 0.14 2.33 5.08 -1.81 -0.09 114.58 120.87 2jfd h GLU 629 Ca 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2jfd h GLU 629 Cb 0.29 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2jfd h GLU 629 CO 0.00 0.55 -0.07 0.00 -1.00 0.00 0.00 179.01 178.50 2jfd h LYS 631 N -0.28 0.01 0.34 0.00 -0.00 -0.00 -2.17 116.57 114.46 2jfd h LYS 631 Ca -0.02 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.61 2jfd h LYS 631 Cb 0.22 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.46 2jfd h LYS 631 CO 0.03 0.01 -0.16 -0.56 -0.00 0.00 0.00 179.45 178.76 2jfd h GLN 632 N 0.01 -0.44 0.00 0.07 -0.00 -0.86 -3.28 115.11 110.61 2jfd h GLN 632 Ca 0.26 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.94 2jfd h GLN 632 Cb 0.40 0.10 0.00 0.00 -0.00 0.00 0.00 27.48 27.98 2jfd h GLN 632 CO -0.55 -0.13 0.00 0.54 -0.00 0.00 0.00 178.83 178.69 2jfd n ARG 633 N -5.15 0.99 -2.41 0.06 1.74 0.54 -4.86 116.66 107.57 2jfd n ARG 633 Ca -0.10 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.56 2jfd n ARG 633 Cb 0.27 -1.07 -0.02 0.00 -1.02 0.00 0.00 32.46 30.62 2jfd n ARG 633 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jfd s PRO 635 N 2.83 0.65 0.24 0.00 0.04 -1.26 -4.94 135.00 132.56 2jfd s PRO 635 Ca 0.56 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 2jfd s PRO 635 Cb -0.24 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 2jfd s PRO 635 CO 0.19 -2.72 1.29 -2.14 0.04 0.00 0.00 177.00 173.66 2jfd s PRO 636 N -4.73 4.41 0.00 0.56 0.02 -1.26 -2.59 135.00 131.41 2jfd s PRO 636 Ca 0.66 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.74 2jfd s PRO 636 Cb -0.21 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.14 2jfd s PRO 636 CO 0.59 -0.19 0.00 0.41 -0.33 0.00 0.00 177.00 177.48 2jfd n GLY 637 N 1.87 2.26 3.41 0.52 0.00 -1.26 -4.89 105.19 107.11 2jfd n GLY 637 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2jfd n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfd s VAL 638 N -2.28 3.84 0.19 1.61 1.01 -1.07 -4.17 120.40 119.52 2jfd s VAL 638 Ca 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.73 2jfd s VAL 638 Cb 0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2jfd s VAL 638 CO 0.00 0.42 -0.20 0.54 0.00 0.00 0.00 175.10 175.86 2jfd s VAL 639 N 1.19 2.01 0.17 2.92 0.11 -0.32 -4.50 120.40 121.98 2jfd s VAL 639 Ca 0.03 -2.01 -0.30 0.00 -2.93 0.00 0.00 61.98 56.76 2jfd s VAL 639 Cb -0.15 -1.97 -0.08 0.00 -1.53 0.00 0.00 36.38 32.65 2jfd s VAL 639 CO 0.01 -0.30 1.32 -2.84 -3.33 0.00 0.00 175.10 169.97 2jfd s PRO 640 N -2.89 4.37 -0.03 1.54 0.02 -1.26 0.24 135.00 136.98 2jfd s PRO 640 Ca 0.19 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.24 2jfd s PRO 640 Cb -0.06 -3.22 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 2jfd s PRO 640 CO 0.08 -0.30 -0.04 0.00 -0.33 0.00 0.00 177.00 176.41 2jfd n ALA 641 N 3.08 2.24 -3.77 -1.55 0.00 0.95 -4.85 120.51 116.62 2jfd n ALA 641 Ca 0.08 -0.14 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 2jfd n ALA 641 Cb 0.43 0.43 -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 1.24 3.45 -0.06 0.00 2.46 0.31 -1.43 115.29 121.26 2jfd s HIS 643 Ca -0.02 -1.96 -0.20 0.00 0.47 0.00 0.00 55.06 53.35 2jfd s HIS 643 Cb -0.14 -4.26 -0.15 0.00 -0.13 0.00 0.00 32.58 27.90 2jfd s HIS 643 CO -0.04 -1.38 0.80 -0.91 -2.47 0.00 0.00 174.74 170.73 2jfd h ASN 644 N 7.61 -0.17 -3.85 9.88 2.35 -1.78 0.34 115.58 129.96 2jfd h ASN 644 Ca 0.26 -0.36 -0.32 0.00 -0.55 0.00 0.00 56.30 55.33 2jfd h ASN 644 Cb 0.92 0.04 -0.08 0.00 0.05 0.00 0.00 38.32 39.26 2jfd h ASN 644 CO 1.18 0.40 -0.28 -1.54 -1.65 0.00 0.00 177.43 175.54 2jfd n SER 645 N -4.90 0.43 0.06 5.81 3.41 -0.74 -3.75 113.62 113.94 2jfd n SER 645 Ca -0.07 -2.33 -0.01 0.00 -0.26 0.00 0.00 58.87 56.21 2jfd n SER 645 Cb 0.26 0.80 0.29 0.00 -0.26 0.00 0.00 64.21 65.30 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 0.36 -0.10 4.33 -0.00 -1.95 -3.22 116.57 115.99 2jfd h LYS 646 Ca -0.17 -0.11 -0.12 0.00 -0.00 0.00 0.00 60.65 60.25 2jfd h LYS 646 Cb 0.73 -0.03 -0.18 0.00 -0.00 0.00 0.00 32.23 32.75 2jfd h LYS 646 CO 0.26 0.54 -0.72 -3.47 -0.00 0.00 0.00 179.45 176.07 2jfd n ASP 647 N -4.18 1.84 -3.74 7.07 4.64 -1.26 -4.35 116.55 116.57 2jfd n ASP 647 Ca -0.00 -3.25 -0.13 0.00 -1.38 0.00 0.00 54.79 50.03 2jfd n ASP 647 Cb 0.34 -0.44 -0.14 0.00 -1.04 0.00 0.00 41.12 39.84 2jfd n ASP 647 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 2jfd s THR 648 N -2.49 -0.05 -0.01 5.18 2.01 -1.22 -4.02 115.64 115.05 2jfd s THR 648 Ca 0.38 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.55 2jfd s THR 648 Cb 0.38 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.57 2jfd s THR 648 CO -0.09 0.07 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.19 2jfd s VAL 649 N 1.23 0.29 -0.21 3.82 1.01 -0.13 -1.80 120.40 124.62 2jfd s VAL 649 Ca -0.09 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 2jfd s VAL 649 Cb -0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 2jfd s VAL 649 CO -0.07 0.09 0.52 -0.89 0.00 0.00 0.00 175.10 174.75 2jfd s THR 650 N 0.05 5.10 0.55 3.92 2.01 -0.51 -0.41 115.64 126.34 2jfd s THR 650 Ca -0.00 0.96 0.01 0.00 0.31 0.00 0.00 61.69 62.96 2jfd s THR 650 Cb -0.03 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.67 2jfd s THR 650 CO -0.00 0.16 0.78 0.27 -0.69 0.00 0.00 174.62 175.14 2jfd s ILE 651 N 1.73 2.80 -0.28 1.82 -4.36 0.19 -0.03 121.20 123.06 2jfd s ILE 651 Ca 0.24 -0.62 -0.13 0.00 -0.26 0.00 0.00 60.65 59.88 2jfd s ILE 651 Cb -0.15 -3.06 0.10 0.00 1.25 0.00 0.00 42.46 40.60 2jfd s ILE 651 CO 0.10 -0.04 0.65 -0.55 0.24 0.00 0.00 174.94 175.34 2jfd s SER 652 N -4.41 -1.00 0.00 4.36 0.15 0.14 -2.00 113.70 110.94 2jfd s SER 652 Ca 0.56 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.72 2jfd s SER 652 Cb -0.10 1.76 0.00 0.00 -1.71 0.00 0.00 66.02 65.97 2jfd s SER 652 CO 0.39 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2jfd n GLY 653 N 4.84 0.54 3.75 9.45 0.00 -0.72 -1.17 105.19 121.87 2jfd n GLY 653 Ca -0.16 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 2jfd n GLY 653 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jfd s PRO 654 N -1.43 2.04 0.09 1.61 0.04 -1.26 0.19 135.00 136.27 2jfd s PRO 654 Ca 0.00 1.28 -0.33 0.00 0.04 0.00 0.00 61.00 61.99 2jfd s PRO 654 Cb 0.00 -1.86 -0.15 0.00 0.04 0.00 0.00 34.50 32.53 2jfd s PRO 654 CO 0.00 -1.83 1.52 -0.56 0.04 0.00 0.00 177.00 176.17 2jfd h GLN 655 N -1.18 -0.77 -0.04 4.56 -0.00 -1.08 -1.78 115.11 114.82 2jfd h GLN 655 Ca -0.44 0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.27 2jfd h GLN 655 Cb 1.24 0.18 -0.01 0.00 -0.00 0.00 0.00 27.48 28.88 2jfd h GLN 655 CO 0.49 -0.52 -0.11 0.00 -0.00 0.00 0.00 178.83 178.70 2jfd h ALA 656 N -0.76 -0.50 0.00 0.06 0.00 -1.93 0.22 119.26 116.36 2jfd h ALA 656 Ca -0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2jfd h ALA 656 Cb 0.75 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2jfd h ALA 656 CO -0.18 -0.54 -0.46 -1.00 0.00 0.00 0.00 179.25 177.06 2jfd h PRO 657 N -0.11 0.00 0.22 0.00 0.13 -1.90 -2.65 132.00 127.69 2jfd h PRO 657 Ca 0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 2jfd h PRO 657 Cb 0.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.26 2jfd h PRO 657 CO -0.09 0.46 -0.11 0.28 -0.23 0.00 0.00 178.00 178.31 2jfd h VAL 658 N 0.00 0.00 -0.33 1.56 2.07 -1.04 -1.37 116.25 117.15 2jfd h VAL 658 Ca -0.00 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2jfd h VAL 658 Cb 0.88 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2jfd h VAL 658 CO 0.06 0.00 -0.19 0.49 0.02 0.00 0.00 177.57 177.95 2jfd n PHE 659 N -2.97 -0.14 0.13 1.57 3.01 0.76 -0.40 117.46 119.42 2jfd n PHE 659 Ca -0.04 0.41 -0.14 0.00 1.01 0.00 0.00 57.45 58.69 2jfd n PHE 659 Cb 0.12 -0.45 -0.08 0.00 -0.01 0.00 0.00 39.48 39.06 2jfd n PHE 659 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2jfd h GLU 660 N 0.00 -0.26 -1.00 -1.08 3.07 -1.57 -2.80 114.58 110.93 2jfd h GLU 660 Ca 0.05 0.02 0.17 0.00 -0.50 0.00 0.00 59.36 59.10 2jfd h GLU 660 Cb 0.13 0.06 -0.10 0.00 -0.84 0.00 0.00 28.75 28.00 2jfd h GLU 660 CO -0.31 -0.12 0.62 0.35 -1.40 0.00 0.00 179.01 178.15 2jfd h PHE 661 N -0.35 1.08 -0.43 4.33 3.57 0.45 0.67 116.94 126.27 2jfd h PHE 661 Ca -0.03 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2jfd h PHE 661 Cb 0.27 -0.33 -0.09 0.00 2.79 0.00 0.00 35.95 38.58 2jfd h PHE 661 CO -0.04 0.29 -0.22 0.28 -2.23 0.00 0.00 178.31 176.39 2jfd h VAL 662 N 0.82 0.37 -0.94 1.41 2.07 -0.47 -1.28 116.25 118.23 2jfd h VAL 662 Ca 0.56 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.14 2jfd h VAL 662 Cb 0.80 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 2jfd h VAL 662 CO -0.35 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 177.52 2jfd h GLU 663 N -0.14 1.05 -0.10 1.57 3.07 0.48 0.42 114.58 120.94 2jfd h GLU 663 Ca 0.20 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 2jfd h GLU 663 Cb 0.45 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 2jfd h GLU 663 CO -0.51 0.70 -0.20 0.37 -1.40 0.00 0.00 179.01 177.97 2jfd h GLN 664 N 1.09 0.17 0.04 2.33 4.15 -0.06 0.21 115.11 123.03 2jfd h GLN 664 Ca 0.40 -0.05 -0.38 0.00 0.77 0.00 0.00 58.65 59.40 2jfd h GLN 664 Cb 0.17 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.79 2jfd h GLN 664 CO -0.15 0.37 -2.30 1.28 -1.93 0.00 0.00 178.83 176.10 2jfd n LEU 665 N -4.23 2.70 -0.28 -2.39 4.77 -1.06 -3.61 117.00 112.90 2jfd n LEU 665 Ca -0.01 -0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.93 2jfd n LEU 665 Cb 0.30 -0.90 0.03 0.00 -2.33 0.00 0.00 43.42 40.52 2jfd n LEU 665 CO 0.38 0.88 0.62 0.03 -1.33 0.00 0.00 177.39 177.97 2jfd h ARG 666 N 0.02 -0.08 -2.56 3.23 2.47 -0.86 0.44 114.38 117.04 2jfd h ARG 666 Ca -0.52 0.01 -0.60 0.00 -1.26 0.00 0.00 59.98 57.60 2jfd h ARG 666 Cb 1.96 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 30.23 2jfd h ARG 666 CO -0.02 -0.06 2.18 1.63 0.56 0.00 0.00 179.97 184.26 2jfd n LYS 667 N -5.46 3.62 0.07 0.04 4.76 0.71 -4.38 118.16 117.52 2jfd n LYS 667 Ca 0.07 -2.55 0.00 0.00 -2.87 0.00 0.00 58.31 52.96 2jfd n LYS 667 Cb 0.38 -2.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.05 2jfd n LYS 667 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2jfd n GLU 668 N 2.29 0.00 0.00 1.97 -0.00 0.15 -4.83 120.64 120.22 2jfd n GLU 668 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.79 2jfd n GLU 668 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.82 2jfd n GLU 668 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2jfd n VAL 670 N -2.76 0.00 -1.92 3.84 0.31 -0.98 -5.02 118.33 111.81 2jfd n VAL 670 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 2jfd n VAL 670 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 2jfd n VAL 670 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2jfd s PHE 671 N 0.00 2.90 -0.36 3.52 5.36 -1.26 -3.46 117.98 124.68 2jfd s PHE 671 Ca 0.00 0.96 0.05 0.00 -0.96 0.00 0.00 56.93 56.99 2jfd s PHE 671 Cb 0.00 -3.91 0.19 0.00 -0.34 0.00 0.00 43.02 38.95 2jfd s PHE 671 CO 0.00 -2.98 0.67 0.00 -1.46 0.00 0.00 175.22 171.45 2jfd s ALA 672 N -0.12 -2.63 0.01 11.12 0.00 -1.26 -3.08 121.76 125.80 2jfd s ALA 672 Ca 0.60 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 53.11 2jfd s ALA 672 Cb -0.44 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2jfd s ALA 672 CO 0.46 -2.12 0.27 0.15 0.00 0.00 0.00 175.76 174.52 2jfd s LYS 673 N 2.20 3.58 -0.24 0.00 -0.14 -0.76 -4.87 119.74 119.51 2jfd s LYS 673 Ca 0.15 -0.08 -0.18 0.00 -1.36 0.00 0.00 55.97 54.49 2jfd s LYS 673 Cb -0.05 -3.08 -0.03 0.00 -1.68 0.00 0.00 37.83 33.00 2jfd s LYS 673 CO -0.14 0.65 0.54 -1.21 -0.76 0.00 0.00 175.35 174.42 2jfd s GLU 674 N -1.77 4.11 -0.19 1.68 8.01 -1.26 -1.15 118.70 128.13 2jfd s GLU 674 Ca 0.28 0.39 -0.29 0.00 0.01 0.00 0.00 54.97 55.36 2jfd s GLU 674 Cb -0.13 -3.62 -0.00 0.00 -4.31 0.00 0.00 34.13 26.06 2jfd s GLU 674 CO 0.16 -0.30 1.17 0.08 0.01 0.00 0.00 175.26 176.38 2jfd s VAL 675 N 2.14 4.44 -0.46 2.63 1.01 0.60 -4.90 120.40 125.87 2jfd s VAL 675 Ca 0.23 1.74 -0.27 0.00 0.00 0.00 0.00 61.98 63.68 2jfd s VAL 675 Cb -0.16 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 2jfd s VAL 675 CO 0.09 -0.15 2.25 0.00 0.00 0.00 0.00 175.10 177.29 2jfd s ARG 676 N 3.35 2.41 -0.30 2.72 3.03 -1.26 -3.78 118.95 125.12 2jfd s ARG 676 Ca 0.51 1.37 0.09 0.00 2.03 0.00 0.00 55.73 59.73 2jfd s ARG 676 Cb -0.19 -4.50 0.54 0.00 -1.03 0.00 0.00 34.95 29.77 2jfd s ARG 676 CO 0.11 -2.93 1.53 0.25 -1.13 0.00 0.00 175.30 173.14 2jfd n THR 677 N 7.80 2.62 -3.98 4.99 -2.24 -1.26 -4.88 114.28 117.32 2jfd n THR 677 Ca 0.32 -2.45 -0.31 0.00 -2.27 0.00 0.00 64.05 59.34 2jfd n THR 677 Cb 0.52 -0.33 0.01 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.99 -0.47 3.78 3.38 0.00 -1.26 -1.71 105.19 107.92 2jfd n GLY 678 Ca 0.35 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.63 -0.48 3.20 -0.02 0.00 -1.26 -4.94 105.19 100.05 2jfd n GLY 679 Ca 0.03 0.20 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.41 1.49 -0.73 1.61 -2.45 -0.69 -0.44 119.30 111.69 2jfd s MET 680 Ca 0.54 -0.73 -0.07 0.00 -1.25 0.00 0.00 55.69 54.18 2jfd s MET 680 Cb -0.26 -1.48 0.19 0.00 1.25 0.00 0.00 34.83 34.54 2jfd s MET 680 CO 0.80 0.40 0.60 0.00 1.05 0.00 0.00 175.02 177.87 2jfd s ALA 681 N -0.52 3.84 0.64 4.11 0.00 -1.26 -3.30 121.76 125.28 2jfd s ALA 681 Ca 0.07 -3.34 -0.11 0.00 0.00 0.00 0.00 51.96 48.58 2jfd s ALA 681 Cb -0.08 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 2jfd s ALA 681 CO -0.00 -2.18 1.05 -0.06 0.00 0.00 0.00 175.76 174.56 2jfd s PHE 682 N -0.09 3.53 -1.48 0.00 0.40 -1.26 -3.97 117.98 115.10 2jfd s PHE 682 Ca 0.18 1.25 -0.06 0.00 -0.60 0.00 0.00 56.93 57.70 2jfd s PHE 682 Cb -0.15 -2.80 0.05 0.00 0.51 0.00 0.00 43.02 40.62 2jfd s PHE 682 CO -0.06 -0.84 0.61 0.72 0.70 0.00 0.00 175.22 176.35 2jfd n HIS 683 N -2.83 -1.78 -4.15 0.36 8.25 -1.03 -4.87 115.22 109.16 2jfd n HIS 683 Ca 0.06 0.79 -0.13 0.00 -0.26 0.00 0.00 57.72 58.18 2jfd n HIS 683 Cb 0.55 -3.66 -0.07 0.00 1.12 0.00 0.00 29.99 27.92 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 -3.98 0.55 0.45 0.41 1.04 -1.19 -4.36 113.70 106.61 2jfd s SER 684 Ca 0.26 -1.38 0.18 0.00 0.48 0.00 0.00 55.95 55.49 2jfd s SER 684 Cb -0.14 0.52 1.12 0.00 0.10 0.00 0.00 66.02 67.62 2jfd s SER 684 CO 0.88 -1.05 1.92 0.10 0.98 0.00 0.00 173.24 176.08 2jfd h TYR 685 N 2.34 0.40 -0.99 5.02 -0.00 -1.88 -1.27 116.97 120.59 2jfd h TYR 685 Ca -0.30 0.01 0.31 0.00 -0.00 0.00 0.00 58.73 58.75 2jfd h TYR 685 Cb 1.24 -0.13 -0.15 0.00 -0.00 0.00 0.00 36.73 37.70 2jfd h TYR 685 CO 0.86 0.15 0.53 0.74 -0.00 0.00 0.00 178.16 180.44 2jfd h PHE 686 N 0.34 0.86 0.00 0.10 -1.00 -1.97 0.52 116.94 115.78 2jfd h PHE 686 Ca 0.36 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.18 2jfd h PHE 686 Cb 0.93 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.28 2jfd h PHE 686 CO -0.00 -0.18 0.00 0.52 -1.61 0.00 0.00 178.31 177.04 2jfd h MET 687 N 0.32 0.00 -0.70 1.51 2.86 -1.44 -3.17 114.93 114.31 2jfd h MET 687 Ca 0.71 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 58.48 2jfd h MET 687 Cb 1.59 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.21 2jfd h MET 687 CO -0.61 0.00 0.47 1.49 1.06 0.00 0.00 176.91 179.32 2jfd h GLU 688 N 0.00 0.38 -0.70 1.72 4.57 -0.06 0.26 114.58 120.75 2jfd h GLU 688 Ca 0.00 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 2jfd h GLU 688 Cb 0.57 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.02 2jfd h GLU 688 CO 0.00 0.25 0.47 0.00 -1.18 0.00 0.00 179.01 178.55 2jfd h ALA 689 N 1.66 1.97 -0.00 2.92 0.00 -1.68 -2.41 119.26 121.73 2jfd h ALA 689 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2jfd h ALA 689 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2jfd h ALA 689 CO -0.10 -0.14 -0.42 -0.89 0.00 0.00 0.00 179.25 177.71 2jfd n ILE 690 N -4.48 0.00 0.36 0.00 5.41 0.89 -4.39 119.36 117.14 2jfd n ILE 690 Ca 0.12 -0.02 -0.18 0.00 1.00 0.00 0.00 62.75 63.68 2jfd n ILE 690 Cb 0.41 0.20 -0.09 0.00 -0.71 0.00 0.00 39.64 39.45 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 3.11 -0.88 -0.54 -1.39 0.00 -1.29 -2.28 119.26 115.98 2jfd h ALA 691 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2jfd h ALA 691 Cb 0.50 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 2jfd h ALA 691 CO 0.00 -0.99 0.29 -1.35 0.00 0.00 0.00 179.25 177.20 2jfd h PRO 692 N -0.89 0.54 -0.16 0.00 0.11 -1.77 0.44 132.00 130.26 2jfd h PRO 692 Ca -0.09 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 2jfd h PRO 692 Cb 0.68 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 2jfd h PRO 692 CO 0.15 0.36 0.09 -1.00 -0.21 0.00 0.00 178.00 177.38 2jfd h PRO 693 N 0.56 0.23 -0.64 1.05 0.13 -1.82 -2.24 132.00 129.26 2jfd h PRO 693 Ca 0.24 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2jfd h PRO 693 Cb 0.13 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.18 2jfd h PRO 693 CO -0.15 0.24 0.41 -0.07 -0.23 0.00 0.00 178.00 178.19 2jfd h LEU 694 N 0.16 0.75 -0.98 1.56 4.07 -1.09 -2.00 115.31 117.77 2jfd h LEU 694 Ca 0.06 -0.04 0.06 0.00 0.08 0.00 0.00 57.88 58.03 2jfd h LEU 694 Cb 0.08 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 41.56 2jfd h LEU 694 CO -0.01 0.57 0.63 0.25 -1.08 0.00 0.00 178.44 178.80 2jfd h LEU 695 N 0.87 1.02 0.61 1.67 5.85 -0.10 -0.72 115.31 124.51 2jfd h LEU 695 Ca 0.23 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 2jfd h LEU 695 Cb -0.06 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 2jfd h LEU 695 CO -0.05 0.66 -0.36 1.56 -0.34 0.00 0.00 178.44 179.92 2jfd h GLN 696 N 1.17 -0.87 -0.53 1.25 7.50 -0.86 -2.24 115.11 120.53 2jfd h GLN 696 Ca 0.42 0.06 0.09 0.00 0.50 0.00 0.00 58.65 59.72 2jfd h GLN 696 Cb 0.13 0.20 -0.10 0.00 0.05 0.00 0.00 27.48 27.75 2jfd h GLN 696 CO -0.16 -0.58 -0.37 0.93 -1.50 0.00 0.00 178.83 177.15 2jfd h GLU 697 N -0.90 -0.21 -0.65 1.46 4.39 -1.06 -2.52 114.58 115.09 2jfd h GLU 697 Ca -0.08 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 2jfd h GLU 697 Cb 0.71 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 2jfd h GLU 697 CO 0.10 -0.14 0.18 -0.07 -1.16 0.00 0.00 179.01 177.92 2jfd h LEU 698 N -0.22 0.95 -1.64 1.33 3.38 -1.17 -1.08 115.31 116.86 2jfd h LEU 698 Ca 0.20 -0.18 0.15 0.00 0.09 0.00 0.00 57.88 58.14 2jfd h LEU 698 Cb 0.56 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2jfd h LEU 698 CO -0.64 0.90 0.49 0.11 0.09 0.00 0.00 178.44 179.39 2jfd h LYS 699 N 0.97 0.34 -0.22 1.13 1.57 -0.96 0.23 116.57 119.63 2jfd h LYS 699 Ca 0.21 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2jfd h LYS 699 Cb 0.31 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2jfd h LYS 699 CO -0.00 0.23 0.02 0.87 -0.57 0.00 0.00 179.45 179.99 2jfd h LYS 700 N 0.35 0.38 -0.08 3.15 1.57 -1.08 -3.35 116.57 117.51 2jfd h LYS 700 Ca 0.36 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 2jfd h LYS 700 Cb 0.89 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2jfd h LYS 700 CO -0.10 0.55 -0.29 0.28 -0.57 0.00 0.00 179.45 179.32 2jfd h VAL 701 N 0.16 1.41 -2.77 0.50 2.07 -0.70 -3.36 116.25 113.56 2jfd h VAL 701 Ca 0.06 -1.66 -0.80 0.00 0.82 0.00 0.00 66.70 65.12 2jfd h VAL 701 Cb 0.37 2.26 -0.26 0.00 -1.52 0.00 0.00 31.29 32.14 2jfd h VAL 701 CO 0.01 0.48 0.93 -0.38 0.02 0.00 0.00 177.57 178.63 2jfd n ILE 702 N -4.44 5.06 -2.54 4.57 5.41 0.60 -4.91 119.36 123.10 2jfd n ILE 702 Ca -0.08 -5.60 -0.36 0.00 1.00 0.00 0.00 62.75 57.71 2jfd n ILE 702 Cb 0.48 -2.21 -0.04 0.00 -0.71 0.00 0.00 39.64 37.16 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 -1.98 4.07 -0.87 0.38 0.52 -1.26 -4.12 118.95 115.69 2jfd s ARG 703 Ca 0.33 1.47 -0.05 0.00 -0.52 0.00 0.00 55.73 56.96 2jfd s ARG 703 Cb 0.03 -2.42 0.00 0.00 0.52 0.00 0.00 34.95 33.08 2jfd s ARG 703 CO 0.06 -0.22 0.64 -0.85 0.02 0.00 0.00 175.30 174.96 2jfd n GLU 704 N -0.31 -1.36 -1.91 3.54 0.28 -1.26 -4.87 120.64 114.76 2jfd n GLU 704 Ca 0.06 0.80 -0.40 0.00 -0.16 0.00 0.00 57.16 57.46 2jfd n GLU 704 Cb 0.50 -3.05 0.01 0.00 1.43 0.00 0.00 31.44 30.33 2jfd n GLU 704 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 2jfd s PRO 705 N -4.92 3.81 0.29 3.44 0.02 -1.26 -5.01 135.00 131.37 2jfd s PRO 705 Ca 0.08 2.31 -0.09 0.00 0.02 0.00 0.00 61.00 63.32 2jfd s PRO 705 Cb -0.04 -2.70 -0.06 0.00 0.02 0.00 0.00 34.50 31.72 2jfd s PRO 705 CO 0.88 -0.68 0.61 0.15 -0.33 0.00 0.00 177.00 177.63 2jfd s LYS 706 N -2.36 3.75 0.24 5.54 3.01 -1.26 -4.88 119.74 123.78 2jfd s LYS 706 Ca 0.59 0.25 -0.25 0.00 -1.01 0.00 0.00 55.97 55.55 2jfd s LYS 706 Cb -0.41 -2.58 -0.09 0.00 -1.01 0.00 0.00 37.83 33.74 2jfd s LYS 706 CO 0.53 0.20 0.85 -1.25 0.51 0.00 0.00 175.35 176.19 2jfd s PRO 707 N -3.29 4.58 0.43 -1.68 0.04 -1.26 -1.76 135.00 132.05 2jfd s PRO 707 Ca 0.47 1.22 -0.17 0.00 0.04 0.00 0.00 61.00 62.57 2jfd s PRO 707 Cb -0.11 -3.07 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 2jfd s PRO 707 CO 0.26 0.45 0.89 1.03 0.04 0.00 0.00 177.00 179.67 2jfd s ARG 708 N -1.56 4.05 0.38 4.56 0.52 -0.02 -4.84 118.95 122.03 2jfd s ARG 708 Ca 0.42 0.90 0.04 0.00 -0.52 0.00 0.00 55.73 56.57 2jfd s ARG 708 Cb -0.21 -2.24 -0.01 0.00 0.52 0.00 0.00 34.95 33.00 2jfd s ARG 708 CO 0.26 -0.06 0.55 -1.54 0.02 0.00 0.00 175.30 174.53 2jfd s SER 709 N -2.57 5.94 0.63 0.23 1.04 -1.26 -4.92 113.70 112.79 2jfd s SER 709 Ca 0.58 0.06 0.41 0.00 0.48 0.00 0.00 55.95 57.48 2jfd s SER 709 Cb -0.10 -1.43 2.10 0.00 0.10 0.00 0.00 66.02 66.69 2jfd s SER 709 CO 0.21 -0.52 2.25 0.00 0.98 0.00 0.00 173.24 176.17 2jfd h ALA 710 N 0.69 1.01 -0.60 5.32 0.00 -1.99 -1.38 119.26 122.31 2jfd h ALA 710 Ca -0.46 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 2jfd h ALA 710 Cb 1.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2jfd h ALA 710 CO 0.56 0.00 0.11 0.00 0.00 0.00 0.00 179.25 179.92 2jfd h ARG 711 N 0.00 0.97 -4.97 0.00 3.08 -1.94 -3.40 114.38 108.12 2jfd h ARG 711 Ca -0.00 -0.23 -0.69 0.00 0.07 0.00 0.00 59.98 59.12 2jfd h ARG 711 Cb 0.16 -0.13 -0.18 0.00 0.08 0.00 0.00 29.97 29.90 2jfd h ARG 711 CO 0.00 0.88 0.76 -0.46 -1.07 0.00 0.00 179.97 180.08 2jfd s TRP 712 N -5.19 3.13 0.01 3.04 -0.00 -0.52 -1.30 118.94 118.11 2jfd s TRP 712 Ca -0.11 -1.37 -0.30 0.00 -0.00 0.00 0.00 56.10 54.32 2jfd s TRP 712 Cb 0.15 -4.25 -0.06 0.00 -0.00 0.00 0.00 33.47 29.31 2jfd s TRP 712 CO 0.83 -1.46 1.44 -0.51 -0.00 0.00 0.00 176.95 177.24 2jfd s LEU 713 N 2.61 4.32 0.17 5.86 1.43 -0.57 -4.79 118.68 127.71 2jfd s LEU 713 Ca 0.31 2.17 -0.27 0.00 -1.03 0.00 0.00 54.13 55.31 2jfd s LEU 713 Cb -0.06 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 2jfd s LEU 713 CO -0.08 -0.74 0.84 -0.55 0.23 0.00 0.00 176.35 176.05 2jfd s SER 714 N 1.94 7.46 0.00 2.29 0.15 -1.26 -4.45 113.70 119.82 2jfd s SER 714 Ca 0.65 1.73 0.12 0.00 0.70 0.00 0.00 55.95 59.15 2jfd s SER 714 Cb -0.33 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.42 2jfd s SER 714 CO 0.27 0.15 0.67 0.35 1.20 0.00 0.00 173.24 175.88 2jfd n THR 715 N 1.82 0.00 0.05 6.45 -2.24 -1.26 -4.51 114.28 114.60 2jfd n THR 715 Ca -0.03 -0.35 -0.22 0.00 -2.27 0.00 0.00 64.05 61.18 2jfd n THR 715 Cb 0.48 1.12 -0.15 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.12 0.54 -3.03 3.42 4.64 -1.87 0.76 113.55 119.12 2jfd h SER 716 Ca 0.00 -0.88 -0.64 0.00 -0.47 0.00 0.00 61.79 59.81 2jfd h SER 716 Cb 0.39 -0.17 -0.11 0.00 -0.31 0.00 0.00 62.40 62.19 2jfd h SER 716 CO 0.00 1.75 -0.51 -0.63 -0.87 0.00 0.00 176.83 176.58 2jfd s ILE 717 N -2.58 5.27 0.59 0.95 1.01 -1.26 -4.72 121.20 120.45 2jfd s ILE 717 Ca -0.16 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 2jfd s ILE 717 Cb 0.06 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2jfd s ILE 717 CO 0.83 0.53 1.07 -2.16 0.00 0.00 0.00 174.94 175.21 2jfd s PRO 718 N -0.28 3.28 0.21 2.79 0.04 -1.26 -4.74 135.00 135.03 2jfd s PRO 718 Ca 0.10 1.29 -0.15 0.00 0.04 0.00 0.00 61.00 62.28 2jfd s PRO 718 Cb -0.12 -2.02 0.23 0.00 0.04 0.00 0.00 34.50 32.63 2jfd s PRO 718 CO 0.01 -0.85 1.61 1.49 0.04 0.00 0.00 177.00 179.29 2jfd h GLU 719 N 0.54 -0.05 -0.96 4.56 4.81 -1.98 0.23 114.58 121.75 2jfd h GLU 719 Ca -0.47 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.00 2jfd h GLU 719 Cb 1.23 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.49 2jfd h GLU 719 CO 0.57 -0.03 0.51 0.00 -0.73 0.00 0.00 179.01 179.33 2jfd h ALA 720 N 1.50 1.65 -0.42 2.92 0.00 -2.02 0.25 119.26 123.14 2jfd h ALA 720 Ca 0.31 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2jfd h ALA 720 Cb 0.52 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2jfd h ALA 720 CO -0.71 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.23 2jfd n GLN 721 N -4.96 2.15 0.23 0.00 0.00 0.78 -4.38 117.38 111.21 2jfd n GLN 721 Ca 0.25 -1.59 0.08 0.00 0.00 0.00 0.00 57.00 55.74 2jfd n GLN 721 Cb 0.72 -1.41 0.57 0.00 0.00 0.00 0.00 30.24 30.12 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 2.51 0.00 -1.59 2.61 6.55 -0.01 -3.03 115.95 123.00 2jfd h TRP 722 Ca 0.00 0.00 -0.76 0.00 0.95 0.00 0.00 58.89 59.08 2jfd h TRP 722 Cb 0.67 0.00 -0.17 0.00 -0.86 0.00 0.00 29.16 28.80 2jfd h TRP 722 CO 0.33 0.20 1.91 0.72 -1.05 0.00 0.00 178.44 180.55 2jfd n HIS 723 N -3.94 2.67 -4.31 0.49 8.25 -1.26 -4.57 115.22 112.54 2jfd n HIS 723 Ca -0.02 -2.74 -0.16 0.00 -0.26 0.00 0.00 57.72 54.53 2jfd n HIS 723 Cb 0.28 -1.71 -0.10 0.00 1.12 0.00 0.00 29.99 29.58 2jfd n HIS 723 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2jfd s SER 724 N 0.01 1.66 0.17 0.41 1.04 -1.14 -5.04 113.70 110.80 2jfd s SER 724 Ca 0.45 -1.22 -0.11 0.00 0.48 0.00 0.00 55.95 55.54 2jfd s SER 724 Cb 0.14 0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.36 2jfd s SER 724 CO -0.04 -0.54 1.64 0.28 0.98 0.00 0.00 173.24 175.56 2jfd h SER 725 N 2.51 0.93 -0.72 7.02 0.02 -1.92 0.46 113.55 121.86 2jfd h SER 725 Ca -0.38 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.31 2jfd h SER 725 Cb 1.22 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.47 2jfd h SER 725 CO 0.64 0.98 0.47 -0.07 -1.14 0.00 0.00 176.83 177.71 2jfd h LEU 726 N 0.85 0.80 0.19 5.07 4.07 -1.93 -2.81 115.31 121.56 2jfd h LEU 726 Ca 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 2jfd h LEU 726 Cb 0.46 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2jfd h LEU 726 CO 0.02 0.57 -0.09 0.00 -1.08 0.00 0.00 178.44 177.86 2jfd h ALA 727 N 1.28 -0.25 -0.66 1.53 0.00 -1.75 -3.34 119.26 116.07 2jfd h ALA 727 Ca 0.27 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.22 2jfd h ALA 727 Cb -0.07 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 17.69 2jfd h ALA 727 CO -0.07 -0.56 -0.05 0.54 0.00 0.00 0.00 179.25 179.11 2jfd n ARG 728 N -5.12 -0.05 -4.38 0.00 5.12 0.16 -4.57 116.66 107.81 2jfd n ARG 728 Ca -0.09 1.00 -0.19 0.00 -1.93 0.00 0.00 57.85 56.64 2jfd n ARG 728 Cb 0.18 -1.55 -0.10 0.00 -1.16 0.00 0.00 32.46 29.83 2jfd n ARG 728 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2jfd s THR 729 N -5.65 1.31 -1.14 0.55 -4.23 -1.25 -0.84 115.64 104.38 2jfd s THR 729 Ca -0.09 -2.07 -0.09 0.00 -1.18 0.00 0.00 61.69 58.26 2jfd s THR 729 Cb 0.19 -2.40 0.26 0.00 1.34 0.00 0.00 72.50 71.88 2jfd s THR 729 CO 0.51 -0.31 1.31 -0.24 -0.54 0.00 0.00 174.62 175.36 2jfd n SER 730 N -0.50 5.63 -4.54 3.99 2.88 -0.72 -4.74 113.62 115.62 2jfd n SER 730 Ca -0.05 -3.11 -0.25 0.00 -1.33 0.00 0.00 58.87 54.13 2jfd n SER 730 Cb 0.64 -1.40 0.13 0.00 -0.75 0.00 0.00 64.21 62.83 2jfd n SER 730 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jfd s SER 731 N 0.90 4.01 0.25 -3.46 1.04 -1.26 -4.56 113.70 110.63 2jfd s SER 731 Ca 0.34 -0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 2jfd s SER 731 Cb -0.04 0.12 0.27 0.00 0.10 0.00 0.00 66.02 66.47 2jfd s SER 731 CO -0.02 -2.10 1.92 0.00 0.98 0.00 0.00 173.24 174.02 2jfd h ALA 732 N -0.77 1.27 -0.83 5.32 0.00 -1.86 -2.14 119.26 120.26 2jfd h ALA 732 Ca -0.36 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.54 2jfd h ALA 732 Cb 1.26 -0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2jfd h ALA 732 CO 0.37 0.66 0.54 1.05 0.00 0.00 0.00 179.25 181.87 2jfd h GLU 733 N 1.33 0.86 -0.16 0.00 -0.00 -1.93 -0.10 114.58 114.59 2jfd h GLU 733 Ca 0.36 -0.05 -0.08 0.00 -0.00 0.00 0.00 59.36 59.59 2jfd h GLU 733 Cb -0.13 -0.19 -0.00 0.00 -0.00 0.00 0.00 28.75 28.43 2jfd h GLU 733 CO -0.07 0.57 -0.20 -0.92 -0.00 0.00 0.00 179.01 178.39 2jfd h TYR 734 N 0.89 0.51 -0.02 2.06 3.20 -1.67 -2.84 116.97 119.09 2jfd h TYR 734 Ca 0.36 -0.16 -0.17 0.00 3.14 0.00 0.00 58.73 61.90 2jfd h TYR 734 Cb 0.25 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2jfd h TYR 734 CO -0.00 0.82 -0.75 -0.91 -1.64 0.00 0.00 178.16 175.67 2jfd h ASN 735 N 0.05 0.22 -0.13 -2.11 2.35 -1.11 -2.11 115.58 112.74 2jfd h ASN 735 Ca 0.02 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 2jfd h ASN 735 Cb 0.75 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 2jfd h ASN 735 CO 0.05 0.89 0.02 0.58 -1.65 0.00 0.00 177.43 177.32 2jfd h VAL 736 N 0.12 1.22 -0.87 2.81 2.07 -1.12 -2.87 116.25 117.62 2jfd h VAL 736 Ca -0.02 -0.70 0.13 0.00 0.82 0.00 0.00 66.70 66.92 2jfd h VAL 736 Cb 1.33 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 32.45 2jfd h VAL 736 CO 0.11 0.21 0.48 -1.13 0.02 0.00 0.00 177.57 177.26 2jfd h ASN 737 N -0.01 0.64 -0.33 0.57 -1.24 -1.39 -1.75 115.58 112.07 2jfd h ASN 737 Ca 0.04 0.07 0.07 0.00 0.71 0.00 0.00 56.30 57.20 2jfd h ASN 737 Cb 0.30 -0.04 -0.08 0.00 0.73 0.00 0.00 38.32 39.23 2jfd h ASN 737 CO 0.00 0.31 -0.26 -1.13 -1.29 0.00 0.00 177.43 175.06 2jfd h ASN 738 N 0.73 -0.87 -0.89 1.15 -1.24 -1.17 0.71 115.58 114.00 2jfd h ASN 738 Ca 0.45 0.16 0.06 0.00 0.71 0.00 0.00 56.30 57.69 2jfd h ASN 738 Cb 0.56 0.42 -0.06 0.00 0.73 0.00 0.00 38.32 39.97 2jfd h ASN 738 CO -0.32 -0.29 0.56 0.25 -1.29 0.00 0.00 177.43 176.34 2jfd h LEU 739 N -0.23 0.88 0.00 0.34 5.85 -1.14 -3.14 115.31 117.87 2jfd h LEU 739 Ca 0.16 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 2jfd h LEU 739 Cb 0.49 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2jfd h LEU 739 CO -0.46 0.56 -0.00 0.58 -0.34 0.00 0.00 178.44 178.78 2jfd h VAL 740 N 1.01 1.61 -4.28 1.05 2.07 -1.10 -2.74 116.25 113.88 2jfd h VAL 740 Ca 0.39 -2.15 -0.51 0.00 0.82 0.00 0.00 66.70 65.25 2jfd h VAL 740 Cb 0.18 3.01 0.12 0.00 -1.52 0.00 0.00 31.29 33.07 2jfd h VAL 740 CO -0.18 0.53 0.34 -0.44 0.02 0.00 0.00 177.57 177.85 2jfd s SER 741 N -6.12 4.79 0.74 0.57 0.01 0.24 -3.18 113.70 110.75 2jfd s SER 741 Ca -0.17 1.86 -0.11 0.00 1.31 0.00 0.00 55.95 58.84 2jfd s SER 741 Cb -0.02 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.71 2jfd s SER 741 CO 0.63 -1.84 1.08 -2.16 0.41 0.00 0.00 173.24 171.36 2jfd s PRO 742 N -4.65 2.61 -0.53 12.44 0.04 -1.26 -4.59 135.00 139.05 2jfd s PRO 742 Ca 0.63 0.67 -0.21 0.00 0.04 0.00 0.00 61.00 62.13 2jfd s PRO 742 Cb -0.18 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.44 2jfd s PRO 742 CO 0.51 -1.26 0.73 0.08 0.04 0.00 0.00 177.00 177.10 2jfd s VAL 743 N -3.19 4.71 -1.26 -0.36 1.01 0.93 -4.49 120.40 117.75 2jfd s VAL 743 Ca 0.59 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 2jfd s VAL 743 Cb -0.13 -4.39 0.18 0.00 0.00 0.00 0.00 36.38 32.03 2jfd s VAL 743 CO 0.54 -0.94 1.83 0.18 0.00 0.00 0.00 175.10 176.70 2jfd n LEU 744 N 6.60 6.57 -0.06 3.92 4.77 0.26 -0.53 117.00 138.53 2jfd n LEU 744 Ca -0.04 -4.68 -0.05 0.00 -0.03 0.00 0.00 56.01 51.21 2jfd n LEU 744 Cb 0.46 -1.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.04 2jfd n LEU 744 CO 0.57 1.37 -0.08 0.15 -1.33 0.00 0.00 177.39 178.08 2jfd h PHE 745 N 5.79 0.00 -0.86 -1.77 3.04 -1.77 -3.25 116.94 118.12 2jfd h PHE 745 Ca 0.38 0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.50 2jfd h PHE 745 Cb 0.64 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 39.04 2jfd h PHE 745 CO 1.23 0.30 0.41 0.37 -2.02 0.00 0.00 178.31 178.59 2jfd h GLN 746 N -1.00 0.51 -0.08 1.11 5.75 -0.41 -1.06 115.11 119.94 2jfd h GLN 746 Ca -0.03 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.39 2jfd h GLN 746 Cb 0.42 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 2jfd h GLN 746 CO -0.02 0.34 -0.16 1.05 -2.65 0.00 0.00 178.83 177.38 2jfd h GLU 747 N 0.52 0.12 -0.18 1.69 9.09 -1.81 -0.29 114.58 123.73 2jfd h GLU 747 Ca 0.49 -0.03 -0.07 0.00 0.05 0.00 0.00 59.36 59.81 2jfd h GLU 747 Cb 0.80 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.88 2jfd h GLU 747 CO -0.43 0.29 -0.17 0.00 0.05 0.00 0.00 179.01 178.75 2jfd h ALA 748 N 1.72 0.26 -0.61 1.06 0.00 -1.26 -3.22 119.26 117.22 2jfd h ALA 748 Ca 0.02 -0.34 0.14 0.00 0.00 0.00 0.00 54.91 54.74 2jfd h ALA 748 Cb 0.36 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2jfd h ALA 748 CO 0.02 0.17 0.42 -0.07 0.00 0.00 0.00 179.25 179.79 2jfd h LEU 749 N 0.09 0.17 -1.95 0.00 3.38 -0.23 0.52 115.31 117.28 2jfd h LEU 749 Ca 0.03 0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.29 2jfd h LEU 749 Cb 0.71 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2jfd h LEU 749 CO 0.04 0.09 0.71 -0.50 0.09 0.00 0.00 178.44 178.87 2jfd h TRP 750 N 0.18 0.05 0.00 1.13 6.55 -1.38 -1.89 115.95 120.59 2jfd h TRP 750 Ca 0.29 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.13 2jfd h TRP 750 Cb 0.90 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.19 2jfd h TRP 750 CO -0.00 0.01 -0.59 0.72 -1.05 0.00 0.00 178.44 177.53 2jfd n HIS 751 N -4.27 0.29 -2.04 0.49 8.25 0.17 -4.82 115.22 113.29 2jfd n HIS 751 Ca 0.21 0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 57.33 2jfd n HIS 751 Cb 1.04 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 2jfd n HIS 751 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jfd s VAL 752 N -3.10 3.54 1.08 1.59 1.01 -0.71 -4.99 120.40 118.82 2jfd s VAL 752 Ca 0.08 0.76 -0.18 0.00 0.00 0.00 0.00 61.98 62.64 2jfd s VAL 752 Cb 0.15 -3.49 0.27 0.00 0.00 0.00 0.00 36.38 33.31 2jfd s VAL 752 CO 0.71 -0.05 0.96 -0.81 0.00 0.00 0.00 175.10 175.92 2jfd n PRO 753 N 6.58 -2.88 -0.10 2.72 -0.04 -1.26 -4.91 135.00 135.10 2jfd n PRO 753 Ca 0.16 -1.53 -0.10 0.00 -0.04 0.00 0.00 63.50 61.99 2jfd n PRO 753 Cb 0.43 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.50 -0.91 0.54 4.39 -1.95 -3.22 114.58 113.92 2jfd h GLU 754 Ca -0.36 -0.11 -0.62 0.00 0.34 0.00 0.00 59.36 58.61 2jfd h GLU 754 Cb 1.10 -0.07 -0.36 0.00 -0.10 0.00 0.00 28.75 29.32 2jfd h GLU 754 CO 0.24 0.54 0.08 0.72 -1.16 0.00 0.00 179.01 179.42 2jfd n HIS 755 N -4.68 3.01 -2.33 4.33 8.25 -1.26 -2.91 115.22 119.63 2jfd n HIS 755 Ca -0.02 -2.65 -0.39 0.00 -0.26 0.00 0.00 57.72 54.40 2jfd n HIS 755 Cb 0.17 -0.92 -0.03 0.00 1.12 0.00 0.00 29.99 30.33 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 -3.72 3.26 -0.17 -1.41 0.00 -1.22 -4.19 121.76 114.31 2jfd s ALA 756 Ca 0.58 0.97 -0.14 0.00 0.00 0.00 0.00 51.96 53.38 2jfd s ALA 756 Cb 0.46 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 2jfd s ALA 756 CO 0.00 -0.43 0.29 0.08 0.00 0.00 0.00 175.76 175.70 2jfd s VAL 757 N -1.33 5.30 -0.10 0.00 1.01 -0.12 -0.95 120.40 124.21 2jfd s VAL 757 Ca 0.53 0.53 0.02 0.00 0.00 0.00 0.00 61.98 63.05 2jfd s VAL 757 Cb -0.32 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2jfd s VAL 757 CO 0.40 0.37 -0.15 -0.69 0.00 0.00 0.00 175.10 175.03 2jfd s VAL 758 N 0.63 1.47 -0.23 2.92 1.01 0.21 -0.35 120.40 126.06 2jfd s VAL 758 Ca 0.16 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 2jfd s VAL 758 Cb -0.13 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2jfd s VAL 758 CO 0.04 0.43 -0.04 -0.76 0.00 0.00 0.00 175.10 174.77 2jfd s LEU 759 N 0.92 2.99 -0.56 3.92 1.43 -0.32 0.62 118.68 127.69 2jfd s LEU 759 Ca -0.08 -0.53 -0.28 0.00 -1.03 0.00 0.00 54.13 52.21 2jfd s LEU 759 Cb -0.15 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.38 2jfd s LEU 759 CO -0.00 -0.05 1.16 -0.70 0.23 0.00 0.00 176.35 176.98 2jfd s GLU 760 N 1.44 3.53 -0.59 1.70 2.12 0.15 -1.41 118.70 125.64 2jfd s GLU 760 Ca 0.04 0.26 -0.20 0.00 0.36 0.00 0.00 54.97 55.44 2jfd s GLU 760 Cb -0.15 -4.00 0.09 0.00 0.26 0.00 0.00 34.13 30.33 2jfd s GLU 760 CO -0.04 -1.61 0.75 0.42 -0.54 0.00 0.00 175.26 174.24 2jfd s ILE 761 N 4.79 4.72 -0.23 -3.70 1.01 0.15 -3.37 121.20 124.57 2jfd s ILE 761 Ca 0.43 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 2jfd s ILE 761 Cb -0.08 -4.51 0.16 0.00 0.01 0.00 0.00 42.46 38.04 2jfd s ILE 761 CO 0.26 -1.15 1.18 0.00 0.00 0.00 0.00 174.94 175.23 2jfd s ALA 762 N 2.96 -2.04 0.59 9.38 0.00 -1.26 -2.91 121.76 128.48 2jfd s ALA 762 Ca 0.14 1.74 0.43 0.00 0.00 0.00 0.00 51.96 54.28 2jfd s ALA 762 Cb -0.22 -1.19 2.31 0.00 0.00 0.00 0.00 23.12 24.02 2jfd s ALA 762 CO 0.08 -0.26 2.33 -1.35 0.00 0.00 0.00 175.76 176.56 2jfd h PRO 763 N 2.54 0.00 -3.85 0.00 0.11 -1.90 -3.37 132.00 125.53 2jfd h PRO 763 Ca -0.16 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.80 2jfd h PRO 763 Cb 1.18 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.09 2jfd h PRO 763 CO 0.25 0.00 -0.61 -1.58 -0.21 0.00 0.00 178.00 175.85 2jfd s HIS 764 N -4.09 0.22 -1.32 0.65 5.65 -1.25 -4.19 115.29 110.97 2jfd s HIS 764 Ca -0.04 -0.49 -0.07 0.00 0.25 0.00 0.00 55.06 54.71 2jfd s HIS 764 Cb 0.12 -0.17 0.13 0.00 -1.18 0.00 0.00 32.58 31.49 2jfd s HIS 764 CO 0.42 -0.27 2.25 0.00 -0.65 0.00 0.00 174.74 176.48 2jfd n ALA 765 N 1.21 6.41 -0.15 1.58 0.00 -0.98 -4.74 120.51 123.84 2jfd n ALA 765 Ca -0.21 -4.14 -0.07 0.00 0.00 0.00 0.00 53.44 49.01 2jfd n ALA 765 Cb 0.57 -2.84 0.02 0.00 0.00 0.00 0.00 19.45 17.19 2jfd n ALA 765 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jfd h LEU 766 N 6.27 0.50 0.00 0.00 4.07 -1.94 -3.01 115.31 121.20 2jfd h LEU 766 Ca 0.62 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.57 2jfd h LEU 766 Cb 0.40 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.02 2jfd h LEU 766 CO 1.53 0.36 0.00 0.18 -1.08 0.00 0.00 178.44 179.43 2jfd n LEU 767 N -4.79 0.00 -0.08 1.67 7.99 -1.26 -3.94 117.00 116.59 2jfd n LEU 767 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.95 2jfd n LEU 767 Cb 0.04 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.35 2jfd n LEU 767 CO 0.34 0.00 0.89 1.56 -1.51 0.00 0.00 177.39 178.67 2jfd h GLN 768 N 0.00 0.15 0.25 3.23 1.08 -1.93 0.14 115.11 118.03 2jfd h GLN 768 Ca 0.00 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2jfd h GLN 768 Cb 0.00 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 2jfd h GLN 768 CO 0.00 0.10 -0.35 0.00 -0.95 0.00 0.00 178.83 177.63 2jfd h ALA 769 N 1.22 -0.69 -0.77 3.87 0.00 -1.84 -1.17 119.26 119.88 2jfd h ALA 769 Ca 0.14 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2jfd h ALA 769 Cb 0.15 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2jfd h ALA 769 CO -0.19 -0.93 0.47 0.28 0.00 0.00 0.00 179.25 178.88 2jfd h VAL 770 N -0.66 1.05 -0.23 0.00 2.07 -1.74 -1.00 116.25 115.74 2jfd h VAL 770 Ca -0.00 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2jfd h VAL 770 Cb 0.64 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2jfd h VAL 770 CO -0.13 0.16 0.04 -0.07 0.02 0.00 0.00 177.57 177.59 2jfd h LEU 771 N 0.88 0.37 -0.38 2.57 3.38 -0.48 0.22 115.31 121.88 2jfd h LEU 771 Ca 0.33 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jfd h LEU 771 Cb 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2jfd h LEU 771 CO -0.15 0.54 0.23 0.11 0.09 0.00 0.00 178.44 179.26 2jfd h LYS 772 N 0.19 0.51 -0.58 1.13 1.57 -0.96 -1.65 116.57 116.78 2jfd h LYS 772 Ca 0.07 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2jfd h LYS 772 Cb 0.32 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 2jfd h LYS 772 CO 0.00 0.38 0.17 -0.09 -0.57 0.00 0.00 179.45 179.34 2jfd h ARG 773 N 0.50 0.88 -0.58 3.15 2.43 -0.93 -3.13 114.38 116.70 2jfd h ARG 773 Ca 0.14 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2jfd h ARG 773 Cb -0.01 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2jfd h ARG 773 CO -0.03 0.77 0.00 0.41 -1.51 0.00 0.00 179.97 179.61 2jfd n GLY 774 N -0.89 2.91 3.09 2.80 0.00 0.75 -4.94 105.19 108.91 2jfd n GLY 774 Ca 0.04 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.97 2.20 0.04 0.99 1.43 -0.64 -4.79 118.68 115.92 2jfd s LEU 775 Ca 0.49 -0.47 -0.38 0.00 -1.03 0.00 0.00 54.13 52.74 2jfd s LEU 775 Cb 0.32 -0.39 -0.17 0.00 0.03 0.00 0.00 46.19 45.99 2jfd s LEU 775 CO 0.22 -0.07 1.33 0.29 0.23 0.00 0.00 176.35 178.35 2jfd n LYS 776 N 1.78 0.94 -0.27 1.70 4.01 -1.26 -4.81 118.16 120.26 2jfd n LYS 776 Ca -0.20 0.34 0.21 0.00 -0.51 0.00 0.00 58.31 58.15 2jfd n LYS 776 Cb 0.55 -1.96 0.39 0.00 -0.51 0.00 0.00 35.03 33.49 2jfd n LYS 776 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2jfd n PRO 777 N 2.60 -0.05 0.00 1.97 -0.01 -1.26 -0.59 135.00 137.65 2jfd n PRO 777 Ca 0.19 1.16 0.07 0.00 -0.01 0.00 0.00 63.50 64.91 2jfd n PRO 777 Cb 0.16 -1.98 0.35 0.00 -0.01 0.00 0.00 33.50 32.02 2jfd n PRO 777 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 175.50 174.36 2jfd n SER 778 N -4.96 0.00 -4.82 2.55 3.41 -1.26 -4.65 113.62 103.89 2jfd n SER 778 Ca 0.26 -0.02 -0.35 0.00 -0.26 0.00 0.00 58.87 58.50 2jfd n SER 778 Cb 0.88 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 2jfd n SER 778 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jfd s THR 780 N -1.82 3.62 -0.17 0.00 2.01 -0.13 -4.97 115.64 114.17 2jfd s THR 780 Ca 0.52 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.05 2jfd s THR 780 Cb -0.14 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.87 2jfd s THR 780 CO 0.19 0.54 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.86 2jfd s ILE 781 N -0.10 1.84 -0.17 1.82 1.01 -1.26 0.64 121.20 124.98 2jfd s ILE 781 Ca 0.01 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.81 2jfd s ILE 781 Cb -0.13 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.64 2jfd s ILE 781 CO 0.03 0.45 -0.20 -0.63 0.00 0.00 0.00 174.94 174.59 2jfd s ILE 782 N 1.37 2.00 0.20 2.92 1.01 0.20 -4.97 121.20 123.93 2jfd s ILE 782 Ca 0.04 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.62 2jfd s ILE 782 Cb -0.14 -1.80 -0.08 0.00 0.01 0.00 0.00 42.46 40.45 2jfd s ILE 782 CO -0.11 0.53 0.63 -2.16 0.00 0.00 0.00 174.94 173.82 2jfd s PRO 783 N 1.21 4.04 -0.06 2.79 0.04 -1.26 -0.67 135.00 141.10 2jfd s PRO 783 Ca 0.03 0.60 0.20 0.00 0.04 0.00 0.00 61.00 61.86 2jfd s PRO 783 Cb -0.13 -2.82 -0.30 0.00 0.04 0.00 0.00 34.50 31.29 2jfd s PRO 783 CO -0.10 0.39 0.38 1.28 0.04 0.00 0.00 177.00 178.99 2jfd n LEU 784 N 0.52 0.00 -3.82 -3.56 4.77 -1.22 -4.71 117.00 108.98 2jfd n LEU 784 Ca -0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 2jfd n LEU 784 Cb 0.52 0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 2jfd n LEU 784 CO 0.43 0.08 -0.09 -0.04 -1.33 0.00 0.00 177.39 176.43 2jfd s MET 785 N -3.25 0.52 -0.05 3.23 -1.94 -1.26 -3.64 119.30 112.91 2jfd s MET 785 Ca -0.08 -0.23 0.06 0.00 -1.71 0.00 0.00 55.69 53.73 2jfd s MET 785 Cb 0.12 0.23 -0.01 0.00 2.01 0.00 0.00 34.83 37.17 2jfd s MET 785 CO 0.83 -0.13 -0.25 0.15 -0.01 0.00 0.00 175.02 175.62 2jfd s LYS 786 N -1.17 2.49 0.04 2.03 1.02 -1.26 -2.31 119.74 120.58 2jfd s LYS 786 Ca -0.12 -0.90 -0.33 0.00 0.02 0.00 0.00 55.97 54.64 2jfd s LYS 786 Cb -0.06 -2.13 -0.12 0.00 -0.52 0.00 0.00 37.83 35.00 2jfd s LYS 786 CO 0.02 0.39 1.82 0.36 -0.92 0.00 0.00 175.35 177.02 2jfd n LYS 787 N 2.91 2.45 -1.35 1.68 -0.00 -1.26 -1.91 118.16 120.68 2jfd n LYS 787 Ca -0.17 0.89 -0.12 0.00 -0.00 0.00 0.00 58.31 58.91 2jfd n LYS 787 Cb 0.52 -2.75 -0.05 0.00 -0.00 0.00 0.00 35.03 32.75 2jfd n LYS 787 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2jfd n ASP 788 N 5.78 -4.68 -4.77 -5.58 3.85 -1.26 -4.97 116.55 104.91 2jfd n ASP 788 Ca 0.20 0.30 -0.40 0.00 -0.71 0.00 0.00 54.79 54.18 2jfd n ASP 788 Cb 0.33 -3.25 0.01 0.00 -1.35 0.00 0.00 41.12 36.87 2jfd n ASP 788 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 2jfd s HIS 789 N -2.37 2.48 0.28 2.11 5.04 -0.80 -4.90 115.29 117.12 2jfd s HIS 789 Ca 0.00 1.26 -0.05 0.00 -1.54 0.00 0.00 55.06 54.72 2jfd s HIS 789 Cb 0.00 -3.92 0.53 0.00 0.04 0.00 0.00 32.58 29.22 2jfd s HIS 789 CO 0.00 -2.92 1.58 0.07 -2.34 0.00 0.00 174.74 171.13 2jfd h ARG 790 N 2.40 0.02 -1.17 2.88 0.11 -1.93 -3.39 114.38 113.31 2jfd h ARG 790 Ca -0.51 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.54 2jfd h ARG 790 Cb 1.26 -0.00 -0.23 0.00 1.11 0.00 0.00 29.97 32.11 2jfd h ARG 790 CO 0.61 0.01 -0.42 0.34 0.10 0.00 0.00 179.97 180.62 2jfd s ASP 791 N -5.17 -1.16 0.41 0.08 2.15 -1.26 -5.05 116.67 106.67 2jfd s ASP 791 Ca -0.14 0.01 0.29 0.00 0.43 0.00 0.00 52.55 53.14 2jfd s ASP 791 Cb 0.26 1.81 1.29 0.00 -0.30 0.00 0.00 42.92 45.99 2jfd s ASP 791 CO 0.77 -0.31 1.87 0.78 -0.17 0.00 0.00 175.17 178.11 2jfd h ASN 792 N 7.99 0.00 0.02 -0.34 2.35 -1.89 -2.24 115.58 121.47 2jfd h ASN 792 Ca -0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2jfd h ASN 792 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 2jfd h ASN 792 CO 0.17 0.00 -0.01 0.25 -1.65 0.00 0.00 177.43 176.20 2jfd h LEU 793 N 0.00 -0.02 -0.72 1.61 5.85 -1.94 0.61 115.31 120.71 2jfd h LEU 793 Ca 0.00 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.63 2jfd h LEU 793 Cb 0.33 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 2jfd h LEU 793 CO 0.00 0.17 0.37 -0.08 -0.34 0.00 0.00 178.44 178.55 2jfd h GLU 794 N -0.20 0.61 0.24 1.25 4.81 -1.81 0.16 114.58 119.63 2jfd h GLU 794 Ca -0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2jfd h GLU 794 Cb 0.20 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2jfd h GLU 794 CO 0.00 0.40 -0.11 0.35 -0.73 0.00 0.00 179.01 178.92 2jfd h PHE 795 N 0.62 -0.30 -0.29 0.92 3.57 -1.20 -0.70 116.94 119.57 2jfd h PHE 795 Ca 0.35 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.90 2jfd h PHE 795 Cb 0.35 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 2jfd h PHE 795 CO -0.10 -0.06 -0.02 0.35 -2.23 0.00 0.00 178.31 176.25 2jfd h PHE 796 N -0.49 -0.04 -0.32 0.41 3.57 0.52 -1.43 116.94 119.16 2jfd h PHE 796 Ca -0.03 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2jfd h PHE 796 Cb 0.37 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 2jfd h PHE 796 CO -0.01 -0.07 0.14 -0.07 -2.23 0.00 0.00 178.31 176.07 2jfd h LEU 797 N 0.07 0.20 -0.87 0.59 3.38 -0.63 -0.57 115.31 117.48 2jfd h LEU 797 Ca 0.14 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.35 2jfd h LEU 797 Cb 0.19 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.80 2jfd h LEU 797 CO -0.25 0.15 0.32 0.00 0.09 0.00 0.00 178.44 178.75 2jfd h ALA 798 N 1.18 1.32 -0.79 1.53 0.00 -0.57 0.26 119.26 122.19 2jfd h ALA 798 Ca 0.14 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2jfd h ALA 798 Cb 0.07 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2jfd h ALA 798 CO -0.11 -0.38 0.33 0.78 0.00 0.00 0.00 179.25 179.88 2jfd h GLY 799 N 0.33 1.26 1.74 0.00 0.00 -0.08 0.27 103.07 106.59 2jfd h GLY 799 Ca 0.54 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 2jfd h GLY 799 CO -0.56 0.63 -0.40 -2.22 0.00 0.00 0.00 176.54 174.00 2jfd h ILE 800 N 1.14 1.30 -0.99 2.60 1.08 0.25 -0.51 117.51 122.39 2jfd h ILE 800 Ca 0.27 -1.51 0.04 0.00 -0.39 0.00 0.00 64.86 63.27 2jfd h ILE 800 Cb 0.19 1.64 -0.06 0.00 -3.07 0.00 0.00 36.82 35.53 2jfd h ILE 800 CO -0.03 0.45 0.65 1.23 -0.69 0.00 0.00 178.15 179.77 2jfd h GLY 801 N 1.18 1.44 1.43 5.37 0.00 0.64 -2.69 103.07 110.44 2jfd h GLY 801 Ca 0.02 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 2jfd h GLY 801 CO 0.06 0.41 -0.17 3.21 0.00 0.00 0.00 176.54 180.05 2jfd h ARG 802 N 1.24 0.67 -0.68 4.80 3.08 0.63 -1.70 114.38 122.41 2jfd h ARG 802 Ca 0.40 -0.24 0.12 0.00 0.07 0.00 0.00 59.98 60.33 2jfd h ARG 802 Cb 0.02 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 29.94 2jfd h ARG 802 CO -0.13 0.80 0.24 -0.07 -1.07 0.00 0.00 179.97 179.74 2jfd h LEU 803 N 0.60 0.19 0.25 3.04 3.38 -1.08 -1.69 115.31 119.99 2jfd h LEU 803 Ca 0.09 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2jfd h LEU 803 Cb 0.63 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2jfd h LEU 803 CO 0.04 0.09 -0.21 -0.74 0.09 0.00 0.00 178.44 177.71 2jfd h HIS 804 N 0.39 -0.55 0.00 1.13 2.76 -1.17 -1.02 115.15 116.69 2jfd h HIS 804 Ca 0.36 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 2jfd h HIS 804 Cb 0.52 0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.69 2jfd h HIS 804 CO -0.19 -0.32 0.03 1.28 -1.30 0.00 0.00 177.93 177.44 2jfd n LEU 805 N -5.34 0.41 -1.12 0.26 4.77 -0.75 -0.77 117.00 114.47 2jfd n LEU 805 Ca -0.09 0.68 0.08 0.00 -0.03 0.00 0.00 56.01 56.65 2jfd n LEU 805 Cb 0.25 -0.72 0.28 0.00 -2.33 0.00 0.00 43.42 40.90 2jfd n LEU 805 CO 0.31 -0.82 0.74 -1.54 -1.33 0.00 0.00 177.39 174.75 2jfd n SER 806 N -2.06 4.19 0.00 -1.43 3.41 -0.49 -4.63 113.62 112.61 2jfd n SER 806 Ca -0.01 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 2jfd n SER 806 Cb 0.06 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 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 0.05 2.28 3.73 5.00 0.00 0.05 -4.89 105.19 111.41 2jfd n GLY 807 Ca 0.22 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 -2.84 4.36 -0.44 -0.61 -1.09 -0.59 -4.96 121.20 115.03 2jfd s ILE 808 Ca 0.00 1.89 -0.24 0.00 -2.23 0.00 0.00 60.65 60.07 2jfd s ILE 808 Cb 0.00 -4.21 0.02 0.00 -1.58 0.00 0.00 42.46 36.70 2jfd s ILE 808 CO 0.00 0.25 0.82 -0.62 -1.23 0.00 0.00 174.94 174.17 2jfd s ASP 809 N 0.28 6.46 -0.29 3.58 2.15 -1.26 -3.57 116.67 124.03 2jfd s ASP 809 Ca 0.50 0.02 -0.03 0.00 0.43 0.00 0.00 52.55 53.48 2jfd s ASP 809 Cb -0.25 -2.40 0.11 0.00 -0.30 0.00 0.00 42.92 40.08 2jfd s ASP 809 CO 0.31 -0.92 0.19 0.00 -0.17 0.00 0.00 175.17 174.58 2jfd s ALA 810 N 3.38 0.18 -0.49 3.66 0.00 -1.26 -4.90 121.76 122.32 2jfd s ALA 810 Ca 0.32 -0.75 -0.27 0.00 0.00 0.00 0.00 51.96 51.27 2jfd s ALA 810 Cb -0.12 -1.54 0.03 0.00 0.00 0.00 0.00 23.12 21.49 2jfd s ALA 810 CO 0.23 -1.66 1.02 1.21 0.00 0.00 0.00 175.76 176.56 2jfd s ASN 811 N 2.21 6.51 0.59 0.00 3.84 -1.26 -4.91 114.94 121.92 2jfd s ASN 811 Ca 0.09 0.17 0.36 0.00 0.21 0.00 0.00 52.86 53.69 2jfd s ASN 811 Cb -0.15 -2.49 1.85 0.00 -0.55 0.00 0.00 41.25 39.91 2jfd s ASN 811 CO -0.34 -1.18 2.18 -0.65 -2.79 0.00 0.00 177.10 174.32 2jfd h PRO 812 N 9.21 0.00 -0.93 0.43 0.11 -1.93 -2.54 132.00 136.34 2jfd h PRO 812 Ca -0.24 0.00 0.28 0.00 0.11 0.00 0.00 66.00 66.15 2jfd h PRO 812 Cb 1.07 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.03 2jfd h PRO 812 CO 1.08 0.03 0.34 -0.91 -0.21 0.00 0.00 178.00 178.33 2jfd h ASN 813 N 0.00 0.13 -0.91 -2.05 2.35 -1.91 0.22 115.58 113.41 2jfd h ASN 813 Ca -0.00 0.21 0.26 0.00 -0.55 0.00 0.00 56.30 56.22 2jfd h ASN 813 Cb 0.23 0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 2jfd h ASN 813 CO 0.00 -0.19 0.66 0.00 -1.65 0.00 0.00 177.43 176.26 2jfd h ALA 814 N 1.84 2.86 0.00 -0.83 0.00 -1.78 -0.45 119.26 120.90 2jfd h ALA 814 Ca 0.63 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.48 2jfd h ALA 814 Cb 1.37 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2jfd h ALA 814 CO -0.67 -1.13 -0.14 -0.07 0.00 0.00 0.00 179.25 177.23 2jfd h LEU 815 N 0.00 0.00 -9.86 0.00 3.38 -0.78 -3.46 115.31 104.58 2jfd h LEU 815 Ca 0.43 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.84 2jfd h LEU 815 Cb 1.75 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.42 2jfd h LEU 815 CO -0.00 0.14 -0.51 -0.36 0.09 0.00 0.00 178.44 177.80 2jfd s PHE 816 N -3.48 2.61 0.77 1.13 0.40 -0.18 -4.59 117.98 114.64 2jfd s PHE 816 Ca 0.03 -0.56 -0.12 0.00 -0.60 0.00 0.00 56.93 55.67 2jfd s PHE 816 Cb 0.08 -1.89 0.06 0.00 0.51 0.00 0.00 43.02 41.78 2jfd s PHE 816 CO 0.63 0.23 1.13 -2.14 0.70 0.00 0.00 175.22 175.76 2jfd s PRO 817 N -3.88 2.10 0.56 0.24 0.02 -1.26 -4.96 135.00 127.81 2jfd s PRO 817 Ca 0.40 1.42 -0.15 0.00 0.02 0.00 0.00 61.00 62.69 2jfd s PRO 817 Cb 0.03 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.63 2jfd s PRO 817 CO 0.22 -1.80 1.01 -1.25 -0.33 0.00 0.00 177.00 174.85 2jfd s PRO 818 N -4.47 3.72 0.00 5.54 0.04 -1.26 -4.96 135.00 133.62 2jfd s PRO 818 Ca 0.66 0.96 0.19 0.00 0.04 0.00 0.00 61.00 62.85 2jfd s PRO 818 Cb -0.21 -2.10 0.18 0.00 0.04 0.00 0.00 34.50 32.40 2jfd s PRO 818 CO 0.51 -0.46 1.13 1.33 0.04 0.00 0.00 177.00 179.54 2jfd n VAL 819 N -1.95 0.08 -4.30 -0.36 0.24 -1.26 -4.95 118.33 105.83 2jfd n VAL 819 Ca 0.07 -0.54 -0.16 0.00 -2.04 0.00 0.00 64.34 61.67 2jfd n VAL 819 Cb 0.54 1.32 -0.10 0.00 -1.47 0.00 0.00 33.84 34.13 2jfd n VAL 819 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2jfd s GLU 820 N -1.53 1.26 0.61 7.34 2.12 -1.26 -4.97 118.70 122.28 2jfd s GLU 820 Ca 0.23 -1.63 -0.06 0.00 0.36 0.00 0.00 54.97 53.87 2jfd s GLU 820 Cb 0.16 -0.49 0.02 0.00 0.26 0.00 0.00 34.13 34.08 2jfd s GLU 820 CO 0.24 -0.11 0.92 -0.06 -0.54 0.00 0.00 175.26 175.71 2jfd s PHE 821 N -3.51 3.19 -2.00 5.30 0.40 -1.26 -5.20 117.98 114.90 2jfd s PHE 821 Ca 0.27 0.61 0.07 0.00 -0.60 0.00 0.00 56.93 57.28 2jfd s PHE 821 Cb 0.06 -2.83 0.42 0.00 0.51 0.00 0.00 43.02 41.17 2jfd s PHE 821 CO 0.07 -0.94 0.88 -2.30 0.70 0.00 0.00 175.22 173.63