#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfk s SER 420 N 0.00 1.99 -0.09 2.61 0.01 -1.26 -5.03 113.70 111.93 2jfk s SER 420 Ca 0.00 -0.93 -0.18 0.00 1.31 0.00 0.00 55.95 56.15 2jfk s SER 420 Cb 0.00 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 2jfk s SER 420 CO 0.00 -0.23 0.48 -0.32 0.41 0.00 0.00 173.24 173.58 2jfk s MET 421 N -3.29 4.29 0.06 12.44 0.00 -1.26 -4.81 119.30 126.73 2jfk s MET 421 Ca 0.14 0.47 0.00 0.00 0.00 0.00 0.00 55.69 56.30 2jfk s MET 421 Cb -0.01 -3.40 -0.04 0.00 0.00 0.00 0.00 34.83 31.38 2jfk s MET 421 CO 0.03 0.24 -0.05 1.03 0.00 0.00 0.00 175.02 176.27 2jfk s ARG 422 N 0.36 0.61 -0.15 4.11 1.81 -0.89 -5.01 118.95 119.79 2jfk s ARG 422 Ca 0.26 -1.09 -0.14 0.00 -1.72 0.00 0.00 55.73 53.04 2jfk s ARG 422 Cb -0.16 0.02 -0.05 0.00 -0.45 0.00 0.00 34.95 34.31 2jfk s ARG 422 CO 0.11 -0.05 0.29 -1.17 -0.68 0.00 0.00 175.30 173.80 2jfk s LEU 423 N -2.54 4.26 -0.18 2.53 2.96 -1.26 -0.50 118.68 123.94 2jfk s LEU 423 Ca 0.02 0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.43 2jfk s LEU 423 Cb 0.02 -2.37 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 2jfk s LEU 423 CO -0.06 0.12 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.79 2jfk s LEU 424 N 0.36 2.87 -0.01 -0.68 2.96 -0.17 -4.88 118.68 119.13 2jfk s LEU 424 Ca 0.17 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2jfk s LEU 424 Cb -0.13 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2jfk s LEU 424 CO 0.04 0.08 -0.00 0.00 -1.32 0.00 0.00 176.35 175.14 2jfk s ARG 425 N 0.90 2.80 0.10 1.98 1.70 -1.26 -0.89 118.95 124.28 2jfk s ARG 425 Ca -0.02 -0.59 0.02 0.00 -0.47 0.00 0.00 55.73 54.68 2jfk s ARG 425 Cb -0.15 -2.68 -0.04 0.00 -0.57 0.00 0.00 34.95 31.52 2jfk s ARG 425 CO 0.01 0.63 -0.07 0.00 -1.08 0.00 0.00 175.30 174.78 2jfk s ALA 426 N -1.06 1.03 0.02 7.88 0.00 0.33 -4.54 121.76 125.44 2jfk s ALA 426 Ca 0.19 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 2jfk s ALA 426 Cb -0.11 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2jfk s ALA 426 CO 0.09 -0.19 0.06 -1.12 0.00 0.00 0.00 175.76 174.60 2jfk s SER 427 N -2.94 0.17 0.08 0.00 0.01 -1.26 -1.45 113.70 108.32 2jfk s SER 427 Ca 0.11 -0.45 -0.26 0.00 1.31 0.00 0.00 55.95 56.65 2jfk s SER 427 Cb 0.04 0.18 0.09 0.00 0.21 0.00 0.00 66.02 66.53 2jfk s SER 427 CO -0.03 -0.41 1.14 -0.83 0.41 0.00 0.00 173.24 173.52 2jfk s GLY 428 N -1.74 -0.15 0.00 3.44 0.00 0.83 -4.66 107.32 105.03 2jfk s GLY 428 Ca -0.11 0.12 0.23 0.00 0.00 0.00 0.00 44.72 44.96 2jfk s GLY 428 CO -0.02 1.89 1.14 0.54 0.00 0.00 0.00 173.10 176.64 2jfk n ARG 429 N -0.63 1.61 -3.83 2.90 1.74 -1.26 -0.91 116.66 116.27 2jfk n ARG 429 Ca -0.04 -1.32 -0.12 0.00 -0.77 0.00 0.00 57.85 55.60 2jfk n ARG 429 Cb 0.60 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 30.47 2jfk n ARG 429 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2jfk s THR 430 N -2.28 0.04 0.35 0.55 -1.32 -1.26 -4.87 115.64 106.85 2jfk s THR 430 Ca 0.21 -0.33 0.17 0.00 -1.21 0.00 0.00 61.69 60.54 2jfk s THR 430 Cb 0.18 -0.37 0.15 0.00 -1.51 0.00 0.00 72.50 70.96 2jfk s THR 430 CO 0.47 -0.18 1.87 1.55 -2.21 0.00 0.00 174.62 176.12 2jfk h PRO 431 N 5.02 0.00 -0.42 7.08 0.13 -1.95 -0.84 132.00 141.03 2jfk h PRO 431 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2jfk h PRO 431 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2jfk h PRO 431 CO 0.39 0.30 0.21 0.93 -0.23 0.00 0.00 178.00 179.61 2jfk h GLU 432 N 0.00 0.58 0.30 0.86 3.07 -1.98 -0.31 114.58 117.10 2jfk h GLU 432 Ca -0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2jfk h GLU 432 Cb 0.61 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 2jfk h GLU 432 CO 0.04 0.44 -0.33 0.00 -1.40 0.00 0.00 179.01 177.76 2jfk h ALA 433 N 1.65 -0.69 -0.38 3.43 0.00 -1.57 0.08 119.26 121.78 2jfk h ALA 433 Ca 0.15 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2jfk h ALA 433 Cb 0.05 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2jfk h ALA 433 CO -0.02 -0.93 0.22 0.28 0.00 0.00 0.00 179.25 178.80 2jfk h VAL 434 N -0.68 1.03 -0.60 0.00 2.07 -1.31 -1.46 116.25 115.32 2jfk h VAL 434 Ca -0.01 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.43 2jfk h VAL 434 Cb 0.63 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 2jfk h VAL 434 CO -0.08 0.08 0.25 1.56 0.02 0.00 0.00 177.57 179.40 2jfk h GLN 435 N 0.45 0.45 -0.54 1.57 1.08 -0.85 0.21 115.11 117.48 2jfk h GLN 435 Ca 0.15 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.26 2jfk h GLN 435 Cb 0.01 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2jfk h GLN 435 CO -0.07 0.29 0.08 0.87 -0.95 0.00 0.00 178.83 179.05 2jfk h LYS 436 N 0.46 0.89 -0.44 1.46 1.79 -0.66 -0.31 116.57 119.77 2jfk h LYS 436 Ca 0.29 -0.24 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 2jfk h LYS 436 Cb 0.31 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 2jfk h LYS 436 CO -0.26 0.87 0.23 1.25 -1.08 0.00 0.00 179.45 180.46 2jfk h LEU 437 N 0.78 0.56 -0.94 2.94 5.85 -0.48 -0.77 115.31 123.25 2jfk h LEU 437 Ca 0.16 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 2jfk h LEU 437 Cb 0.42 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2jfk h LEU 437 CO 0.01 0.50 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.44 2jfk h LEU 438 N 0.58 0.64 -0.84 2.25 3.38 -0.47 -2.53 115.31 118.32 2jfk h LEU 438 Ca 0.15 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2jfk h LEU 438 Cb 0.07 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2jfk h LEU 438 CO -0.02 0.78 0.38 -0.08 0.09 0.00 0.00 178.44 179.58 2jfk h GLU 439 N 0.60 1.22 -0.53 1.13 4.57 -0.65 -1.36 114.58 119.57 2jfk h GLU 439 Ca 0.11 -0.20 -0.06 0.00 -1.18 0.00 0.00 59.36 58.03 2jfk h GLU 439 Cb 0.53 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2jfk h GLU 439 CO 0.03 0.96 0.08 1.96 -1.18 0.00 0.00 179.01 180.86 2jfk h GLN 440 N 1.20 0.83 -0.57 1.92 1.08 -0.86 -1.33 115.11 117.39 2jfk h GLN 440 Ca 0.28 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 57.21 2jfk h GLN 440 Cb 0.15 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2jfk h GLN 440 CO -0.03 0.78 0.03 0.78 -0.95 0.00 0.00 178.83 179.44 2jfk h GLY 441 N 0.98 1.06 0.92 3.46 0.00 -1.16 -2.15 103.07 106.19 2jfk h GLY 441 Ca 0.17 -0.76 0.02 0.00 0.00 0.00 0.00 47.33 46.76 2jfk h GLY 441 CO 0.01 0.70 0.51 -2.00 0.00 0.00 0.00 176.54 175.75 2jfk h LEU 442 N 0.87 0.86 -0.48 3.11 5.85 -0.88 -0.15 115.31 124.49 2jfk h LEU 442 Ca 0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2jfk h LEU 442 Cb 0.50 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2jfk h LEU 442 CO 0.02 0.60 0.00 0.54 -0.34 0.00 0.00 178.44 179.27 2jfk n ARG 443 N -4.58 0.18 -1.21 1.25 3.00 -0.53 -2.66 116.66 112.10 2jfk n ARG 443 Ca 0.09 0.36 -0.01 0.00 -0.01 0.00 0.00 57.85 58.27 2jfk n ARG 443 Cb 0.06 -1.81 0.13 0.00 0.00 0.00 0.00 32.46 30.84 2jfk n ARG 443 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2jfk n HIS 444 N -2.14 0.66 -0.38 -1.55 8.25 -0.76 -4.89 115.22 114.42 2jfk n HIS 444 Ca 0.03 -1.52 0.30 0.00 -0.26 0.00 0.00 57.72 56.27 2jfk n HIS 444 Cb 0.26 -0.25 0.58 0.00 1.12 0.00 0.00 29.99 31.71 2jfk n HIS 444 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2jfk h SER 445 N 1.36 0.33 -0.01 0.41 0.02 -0.82 0.60 113.55 115.44 2jfk h SER 445 Ca 0.03 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2jfk h SER 445 Cb 1.29 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2jfk h SER 445 CO 0.19 -0.06 -0.01 0.00 -1.14 0.00 0.00 176.83 175.81 2jfk n GLN 446 N -4.66 1.84 -3.13 3.45 1.13 -1.26 -4.66 117.38 110.09 2jfk n GLN 446 Ca 0.31 -1.24 -0.45 0.00 -1.94 0.00 0.00 57.00 53.68 2jfk n GLN 446 Cb 1.16 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 30.00 2jfk n GLN 446 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2jfk s ASP 447 N -2.01 6.42 0.13 1.08 -1.08 0.20 -4.91 116.67 116.50 2jfk s ASP 447 Ca 0.35 -1.88 -0.11 0.00 -0.52 0.00 0.00 52.55 50.39 2jfk s ASP 447 Cb 0.21 -2.30 -0.07 0.00 -1.46 0.00 0.00 42.92 39.29 2jfk s ASP 447 CO 0.33 -0.97 1.40 -0.07 0.52 0.00 0.00 175.17 176.38 2jfk h LEU 448 N 9.53 0.93 -1.29 -1.34 3.38 -1.84 -1.57 115.31 123.11 2jfk h LEU 448 Ca -0.10 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.38 2jfk h LEU 448 Cb 1.06 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2jfk h LEU 448 CO 1.02 1.31 0.49 0.00 0.09 0.00 0.00 178.44 181.35 2jfk h ALA 449 N 0.70 1.54 0.09 1.53 0.00 -1.92 0.21 119.26 121.41 2jfk h ALA 449 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jfk h ALA 449 Cb 1.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2jfk h ALA 449 CO 0.13 0.40 -0.05 0.35 0.00 0.00 0.00 179.25 180.08 2jfk h PHE 450 N 0.94 -0.12 -0.86 0.00 3.57 -1.87 -2.54 116.94 116.06 2jfk h PHE 450 Ca 0.29 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 2jfk h PHE 450 Cb 0.01 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 2jfk h PHE 450 CO -0.00 0.27 0.53 -0.07 -2.23 0.00 0.00 178.31 176.80 2jfk h LEU 451 N -0.53 1.02 -0.91 0.59 3.38 -0.96 -0.59 115.31 117.31 2jfk h LEU 451 Ca -0.01 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 57.99 2jfk h LEU 451 Cb 0.44 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 2jfk h LEU 451 CO 0.02 0.78 0.56 -1.28 0.09 0.00 0.00 178.44 178.61 2jfk h SER 452 N 1.18 0.83 -0.24 -0.43 0.87 -0.62 -0.73 113.55 114.41 2jfk h SER 452 Ca 0.31 0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.75 2jfk h SER 452 Cb -0.06 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2jfk h SER 452 CO -0.06 0.48 -0.48 -0.03 -0.53 0.00 0.00 176.83 176.21 2jfk h MET 453 N 0.94 0.75 -0.23 2.24 1.85 -0.83 -2.26 114.93 117.38 2jfk h MET 453 Ca 0.43 -0.48 -0.01 0.00 -0.61 0.00 0.00 59.70 59.03 2jfk h MET 453 Cb 0.35 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.42 2jfk h MET 453 CO -0.23 1.11 0.10 -0.07 -0.40 0.00 0.00 176.91 177.42 2jfk h LEU 454 N 0.49 0.28 -0.10 3.39 3.38 -0.63 -2.61 115.31 119.51 2jfk h LEU 454 Ca 0.01 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2jfk h LEU 454 Cb 1.08 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2jfk h LEU 454 CO 0.11 0.25 -0.15 0.78 0.09 0.00 0.00 178.44 179.52 2jfk h ASN 455 N 0.32 0.30 -0.66 -0.43 2.35 -0.93 -2.90 115.58 113.63 2jfk h ASN 455 Ca 0.08 -0.54 0.13 0.00 -0.55 0.00 0.00 56.30 55.43 2jfk h ASN 455 Cb 0.06 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 2jfk h ASN 455 CO -0.01 0.78 0.45 0.44 -1.65 0.00 0.00 177.43 177.43 2jfk h ASP 456 N -0.17 0.30 0.04 5.81 3.45 -1.29 -2.46 116.42 122.10 2jfk h ASP 456 Ca 0.01 0.01 -0.16 0.00 0.43 0.00 0.00 57.03 57.33 2jfk h ASP 456 Cb 0.71 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.43 2jfk h ASP 456 CO 0.03 0.16 -0.53 0.40 -1.57 0.00 0.00 179.24 177.73 2jfk h ILE 457 N 0.32 1.32 0.00 0.35 2.04 -1.36 -3.29 117.51 116.90 2jfk h ILE 457 Ca 0.32 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.40 2jfk h ILE 457 Cb 0.79 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 2jfk h ILE 457 CO -0.08 0.55 0.04 0.00 0.00 0.00 0.00 178.15 178.67 2jfk h ALA 458 N 1.00 1.04 -0.17 1.87 0.00 -1.24 -3.35 119.26 118.42 2jfk h ALA 458 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.45 2jfk h ALA 458 Cb 1.07 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.89 2jfk h ALA 458 CO 0.10 -0.04 1.53 0.00 0.00 0.00 0.00 179.25 180.83 2jfk n ALA 459 N -2.05 2.14 -3.73 0.00 0.00 -1.24 -4.64 120.51 110.98 2jfk n ALA 459 Ca -0.03 -3.02 -0.21 0.00 0.00 0.00 0.00 53.44 50.18 2jfk n ALA 459 Cb 0.11 -3.57 -0.17 0.00 0.00 0.00 0.00 19.45 15.81 2jfk n ALA 459 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jfk s VAL 460 N 8.55 0.26 0.49 0.00 1.01 -1.26 -5.13 120.40 124.33 2jfk s VAL 460 Ca 0.65 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.58 2jfk s VAL 460 Cb 0.08 -0.43 -0.09 0.00 0.00 0.00 0.00 36.38 35.94 2jfk s VAL 460 CO 0.17 0.23 0.90 -0.81 0.00 0.00 0.00 175.10 175.58 2jfk n PRO 461 N 4.98 1.06 -0.35 2.72 -0.04 -1.26 -4.59 135.00 137.51 2jfk n PRO 461 Ca -0.10 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 63.88 2jfk n PRO 461 Cb 0.50 -2.00 0.32 0.00 -0.04 0.00 0.00 33.50 32.28 2jfk n PRO 461 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jfk h ALA 462 N 1.01 1.67 -0.87 0.55 0.00 -1.91 0.19 119.26 119.90 2jfk h ALA 462 Ca -0.46 0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.64 2jfk h ALA 462 Cb 1.36 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 2jfk h ALA 462 CO 0.53 -0.03 -0.42 2.41 0.00 0.00 0.00 179.25 181.74 2jfk n THR 463 N -4.75 -0.52 0.04 0.00 -1.04 -1.26 -1.45 114.28 105.30 2jfk n THR 463 Ca 0.23 2.07 -0.20 0.00 -2.04 0.00 0.00 64.05 64.10 2jfk n THR 463 Cb 0.56 -2.64 -0.14 0.00 -1.82 0.00 0.00 70.33 66.28 2jfk n THR 463 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jfk h ALA 464 N 0.83 -0.03 -2.94 2.41 0.00 -1.40 -3.42 119.26 114.70 2jfk h ALA 464 Ca 0.22 -0.78 -0.61 0.00 0.00 0.00 0.00 54.91 53.74 2jfk h ALA 464 Cb 0.44 0.19 -0.40 0.00 0.00 0.00 0.00 17.79 18.02 2jfk h ALA 464 CO -0.84 0.47 -0.75 -1.64 0.00 0.00 0.00 179.25 176.49 2jfk s MET 465 N -2.44 1.19 0.00 0.00 -1.94 -0.13 -4.76 119.30 111.22 2jfk s MET 465 Ca -0.15 -1.91 0.14 0.00 -1.71 0.00 0.00 55.69 52.06 2jfk s MET 465 Cb 0.02 -2.20 0.76 0.00 2.01 0.00 0.00 34.83 35.41 2jfk s MET 465 CO 0.82 -1.17 1.35 -0.35 -0.01 0.00 0.00 175.02 175.66 2jfk n PRO 466 N 3.62 0.27 -4.85 2.03 -0.04 -0.53 -4.17 135.00 131.34 2jfk n PRO 466 Ca 0.09 0.11 -0.33 0.00 -0.04 0.00 0.00 63.50 63.33 2jfk n PRO 466 Cb 0.35 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 2jfk n PRO 466 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jfk s PHE 467 N -2.41 2.74 0.09 0.54 0.08 -0.09 -0.15 117.98 118.78 2jfk s PHE 467 Ca 0.16 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 56.90 2jfk s PHE 467 Cb 0.10 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.81 2jfk s PHE 467 CO 0.20 0.05 -0.08 1.03 -0.10 0.00 0.00 175.22 176.31 2jfk s ARG 468 N -0.35 0.78 0.22 0.44 0.52 -0.50 -0.12 118.95 119.94 2jfk s ARG 468 Ca 0.03 -1.14 -0.15 0.00 -0.52 0.00 0.00 55.73 53.96 2jfk s ARG 468 Cb -0.13 -0.38 0.01 0.00 0.52 0.00 0.00 34.95 34.98 2jfk s ARG 468 CO 0.02 0.04 0.49 0.20 0.02 0.00 0.00 175.30 176.08 2jfk s GLY 469 N -2.47 0.22 0.11 -3.53 0.00 -0.52 -0.91 107.32 100.20 2jfk s GLY 469 Ca 0.04 -0.56 -0.08 0.00 0.00 0.00 0.00 44.72 44.12 2jfk s GLY 469 CO -0.01 -0.46 0.20 -2.52 0.00 0.00 0.00 173.10 170.31 2jfk s TYR 470 N -3.94 0.25 -0.13 1.90 1.13 -0.37 -0.51 117.35 115.68 2jfk s TYR 470 Ca 0.15 -0.67 -0.09 0.00 -1.41 0.00 0.00 57.07 55.05 2jfk s TYR 470 Cb -0.01 -0.08 0.05 0.00 -1.10 0.00 0.00 41.96 40.81 2jfk s TYR 470 CO 0.03 -0.59 0.33 0.00 -2.51 0.00 0.00 175.55 172.82 2jfk s ALA 471 N -3.90 -0.82 -0.52 9.51 0.00 -0.07 -1.69 121.76 124.27 2jfk s ALA 471 Ca 0.09 1.16 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 2jfk s ALA 471 Cb 0.05 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.52 2jfk s ALA 471 CO -0.08 -0.21 0.74 0.08 0.00 0.00 0.00 175.76 176.30 2jfk s VAL 472 N 0.90 4.70 0.07 0.00 1.01 -1.26 -1.00 120.40 124.83 2jfk s VAL 472 Ca -0.06 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 2jfk s VAL 472 Cb -0.07 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 2jfk s VAL 472 CO -0.07 -0.90 0.91 -0.76 0.00 0.00 0.00 175.10 174.29 2jfk s LEU 473 N 3.10 4.46 0.00 3.92 1.43 0.34 -4.52 118.68 127.41 2jfk s LEU 473 Ca 0.21 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 2jfk s LEU 473 Cb -0.16 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2jfk s LEU 473 CO 0.15 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.26 2jfk n GLY 474 N 2.40 -0.91 0.32 -3.19 0.00 -1.26 -2.11 105.19 100.44 2jfk n GLY 474 Ca 0.02 -1.61 0.04 0.00 0.00 0.00 0.00 46.02 44.46 2jfk n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jfk n GLY 475 N -0.62 -2.82 0.00 -0.02 0.00 -1.26 -4.58 105.19 95.89 2jfk n GLY 475 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2jfk n GLY 475 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jfk n GLU 476 N -2.46 0.00 -0.25 1.61 0.00 -1.26 -3.16 120.64 115.12 2jfk n GLU 476 Ca -0.02 0.37 -0.02 0.00 0.00 0.00 0.00 57.16 57.50 2jfk n GLU 476 Cb 0.15 -1.18 -0.02 0.00 0.00 0.00 0.00 31.44 30.39 2jfk n GLU 476 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2jfk n ARG 477 N -1.62 0.50 -2.85 3.44 1.85 -1.26 -4.73 116.66 111.98 2jfk n ARG 477 Ca 0.00 -0.13 -0.41 0.00 -1.00 0.00 0.00 57.85 56.31 2jfk n ARG 477 Cb 0.00 -1.44 -0.04 0.00 -1.05 0.00 0.00 32.46 29.93 2jfk n ARG 477 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2jfk s GLY 478 N 2.21 2.32 -0.26 2.89 0.00 -1.19 -4.89 107.32 108.40 2jfk s GLY 478 Ca 0.08 0.17 -0.28 0.00 0.00 0.00 0.00 44.72 44.70 2jfk s GLY 478 CO 0.00 1.65 1.25 -0.32 0.00 0.00 0.00 173.10 175.67 2jfk s GLY 479 N 1.07 0.04 0.16 0.20 0.00 -1.26 -5.02 107.32 102.51 2jfk s GLY 479 Ca 0.42 2.79 -0.28 0.00 0.00 0.00 0.00 44.72 47.64 2jfk s GLY 479 CO 0.16 1.39 0.87 2.56 0.00 0.00 0.00 173.10 178.08 2jfk s PRO 480 N -0.62 4.69 -0.17 2.90 0.04 -1.26 -4.64 135.00 135.93 2jfk s PRO 480 Ca 0.05 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 62.38 2jfk s PRO 480 Cb -0.02 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 2jfk s PRO 480 CO -0.07 0.44 -0.04 -1.21 0.04 0.00 0.00 177.00 176.15 2jfk s GLU 481 N -0.76 3.57 0.07 4.56 0.41 -0.68 -4.98 118.70 120.88 2jfk s GLU 481 Ca 0.40 -0.56 0.07 0.00 -0.41 0.00 0.00 54.97 54.47 2jfk s GLU 481 Cb -0.24 -2.93 -0.03 0.00 -1.78 0.00 0.00 34.13 29.15 2jfk s GLU 481 CO 0.29 0.10 -0.19 0.08 -0.49 0.00 0.00 175.26 175.05 2jfk s VAL 482 N 0.71 1.54 -0.22 2.63 1.01 -1.26 -1.23 120.40 123.58 2jfk s VAL 482 Ca -0.02 -1.31 -0.28 0.00 0.00 0.00 0.00 61.98 60.37 2jfk s VAL 482 Cb -0.15 -1.38 0.12 0.00 0.00 0.00 0.00 36.38 34.97 2jfk s VAL 482 CO 0.02 0.03 1.01 0.00 0.00 0.00 0.00 175.10 176.15 2jfk s GLN 483 N -1.52 0.56 0.21 2.72 -2.07 -0.09 -4.99 119.66 114.48 2jfk s GLN 483 Ca 0.05 0.38 -0.30 0.00 -1.82 0.00 0.00 55.36 53.67 2jfk s GLN 483 Cb -0.09 0.27 -0.09 0.00 -1.09 0.00 0.00 33.01 32.01 2jfk s GLN 483 CO 0.03 -0.13 1.30 -1.14 -1.32 0.00 0.00 175.29 174.03 2jfk s GLN 484 N -0.44 4.40 -0.17 9.60 0.74 -1.26 -1.41 119.66 131.12 2jfk s GLN 484 Ca 0.00 2.04 -0.10 0.00 0.05 0.00 0.00 55.36 57.36 2jfk s GLN 484 Cb -0.03 -3.19 -0.05 0.00 1.10 0.00 0.00 33.01 30.85 2jfk s GLN 484 CO -0.02 -0.22 0.16 0.08 -0.55 0.00 0.00 175.29 174.73 2jfk s VAL 485 N -0.01 5.42 0.79 1.34 1.01 0.78 -4.92 120.40 124.80 2jfk s VAL 485 Ca 0.56 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 2jfk s VAL 485 Cb -0.36 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.61 2jfk s VAL 485 CO 0.39 0.48 1.09 -2.16 0.00 0.00 0.00 175.10 174.91 2jfk s PRO 486 N -0.02 2.12 -0.05 2.72 0.04 -1.26 -4.87 135.00 133.68 2jfk s PRO 486 Ca 0.11 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 2jfk s PRO 486 Cb -0.12 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 2jfk s PRO 486 CO 0.01 -1.72 2.04 0.00 0.04 0.00 0.00 177.00 177.37 2jfk s ALA 487 N -2.91 3.31 -0.58 8.56 0.00 -1.26 -4.89 121.76 123.99 2jfk s ALA 487 Ca 0.61 1.14 -0.00 0.00 0.00 0.00 0.00 51.96 53.72 2jfk s ALA 487 Cb -0.17 -3.92 0.15 0.00 0.00 0.00 0.00 23.12 19.18 2jfk s ALA 487 CO 0.56 -1.96 0.36 0.20 0.00 0.00 0.00 175.76 174.92 2jfk s GLY 488 N 5.65 2.46 -0.60 0.00 0.00 -1.26 -4.90 107.32 108.68 2jfk s GLY 488 Ca 0.92 -3.24 -0.07 0.00 0.00 0.00 0.00 44.72 42.34 2jfk s GLY 488 CO 0.39 1.06 0.45 1.85 0.00 0.00 0.00 173.10 176.86 2jfk s GLU 489 N -0.10 2.69 -0.22 2.90 2.56 -1.26 -5.08 118.70 120.18 2jfk s GLU 489 Ca 0.17 -2.23 -0.01 0.00 0.00 0.00 0.00 54.97 52.89 2jfk s GLU 489 Cb -0.22 -3.91 0.02 0.00 2.00 0.00 0.00 34.13 32.01 2jfk s GLU 489 CO -0.02 -1.19 -0.09 1.03 -0.56 0.00 0.00 175.26 174.42 2jfk s ARG 490 N 0.51 2.99 0.35 4.30 0.52 -1.26 -4.97 118.95 121.39 2jfk s ARG 490 Ca 0.13 -0.87 -0.27 0.00 -0.52 0.00 0.00 55.73 54.21 2jfk s ARG 490 Cb -0.20 -2.89 -0.09 0.00 0.52 0.00 0.00 34.95 32.29 2jfk s ARG 490 CO -0.04 -0.31 1.10 -1.25 0.02 0.00 0.00 175.30 174.82 2jfk s PRO 491 N 1.35 4.35 -0.21 3.54 0.04 -1.26 -4.78 135.00 138.02 2jfk s PRO 491 Ca 0.02 1.71 -0.09 0.00 0.04 0.00 0.00 61.00 62.69 2jfk s PRO 491 Cb -0.15 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 2jfk s PRO 491 CO -0.06 -0.03 0.11 -1.17 0.04 0.00 0.00 177.00 175.88 2jfk s LEU 492 N -2.10 3.92 -0.01 -3.56 2.96 -1.26 -0.16 118.68 118.47 2jfk s LEU 492 Ca 0.52 0.07 0.08 0.00 -0.22 0.00 0.00 54.13 54.58 2jfk s LEU 492 Cb -0.28 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2jfk s LEU 492 CO 0.36 0.11 -0.26 0.26 -1.32 0.00 0.00 176.35 175.50 2jfk s TRP 493 N 0.77 2.33 -0.17 5.38 0.52 0.07 -0.15 118.94 127.69 2jfk s TRP 493 Ca 0.05 -0.44 -0.05 0.00 0.02 0.00 0.00 56.10 55.69 2jfk s TRP 493 Cb -0.13 -1.49 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 2jfk s TRP 493 CO 0.02 -0.03 0.00 -0.06 0.02 0.00 0.00 176.95 176.91 2jfk s PHE 494 N -0.62 3.11 -0.24 -1.98 2.99 -0.63 -1.15 117.98 119.46 2jfk s PHE 494 Ca 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 56.93 56.84 2jfk s PHE 494 Cb -0.10 -2.01 0.01 0.00 0.00 0.00 0.00 43.02 40.92 2jfk s PHE 494 CO -0.01 0.03 -0.03 0.42 -0.00 0.00 0.00 175.22 175.63 2jfk s ILE 495 N 0.38 3.21 -0.32 0.64 -1.09 -0.41 -1.24 121.20 122.38 2jfk s ILE 495 Ca -0.01 -0.78 -0.13 0.00 -2.23 0.00 0.00 60.65 57.50 2jfk s ILE 495 Cb -0.13 -2.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 2jfk s ILE 495 CO 0.02 0.27 0.26 0.00 -1.23 0.00 0.00 174.94 174.26 2jfk s SER 497 N 1.73 4.50 0.00 0.00 0.01 -0.97 -1.04 113.70 117.93 2jfk s SER 497 Ca 0.08 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.14 2jfk s SER 497 Cb -0.17 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.77 2jfk s SER 497 CO 0.11 -1.91 0.00 0.61 0.41 0.00 0.00 173.24 172.46 2jfk n GLY 498 N -3.28 2.58 3.87 3.44 0.00 -1.09 -3.00 105.19 107.71 2jfk n GLY 498 Ca 0.08 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 2jfk n GLY 498 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jfk s MET 499 N 4.79 3.43 0.00 1.61 -1.94 -1.26 -4.17 119.30 121.76 2jfk s MET 499 Ca 0.00 0.71 0.00 0.00 -1.71 0.00 0.00 55.69 54.69 2jfk s MET 499 Cb 0.00 -2.06 0.00 0.00 2.01 0.00 0.00 34.83 34.78 2jfk s MET 499 CO 0.00 -0.68 0.00 0.41 -0.01 0.00 0.00 175.02 174.74 2jfk n GLY 500 N -2.76 0.76 0.44 -0.03 0.00 -1.26 -4.93 105.19 97.41 2jfk n GLY 500 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 2jfk n GLY 500 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jfk n THR 501 N -2.00 0.01 -2.27 2.61 -2.24 -1.26 -4.93 114.28 104.20 2jfk n THR 501 Ca 0.00 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 2jfk n THR 501 Cb 0.00 0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 68.63 2jfk n THR 501 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jfk s GLN 502 N -1.99 3.49 -0.07 -0.78 0.00 -1.26 -3.85 119.66 115.20 2jfk s GLN 502 Ca 0.39 1.34 -0.30 0.00 -0.00 0.00 0.00 55.36 56.79 2jfk s GLN 502 Cb 0.21 -2.05 0.10 0.00 0.00 0.00 0.00 33.01 31.27 2jfk s GLN 502 CO 0.33 -0.69 0.83 1.67 0.00 0.00 0.00 175.29 177.44 2jfk s TRP 503 N -2.15 -0.49 -0.10 9.60 1.48 -1.26 -5.06 118.94 120.97 2jfk s TRP 503 Ca 0.67 0.72 -0.29 0.00 -1.06 0.00 0.00 56.10 56.13 2jfk s TRP 503 Cb -0.18 0.46 -0.04 0.00 -1.16 0.00 0.00 33.47 32.55 2jfk s TRP 503 CO 0.29 -0.52 1.55 0.50 -4.06 0.00 0.00 176.95 174.71 2jfk s ARG 504 N -1.69 4.15 0.00 3.25 3.52 -1.26 -1.74 118.95 125.18 2jfk s ARG 504 Ca -0.04 2.00 0.00 0.00 -0.13 0.00 0.00 55.73 57.56 2jfk s ARG 504 Cb -0.00 -3.94 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 2jfk s ARG 504 CO 0.02 -0.86 0.00 0.41 -0.81 0.00 0.00 175.30 174.06 2jfk n GLY 505 N 4.06 0.53 2.25 8.12 0.00 -1.25 -4.94 105.19 113.95 2jfk n GLY 505 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2jfk n GLY 505 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jfk n MET 506 N -1.52 0.00 -0.89 1.61 2.81 -0.71 -2.03 117.12 116.38 2jfk n MET 506 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2jfk n MET 506 Cb 0.00 -0.93 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 2jfk n MET 506 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jfk n GLY 507 N 1.74 0.70 0.17 3.03 0.00 -1.26 -4.81 105.19 104.76 2jfk n GLY 507 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 2jfk n GLY 507 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jfk h LEU 508 N 0.00 0.00 -0.12 0.99 3.38 -1.76 -2.12 115.31 115.68 2jfk h LEU 508 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2jfk h LEU 508 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 2jfk h LEU 508 CO 0.00 0.48 -0.68 -1.28 0.09 0.00 0.00 178.44 177.05 2jfk h SER 509 N 0.00 0.79 0.56 -0.43 0.87 -1.89 -3.02 113.55 110.43 2jfk h SER 509 Ca -0.00 -0.65 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 2jfk h SER 509 Cb 0.85 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2jfk h SER 509 CO 0.06 1.32 0.00 0.18 -0.53 0.00 0.00 176.83 177.86 2jfk n LEU 510 N -4.07 0.50 0.31 2.23 4.77 -1.09 -2.68 117.00 116.97 2jfk n LEU 510 Ca -0.08 0.64 0.18 0.00 -0.03 0.00 0.00 56.01 56.72 2jfk n LEU 510 Cb 0.69 -0.59 1.00 0.00 -2.33 0.00 0.00 43.42 42.20 2jfk n LEU 510 CO 0.50 -0.55 1.12 -0.03 -1.33 0.00 0.00 177.39 177.10 2jfk h MET 511 N 0.00 0.00 0.00 3.23 4.05 -1.25 -0.84 114.93 120.12 2jfk h MET 511 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2jfk h MET 511 Cb 0.28 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2jfk h MET 511 CO 0.00 0.02 -0.04 0.00 0.23 0.00 0.00 176.91 177.12 2jfk h ARG 512 N 0.00 0.00 -5.97 0.39 3.08 -1.69 -3.39 114.38 106.80 2jfk h ARG 512 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2jfk h ARG 512 Cb 0.11 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 2jfk h ARG 512 CO 0.00 0.04 0.17 -0.51 -1.07 0.00 0.00 179.97 178.61 2jfk s LEU 513 N -6.73 4.26 0.16 3.04 1.43 -0.32 -4.96 118.68 115.55 2jfk s LEU 513 Ca -0.03 1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 54.07 2jfk s LEU 513 Cb 0.13 -3.11 0.04 0.00 0.03 0.00 0.00 46.19 43.28 2jfk s LEU 513 CO 0.51 -0.21 1.75 0.44 0.23 0.00 0.00 176.35 179.07 2jfk h ASP 514 N 7.00 0.64 0.09 2.29 3.32 -1.79 -1.57 116.42 126.41 2jfk h ASP 514 Ca -0.37 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 2jfk h ASP 514 Cb 1.17 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 2jfk h ASP 514 CO 0.78 0.58 -0.10 -0.09 -1.72 0.00 0.00 179.24 178.69 2jfk h ARG 515 N 0.66 0.01 0.07 3.56 9.65 -1.93 0.28 114.38 126.68 2jfk h ARG 515 Ca 0.17 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.05 2jfk h ARG 515 Cb 0.09 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 2jfk h ARG 515 CO -0.02 0.10 -0.03 0.35 2.80 0.00 0.00 179.97 183.16 2jfk h PHE 516 N 0.01 -0.09 -0.28 2.20 3.04 -1.62 -1.80 116.94 118.40 2jfk h PHE 516 Ca 0.00 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 2jfk h PHE 516 Cb 0.17 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 2jfk h PHE 516 CO 0.00 0.47 -0.21 0.07 -2.02 0.00 0.00 178.31 176.62 2jfk h ARG 517 N -0.76 0.52 -0.35 1.11 -0.00 -0.85 -0.31 114.38 113.74 2jfk h ARG 517 Ca -0.01 -0.18 0.03 0.00 -0.00 0.00 0.00 59.98 59.81 2jfk h ARG 517 Cb 0.60 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.97 30.50 2jfk h ARG 517 CO 0.02 0.70 0.17 -0.44 -0.00 0.00 0.00 179.97 180.41 2jfk h ASP 518 N 0.47 0.24 -0.50 0.08 3.45 -0.53 0.64 116.42 120.26 2jfk h ASP 518 Ca 0.07 0.02 0.08 0.00 0.43 0.00 0.00 57.03 57.63 2jfk h ASP 518 Cb 0.62 -0.03 -0.06 0.00 -0.56 0.00 0.00 39.33 39.30 2jfk h ASP 518 CO 0.04 0.18 0.14 -1.28 -1.57 0.00 0.00 179.24 176.75 2jfk h SER 519 N 0.35 0.09 -0.51 6.45 0.87 -0.55 -0.07 113.55 120.18 2jfk h SER 519 Ca 0.15 0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.66 2jfk h SER 519 Cb 0.06 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2jfk h SER 519 CO -0.10 0.07 -0.15 0.40 -0.53 0.00 0.00 176.83 176.52 2jfk h ILE 520 N 0.29 1.27 -0.38 2.23 1.08 -0.59 -1.30 117.51 120.11 2jfk h ILE 520 Ca 0.25 -1.31 -0.09 0.00 -0.39 0.00 0.00 64.86 63.33 2jfk h ILE 520 Cb 0.31 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 2jfk h ILE 520 CO -0.29 0.46 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.44 2jfk h LEU 521 N 0.88 0.66 -0.96 1.44 3.38 -0.47 0.87 115.31 121.12 2jfk h LEU 521 Ca 0.13 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2jfk h LEU 521 Cb 0.72 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 2jfk h LEU 521 CO 0.06 0.81 0.61 -0.09 0.09 0.00 0.00 178.44 179.91 2jfk h ARG 522 N 0.61 1.28 -0.40 1.13 1.12 -0.78 -2.24 114.38 115.11 2jfk h ARG 522 Ca 0.11 -0.09 -0.11 0.00 -1.11 0.00 0.00 59.98 58.77 2jfk h ARG 522 Cb 0.56 -0.28 -0.01 0.00 -0.01 0.00 0.00 29.97 30.23 2jfk h ARG 522 CO 0.04 0.87 -0.18 0.77 -3.11 0.00 0.00 179.97 178.35 2jfk h SER 523 N 1.31 0.84 -0.95 -3.80 0.02 -0.28 -2.32 113.55 108.37 2jfk h SER 523 Ca 0.35 -0.40 0.23 0.00 -0.84 0.00 0.00 61.79 61.12 2jfk h SER 523 Cb -0.11 -0.23 -0.12 0.00 0.14 0.00 0.00 62.40 62.08 2jfk h SER 523 CO -0.07 1.06 0.51 0.44 -1.14 0.00 0.00 176.83 177.63 2jfk h ASP 524 N 0.63 0.55 -0.70 3.07 5.19 -0.46 -1.79 116.42 122.90 2jfk h ASP 524 Ca 0.09 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 2jfk h ASP 524 Cb 0.73 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.27 2jfk h ASP 524 CO 0.06 0.09 0.31 -0.33 -3.12 0.00 0.00 179.24 176.24 2jfk h GLU 525 N 0.53 1.04 -0.43 3.56 4.39 -0.85 0.33 114.58 123.15 2jfk h GLU 525 Ca 0.60 -0.17 0.11 0.00 0.34 0.00 0.00 59.36 60.23 2jfk h GLU 525 Cb 1.10 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 2jfk h GLU 525 CO -0.48 0.84 0.30 0.00 -1.16 0.00 0.00 179.01 178.51 2jfk h ALA 526 N 1.14 2.31 -0.28 3.43 0.00 -1.16 -2.78 119.26 121.92 2jfk h ALA 526 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2jfk h ALA 526 Cb 0.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jfk h ALA 526 CO -0.02 -0.42 0.00 0.28 0.00 0.00 0.00 179.25 179.08 2jfk n VAL 527 N -4.43 1.22 -0.17 0.00 0.31 -0.58 -4.60 118.33 110.07 2jfk n VAL 527 Ca 0.07 -1.16 -0.02 0.00 -0.01 0.00 0.00 64.34 63.22 2jfk n VAL 527 Cb 0.45 0.37 0.07 0.00 -0.91 0.00 0.00 33.84 33.83 2jfk n VAL 527 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2jfk h LYS 528 N 1.70 0.25 -7.38 5.55 1.57 -0.10 -2.09 116.57 116.07 2jfk h LYS 528 Ca 0.00 -0.01 -0.50 0.00 -1.87 0.00 0.00 60.65 58.27 2jfk h LYS 528 Cb 0.82 -0.06 0.11 0.00 0.08 0.00 0.00 32.23 33.18 2jfk h LYS 528 CO 0.03 0.16 0.34 -1.25 -0.57 0.00 0.00 179.45 178.17 2jfk s PRO 529 N -6.13 2.29 0.00 3.15 0.04 -1.26 -2.01 135.00 131.08 2jfk s PRO 529 Ca -0.13 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.69 2jfk s PRO 529 Cb 0.16 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2jfk s PRO 529 CO 0.73 -1.51 0.00 1.19 0.04 0.00 0.00 177.00 177.45 2jfk n PHE 530 N -3.38 0.00 -2.99 0.56 0.99 -1.26 -4.31 117.46 107.08 2jfk n PHE 530 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.41 2jfk n PHE 530 Cb 0.55 -0.13 0.04 0.00 -1.00 0.00 0.00 39.48 38.94 2jfk n PHE 530 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2jfk n GLY 531 N -1.90 0.14 3.22 1.37 0.00 -0.85 -5.04 105.19 102.13 2jfk n GLY 531 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 2jfk n GLY 531 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfk s LEU 532 N -4.26 2.22 -0.18 0.99 1.43 -0.79 -5.06 118.68 113.03 2jfk s LEU 532 Ca 0.23 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 2jfk s LEU 532 Cb -0.10 -0.79 0.04 0.00 0.03 0.00 0.00 46.19 45.37 2jfk s LEU 532 CO 0.38 0.07 -0.10 -0.54 0.23 0.00 0.00 176.35 176.38 2jfk s LYS 533 N -1.43 1.99 0.13 1.70 3.01 -1.26 -3.66 119.74 120.22 2jfk s LYS 533 Ca 0.04 -0.69 -0.21 0.00 -1.01 0.00 0.00 55.97 54.10 2jfk s LYS 533 Cb -0.09 -2.24 -0.03 0.00 -1.01 0.00 0.00 37.83 34.46 2jfk s LYS 533 CO 0.02 -0.37 1.69 0.28 0.51 0.00 0.00 175.35 177.48 2jfk h VAL 534 N 6.29 0.71 -0.98 3.17 2.07 -1.88 -1.65 116.25 123.98 2jfk h VAL 534 Ca -0.30 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.54 2jfk h VAL 534 Cb 1.11 0.71 -0.16 0.00 -1.52 0.00 0.00 31.29 31.43 2jfk h VAL 534 CO 0.48 0.00 0.47 0.77 0.02 0.00 0.00 177.57 179.30 2jfk h SER 535 N -0.09 0.32 0.66 0.57 4.64 -1.96 0.13 113.55 117.82 2jfk h SER 535 Ca 0.09 0.21 -0.19 0.00 -0.47 0.00 0.00 61.79 61.43 2jfk h SER 535 Cb 0.23 0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2jfk h SER 535 CO -0.21 -0.21 -0.86 1.56 -0.87 0.00 0.00 176.83 176.24 2jfk h GLN 536 N 0.23 0.13 -0.01 4.77 7.50 -1.74 -1.47 115.11 124.51 2jfk h GLN 536 Ca 0.71 -0.15 -0.00 0.00 0.50 0.00 0.00 58.65 59.72 2jfk h GLN 536 Cb 1.64 0.04 -0.00 0.00 0.05 0.00 0.00 27.48 29.22 2jfk h GLN 536 CO -0.66 0.91 0.01 -0.07 -1.50 0.00 0.00 178.83 177.51 2jfk h LEU 537 N 0.07 0.02 -0.60 1.46 3.38 -0.31 -0.61 115.31 118.72 2jfk h LEU 537 Ca -0.03 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2jfk h LEU 537 Cb 1.48 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.17 2jfk h LEU 537 CO 0.12 0.05 0.28 -0.07 0.09 0.00 0.00 178.44 178.92 2jfk h LEU 538 N -0.02 0.37 -1.25 1.67 3.38 -1.01 -2.31 115.31 116.15 2jfk h LEU 538 Ca 0.01 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2jfk h LEU 538 Cb 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2jfk h LEU 538 CO -0.00 0.24 -0.15 -0.07 0.09 0.00 0.00 178.44 178.55 2jfk h LEU 539 N 0.52 0.00 -9.31 1.67 3.38 -0.98 -3.34 115.31 107.25 2jfk h LEU 539 Ca 0.28 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.59 2jfk h LEU 539 Cb 0.26 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.06 2jfk h LEU 539 CO -0.23 0.15 0.52 -0.24 0.09 0.00 0.00 178.44 178.74 2jfk n SER 540 N -3.31 1.91 -0.83 -0.43 2.88 -0.26 -4.85 113.62 108.72 2jfk n SER 540 Ca 0.00 1.11 0.08 0.00 -1.33 0.00 0.00 58.87 58.73 2jfk n SER 540 Cb 0.38 -1.23 0.22 0.00 -0.75 0.00 0.00 64.21 62.83 2jfk n SER 540 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2jfk n THR 541 N 2.73 0.58 -2.71 2.46 -2.24 -1.26 -4.61 114.28 109.22 2jfk n THR 541 Ca 0.18 -0.60 -0.43 0.00 -2.27 0.00 0.00 64.05 60.94 2jfk n THR 541 Cb 0.21 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 2jfk n THR 541 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jfk s ASP 542 N -1.06 6.80 0.46 3.42 -1.08 -1.26 -4.93 116.67 119.02 2jfk s ASP 542 Ca 0.31 0.82 0.19 0.00 -0.52 0.00 0.00 52.55 53.35 2jfk s ASP 542 Cb 0.16 -2.51 1.17 0.00 -1.46 0.00 0.00 42.92 40.28 2jfk s ASP 542 CO 0.22 -0.88 1.93 -0.33 0.52 0.00 0.00 175.17 176.63 2jfk h GLU 543 N 8.31 0.28 -0.47 4.34 3.07 -2.02 -2.14 114.58 125.94 2jfk h GLU 543 Ca -0.22 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 2jfk h GLU 543 Cb 1.07 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 2jfk h GLU 543 CO 1.01 0.18 0.00 -1.13 -1.40 0.00 0.00 179.01 177.68 2jfk n SER 544 N -4.44 3.01 -0.23 1.42 3.41 -1.26 -4.51 113.62 111.02 2jfk n SER 544 Ca 0.14 -1.96 -0.04 0.00 -0.26 0.00 0.00 58.87 56.75 2jfk n SER 544 Cb 0.58 -0.31 0.07 0.00 -0.26 0.00 0.00 64.21 64.29 2jfk n SER 544 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jfk h THR 545 N 3.54 1.10 -0.30 6.66 1.03 -1.79 -1.32 112.91 121.83 2jfk h THR 545 Ca 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 66.12 2jfk h THR 545 Cb 0.80 0.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.08 2jfk h THR 545 CO 0.00 0.15 0.00 0.49 -0.01 0.00 0.00 175.52 176.15 2jfk n PHE 546 N -4.68 0.44 0.24 0.00 3.01 -1.26 -3.30 117.46 111.91 2jfk n PHE 546 Ca 0.07 -0.21 0.13 0.00 1.01 0.00 0.00 57.45 58.44 2jfk n PHE 546 Cb 0.07 -0.02 0.51 0.00 -0.01 0.00 0.00 39.48 40.03 2jfk n PHE 546 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2jfk h ASP 547 N 1.76 0.00 -3.11 4.37 5.19 -1.53 -3.41 116.42 119.69 2jfk h ASP 547 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 2jfk h ASP 547 Cb 0.46 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.93 2jfk h ASP 547 CO 0.01 0.12 0.71 -0.62 -3.12 0.00 0.00 179.24 176.35 2jfk s ASP 548 N -6.00 7.10 0.42 6.45 2.15 -1.21 -4.95 116.67 120.63 2jfk s ASP 548 Ca 0.01 1.63 0.09 0.00 0.43 0.00 0.00 52.55 54.72 2jfk s ASP 548 Cb 0.09 -2.55 0.92 0.00 -0.30 0.00 0.00 42.92 41.08 2jfk s ASP 548 CO 0.61 -0.59 2.03 -0.29 -0.17 0.00 0.00 175.17 176.76 2jfk h ILE 549 N 5.20 1.10 0.06 4.11 2.10 -1.91 -1.48 117.51 126.68 2jfk h ILE 549 Ca -0.29 -0.32 -0.00 0.00 1.08 0.00 0.00 64.86 65.32 2jfk h ILE 549 Cb 1.13 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 37.66 2jfk h ILE 549 CO 0.91 0.12 -0.03 0.58 -1.08 0.00 0.00 178.15 178.65 2jfk h VAL 550 N 0.35 1.27 -0.51 2.19 2.07 -1.92 -0.94 116.25 118.77 2jfk h VAL 550 Ca 0.09 -1.26 0.09 0.00 0.82 0.00 0.00 66.70 66.43 2jfk h VAL 550 Cb 0.08 2.08 -0.10 0.00 -1.52 0.00 0.00 31.29 31.83 2jfk h VAL 550 CO -0.01 0.31 -0.38 0.45 0.02 0.00 0.00 177.57 177.96 2jfk h HIS 551 N -0.66 -1.08 0.44 1.57 3.86 -1.77 -0.32 115.15 117.20 2jfk h HIS 551 Ca -0.01 0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2jfk h HIS 551 Cb 0.56 0.55 -0.00 0.00 1.06 0.00 0.00 27.41 29.57 2jfk h HIS 551 CO 0.11 -0.41 -0.29 0.77 0.86 0.00 0.00 177.93 178.97 2jfk h SER 552 N -0.23 -0.75 -0.57 2.45 0.02 -1.29 -0.87 113.55 112.30 2jfk h SER 552 Ca 0.19 0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.30 2jfk h SER 552 Cb 0.56 0.22 -0.10 0.00 0.14 0.00 0.00 62.40 63.23 2jfk h SER 552 CO -0.63 -0.44 -0.03 -0.26 -1.14 0.00 0.00 176.83 174.34 2jfk h PHE 553 N -0.69 -0.09 -0.46 3.45 -1.00 -0.87 0.20 116.94 117.47 2jfk h PHE 553 Ca -0.06 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 2jfk h PHE 553 Cb 0.56 0.13 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 2jfk h PHE 553 CO -0.04 -0.17 0.24 0.28 -1.61 0.00 0.00 178.31 177.01 2jfk h VAL 554 N 0.09 1.18 -0.27 -0.55 2.07 -1.07 -2.25 116.25 115.45 2jfk h VAL 554 Ca 0.29 -0.48 -0.18 0.00 0.82 0.00 0.00 66.70 67.15 2jfk h VAL 554 Cb 0.46 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2jfk h VAL 554 CO -0.51 0.19 -0.55 0.28 0.02 0.00 0.00 177.57 177.00 2jfk h SER 555 N 0.61 0.92 0.19 0.57 0.02 0.50 -0.32 113.55 116.03 2jfk h SER 555 Ca 0.16 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2jfk h SER 555 Cb 0.09 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2jfk h SER 555 CO -0.02 1.28 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.68 2jfk h LEU 556 N 0.63 -0.54 -0.72 5.07 3.38 -0.70 -0.85 115.31 121.58 2jfk h LEU 556 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jfk h LEU 556 Cb 1.15 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 2jfk h LEU 556 CO 0.12 -0.30 0.46 0.74 0.09 0.00 0.00 178.44 179.56 2jfk h THR 557 N -0.43 1.19 -0.50 0.22 2.02 -1.32 0.12 112.91 114.21 2jfk h THR 557 Ca 0.00 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2jfk h THR 557 Cb 0.41 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2jfk h THR 557 CO -0.05 0.19 0.32 0.00 0.37 0.00 0.00 175.52 176.35 2jfk h ALA 558 N 1.25 0.64 -0.52 6.16 0.00 -0.94 -0.27 119.26 125.58 2jfk h ALA 558 Ca 0.26 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2jfk h ALA 558 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2jfk h ALA 558 CO -0.05 0.10 -0.00 0.82 0.00 0.00 0.00 179.25 180.11 2jfk h ILE 559 N 0.67 1.26 -0.34 0.00 2.04 -0.44 -1.31 117.51 119.40 2jfk h ILE 559 Ca 0.18 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2jfk h ILE 559 Cb -0.05 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2jfk h ILE 559 CO -0.04 0.39 0.15 1.56 0.00 0.00 0.00 178.15 180.21 2jfk h GLN 560 N 0.79 0.47 -0.35 2.37 4.20 -0.33 -1.33 115.11 120.93 2jfk h GLN 560 Ca 0.15 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.64 2jfk h GLN 560 Cb 0.53 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2jfk h GLN 560 CO 0.03 0.38 -0.44 0.82 -0.67 0.00 0.00 178.83 178.95 2jfk h ILE 561 N 0.47 1.27 0.48 2.54 2.04 -0.62 -0.78 117.51 122.92 2jfk h ILE 561 Ca 0.12 -1.62 -0.02 0.00 1.00 0.00 0.00 64.86 64.34 2jfk h ILE 561 Cb 0.08 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2jfk h ILE 561 CO -0.01 0.53 -0.27 1.23 0.00 0.00 0.00 178.15 179.63 2jfk h GLY 562 N 0.78 -0.73 -0.06 5.37 0.00 -0.91 0.14 103.07 107.66 2jfk h GLY 562 Ca 0.05 0.29 0.12 0.00 0.00 0.00 0.00 47.33 47.79 2jfk h GLY 562 CO 0.10 -0.27 -0.04 1.41 0.00 0.00 0.00 176.54 177.74 2jfk h LEU 563 N -0.69 -0.35 -1.05 3.11 3.38 -1.20 0.18 115.31 118.69 2jfk h LEU 563 Ca -0.06 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2jfk h LEU 563 Cb 0.56 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 2jfk h LEU 563 CO 0.08 -0.13 0.64 0.40 0.09 0.00 0.00 178.44 179.51 2jfk h ILE 564 N 0.08 1.24 -0.33 1.22 2.04 -0.73 -0.74 117.51 120.29 2jfk h ILE 564 Ca 0.30 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2jfk h ILE 564 Cb 0.48 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2jfk h ILE 564 CO -0.54 0.24 0.12 0.44 0.00 0.00 0.00 178.15 178.42 2jfk h ASP 565 N 1.30 0.47 -0.45 1.72 3.32 0.12 -0.11 116.42 122.78 2jfk h ASP 565 Ca 0.36 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.26 2jfk h ASP 565 Cb -0.13 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 2jfk h ASP 565 CO -0.08 0.52 0.25 -0.07 -1.72 0.00 0.00 179.24 178.13 2jfk h LEU 566 N 0.39 0.38 -0.78 1.55 3.38 -0.18 0.53 115.31 120.58 2jfk h LEU 566 Ca 0.11 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2jfk h LEU 566 Cb 0.20 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2jfk h LEU 566 CO -0.01 0.27 0.31 -0.07 0.09 0.00 0.00 178.44 179.04 2jfk h LEU 567 N 0.50 1.07 -0.89 1.67 3.38 -0.87 -2.72 115.31 117.45 2jfk h LEU 567 Ca 0.19 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2jfk h LEU 567 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2jfk h LEU 567 CO -0.11 0.95 -0.30 0.28 0.09 0.00 0.00 178.44 179.35 2jfk h SER 568 N 1.13 0.47 0.28 -0.43 0.02 -0.57 -2.46 113.55 111.98 2jfk h SER 568 Ca 0.26 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2jfk h SER 568 Cb 0.21 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2jfk h SER 568 CO -0.02 0.75 0.00 0.00 -1.14 0.00 0.00 176.83 176.42 2jfk n MET 570 N -1.88 3.24 -1.63 0.00 2.81 -0.95 -4.77 117.12 113.93 2jfk n MET 570 Ca 0.01 -2.61 -0.05 0.00 -1.81 0.00 0.00 57.70 53.23 2jfk n MET 570 Cb 0.10 -1.69 -0.01 0.00 -0.71 0.00 0.00 33.22 30.91 2jfk n MET 570 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jfk n GLY 571 N 0.43 0.47 3.54 3.03 0.00 0.17 -4.56 105.19 108.27 2jfk n GLY 571 Ca 0.20 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 2jfk n GLY 571 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfk s LEU 572 N -1.34 4.08 -0.22 0.99 1.43 -1.05 -5.03 118.68 117.54 2jfk s LEU 572 Ca 0.00 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 2jfk s LEU 572 Cb 0.00 -2.98 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 2jfk s LEU 572 CO 0.00 -1.13 0.23 -0.60 0.23 0.00 0.00 176.35 175.09 2jfk s ARG 573 N 3.80 4.11 0.37 1.70 3.52 -1.26 -4.44 118.95 126.75 2jfk s ARG 573 Ca 0.33 -0.12 -0.27 0.00 -0.13 0.00 0.00 55.73 55.54 2jfk s ARG 573 Cb -0.12 -3.53 -0.09 0.00 -1.56 0.00 0.00 34.95 29.66 2jfk s ARG 573 CO 0.22 0.06 1.25 -1.25 -0.81 0.00 0.00 175.30 174.77 2jfk s PRO 574 N 1.06 4.17 0.24 5.12 0.04 -1.26 -4.87 135.00 139.50 2jfk s PRO 574 Ca 0.11 2.06 0.15 0.00 0.04 0.00 0.00 61.00 63.36 2jfk s PRO 574 Cb -0.14 -2.87 0.02 0.00 0.04 0.00 0.00 34.50 31.56 2jfk s PRO 574 CO 0.05 -0.29 1.34 -0.44 0.04 0.00 0.00 177.00 177.70 2jfk h ASP 575 N 2.99 0.00 -5.12 6.66 3.32 -0.92 -3.47 116.42 119.88 2jfk h ASP 575 Ca -0.49 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 2jfk h ASP 575 Cb 1.23 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.63 2jfk h ASP 575 CO 0.64 0.52 -0.35 -0.83 -1.72 0.00 0.00 179.24 177.50 2jfk s GLY 576 N -4.52 0.03 -0.02 2.75 0.00 -1.04 -4.68 107.32 99.84 2jfk s GLY 576 Ca 0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 2jfk s GLY 576 CO 0.76 -0.62 0.06 -0.42 0.00 0.00 0.00 173.10 172.88 2jfk s ILE 577 N -3.34 -0.01 -0.13 0.90 1.01 0.02 -1.61 121.20 118.04 2jfk s ILE 577 Ca 0.01 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 2jfk s ILE 577 Cb 0.02 -0.10 0.05 0.00 0.01 0.00 0.00 42.46 42.45 2jfk s ILE 577 CO -0.08 0.02 0.31 -0.69 0.00 0.00 0.00 174.94 174.50 2jfk s VAL 578 N 0.28 -0.03 0.33 2.92 1.01 -0.38 -1.52 120.40 123.02 2jfk s VAL 578 Ca -0.02 0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.16 2jfk s VAL 578 Cb -0.03 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 2jfk s VAL 578 CO -0.01 0.05 0.08 -0.83 0.00 0.00 0.00 175.10 174.39 2jfk s GLY 579 N 1.23 1.98 -0.17 4.51 0.00 -1.26 -1.21 107.32 112.39 2jfk s GLY 579 Ca -0.09 -1.87 -0.00 0.00 0.00 0.00 0.00 44.72 42.76 2jfk s GLY 579 CO -0.09 -1.81 -0.06 -1.58 0.00 0.00 0.00 173.10 169.55 2jfk s HIS 580 N -2.46 1.81 0.00 1.90 2.46 -0.21 -4.64 115.29 114.16 2jfk s HIS 580 Ca 0.36 -1.16 0.00 0.00 0.47 0.00 0.00 55.06 54.73 2jfk s HIS 580 Cb -0.02 -1.37 0.00 0.00 -0.13 0.00 0.00 32.58 31.07 2jfk s HIS 580 CO 0.21 -0.63 0.00 -1.13 -2.47 0.00 0.00 174.74 170.72 2jfk n SER 581 N 4.85 0.00 0.05 9.88 3.41 -1.26 -0.55 113.62 129.99 2jfk n SER 581 Ca -0.12 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.64 2jfk n SER 581 Cb 0.48 0.00 0.64 0.00 -0.26 0.00 0.00 64.21 65.07 2jfk n SER 581 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2jfk h LEU 582 N 0.00 0.07 -1.74 1.04 5.85 -1.91 -0.16 115.31 118.46 2jfk h LEU 582 Ca 0.00 0.00 0.26 0.00 0.84 0.00 0.00 57.88 58.98 2jfk h LEU 582 Cb 0.00 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2jfk h LEU 582 CO 0.00 0.04 0.82 1.23 -0.34 0.00 0.00 178.44 180.19 2jfk h GLY 583 N 0.07 0.00 2.00 3.75 0.00 -0.73 0.26 103.07 108.43 2jfk h GLY 583 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 2jfk h GLY 583 CO -0.01 0.00 -0.00 0.83 0.00 0.00 0.00 176.54 177.35 2jfk h GLU 584 N 0.00 0.00 0.72 4.80 5.08 -1.19 -1.54 114.58 122.46 2jfk h GLU 584 Ca 0.42 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.74 2jfk h GLU 584 Cb 2.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.32 2jfk h GLU 584 CO -0.00 0.00 -0.35 0.28 -1.00 0.00 0.00 179.01 177.94 2jfk h VAL 585 N 0.00 0.00 -0.94 3.13 2.07 -0.67 -2.92 116.25 116.91 2jfk h VAL 585 Ca -0.00 -0.28 0.27 0.00 0.82 0.00 0.00 66.70 67.50 2jfk h VAL 585 Cb 0.27 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.90 2jfk h VAL 585 CO 0.00 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.01 2jfk h ALA 586 N -1.27 1.61 -0.92 1.67 0.00 -1.65 0.37 119.26 119.07 2jfk h ALA 586 Ca -0.10 0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.13 2jfk h ALA 586 Cb 0.74 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2jfk h ALA 586 CO 0.16 -0.47 0.59 0.00 0.00 0.00 0.00 179.25 179.54 2jfk h GLY 588 N 0.83 1.06 0.94 0.00 0.00 -0.73 0.11 103.07 105.27 2jfk h GLY 588 Ca 0.46 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 2jfk h GLY 588 CO -0.22 0.57 0.01 -1.82 0.00 0.00 0.00 176.54 175.08 2jfk h TYR 589 N 0.92 0.02 0.00 5.60 5.03 -1.06 0.11 116.97 127.59 2jfk h TYR 589 Ca 0.21 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.49 2jfk h TYR 589 Cb 0.26 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.53 2jfk h TYR 589 CO 0.02 0.08 -0.15 0.00 -1.32 0.00 0.00 178.16 176.78 2jfk h ALA 590 N 0.94 1.47 0.00 1.82 0.00 -0.75 -2.33 119.26 120.41 2jfk h ALA 590 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jfk h ALA 590 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jfk h ALA 590 CO -0.00 0.19 -0.45 -3.47 0.00 0.00 0.00 179.25 175.52 2jfk n ASP 591 N -3.96 0.50 0.00 0.00 2.03 0.35 -4.94 116.55 110.53 2jfk n ASP 591 Ca -0.02 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2jfk n ASP 591 Cb 0.24 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 2jfk n ASP 591 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jfk n GLY 592 N 1.44 0.52 0.12 0.27 0.00 -0.51 -4.80 105.19 102.23 2jfk n GLY 592 Ca 0.05 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 2jfk n GLY 592 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jfk s LEU 594 N -7.75 2.83 0.96 0.00 1.43 -0.93 -4.41 118.68 110.82 2jfk s LEU 594 Ca -0.17 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 2jfk s LEU 594 Cb 0.02 -1.59 0.17 0.00 0.03 0.00 0.00 46.19 44.83 2jfk s LEU 594 CO 0.78 0.34 1.11 -0.94 0.23 0.00 0.00 176.35 177.88 2jfk s SER 595 N -0.71 2.98 0.17 2.29 1.04 -1.26 -3.83 113.70 114.37 2jfk s SER 595 Ca 0.11 1.08 -0.15 0.00 0.48 0.00 0.00 55.95 57.47 2jfk s SER 595 Cb -0.11 -1.70 0.08 0.00 0.10 0.00 0.00 66.02 64.39 2jfk s SER 595 CO 0.01 -2.89 1.79 -0.61 0.98 0.00 0.00 173.24 172.51 2jfk h GLN 596 N -1.73 0.46 -0.53 4.02 4.15 -1.98 -0.23 115.11 119.26 2jfk h GLN 596 Ca -0.53 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 58.74 2jfk h GLN 596 Cb 1.33 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 2jfk h GLN 596 CO 0.60 0.30 -0.14 1.49 -1.93 0.00 0.00 178.83 179.15 2jfk h GLU 597 N 0.47 1.04 -0.16 1.69 4.81 -1.94 -0.16 114.58 120.33 2jfk h GLU 597 Ca 0.19 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2jfk h GLU 597 Cb 0.07 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2jfk h GLU 597 CO -0.12 1.09 0.09 0.93 -0.73 0.00 0.00 179.01 180.27 2jfk h GLU 598 N 0.91 0.22 -0.38 1.92 5.08 -1.86 -1.90 114.58 118.56 2jfk h GLU 598 Ca 0.13 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2jfk h GLU 598 Cb 0.72 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2jfk h GLU 598 CO 0.05 0.22 0.19 0.00 -1.00 0.00 0.00 179.01 178.48 2jfk h ALA 599 N 0.98 0.49 -0.35 3.43 0.00 -0.63 -0.69 119.26 122.50 2jfk h ALA 599 Ca 0.06 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2jfk h ALA 599 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jfk h ALA 599 CO -0.01 0.05 -0.16 0.28 0.00 0.00 0.00 179.25 179.41 2jfk h VAL 600 N 0.48 1.29 -0.25 0.00 2.07 -1.02 -2.64 116.25 116.18 2jfk h VAL 600 Ca 0.13 -1.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.30 2jfk h VAL 600 Cb 0.11 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2jfk h VAL 600 CO -0.02 0.42 -0.21 -0.07 0.02 0.00 0.00 177.57 177.71 2jfk h LEU 601 N 0.50 0.45 -0.59 2.57 3.38 -1.19 -0.11 115.31 120.32 2jfk h LEU 601 Ca 0.08 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2jfk h LEU 601 Cb 0.69 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 2jfk h LEU 601 CO 0.05 0.67 0.32 0.00 0.09 0.00 0.00 178.44 179.57 2jfk h ALA 602 N 1.37 0.77 -0.85 1.53 0.00 -1.01 0.46 119.26 121.54 2jfk h ALA 602 Ca 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2jfk h ALA 602 Cb 0.59 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2jfk h ALA 602 CO 0.04 0.00 0.41 0.00 0.00 0.00 0.00 179.25 179.71 2jfk h ALA 603 N 1.30 1.13 0.26 0.00 0.00 -0.97 -1.88 119.26 119.10 2jfk h ALA 603 Ca 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jfk h ALA 603 Cb 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2jfk h ALA 603 CO -0.16 0.66 -0.13 -0.92 0.00 0.00 0.00 179.25 178.71 2jfk h TYR 604 N 1.20 -0.33 -0.42 0.00 3.20 -0.34 -2.68 116.97 117.61 2jfk h TYR 604 Ca 0.29 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 2jfk h TYR 604 Cb 0.11 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2jfk h TYR 604 CO 0.01 -0.09 -0.03 -1.49 -1.64 0.00 0.00 178.16 174.93 2jfk h TRP 605 N -0.53 0.83 -0.71 -3.82 4.06 -0.89 0.23 115.95 115.13 2jfk h TRP 605 Ca -0.04 -0.16 0.15 0.00 2.06 0.00 0.00 58.89 60.91 2jfk h TRP 605 Cb 0.39 -0.21 -0.13 0.00 -1.00 0.00 0.00 29.16 28.21 2jfk h TRP 605 CO -0.01 0.84 -0.09 -0.09 -3.56 0.00 0.00 178.44 175.53 2jfk h ARG 606 N 0.59 0.04 -0.10 0.49 2.43 -1.40 0.39 114.38 116.83 2jfk h ARG 606 Ca 0.11 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2jfk h ARG 606 Cb 0.53 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2jfk h ARG 606 CO 0.03 0.03 -0.31 0.78 -1.51 0.00 0.00 179.97 178.98 2jfk h GLY 607 N 0.05 0.42 1.01 2.80 0.00 -1.07 -3.16 103.07 103.12 2jfk h GLY 607 Ca 0.36 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 2jfk h GLY 607 CO -0.68 0.49 0.10 -1.61 0.00 0.00 0.00 176.54 174.84 2jfk h GLN 608 N -0.07 0.92 -0.50 4.80 5.75 -0.09 -1.28 115.11 124.65 2jfk h GLN 608 Ca -0.01 -0.24 0.04 0.00 -0.15 0.00 0.00 58.65 58.29 2jfk h GLN 608 Cb 0.94 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.34 2jfk h GLN 608 CO 0.07 0.88 0.25 0.00 -2.65 0.00 0.00 178.83 177.38 2jfk h ILE 610 N 0.49 0.55 -0.72 0.00 2.04 -1.47 -1.93 117.51 116.48 2jfk h ILE 610 Ca 0.22 -0.04 0.14 0.00 1.00 0.00 0.00 64.86 66.18 2jfk h ILE 610 Cb 0.13 0.57 -0.14 0.00 -0.74 0.00 0.00 36.82 36.65 2jfk h ILE 610 CO -0.16 0.01 -0.20 0.50 0.00 0.00 0.00 178.15 178.30 2jfk h LYS 611 N -0.64 -0.02 -0.11 2.37 3.64 -1.06 0.20 116.57 120.96 2jfk h LYS 611 Ca -0.06 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2jfk h LYS 611 Cb 0.48 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2jfk h LYS 611 CO 0.10 -0.01 -0.17 0.93 -2.27 0.00 0.00 179.45 178.03 2jfk h GLU 612 N -0.02 0.18 0.00 1.90 5.08 -1.23 -3.28 114.58 117.21 2jfk h GLU 612 Ca 0.34 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2jfk h GLU 612 Cb 0.54 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2jfk h GLU 612 CO -0.75 0.35 -0.01 0.00 -1.00 0.00 0.00 179.01 177.60 2jfk h ALA 613 N 1.67 1.07 -6.13 3.43 0.00 0.23 -3.47 119.26 116.05 2jfk h ALA 613 Ca 0.03 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 2jfk h ALA 613 Cb 0.40 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jfk h ALA 613 CO 0.03 0.01 -0.70 0.72 0.00 0.00 0.00 179.25 179.31 2jfk n HIS 614 N -3.19 -1.25 -2.19 0.00 8.25 -1.24 -4.96 115.22 110.65 2jfk n HIS 614 Ca -0.02 0.50 -0.27 0.00 -0.26 0.00 0.00 57.72 57.68 2jfk n HIS 614 Cb 0.13 -1.70 0.06 0.00 1.12 0.00 0.00 29.99 29.60 2jfk n HIS 614 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jfk s LEU 615 N -3.92 2.89 0.85 2.41 1.43 -1.26 -5.07 118.68 116.00 2jfk s LEU 615 Ca 0.01 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.61 2jfk s LEU 615 Cb -0.00 -3.30 0.11 0.00 0.03 0.00 0.00 46.19 43.02 2jfk s LEU 615 CO 0.56 -1.48 1.13 -2.84 0.23 0.00 0.00 176.35 173.95 2jfk s PRO 616 N -5.23 1.56 0.00 1.29 0.02 -1.26 -4.93 135.00 126.44 2jfk s PRO 616 Ca 0.59 1.42 -0.30 0.00 0.02 0.00 0.00 61.00 62.72 2jfk s PRO 616 Cb -0.11 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.55 2jfk s PRO 616 CO 0.46 -2.21 1.61 -1.25 -0.33 0.00 0.00 177.00 175.28 2jfk s PRO 617 N -4.70 4.21 0.52 5.54 0.04 -1.26 -4.91 135.00 134.43 2jfk s PRO 617 Ca 0.65 2.20 0.02 0.00 0.04 0.00 0.00 61.00 63.91 2jfk s PRO 617 Cb -0.21 -3.77 -0.00 0.00 0.04 0.00 0.00 34.50 30.56 2jfk s PRO 617 CO 0.56 -0.75 0.07 0.20 0.04 0.00 0.00 177.00 177.12 2jfk s GLY 618 N 2.72 2.92 -0.06 0.56 0.00 0.88 -1.49 107.32 112.85 2jfk s GLY 618 Ca 0.72 -0.53 -0.31 0.00 0.00 0.00 0.00 44.72 44.60 2jfk s GLY 618 CO 0.30 -2.16 0.72 0.00 0.00 0.00 0.00 173.10 171.96 2jfk s ALA 619 N -2.86 -1.79 0.24 3.20 0.00 0.33 -3.95 121.76 116.94 2jfk s ALA 619 Ca 0.11 1.35 0.09 0.00 0.00 0.00 0.00 51.96 53.51 2jfk s ALA 619 Cb 0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2jfk s ALA 619 CO 0.06 -0.36 -0.15 -1.64 0.00 0.00 0.00 175.76 173.66 2jfk s MET 620 N -1.18 1.49 -0.14 0.00 -1.94 -1.26 -1.65 119.30 114.62 2jfk s MET 620 Ca -0.10 -1.69 -0.10 0.00 -1.71 0.00 0.00 55.69 52.09 2jfk s MET 620 Cb -0.00 -1.37 0.04 0.00 2.01 0.00 0.00 34.83 35.51 2jfk s MET 620 CO 0.09 0.22 0.35 0.00 -0.01 0.00 0.00 175.02 175.67 2jfk s ALA 621 N -2.80 -0.88 0.20 3.03 0.00 -0.73 -1.28 121.76 119.31 2jfk s ALA 621 Ca 0.26 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 2jfk s ALA 621 Cb -0.02 -0.69 -0.09 0.00 0.00 0.00 0.00 23.12 22.32 2jfk s ALA 621 CO 0.11 -0.20 1.25 0.00 0.00 0.00 0.00 175.76 176.92 2jfk s ALA 622 N 0.72 3.48 -0.01 0.00 0.00 0.15 -1.44 121.76 124.66 2jfk s ALA 622 Ca -0.04 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.94 2jfk s ALA 622 Cb -0.05 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2jfk s ALA 622 CO -0.05 -0.46 0.04 0.08 0.00 0.00 0.00 175.76 175.37 2jfk s VAL 623 N -0.09 0.02 -0.33 0.00 1.01 0.12 -1.23 120.40 119.90 2jfk s VAL 623 Ca 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 2jfk s VAL 623 Cb -0.35 -0.12 0.22 0.00 0.00 0.00 0.00 36.38 36.13 2jfk s VAL 623 CO 0.39 -0.10 2.01 0.61 0.00 0.00 0.00 175.10 178.01 2jfk n GLY 624 N 2.75 4.14 3.69 4.51 0.00 -0.46 -2.11 105.19 117.69 2jfk n GLY 624 Ca -0.15 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 2jfk n GLY 624 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfk s LEU 625 N -1.87 3.08 0.71 0.99 1.43 -1.25 -4.86 118.68 116.91 2jfk s LEU 625 Ca 0.32 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 2jfk s LEU 625 Cb 0.25 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 45.06 2jfk s LEU 625 CO -0.00 -0.36 1.08 -0.94 0.23 0.00 0.00 176.35 176.36 2jfk s SER 626 N -3.80 5.26 0.09 2.29 1.04 -1.26 -3.48 113.70 113.84 2jfk s SER 626 Ca 0.37 0.98 -0.30 0.00 0.48 0.00 0.00 55.95 57.49 2jfk s SER 626 Cb 0.01 -1.74 -0.14 0.00 0.10 0.00 0.00 66.02 64.25 2jfk s SER 626 CO 0.21 -1.42 1.64 -0.25 0.98 0.00 0.00 173.24 174.40 2jfk h TRP 627 N -0.66 -0.72 -0.62 5.02 -0.00 -1.88 0.29 115.95 117.37 2jfk h TRP 627 Ca -0.45 -0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.36 2jfk h TRP 627 Cb 1.27 0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 30.68 2jfk h TRP 627 CO 0.46 -0.41 0.09 0.93 -0.00 0.00 0.00 178.44 179.51 2jfk h GLU 628 N -0.63 1.02 -0.85 2.65 5.08 -1.95 -0.32 114.58 119.59 2jfk h GLU 628 Ca -0.03 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 2jfk h GLU 628 Cb 0.55 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2jfk h GLU 628 CO -0.01 0.94 0.41 1.49 -1.00 0.00 0.00 179.01 180.85 2jfk h GLU 629 N 0.96 1.22 0.42 2.33 4.81 -1.91 -1.47 114.58 120.93 2jfk h GLU 629 Ca 0.19 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2jfk h GLU 629 Cb 0.42 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2jfk h GLU 629 CO 0.01 0.93 -0.20 0.00 -0.73 0.00 0.00 179.01 179.02 2jfk h LYS 631 N -0.63 0.02 -0.02 0.00 2.10 -0.71 0.35 116.57 117.68 2jfk h LYS 631 Ca -0.06 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2jfk h LYS 631 Cb 0.47 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2jfk h LYS 631 CO 0.09 0.01 -0.01 1.96 -2.00 0.00 0.00 179.45 179.51 2jfk h GLN 632 N 0.02 0.04 0.00 0.07 4.20 -1.23 -3.32 115.11 114.90 2jfk h GLN 632 Ca 0.37 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.06 2jfk h GLN 632 Cb 0.60 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2jfk h GLN 632 CO -0.74 0.47 0.00 0.00 -0.67 0.00 0.00 178.83 177.89 2jfk h ARG 633 N -0.38 0.00 -6.64 1.46 2.47 -0.17 -3.46 114.38 107.65 2jfk h ARG 633 Ca 0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 2jfk h ARG 633 Cb 0.45 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 28.83 2jfk h ARG 633 CO 0.00 0.00 0.94 0.00 0.56 0.00 0.00 179.97 181.47 2jfk s PRO 635 N 1.04 2.13 0.37 0.00 0.04 -1.26 -4.92 135.00 132.40 2jfk s PRO 635 Ca 0.72 1.19 -0.27 0.00 0.04 0.00 0.00 61.00 62.67 2jfk s PRO 635 Cb -0.47 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 2jfk s PRO 635 CO 0.33 -1.74 1.29 -1.25 0.04 0.00 0.00 177.00 175.66 2jfk s PRO 636 N -4.89 4.14 0.00 0.56 0.04 -1.26 -2.17 135.00 131.42 2jfk s PRO 636 Ca 0.62 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.79 2jfk s PRO 636 Cb -0.18 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.49 2jfk s PRO 636 CO 0.56 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.67 2jfk n GLY 637 N 0.72 1.36 3.35 0.56 0.00 -1.26 -5.01 105.19 104.91 2jfk n GLY 637 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2jfk n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfk s VAL 638 N -3.08 2.76 0.04 1.61 1.01 -0.92 -4.17 120.40 117.65 2jfk s VAL 638 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2jfk s VAL 638 Cb 0.00 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 2jfk s VAL 638 CO 0.00 0.55 -0.10 0.68 0.00 0.00 0.00 175.10 176.23 2jfk s VAL 639 N 0.11 0.74 0.15 2.92 -7.23 0.21 -4.56 120.40 112.72 2jfk s VAL 639 Ca -0.08 -1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.75 2jfk s VAL 639 Cb -0.15 -0.74 -0.08 0.00 0.56 0.00 0.00 36.38 35.97 2jfk s VAL 639 CO 0.05 -0.24 1.28 -2.16 -0.31 0.00 0.00 175.10 173.72 2jfk s PRO 640 N -1.41 4.41 0.00 4.82 0.04 -1.26 0.07 135.00 141.67 2jfk s PRO 640 Ca -0.05 1.96 0.01 0.00 0.04 0.00 0.00 61.00 62.96 2jfk s PRO 640 Cb -0.09 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2jfk s PRO 640 CO 0.01 -0.26 0.38 0.00 0.04 0.00 0.00 177.00 177.17 2jfk n ALA 641 N 3.18 2.39 -3.04 8.56 0.00 0.14 -4.87 120.51 126.86 2jfk n ALA 641 Ca 0.08 -0.35 0.04 0.00 0.00 0.00 0.00 53.44 53.20 2jfk n ALA 641 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2jfk n ALA 641 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2jfk s HIS 643 N -0.46 -0.73 -0.16 0.00 2.46 -0.15 0.24 115.29 116.49 2jfk s HIS 643 Ca 0.01 0.31 0.02 0.00 0.47 0.00 0.00 55.06 55.87 2jfk s HIS 643 Cb 0.01 0.13 -0.23 0.00 -0.13 0.00 0.00 32.58 32.36 2jfk s HIS 643 CO 0.03 -0.45 0.21 0.09 -2.47 0.00 0.00 174.74 172.15 2jfk n ASN 644 N 4.67 1.65 -3.70 9.88 3.02 -0.55 -0.75 115.26 129.48 2jfk n ASN 644 Ca 0.08 0.12 -0.09 0.00 -0.03 0.00 0.00 54.58 54.66 2jfk n ASN 644 Cb 0.59 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 2jfk n ASN 644 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jfk s SER 645 N -6.57 -0.04 0.45 6.41 1.04 -0.88 -4.06 113.70 110.04 2jfk s SER 645 Ca -0.22 -0.90 0.23 0.00 0.48 0.00 0.00 55.95 55.55 2jfk s SER 645 Cb 0.07 0.69 1.23 0.00 0.10 0.00 0.00 66.02 68.12 2jfk s SER 645 CO 0.74 -1.32 1.80 0.07 0.98 0.00 0.00 173.24 175.51 2jfk h LYS 646 N 2.11 0.26 -0.30 4.02 -0.00 -1.95 -1.90 116.57 118.81 2jfk h LYS 646 Ca -0.25 -0.02 -0.24 0.00 -0.00 0.00 0.00 60.65 60.14 2jfk h LYS 646 Cb 1.25 -0.06 -0.32 0.00 -0.00 0.00 0.00 32.23 33.10 2jfk h LYS 646 CO 0.32 0.17 -0.89 -0.25 -0.00 0.00 0.00 179.45 178.80 2jfk n ASP 647 N -4.48 2.24 -3.68 7.07 9.92 -1.26 -4.11 116.55 122.25 2jfk n ASP 647 Ca 0.24 -2.84 -0.28 0.00 -0.53 0.00 0.00 54.79 51.37 2jfk n ASP 647 Cb 0.93 -0.41 -0.16 0.00 -0.64 0.00 0.00 41.12 40.84 2jfk n ASP 647 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2jfk s THR 648 N -2.87 0.38 -0.07 -3.53 2.01 -0.71 -3.93 115.64 106.91 2jfk s THR 648 Ca 0.37 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.70 2jfk s THR 648 Cb 0.37 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.78 2jfk s THR 648 CO -0.06 -0.42 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.59 2jfk s VAL 649 N 1.90 2.74 -0.20 3.82 1.01 -0.90 -1.48 120.40 127.30 2jfk s VAL 649 Ca 0.04 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 2jfk s VAL 649 Cb -0.17 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2jfk s VAL 649 CO -0.17 0.57 0.42 -0.89 0.00 0.00 0.00 175.10 175.02 2jfk s THR 650 N -0.25 5.18 0.39 3.92 2.01 -1.26 -0.71 115.64 124.93 2jfk s THR 650 Ca 0.00 0.76 -0.00 0.00 0.31 0.00 0.00 61.69 62.76 2jfk s THR 650 Cb -0.13 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2jfk s THR 650 CO 0.03 0.24 0.61 0.27 -0.69 0.00 0.00 174.62 175.08 2jfk s ILE 651 N 1.35 4.73 -0.02 1.82 -4.36 -0.52 0.25 121.20 124.44 2jfk s ILE 651 Ca 0.20 -0.40 -0.05 0.00 -0.26 0.00 0.00 60.65 60.14 2jfk s ILE 651 Cb -0.15 -3.74 0.00 0.00 1.25 0.00 0.00 42.46 39.83 2jfk s ILE 651 CO 0.08 -0.52 0.12 -0.55 0.24 0.00 0.00 174.94 174.31 2jfk s SER 652 N -4.10 -0.02 0.00 4.36 0.15 0.11 -1.77 113.70 112.43 2jfk s SER 652 Ca 0.43 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2jfk s SER 652 Cb -0.10 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2jfk s SER 652 CO 0.38 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2jfk n GLY 653 N 2.16 -0.92 3.77 9.45 0.00 -0.66 -0.62 105.19 118.37 2jfk n GLY 653 Ca -0.18 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 2jfk n GLY 653 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jfk s PRO 654 N -0.85 3.06 0.19 1.61 0.02 -1.26 -0.51 135.00 137.26 2jfk s PRO 654 Ca 0.00 1.56 -0.13 0.00 0.02 0.00 0.00 61.00 62.45 2jfk s PRO 654 Cb 0.00 -1.97 0.20 0.00 0.02 0.00 0.00 34.50 32.75 2jfk s PRO 654 CO 0.00 -1.08 1.68 0.37 -0.33 0.00 0.00 177.00 177.65 2jfk h GLN 655 N 0.67 0.12 0.39 5.54 4.15 -1.47 -1.82 115.11 122.69 2jfk h GLN 655 Ca -0.49 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 58.91 2jfk h GLN 655 Cb 1.26 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2jfk h GLN 655 CO 0.55 0.08 -0.19 0.00 -1.93 0.00 0.00 178.83 177.34 2jfk h ALA 656 N 1.45 -0.65 -0.93 3.38 0.00 -1.93 -1.47 119.26 119.11 2jfk h ALA 656 Ca 0.26 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.23 2jfk h ALA 656 Cb 0.39 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 2jfk h ALA 656 CO -0.42 -0.62 0.60 -1.00 0.00 0.00 0.00 179.25 177.81 2jfk h PRO 657 N -0.89 0.58 -0.10 0.00 0.13 -1.95 0.16 132.00 129.92 2jfk h PRO 657 Ca -0.05 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 2jfk h PRO 657 Cb 0.40 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.40 2jfk h PRO 657 CO 0.09 0.38 -0.09 0.28 -0.23 0.00 0.00 178.00 178.43 2jfk h VAL 658 N 0.59 1.35 0.05 1.56 2.07 -1.41 -0.26 116.25 120.21 2jfk h VAL 658 Ca 0.49 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2jfk h VAL 658 Cb 0.96 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2jfk h VAL 658 CO -0.24 0.35 -0.06 0.15 0.02 0.00 0.00 177.57 177.78 2jfk h PHE 659 N -0.15 -0.16 -0.85 1.57 3.57 -0.76 0.18 116.94 120.32 2jfk h PHE 659 Ca 0.02 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.64 2jfk h PHE 659 Cb 0.59 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 2jfk h PHE 659 CO 0.08 -0.10 0.55 0.93 -2.23 0.00 0.00 178.31 177.55 2jfk h GLU 660 N -0.14 0.69 -0.04 1.11 4.39 -0.71 -0.19 114.58 119.69 2jfk h GLU 660 Ca 0.01 -0.04 -0.23 0.00 0.34 0.00 0.00 59.36 59.44 2jfk h GLU 660 Cb 0.14 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2jfk h GLU 660 CO -0.03 0.46 -0.90 0.35 -1.16 0.00 0.00 179.01 177.73 2jfk h PHE 661 N 0.71 0.78 0.60 4.33 3.57 -0.31 -1.81 116.94 124.81 2jfk h PHE 661 Ca 0.41 -0.40 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2jfk h PHE 661 Cb 0.61 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2jfk h PHE 661 CO -0.00 1.21 -0.44 0.28 -2.23 0.00 0.00 178.31 177.13 2jfk h VAL 662 N 0.33 0.12 -0.93 1.41 2.07 0.17 -1.88 116.25 117.55 2jfk h VAL 662 Ca -0.08 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.66 2jfk h VAL 662 Cb 1.52 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 2jfk h VAL 662 CO 0.17 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 178.04 2jfk h GLU 663 N -1.00 0.41 -0.00 1.57 3.07 -1.04 -0.94 114.58 116.65 2jfk h GLU 663 Ca -0.07 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2jfk h GLU 663 Cb 0.84 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 2jfk h GLU 663 CO 0.03 0.27 -0.01 0.37 -1.40 0.00 0.00 179.01 178.27 2jfk h GLN 664 N 0.42 0.01 -0.87 2.33 4.15 -1.10 -3.06 115.11 116.99 2jfk h GLN 664 Ca 0.49 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.90 2jfk h GLN 664 Cb 1.21 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.86 2jfk h GLN 664 CO -0.20 0.63 0.51 -0.07 -1.93 0.00 0.00 178.83 177.77 2jfk h LEU 665 N -0.61 1.05 -0.37 -2.39 3.38 -0.66 -2.51 115.31 113.19 2jfk h LEU 665 Ca -0.00 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2jfk h LEU 665 Cb 0.63 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 2jfk h LEU 665 CO 0.00 0.81 -0.04 0.03 0.09 0.00 0.00 178.44 179.34 2jfk h ARG 666 N 1.20 0.06 -1.08 1.13 3.08 -1.27 0.34 114.38 117.84 2jfk h ARG 666 Ca 0.31 -0.00 0.29 0.00 0.07 0.00 0.00 59.98 60.65 2jfk h ARG 666 Cb -0.03 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 29.93 2jfk h ARG 666 CO -0.06 0.04 0.73 0.87 -1.07 0.00 0.00 179.97 180.48 2jfk h LYS 667 N 0.06 0.20 -0.07 0.04 1.79 -1.34 -1.67 116.57 115.58 2jfk h LYS 667 Ca 0.18 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2jfk h LYS 667 Cb 0.27 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2jfk h LYS 667 CO -0.34 0.13 0.00 0.39 -1.08 0.00 0.00 179.45 178.56 2jfk n GLU 668 N -4.43 1.72 0.00 3.15 1.02 0.07 -4.91 120.64 117.26 2jfk n GLU 668 Ca 0.25 -1.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 2jfk n GLU 668 Cb 1.02 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 2jfk n GLU 668 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jfk n GLY 669 N 1.17 3.22 3.62 0.62 0.00 -0.63 -5.03 105.19 108.17 2jfk n GLY 669 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2jfk n GLY 669 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfk s VAL 670 N -2.61 3.60 -0.23 1.61 1.01 -0.95 -4.91 120.40 117.91 2jfk s VAL 670 Ca 0.00 0.66 -0.41 0.00 0.00 0.00 0.00 61.98 62.23 2jfk s VAL 670 Cb 0.00 -3.67 -0.17 0.00 0.00 0.00 0.00 36.38 32.53 2jfk s VAL 670 CO 0.00 -0.33 1.57 0.33 0.00 0.00 0.00 175.10 176.66 2jfk n PHE 671 N 9.05 1.74 -3.67 5.22 7.35 -1.26 -3.81 117.46 132.08 2jfk n PHE 671 Ca 0.20 0.75 -0.12 0.00 -0.76 0.00 0.00 57.45 57.53 2jfk n PHE 671 Cb 0.46 -2.34 -0.12 0.00 0.35 0.00 0.00 39.48 37.82 2jfk n PHE 671 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jfk s ALA 672 N 2.48 -0.75 -0.05 3.13 0.00 -1.26 -1.36 121.76 123.95 2jfk s ALA 672 Ca 0.97 1.14 0.01 0.00 0.00 0.00 0.00 51.96 54.08 2jfk s ALA 672 Cb -1.17 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 20.94 2jfk s ALA 672 CO 0.65 -0.57 -0.05 0.21 0.00 0.00 0.00 175.76 176.00 2jfk s LYS 673 N 2.21 0.94 0.09 0.00 2.20 -0.37 -4.92 119.74 119.89 2jfk s LYS 673 Ca -0.02 -0.13 -0.31 0.00 -0.36 0.00 0.00 55.97 55.15 2jfk s LYS 673 Cb -0.11 -0.94 -0.07 0.00 -1.51 0.00 0.00 37.83 35.19 2jfk s LYS 673 CO -0.10 -0.09 1.39 -2.00 -0.36 0.00 0.00 175.35 174.19 2jfk s GLU 674 N 0.98 4.32 -0.03 4.03 2.12 -1.26 -0.67 118.70 128.18 2jfk s GLU 674 Ca -0.10 2.05 -0.04 0.00 0.36 0.00 0.00 54.97 57.24 2jfk s GLU 674 Cb -0.14 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 2jfk s GLU 674 CO -0.00 -0.46 0.18 0.14 -0.54 0.00 0.00 175.26 174.58 2jfk s VAL 675 N 1.39 5.43 -0.37 3.70 -7.23 -0.40 -4.89 120.40 118.03 2jfk s VAL 675 Ca 0.64 -0.06 -0.29 0.00 -1.81 0.00 0.00 61.98 60.47 2jfk s VAL 675 Cb -0.35 -3.52 0.01 0.00 0.56 0.00 0.00 36.38 33.07 2jfk s VAL 675 CO 0.30 0.38 1.39 -0.60 -0.31 0.00 0.00 175.10 176.26 2jfk s ARG 676 N -1.76 3.68 -0.07 4.82 3.52 -1.26 -4.25 118.95 123.63 2jfk s ARG 676 Ca 0.25 1.06 0.11 0.00 -0.13 0.00 0.00 55.73 57.02 2jfk s ARG 676 Cb -0.13 -3.98 0.20 0.00 -1.56 0.00 0.00 34.95 29.48 2jfk s ARG 676 CO 0.16 -1.43 1.13 0.25 -0.81 0.00 0.00 175.30 174.60 2jfk n THR 677 N 6.80 1.50 -3.22 4.11 -2.24 -1.26 -4.95 114.28 115.02 2jfk n THR 677 Ca 0.16 -1.62 -0.23 0.00 -2.27 0.00 0.00 64.05 60.09 2jfk n THR 677 Cb 0.47 0.11 0.04 0.00 -2.10 0.00 0.00 70.33 68.86 2jfk n THR 677 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jfk n GLY 678 N -0.80 -0.53 2.20 3.38 0.00 -1.26 -2.15 105.19 106.03 2jfk n GLY 678 Ca 0.10 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 2jfk n GLY 678 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jfk n GLY 679 N -1.62 0.47 3.79 -0.02 0.00 -1.26 -5.01 105.19 101.54 2jfk n GLY 679 Ca -0.07 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 2jfk n GLY 679 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jfk s MET 680 N -0.89 3.00 -0.85 1.61 0.00 -0.91 -0.08 119.30 121.18 2jfk s MET 680 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 55.69 55.11 2jfk s MET 680 Cb 0.00 -2.80 0.22 0.00 0.00 0.00 0.00 34.83 32.25 2jfk s MET 680 CO 0.00 0.60 0.79 0.00 0.00 0.00 0.00 175.02 176.42 2jfk n ALA 681 N 0.75 3.90 -1.33 4.11 0.00 -1.26 -3.87 120.51 122.80 2jfk n ALA 681 Ca -0.10 -4.63 -0.30 0.00 0.00 0.00 0.00 53.44 48.40 2jfk n ALA 681 Cb 0.52 -1.53 0.10 0.00 0.00 0.00 0.00 19.45 18.54 2jfk n ALA 681 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jfk s PHE 682 N -1.68 2.62 -1.27 0.00 0.40 -1.26 -4.06 117.98 112.72 2jfk s PHE 682 Ca 0.29 1.39 -0.09 0.00 -0.60 0.00 0.00 56.93 57.93 2jfk s PHE 682 Cb -0.02 -3.06 -0.00 0.00 0.51 0.00 0.00 43.02 40.44 2jfk s PHE 682 CO -0.10 -1.88 0.63 0.72 0.70 0.00 0.00 175.22 175.29 2jfk n HIS 683 N -3.56 -1.81 -3.88 0.36 8.25 -1.17 -4.83 115.22 108.59 2jfk n HIS 683 Ca 0.08 0.64 -0.10 0.00 -0.26 0.00 0.00 57.72 58.09 2jfk n HIS 683 Cb 0.54 -3.74 0.00 0.00 1.12 0.00 0.00 29.99 27.91 2jfk n HIS 683 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2jfk s SER 684 N -3.99 0.12 0.53 0.41 1.04 -1.20 -4.42 113.70 106.18 2jfk s SER 684 Ca 0.20 -1.11 0.24 0.00 0.48 0.00 0.00 55.95 55.76 2jfk s SER 684 Cb -0.07 0.78 1.38 0.00 0.10 0.00 0.00 66.02 68.21 2jfk s SER 684 CO 0.86 -1.53 2.02 0.10 0.98 0.00 0.00 173.24 175.67 2jfk h TYR 685 N 2.04 0.00 -0.33 5.02 -0.00 -1.88 -1.86 116.97 119.96 2jfk h TYR 685 Ca -0.29 0.00 0.09 0.00 -0.00 0.00 0.00 58.73 58.53 2jfk h TYR 685 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.97 2jfk h TYR 685 CO 1.18 0.00 0.54 0.74 -0.00 0.00 0.00 178.16 180.62 2jfk h PHE 686 N 0.00 0.00 -0.00 0.10 -1.00 -1.96 -1.13 116.94 112.95 2jfk h PHE 686 Ca 0.21 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.99 2jfk h PHE 686 Cb 0.86 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.42 2jfk h PHE 686 CO 0.00 0.00 -0.51 -1.33 -1.61 0.00 0.00 178.31 174.86 2jfk n MET 687 N -3.31 0.36 0.24 1.51 2.81 -0.70 -4.21 117.12 113.83 2jfk n MET 687 Ca 0.06 -0.24 0.09 0.00 -1.81 0.00 0.00 57.70 55.80 2jfk n MET 687 Cb 0.68 -1.50 0.61 0.00 -0.71 0.00 0.00 33.22 32.30 2jfk n MET 687 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2jfk h GLU 688 N 0.58 0.00 0.00 0.03 3.07 -1.37 -1.50 114.58 115.39 2jfk h GLU 688 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2jfk h GLU 688 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2jfk h GLU 688 CO 0.00 0.15 0.00 0.00 -1.40 0.00 0.00 179.01 177.76 2jfk h ALA 689 N 1.85 1.00 0.00 3.43 0.00 -1.78 -2.91 119.26 120.85 2jfk h ALA 689 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jfk h ALA 689 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jfk h ALA 689 CO 0.02 0.00 -1.00 -0.89 0.00 0.00 0.00 179.25 177.38 2jfk n ILE 690 N -2.72 0.00 0.24 0.00 5.41 -0.57 -4.55 119.36 117.18 2jfk n ILE 690 Ca -0.02 -0.05 -0.14 0.00 1.00 0.00 0.00 62.75 63.54 2jfk n ILE 690 Cb 0.10 0.95 -0.08 0.00 -0.71 0.00 0.00 39.64 39.90 2jfk n ILE 690 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jfk h ALA 691 N 2.81 -0.62 -0.35 -1.39 0.00 -1.55 -2.36 119.26 115.80 2jfk h ALA 691 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.79 2jfk h ALA 691 Cb 0.50 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 2jfk h ALA 691 CO 0.00 -0.73 -0.04 -1.35 0.00 0.00 0.00 179.25 177.13 2jfk h PRO 692 N -0.87 0.05 -0.40 0.00 0.11 -1.80 0.33 132.00 129.42 2jfk h PRO 692 Ca -0.06 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 2jfk h PRO 692 Cb 0.58 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 2jfk h PRO 692 CO 0.10 0.03 0.13 -1.00 -0.21 0.00 0.00 178.00 177.06 2jfk h PRO 693 N 0.05 0.62 -0.42 1.05 0.13 -1.84 -2.32 132.00 129.28 2jfk h PRO 693 Ca 0.17 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2jfk h PRO 693 Cb 0.25 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 2jfk h PRO 693 CO -0.32 0.62 0.19 1.25 -0.23 0.00 0.00 178.00 179.50 2jfk h LEU 694 N 0.51 0.56 -1.37 1.56 5.85 -1.05 -1.78 115.31 119.59 2jfk h LEU 694 Ca 0.13 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2jfk h LEU 694 Cb 0.25 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2jfk h LEU 694 CO -0.01 0.55 0.44 0.25 -0.34 0.00 0.00 178.44 179.34 2jfk h LEU 695 N 0.53 0.72 -0.19 2.25 5.85 -0.34 0.10 115.31 124.23 2jfk h LEU 695 Ca 0.14 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2jfk h LEU 695 Cb 0.15 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2jfk h LEU 695 CO -0.02 0.51 0.03 -0.61 -0.34 0.00 0.00 178.44 178.01 2jfk h GLN 696 N 0.84 0.32 -0.26 1.25 4.15 -0.92 -1.54 115.11 118.96 2jfk h GLN 696 Ca 0.26 -0.09 -0.12 0.00 0.77 0.00 0.00 58.65 59.46 2jfk h GLN 696 Cb -0.01 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 2jfk h GLN 696 CO -0.07 0.48 -0.32 0.93 -1.93 0.00 0.00 178.83 177.93 2jfk h GLU 697 N 0.11 0.68 0.00 1.69 4.39 -0.69 -3.09 114.58 117.68 2jfk h GLU 697 Ca 0.06 -0.38 -0.08 0.00 0.34 0.00 0.00 59.36 59.30 2jfk h GLU 697 Cb 0.32 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2jfk h GLU 697 CO 0.00 1.00 -0.38 -0.07 -1.16 0.00 0.00 179.01 178.40 2jfk h LEU 698 N 0.41 0.00 -1.65 1.33 3.38 -0.88 -2.29 115.31 115.61 2jfk h LEU 698 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jfk h LEU 698 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2jfk h LEU 698 CO 0.08 0.38 0.16 0.11 0.09 0.00 0.00 178.44 179.26 2jfk h LYS 699 N 0.00 0.39 0.08 1.13 1.79 -1.19 0.14 116.57 118.90 2jfk h LYS 699 Ca -0.00 -0.03 -0.25 0.00 -2.18 0.00 0.00 60.65 58.19 2jfk h LYS 699 Cb 0.85 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 2jfk h LYS 699 CO 0.05 0.29 -1.13 0.87 -1.08 0.00 0.00 179.45 178.45 2jfk h LYS 700 N 0.40 0.18 0.18 3.15 1.57 -1.44 -3.37 116.57 117.24 2jfk h LYS 700 Ca 0.10 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2jfk h LYS 700 Cb 0.01 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2jfk h LYS 700 CO -0.02 1.13 -0.08 0.28 -0.57 0.00 0.00 179.45 180.19 2jfk h VAL 701 N 0.06 0.51 -2.95 0.50 2.07 -0.94 -3.38 116.25 112.11 2jfk h VAL 701 Ca -0.09 -1.07 -0.78 0.00 0.82 0.00 0.00 66.70 65.58 2jfk h VAL 701 Cb 1.86 0.89 -0.25 0.00 -1.52 0.00 0.00 31.29 32.27 2jfk h VAL 701 CO 0.17 0.14 0.85 -0.38 0.02 0.00 0.00 177.57 178.38 2jfk n ILE 702 N -4.92 4.62 -2.92 4.57 5.41 0.44 -4.90 119.36 121.66 2jfk n ILE 702 Ca -0.06 -5.26 -0.34 0.00 1.00 0.00 0.00 62.75 58.09 2jfk n ILE 702 Cb 0.21 -2.45 -0.07 0.00 -0.71 0.00 0.00 39.64 36.62 2jfk n ILE 702 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2jfk s ARG 703 N -0.77 4.27 -0.88 0.38 0.52 -1.26 -4.33 118.95 116.88 2jfk s ARG 703 Ca 0.34 1.04 -0.06 0.00 -0.52 0.00 0.00 55.73 56.54 2jfk s ARG 703 Cb -0.04 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 32.93 2jfk s ARG 703 CO -0.02 0.15 0.71 -1.91 0.02 0.00 0.00 175.30 174.25 2jfk n GLU 704 N -0.09 -1.42 -1.72 3.54 4.07 -1.26 -4.86 120.64 118.91 2jfk n GLU 704 Ca 0.04 1.00 -0.42 0.00 -0.06 0.00 0.00 57.16 57.71 2jfk n GLU 704 Cb 0.52 -4.42 -0.03 0.00 -0.06 0.00 0.00 31.44 27.45 2jfk n GLU 704 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 2jfk s PRO 705 N -4.36 4.13 0.37 5.31 0.02 -1.26 -4.99 135.00 134.22 2jfk s PRO 705 Ca 0.15 2.61 -0.08 0.00 0.02 0.00 0.00 61.00 63.70 2jfk s PRO 705 Cb -0.05 -3.35 -0.06 0.00 0.02 0.00 0.00 34.50 31.07 2jfk s PRO 705 CO 0.82 -0.80 0.69 0.15 -0.33 0.00 0.00 177.00 177.53 2jfk s LYS 706 N 2.00 3.70 0.35 5.54 1.02 -1.26 -4.90 119.74 126.19 2jfk s LYS 706 Ca 0.78 0.27 -0.21 0.00 0.02 0.00 0.00 55.97 56.83 2jfk s LYS 706 Cb -0.48 -2.48 -0.10 0.00 -0.52 0.00 0.00 37.83 34.25 2jfk s LYS 706 CO 0.34 0.04 0.88 -1.25 -0.92 0.00 0.00 175.35 174.44 2jfk s PRO 707 N -3.84 4.30 0.25 -1.68 0.04 -1.26 -2.71 135.00 130.10 2jfk s PRO 707 Ca 0.48 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 2jfk s PRO 707 Cb -0.10 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 31.85 2jfk s PRO 707 CO 0.32 0.15 1.09 1.03 0.04 0.00 0.00 177.00 179.64 2jfk s ARG 708 N -2.65 4.64 0.81 4.56 0.52 -0.38 -4.71 118.95 121.74 2jfk s ARG 708 Ca 0.55 1.77 -0.12 0.00 -0.52 0.00 0.00 55.73 57.41 2jfk s ARG 708 Cb -0.13 -3.21 0.08 0.00 0.52 0.00 0.00 34.95 32.20 2jfk s ARG 708 CO 0.18 0.19 1.14 -1.54 0.02 0.00 0.00 175.30 175.29 2jfk s SER 709 N -0.71 4.48 0.00 0.23 1.04 -1.26 -4.90 113.70 112.58 2jfk s SER 709 Ca 0.46 1.00 0.17 0.00 0.48 0.00 0.00 55.95 58.05 2jfk s SER 709 Cb -0.31 -1.62 0.73 0.00 0.10 0.00 0.00 66.02 64.91 2jfk s SER 709 CO 0.39 -1.94 1.54 0.00 0.98 0.00 0.00 173.24 174.21 2jfk n ALA 710 N -3.38 1.78 0.13 5.32 0.00 -1.26 -2.51 120.51 120.59 2jfk n ALA 710 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 2jfk n ALA 710 Cb 0.59 -1.27 0.15 0.00 0.00 0.00 0.00 19.45 18.92 2jfk n ALA 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jfk h ARG 711 N 0.00 0.03 -5.23 0.00 3.08 -1.92 -3.42 114.38 106.91 2jfk h ARG 711 Ca 0.00 -0.02 -0.67 0.00 0.07 0.00 0.00 59.98 59.36 2jfk h ARG 711 Cb 0.29 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.18 2jfk h ARG 711 CO 0.00 0.65 0.10 -0.46 -1.07 0.00 0.00 179.97 179.19 2jfk s TRP 712 N -3.59 3.05 -0.10 3.04 -0.00 -1.05 -0.80 118.94 119.49 2jfk s TRP 712 Ca -0.02 -0.25 -0.23 0.00 -0.00 0.00 0.00 56.10 55.60 2jfk s TRP 712 Cb 0.12 -3.42 -0.03 0.00 -0.00 0.00 0.00 33.47 30.14 2jfk s TRP 712 CO 0.77 -0.95 0.69 -0.51 -0.00 0.00 0.00 176.95 176.95 2jfk s LEU 713 N 2.77 4.27 0.27 5.86 1.43 -0.57 -4.85 118.68 127.85 2jfk s LEU 713 Ca 0.19 1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 54.10 2jfk s LEU 713 Cb -0.16 -3.04 -0.09 0.00 0.03 0.00 0.00 46.19 42.93 2jfk s LEU 713 CO 0.16 -0.17 1.01 -0.55 0.23 0.00 0.00 176.35 177.04 2jfk s SER 714 N 0.89 7.44 0.00 2.29 0.15 -1.26 -4.42 113.70 118.79 2jfk s SER 714 Ca 0.35 2.09 0.14 0.00 0.70 0.00 0.00 55.95 59.23 2jfk s SER 714 Cb -0.17 -2.62 0.03 0.00 -1.71 0.00 0.00 66.02 61.55 2jfk s SER 714 CO 0.16 -0.00 0.81 0.35 1.20 0.00 0.00 173.24 175.75 2jfk n THR 715 N 1.27 0.00 0.34 6.45 -2.24 -1.26 -4.48 114.28 114.36 2jfk n THR 715 Ca -0.01 -0.40 0.11 0.00 -2.27 0.00 0.00 64.05 61.48 2jfk n THR 715 Cb 0.46 1.19 -0.09 0.00 -2.10 0.00 0.00 70.33 69.79 2jfk n THR 715 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jfk n SER 716 N 0.08 0.43 -3.97 3.42 3.41 -1.26 0.48 113.62 116.21 2jfk n SER 716 Ca 0.06 -0.21 -0.29 0.00 -0.26 0.00 0.00 58.87 58.18 2jfk n SER 716 Cb 0.30 1.34 -0.17 0.00 -0.26 0.00 0.00 64.21 65.42 2jfk n SER 716 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2jfk s ILE 717 N -3.32 1.34 0.56 -1.33 1.01 -1.26 -4.81 121.20 113.38 2jfk s ILE 717 Ca -0.01 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 59.96 2jfk s ILE 717 Cb 0.14 -1.29 -0.07 0.00 0.01 0.00 0.00 42.46 41.26 2jfk s ILE 717 CO 0.86 0.42 0.93 -2.65 0.00 0.00 0.00 174.94 174.50 2jfk n PRO 718 N 4.83 0.97 -0.18 2.79 -0.02 -1.26 -4.75 135.00 137.38 2jfk n PRO 718 Ca -0.15 0.37 -0.02 0.00 -2.02 0.00 0.00 63.50 61.68 2jfk n PRO 718 Cb 0.50 -2.09 0.06 0.00 -0.02 0.00 0.00 33.50 31.95 2jfk n PRO 718 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2jfk h GLU 719 N 0.72 0.03 -1.26 -0.52 4.81 -1.98 0.14 114.58 116.52 2jfk h GLU 719 Ca -0.47 -0.00 0.37 0.00 -0.13 0.00 0.00 59.36 59.12 2jfk h GLU 719 Cb 1.36 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.65 2jfk h GLU 719 CO 0.52 0.02 0.86 0.00 -0.73 0.00 0.00 179.01 179.68 2jfk h ALA 720 N 1.53 2.83 -0.48 2.92 0.00 -2.03 0.19 119.26 124.22 2jfk h ALA 720 Ca 0.27 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jfk h ALA 720 Cb 0.42 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jfk h ALA 720 CO -0.54 -1.29 0.00 1.04 0.00 0.00 0.00 179.25 178.47 2jfk n GLN 721 N -4.42 3.88 0.26 0.00 6.02 0.47 -4.51 117.38 119.09 2jfk n GLN 721 Ca 0.30 -2.92 0.14 0.00 -0.01 0.00 0.00 57.00 54.51 2jfk n GLN 721 Cb 1.26 -1.98 0.68 0.00 1.02 0.00 0.00 30.24 31.22 2jfk n GLN 721 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 2jfk h TRP 722 N 3.21 0.00 -2.35 1.08 6.55 -0.32 -3.12 115.95 121.00 2jfk h TRP 722 Ca 0.00 0.00 -0.79 0.00 0.95 0.00 0.00 58.89 59.05 2jfk h TRP 722 Cb 1.60 0.00 -0.28 0.00 -0.86 0.00 0.00 29.16 29.62 2jfk h TRP 722 CO 0.77 0.10 0.89 0.72 -1.05 0.00 0.00 178.44 179.87 2jfk n HIS 723 N -3.34 2.77 -4.28 0.49 8.25 -1.26 -4.62 115.22 113.23 2jfk n HIS 723 Ca -0.01 -2.66 -0.15 0.00 -0.26 0.00 0.00 57.72 54.64 2jfk n HIS 723 Cb 0.30 -1.16 -0.10 0.00 1.12 0.00 0.00 29.99 30.15 2jfk n HIS 723 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2jfk s SER 724 N -1.55 1.37 0.20 0.41 1.04 -1.18 -5.05 113.70 108.94 2jfk s SER 724 Ca 0.38 -1.24 -0.09 0.00 0.48 0.00 0.00 55.95 55.49 2jfk s SER 724 Cb 0.17 0.10 0.12 0.00 0.10 0.00 0.00 66.02 66.51 2jfk s SER 724 CO -0.09 -0.59 1.73 0.28 0.98 0.00 0.00 173.24 175.55 2jfk h SER 725 N 2.56 1.03 -0.03 7.02 0.02 -1.93 0.11 113.55 122.33 2jfk h SER 725 Ca -0.37 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.39 2jfk h SER 725 Cb 1.22 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 2jfk h SER 725 CO 0.63 0.96 -0.09 0.25 -1.14 0.00 0.00 176.83 177.44 2jfk h LEU 726 N 1.04 -0.26 -1.76 5.07 5.85 -1.93 -2.40 115.31 120.93 2jfk h LEU 726 Ca 0.23 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2jfk h LEU 726 Cb 0.30 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2jfk h LEU 726 CO -0.01 -0.12 -0.03 0.00 -0.34 0.00 0.00 178.44 177.94 2jfk h ALA 727 N 0.88 1.03 -0.89 1.25 0.00 -1.71 -3.28 119.26 116.53 2jfk h ALA 727 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jfk h ALA 727 Cb 0.20 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2jfk h ALA 727 CO -0.11 0.04 0.59 0.07 0.00 0.00 0.00 179.25 179.83 2jfk h ARG 728 N 0.00 1.13 -4.69 0.00 -0.00 -0.25 -3.43 114.38 107.13 2jfk h ARG 728 Ca -0.00 -0.07 -0.24 0.00 -0.00 0.00 0.00 59.98 59.67 2jfk h ARG 728 Cb 0.42 -0.25 -0.15 0.00 -0.00 0.00 0.00 29.97 29.99 2jfk h ARG 728 CO 0.00 0.75 -0.69 0.95 -0.00 0.00 0.00 179.97 180.98 2jfk s THR 729 N -5.97 0.67 -1.37 0.08 -4.23 -1.24 -1.24 115.64 102.35 2jfk s THR 729 Ca -0.12 -1.95 -0.08 0.00 -1.18 0.00 0.00 61.69 58.36 2jfk s THR 729 Cb 0.18 -1.83 0.10 0.00 1.34 0.00 0.00 72.50 72.30 2jfk s THR 729 CO 0.80 -0.74 2.26 -0.24 -0.54 0.00 0.00 174.62 176.16 2jfk n SER 730 N -0.11 6.57 -4.54 3.99 2.88 -1.10 -4.69 113.62 116.62 2jfk n SER 730 Ca -0.10 -3.02 -0.29 0.00 -1.33 0.00 0.00 58.87 54.13 2jfk n SER 730 Cb 0.62 -1.47 0.16 0.00 -0.75 0.00 0.00 64.21 62.77 2jfk n SER 730 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jfk s SER 731 N 1.11 2.98 0.49 -3.46 1.04 -1.26 -4.82 113.70 109.78 2jfk s SER 731 Ca 0.50 0.84 0.16 0.00 0.48 0.00 0.00 55.95 57.93 2jfk s SER 731 Cb 0.15 -1.30 1.19 0.00 0.10 0.00 0.00 66.02 66.15 2jfk s SER 731 CO -0.05 -2.87 2.09 0.00 0.98 0.00 0.00 173.24 173.39 2jfk h ALA 732 N -1.72 1.85 -0.15 5.32 0.00 -1.82 -2.29 119.26 120.44 2jfk h ALA 732 Ca -0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2jfk h ALA 732 Cb 1.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2jfk h ALA 732 CO 0.54 0.09 0.02 0.93 0.00 0.00 0.00 179.25 180.83 2jfk h GLU 733 N 0.00 0.26 -0.62 0.00 3.07 -1.92 -2.22 114.58 113.16 2jfk h GLU 733 Ca -0.00 -0.07 0.06 0.00 -0.50 0.00 0.00 59.36 58.84 2jfk h GLU 733 Cb 0.13 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 27.96 2jfk h GLU 733 CO 0.01 0.45 0.33 -0.92 -1.40 0.00 0.00 179.01 177.48 2jfk h TYR 734 N 0.03 0.60 -0.70 4.33 3.20 -1.73 -0.40 116.97 122.30 2jfk h TYR 734 Ca 0.05 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 2jfk h TYR 734 Cb 0.33 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 2jfk h TYR 734 CO 0.02 0.28 0.20 -0.91 -1.64 0.00 0.00 178.16 176.11 2jfk h ASN 735 N 0.61 1.04 -0.30 -2.11 2.35 -1.44 -1.48 115.58 114.25 2jfk h ASN 735 Ca 0.28 -0.22 -0.14 0.00 -0.55 0.00 0.00 56.30 55.67 2jfk h ASN 735 Cb 0.19 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2jfk h ASN 735 CO -0.18 0.98 -0.34 0.58 -1.65 0.00 0.00 177.43 176.82 2jfk h VAL 736 N 1.04 1.28 -0.92 2.81 2.07 -0.96 -2.86 116.25 118.70 2jfk h VAL 736 Ca 0.22 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 2jfk h VAL 736 Cb 0.33 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 2jfk h VAL 736 CO -0.00 0.50 0.57 -1.13 0.02 0.00 0.00 177.57 177.53 2jfk h ASN 737 N 0.69 1.10 -0.51 0.57 -0.73 -0.93 -2.47 115.58 113.30 2jfk h ASN 737 Ca 0.07 -0.06 0.07 0.00 1.87 0.00 0.00 56.30 58.25 2jfk h ASN 737 Cb 0.89 -0.28 -0.06 0.00 0.27 0.00 0.00 38.32 39.15 2jfk h ASN 737 CO 0.08 0.83 0.19 -1.13 -0.37 0.00 0.00 177.43 177.03 2jfk h ASN 738 N 1.27 0.20 -0.30 1.15 -0.73 -1.05 0.67 115.58 116.79 2jfk h ASN 738 Ca 0.33 0.06 -0.05 0.00 1.87 0.00 0.00 56.30 58.51 2jfk h ASN 738 Cb -0.08 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.53 2jfk h ASN 738 CO -0.07 0.14 0.04 0.25 -0.37 0.00 0.00 177.43 177.43 2jfk h LEU 739 N 0.37 0.55 0.01 0.34 5.85 -1.24 -3.10 115.31 118.08 2jfk h LEU 739 Ca 0.24 -0.10 -0.31 0.00 0.84 0.00 0.00 57.88 58.55 2jfk h LEU 739 Cb 0.25 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 2jfk h LEU 739 CO -0.24 0.60 -1.88 0.52 -0.34 0.00 0.00 178.44 177.09 2jfk n VAL 740 N -4.29 1.57 -2.72 1.05 0.31 -1.08 -3.04 118.33 110.13 2jfk n VAL 740 Ca 0.02 -0.80 -0.27 0.00 -0.01 0.00 0.00 64.34 63.28 2jfk n VAL 740 Cb 0.23 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 2jfk n VAL 740 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2jfk s SER 741 N -6.00 6.18 0.85 4.52 0.01 0.21 -3.22 113.70 116.26 2jfk s SER 741 Ca -0.07 0.82 -0.11 0.00 1.31 0.00 0.00 55.95 57.90 2jfk s SER 741 Cb 0.07 -2.14 0.10 0.00 0.21 0.00 0.00 66.02 64.27 2jfk s SER 741 CO 0.82 -0.59 1.09 -2.16 0.41 0.00 0.00 173.24 172.81 2jfk s PRO 742 N -4.70 1.63 -0.55 12.44 0.04 -1.26 -4.62 135.00 137.97 2jfk s PRO 742 Ca 0.47 0.93 -0.19 0.00 0.04 0.00 0.00 61.00 62.25 2jfk s PRO 742 Cb -0.10 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.68 2jfk s PRO 742 CO 0.43 -2.01 0.67 0.08 0.04 0.00 0.00 177.00 176.21 2jfk s VAL 743 N -2.93 4.84 -1.34 -0.36 1.01 0.14 -4.50 120.40 117.25 2jfk s VAL 743 Ca 0.63 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 2jfk s VAL 743 Cb -0.17 -4.40 0.12 0.00 0.00 0.00 0.00 36.38 31.92 2jfk s VAL 743 CO 0.57 -0.98 2.04 0.18 0.00 0.00 0.00 175.10 176.90 2jfk n LEU 744 N 6.27 6.86 -0.07 3.92 4.77 0.18 -0.98 117.00 137.94 2jfk n LEU 744 Ca -0.08 -4.51 -0.10 0.00 -0.03 0.00 0.00 56.01 51.29 2jfk n LEU 744 Cb 0.44 -1.53 -0.07 0.00 -2.33 0.00 0.00 43.42 39.93 2jfk n LEU 744 CO 0.56 1.36 0.00 0.15 -1.33 0.00 0.00 177.39 178.14 2jfk h PHE 745 N 5.73 0.00 -0.86 -1.77 3.57 -1.71 -3.21 116.94 118.69 2jfk h PHE 745 Ca 0.47 0.00 0.18 0.00 3.53 0.00 0.00 57.97 62.16 2jfk h PHE 745 Cb 0.60 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.23 2jfk h PHE 745 CO 1.35 0.64 0.39 0.37 -2.23 0.00 0.00 178.31 178.83 2jfk h GLN 746 N -1.00 0.46 -0.00 1.11 5.75 -1.08 -0.74 115.11 119.60 2jfk h GLN 746 Ca -0.06 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.33 2jfk h GLN 746 Cb 0.68 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 2jfk h GLN 746 CO -0.04 0.31 -0.36 1.05 -2.65 0.00 0.00 178.83 177.14 2jfk h GLU 747 N 0.48 0.01 -0.19 1.69 9.09 -1.84 -0.99 114.58 122.83 2jfk h GLU 747 Ca 0.51 -0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.77 2jfk h GLU 747 Cb 0.86 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.96 2jfk h GLU 747 CO -0.46 0.37 -0.42 0.00 0.05 0.00 0.00 179.01 178.55 2jfk h ALA 748 N 1.63 0.31 -0.18 1.06 0.00 -1.17 -3.20 119.26 117.71 2jfk h ALA 748 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2jfk h ALA 748 Cb 0.64 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2jfk h ALA 748 CO 0.05 0.43 0.06 -0.07 0.00 0.00 0.00 179.25 179.71 2jfk h LEU 749 N 0.31 0.22 -1.65 0.00 3.38 -0.53 -1.76 115.31 115.27 2jfk h LEU 749 Ca 0.00 -0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.26 2jfk h LEU 749 Cb 1.03 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 2jfk h LEU 749 CO 0.09 0.22 0.75 -0.50 0.09 0.00 0.00 178.44 179.09 2jfk h TRP 750 N 0.25 0.36 0.00 1.13 6.55 -1.20 -0.44 115.95 122.59 2jfk h TRP 750 Ca 0.06 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.92 2jfk h TRP 750 Cb 0.08 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 28.28 2jfk h TRP 750 CO 0.00 0.02 -0.03 0.45 -1.05 0.00 0.00 178.44 177.83 2jfk h HIS 751 N 0.20 0.00 -2.75 0.49 3.86 -1.47 -3.45 115.15 112.02 2jfk h HIS 751 Ca 0.58 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 59.26 2jfk h HIS 751 Cb 1.87 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.36 2jfk h HIS 751 CO -0.00 0.00 0.94 0.08 0.86 0.00 0.00 177.93 179.81 2jfk s VAL 752 N -3.17 3.13 1.09 2.45 1.01 -0.18 -4.96 120.40 119.77 2jfk s VAL 752 Ca 0.08 0.61 -0.17 0.00 0.00 0.00 0.00 61.98 62.51 2jfk s VAL 752 Cb 0.08 -3.39 0.24 0.00 0.00 0.00 0.00 36.38 33.31 2jfk s VAL 752 CO 0.64 0.01 1.15 -2.16 0.00 0.00 0.00 175.10 174.74 2jfk s PRO 753 N 2.37 -0.34 0.22 2.72 0.04 -1.26 -4.71 135.00 134.04 2jfk s PRO 753 Ca 0.71 -0.01 -0.08 0.00 0.04 0.00 0.00 61.00 61.65 2jfk s PRO 753 Cb -0.39 -1.69 0.19 0.00 0.04 0.00 0.00 34.50 32.65 2jfk s PRO 753 CO 0.31 -3.14 1.86 1.49 0.04 0.00 0.00 177.00 177.57 2jfk h GLU 754 N -2.17 1.15 -0.55 4.56 4.57 -1.94 -3.00 114.58 117.18 2jfk h GLU 754 Ca -0.47 -0.11 -0.37 0.00 -1.18 0.00 0.00 59.36 57.24 2jfk h GLU 754 Cb 1.29 -0.24 -0.24 0.00 -0.16 0.00 0.00 28.75 29.41 2jfk h GLU 754 CO 0.42 0.81 -0.23 0.72 -1.18 0.00 0.00 179.01 179.55 2jfk n HIS 755 N -4.43 1.88 -2.04 0.92 8.25 -1.26 -3.51 115.22 115.03 2jfk n HIS 755 Ca 0.09 -2.02 -0.37 0.00 -0.26 0.00 0.00 57.72 55.16 2jfk n HIS 755 Cb 0.06 -0.56 0.02 0.00 1.12 0.00 0.00 29.99 30.63 2jfk n HIS 755 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jfk s ALA 756 N -3.46 2.72 -0.25 -1.41 0.00 -1.14 -4.30 121.76 113.92 2jfk s ALA 756 Ca 0.49 1.05 -0.06 0.00 0.00 0.00 0.00 51.96 53.43 2jfk s ALA 756 Cb 0.42 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 2jfk s ALA 756 CO 0.00 -1.05 0.04 0.08 0.00 0.00 0.00 175.76 174.83 2jfk s VAL 757 N -1.53 4.02 -0.15 0.00 1.01 0.78 -1.49 120.40 123.04 2jfk s VAL 757 Ca 0.73 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.39 2jfk s VAL 757 Cb -0.32 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.17 2jfk s VAL 757 CO 0.36 0.32 -0.21 -0.69 0.00 0.00 0.00 175.10 174.87 2jfk s VAL 758 N 1.56 2.10 -0.21 2.92 1.01 0.46 -0.75 120.40 127.49 2jfk s VAL 758 Ca 0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 2jfk s VAL 758 Cb -0.15 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2jfk s VAL 758 CO 0.02 0.55 -0.02 -0.76 0.00 0.00 0.00 175.10 174.88 2jfk s LEU 759 N 0.92 3.08 -0.24 3.92 1.43 -0.30 -0.14 118.68 127.35 2jfk s LEU 759 Ca -0.04 -0.30 -0.25 0.00 -1.03 0.00 0.00 54.13 52.51 2jfk s LEU 759 Cb -0.15 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 2jfk s LEU 759 CO -0.04 0.02 0.86 -0.70 0.23 0.00 0.00 176.35 176.71 2jfk s GLU 760 N 1.27 4.19 -0.48 1.70 2.12 0.26 -1.28 118.70 126.48 2jfk s GLU 760 Ca 0.03 1.00 -0.11 0.00 0.36 0.00 0.00 54.97 56.25 2jfk s GLU 760 Cb -0.14 -3.64 0.11 0.00 0.26 0.00 0.00 34.13 30.71 2jfk s GLU 760 CO -0.00 -0.53 0.37 0.42 -0.54 0.00 0.00 175.26 174.98 2jfk s ILE 761 N 2.88 4.55 -0.17 -3.70 1.01 0.25 -3.68 121.20 122.34 2jfk s ILE 761 Ca 0.36 -1.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.13 2jfk s ILE 761 Cb -0.15 -3.91 0.13 0.00 0.01 0.00 0.00 42.46 38.54 2jfk s ILE 761 CO 0.07 -0.73 1.02 0.00 0.00 0.00 0.00 174.94 175.30 2jfk s ALA 762 N 1.46 -1.95 -0.11 9.38 0.00 -1.26 -2.29 121.76 126.98 2jfk s ALA 762 Ca 0.04 1.61 0.29 0.00 0.00 0.00 0.00 51.96 53.90 2jfk s ALA 762 Cb -0.26 -0.76 1.33 0.00 0.00 0.00 0.00 23.12 23.42 2jfk s ALA 762 CO 0.01 -0.31 1.87 -1.00 0.00 0.00 0.00 175.76 176.33 2jfk h PRO 763 N 2.52 0.00 -2.83 0.00 0.13 -1.88 -3.36 132.00 126.57 2jfk h PRO 763 Ca -0.18 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.79 2jfk h PRO 763 Cb 1.16 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.01 2jfk h PRO 763 CO 0.30 0.00 -0.42 -1.58 -0.23 0.00 0.00 178.00 176.07 2jfk s HIS 764 N -3.57 -0.47 -1.33 1.56 5.65 -1.25 -4.09 115.29 111.79 2jfk s HIS 764 Ca 0.01 1.04 -0.16 0.00 0.25 0.00 0.00 55.06 56.19 2jfk s HIS 764 Cb 0.09 0.13 0.01 0.00 -1.18 0.00 0.00 32.58 31.63 2jfk s HIS 764 CO 0.40 -0.31 2.08 0.00 -0.65 0.00 0.00 174.74 176.26 2jfk n ALA 765 N 4.50 4.72 0.13 1.58 0.00 -0.92 -4.69 120.51 125.83 2jfk n ALA 765 Ca -0.21 -3.77 -0.01 0.00 0.00 0.00 0.00 53.44 49.46 2jfk n ALA 765 Cb 0.53 -3.56 0.12 0.00 0.00 0.00 0.00 19.45 16.54 2jfk n ALA 765 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jfk h LEU 766 N 11.30 0.00 -0.59 0.00 5.85 -1.95 -3.11 115.31 126.81 2jfk h LEU 766 Ca 0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.23 2jfk h LEU 766 Cb 0.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2jfk h LEU 766 CO 1.79 0.65 0.00 0.18 -0.34 0.00 0.00 178.44 180.72 2jfk n LEU 767 N -3.57 0.91 -0.27 2.25 4.77 -1.26 -4.35 117.00 115.47 2jfk n LEU 767 Ca -0.00 -0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 55.60 2jfk n LEU 767 Cb 0.68 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.75 2jfk n LEU 767 CO 0.42 0.16 0.58 1.56 -1.33 0.00 0.00 177.39 178.78 2jfk h GLN 768 N 1.39 -0.12 0.29 3.23 1.08 -1.94 0.26 115.11 119.29 2jfk h GLN 768 Ca 0.00 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2jfk h GLN 768 Cb 0.30 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2jfk h GLN 768 CO 0.00 -0.08 -0.14 0.00 -0.95 0.00 0.00 178.83 177.66 2jfk h ALA 769 N 0.92 -0.39 -0.98 3.87 0.00 -1.86 -0.44 119.26 120.37 2jfk h ALA 769 Ca 0.24 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.17 2jfk h ALA 769 Cb 0.56 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 2jfk h ALA 769 CO -0.79 -0.69 0.60 0.28 0.00 0.00 0.00 179.25 178.65 2jfk h VAL 770 N -0.45 0.89 -0.41 0.00 2.07 -1.67 -2.26 116.25 114.41 2jfk h VAL 770 Ca -0.04 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 2jfk h VAL 770 Cb 0.34 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2jfk h VAL 770 CO 0.07 0.17 -0.11 -0.07 0.02 0.00 0.00 177.57 177.64 2jfk h LEU 771 N 0.93 0.81 -0.51 2.57 3.38 -0.05 0.25 115.31 122.69 2jfk h LEU 771 Ca 0.49 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2jfk h LEU 771 Cb 0.53 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2jfk h LEU 771 CO -0.28 0.99 0.25 0.50 0.09 0.00 0.00 178.44 179.99 2jfk h LYS 772 N 0.62 0.48 -0.50 1.13 1.63 -0.63 0.56 116.57 119.86 2jfk h LYS 772 Ca 0.10 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.75 2jfk h LYS 772 Cb 0.64 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2jfk h LYS 772 CO 0.04 0.32 -0.16 0.00 -3.45 0.00 0.00 179.45 176.20 2jfk h ARG 773 N 0.49 0.97 0.00 1.90 3.08 -1.28 -3.37 114.38 116.18 2jfk h ARG 773 Ca 0.23 -0.38 -0.19 0.00 0.07 0.00 0.00 59.98 59.70 2jfk h ARG 773 Cb 0.15 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2jfk h ARG 773 CO -0.17 1.05 -1.43 0.78 -1.07 0.00 0.00 179.97 179.13 2jfk h GLY 774 N 0.92 0.00 -4.55 0.04 0.00 -0.49 -3.47 103.07 95.53 2jfk h GLY 774 Ca 0.12 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.86 2jfk h GLY 774 CO 0.06 0.00 -0.22 1.08 0.00 0.00 0.00 176.54 177.46 2jfk s LEU 775 N -5.89 4.36 0.47 3.11 1.43 0.15 -4.65 118.68 117.66 2jfk s LEU 775 Ca -0.03 0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 53.68 2jfk s LEU 775 Cb 0.08 -2.98 -0.08 0.00 0.03 0.00 0.00 46.19 43.24 2jfk s LEU 775 CO 0.81 0.18 1.24 2.29 0.23 0.00 0.00 176.35 181.10 2jfk n LYS 776 N 0.98 1.73 0.11 1.70 2.85 -1.26 -4.84 118.16 119.44 2jfk n LYS 776 Ca -0.08 0.63 0.11 0.00 -1.05 0.00 0.00 58.31 57.91 2jfk n LYS 776 Cb 0.52 -2.38 0.46 0.00 -0.65 0.00 0.00 35.03 32.98 2jfk n LYS 776 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2jfk n PRO 777 N -0.30 0.16 0.00 -1.58 -0.04 -1.26 -2.01 135.00 129.97 2jfk n PRO 777 Ca 0.08 0.42 0.01 0.00 -0.04 0.00 0.00 63.50 63.97 2jfk n PRO 777 Cb 0.42 -1.82 0.05 0.00 -0.04 0.00 0.00 33.50 32.11 2jfk n PRO 777 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jfk n SER 778 N -2.11 0.00 -4.86 3.54 3.41 -1.26 -4.83 113.62 107.51 2jfk n SER 778 Ca 0.02 -1.90 -0.33 0.00 -0.26 0.00 0.00 58.87 56.40 2jfk n SER 778 Cb 0.20 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 2jfk n SER 778 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jfk s THR 780 N -1.66 4.46 -0.18 0.00 2.01 -0.55 -4.99 115.64 114.73 2jfk s THR 780 Ca 0.43 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.28 2jfk s THR 780 Cb -0.13 -3.01 0.01 0.00 0.01 0.00 0.00 72.50 69.38 2jfk s THR 780 CO 0.20 0.45 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.79 2jfk s ILE 781 N 0.56 2.48 -0.14 1.82 1.01 -1.26 -0.40 121.20 125.27 2jfk s ILE 781 Ca 0.01 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2jfk s ILE 781 Cb -0.13 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.29 2jfk s ILE 781 CO 0.02 0.51 -0.19 -0.63 0.00 0.00 0.00 174.94 174.65 2jfk s ILE 782 N 1.13 1.88 0.44 2.92 1.01 0.80 -4.98 121.20 124.40 2jfk s ILE 782 Ca 0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 2jfk s ILE 782 Cb -0.14 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 2jfk s ILE 782 CO -0.06 0.51 0.73 -2.16 0.00 0.00 0.00 174.94 173.97 2jfk s PRO 783 N 1.05 3.57 0.00 2.79 0.04 -1.26 -0.58 135.00 140.61 2jfk s PRO 783 Ca -0.03 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.15 2jfk s PRO 783 Cb -0.14 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2jfk s PRO 783 CO -0.06 -0.11 0.00 1.28 0.04 0.00 0.00 177.00 178.16 2jfk n LEU 784 N -1.99 0.00 -4.08 -3.56 4.77 -1.24 -4.65 117.00 106.25 2jfk n LEU 784 Ca -0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2jfk n LEU 784 Cb 0.55 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 2jfk n LEU 784 CO 0.52 0.00 -0.37 -0.04 -1.33 0.00 0.00 177.39 176.16 2jfk s MET 785 N -1.94 0.58 -0.02 3.23 -1.94 -1.26 -3.57 119.30 114.37 2jfk s MET 785 Ca 0.00 -1.04 0.01 0.00 -1.71 0.00 0.00 55.69 52.96 2jfk s MET 785 Cb 0.00 0.03 0.01 0.00 2.01 0.00 0.00 34.83 36.88 2jfk s MET 785 CO 0.00 -0.05 -0.05 0.21 -0.01 0.00 0.00 175.02 175.12 2jfk s LYS 786 N -2.99 0.59 -0.06 2.03 2.20 -1.26 -2.18 119.74 118.08 2jfk s LYS 786 Ca 0.00 -0.13 -0.38 0.00 -0.36 0.00 0.00 55.97 55.10 2jfk s LYS 786 Cb 0.01 -0.60 -0.16 0.00 -1.51 0.00 0.00 37.83 35.56 2jfk s LYS 786 CO -0.05 0.02 1.51 1.17 -0.36 0.00 0.00 175.35 177.64 2jfk n LYS 787 N 3.50 1.20 -1.22 4.03 0.00 -1.26 -2.18 118.16 122.23 2jfk n LYS 787 Ca -0.20 0.44 -0.08 0.00 0.00 0.00 0.00 58.31 58.47 2jfk n LYS 787 Cb 0.54 -2.10 -0.03 0.00 0.00 0.00 0.00 35.03 33.44 2jfk n LYS 787 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jfk n ASP 788 N 3.74 -5.28 -4.75 3.14 8.00 -1.26 -4.93 116.55 115.22 2jfk n ASP 788 Ca 0.22 0.19 -0.41 0.00 0.71 0.00 0.00 54.79 55.50 2jfk n ASP 788 Cb 0.17 -3.44 0.01 0.00 -0.02 0.00 0.00 41.12 37.84 2jfk n ASP 788 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2jfk n HIS 789 N -2.33 2.60 -0.10 1.24 -0.00 -0.93 -4.87 115.22 110.84 2jfk n HIS 789 Ca -0.08 0.46 0.14 0.00 0.46 0.00 0.00 57.72 58.71 2jfk n HIS 789 Cb 0.48 -2.45 0.53 0.00 -0.12 0.00 0.00 29.99 28.42 2jfk n HIS 789 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2jfk h ARG 790 N 2.39 0.35 -0.97 1.57 -0.00 -1.91 -3.39 114.38 112.41 2jfk h ARG 790 Ca -0.50 -0.02 0.01 0.00 -0.00 0.00 0.00 59.98 59.47 2jfk h ARG 790 Cb 1.27 -0.08 -0.20 0.00 -0.00 0.00 0.00 29.97 30.96 2jfk h ARG 790 CO 0.61 0.23 -0.39 0.34 -0.00 0.00 0.00 179.97 180.77 2jfk s ASP 791 N -6.13 -1.55 0.23 0.08 3.68 -1.26 -5.03 116.67 106.69 2jfk s ASP 791 Ca -0.07 -0.14 0.25 0.00 2.13 0.00 0.00 52.55 54.72 2jfk s ASP 791 Cb 0.20 1.97 0.91 0.00 -1.45 0.00 0.00 42.92 44.55 2jfk s ASP 791 CO 0.75 -0.25 1.74 0.59 0.13 0.00 0.00 175.17 178.14 2jfk n ASN 792 N 5.06 0.72 -0.05 -0.34 3.02 -1.26 -2.30 115.26 120.11 2jfk n ASN 792 Ca 0.07 0.62 -0.13 0.00 -0.03 0.00 0.00 54.58 55.12 2jfk n ASN 792 Cb 0.55 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 2jfk n ASN 792 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2jfk h LEU 793 N 0.00 0.83 -0.20 3.41 5.85 -1.94 0.33 115.31 123.59 2jfk h LEU 793 Ca 0.00 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2jfk h LEU 793 Cb 0.53 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2jfk h LEU 793 CO 0.00 1.21 0.13 -0.08 -0.34 0.00 0.00 178.44 179.36 2jfk h GLU 794 N 0.58 0.27 -0.36 1.25 4.81 -1.86 -2.00 114.58 117.26 2jfk h GLU 794 Ca 0.01 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 2jfk h GLU 794 Cb 1.12 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2jfk h GLU 794 CO 0.11 0.18 -0.12 0.35 -0.73 0.00 0.00 179.01 178.80 2jfk h PHE 795 N 0.27 0.82 -0.02 0.92 3.04 -1.31 0.18 116.94 120.85 2jfk h PHE 795 Ca 0.07 -0.19 0.01 0.00 3.98 0.00 0.00 57.97 61.85 2jfk h PHE 795 Cb -0.03 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.27 2jfk h PHE 795 CO -0.06 0.89 -0.06 0.35 -2.02 0.00 0.00 178.31 177.40 2jfk h PHE 796 N 0.51 -0.15 -0.59 0.41 3.57 -0.35 -2.01 116.94 118.34 2jfk h PHE 796 Ca 0.09 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 2jfk h PHE 796 Cb 0.64 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 2jfk h PHE 796 CO 0.05 -0.10 0.07 -0.07 -2.23 0.00 0.00 178.31 176.04 2jfk h LEU 797 N -0.10 0.92 -0.98 0.59 3.38 -1.16 -0.70 115.31 117.26 2jfk h LEU 797 Ca 0.03 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.89 2jfk h LEU 797 Cb 0.14 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.57 2jfk h LEU 797 CO -0.08 0.94 0.62 0.00 0.09 0.00 0.00 178.44 180.00 2jfk h ALA 798 N 1.17 1.44 -0.42 1.53 0.00 -0.73 0.50 119.26 122.75 2jfk h ALA 798 Ca 0.18 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2jfk h ALA 798 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jfk h ALA 798 CO 0.01 0.28 -0.12 0.78 0.00 0.00 0.00 179.25 180.20 2jfk h GLY 799 N 1.03 0.89 1.40 0.00 0.00 -0.48 -1.09 103.07 104.82 2jfk h GLY 799 Ca 0.47 -0.75 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 2jfk h GLY 799 CO -0.23 0.68 0.22 -2.22 0.00 0.00 0.00 176.54 174.99 2jfk h ILE 800 N 0.64 1.19 -0.89 2.60 1.08 -0.51 -1.33 117.51 120.30 2jfk h ILE 800 Ca 0.10 -0.60 0.09 0.00 -0.39 0.00 0.00 64.86 64.05 2jfk h ILE 800 Cb 0.66 0.55 -0.07 0.00 -3.07 0.00 0.00 36.82 34.89 2jfk h ILE 800 CO 0.05 0.24 0.54 1.23 -0.69 0.00 0.00 178.15 179.51 2jfk h GLY 801 N 0.90 1.38 2.00 5.37 0.00 0.75 -2.47 103.07 110.99 2jfk h GLY 801 Ca 0.18 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 2jfk h GLY 801 CO -0.02 0.20 -0.21 3.21 0.00 0.00 0.00 176.54 179.72 2jfk h ARG 802 N 0.93 0.00 -0.62 4.80 3.08 -0.07 -1.76 114.38 120.73 2jfk h ARG 802 Ca 0.41 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.44 2jfk h ARG 802 Cb 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2jfk h ARG 802 CO -0.22 0.21 0.31 -0.07 -1.07 0.00 0.00 179.97 179.13 2jfk h LEU 803 N 0.00 0.81 0.36 3.04 3.38 -1.03 -1.05 115.31 120.82 2jfk h LEU 803 Ca -0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jfk h LEU 803 Cb 0.59 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2jfk h LEU 803 CO 0.03 0.71 -0.37 -0.74 0.09 0.00 0.00 178.44 178.16 2jfk h HIS 804 N 0.86 -1.00 -0.57 1.13 2.76 -1.27 0.12 115.15 117.17 2jfk h HIS 804 Ca 0.21 0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.56 2jfk h HIS 804 Cb 0.11 0.39 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 2jfk h HIS 804 CO -0.00 -0.51 0.44 -0.07 -1.30 0.00 0.00 177.93 176.49 2jfk h LEU 805 N -0.76 0.00 -2.10 0.26 3.38 -1.22 0.78 115.31 115.66 2jfk h LEU 805 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jfk h LEU 805 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2jfk h LEU 805 CO -0.07 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.92 2jfk n SER 806 N -4.21 3.09 0.00 -0.43 3.41 -0.42 -4.62 113.62 110.44 2jfk n SER 806 Ca 0.11 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 2jfk n SER 806 Cb 0.67 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2jfk n SER 806 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jfk n GLY 807 N 1.43 0.62 3.78 5.00 0.00 0.27 -4.90 105.19 111.39 2jfk n GLY 807 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2jfk n GLY 807 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jfk s ILE 808 N -2.01 5.18 -0.63 -0.61 -1.09 0.37 -4.97 121.20 117.45 2jfk s ILE 808 Ca 0.00 0.72 -0.24 0.00 -2.23 0.00 0.00 60.65 58.91 2jfk s ILE 808 Cb 0.00 -3.68 0.05 0.00 -1.58 0.00 0.00 42.46 37.25 2jfk s ILE 808 CO 0.00 0.47 1.00 -0.62 -1.23 0.00 0.00 174.94 174.57 2jfk s ASP 809 N -0.26 6.23 -0.31 3.58 2.15 -1.26 -3.54 116.67 123.25 2jfk s ASP 809 Ca 0.21 -0.69 -0.01 0.00 0.43 0.00 0.00 52.55 52.50 2jfk s ASP 809 Cb -0.15 -2.45 0.10 0.00 -0.30 0.00 0.00 42.92 40.13 2jfk s ASP 809 CO 0.09 -1.42 0.10 0.00 -0.17 0.00 0.00 175.17 173.77 2jfk s ALA 810 N 4.26 1.45 -0.38 3.66 0.00 -1.26 -4.87 121.76 124.61 2jfk s ALA 810 Ca 0.27 -1.62 -0.23 0.00 0.00 0.00 0.00 51.96 50.38 2jfk s ALA 810 Cb -0.14 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.39 2jfk s ALA 810 CO 0.14 -1.67 0.78 1.21 0.00 0.00 0.00 175.76 176.22 2jfk s ASN 811 N 1.65 6.52 0.00 0.00 3.84 -1.26 -4.90 114.94 120.79 2jfk s ASN 811 Ca 0.10 0.26 0.17 0.00 0.21 0.00 0.00 52.86 53.59 2jfk s ASN 811 Cb -0.17 -2.39 0.73 0.00 -0.55 0.00 0.00 41.25 38.86 2jfk s ASN 811 CO -0.26 -0.77 1.52 -0.81 -2.79 0.00 0.00 177.10 173.99 2jfk n PRO 812 N 6.48 0.04 -0.33 0.43 -0.04 -1.26 -3.01 135.00 137.30 2jfk n PRO 812 Ca 0.03 0.20 0.14 0.00 -0.04 0.00 0.00 63.50 63.83 2jfk n PRO 812 Cb 0.48 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.80 2jfk n PRO 812 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2jfk h ASN 813 N 0.00 0.72 -0.79 3.54 2.35 -1.91 -0.52 115.58 118.97 2jfk h ASN 813 Ca 0.00 0.08 0.08 0.00 -0.55 0.00 0.00 56.30 55.92 2jfk h ASN 813 Cb 0.26 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 2jfk h ASN 813 CO 0.00 0.27 0.52 0.00 -1.65 0.00 0.00 177.43 176.57 2jfk h ALA 814 N 1.63 1.71 0.00 -0.83 0.00 -1.84 -1.84 119.26 118.10 2jfk h ALA 814 Ca 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.45 2jfk h ALA 814 Cb 0.93 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2jfk h ALA 814 CO -0.33 0.14 -0.01 -0.07 0.00 0.00 0.00 179.25 178.98 2jfk h LEU 815 N 0.78 0.00 -9.37 0.00 3.38 -1.33 -3.45 115.31 105.31 2jfk h LEU 815 Ca 0.36 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.73 2jfk h LEU 815 Cb 0.37 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.99 2jfk h LEU 815 CO -0.13 0.01 -0.70 -0.36 0.09 0.00 0.00 178.44 177.35 2jfk s PHE 816 N -3.97 2.43 0.48 1.13 0.40 -0.69 -4.42 117.98 113.34 2jfk s PHE 816 Ca -0.02 -0.35 -0.24 0.00 -0.60 0.00 0.00 56.93 55.71 2jfk s PHE 816 Cb 0.11 -1.17 -0.07 0.00 0.51 0.00 0.00 43.02 42.40 2jfk s PHE 816 CO 0.48 0.64 1.42 -2.14 0.70 0.00 0.00 175.22 176.32 2jfk s PRO 817 N -3.59 3.50 0.72 0.24 0.02 -1.26 -4.94 135.00 129.69 2jfk s PRO 817 Ca 0.31 2.38 -0.14 0.00 0.02 0.00 0.00 61.00 63.58 2jfk s PRO 817 Cb -0.03 -2.53 0.03 0.00 0.02 0.00 0.00 34.50 31.99 2jfk s PRO 817 CO 0.17 -0.95 1.14 -1.25 -0.33 0.00 0.00 177.00 175.78 2jfk s PRO 818 N -2.60 2.37 0.00 5.54 0.04 -1.26 -4.96 135.00 134.13 2jfk s PRO 818 Ca 0.64 1.48 0.24 0.00 0.04 0.00 0.00 61.00 63.40 2jfk s PRO 818 Cb -0.43 -1.89 0.21 0.00 0.04 0.00 0.00 34.50 32.43 2jfk s PRO 818 CO 0.54 -1.60 1.26 1.33 0.04 0.00 0.00 177.00 178.57 2jfk n VAL 819 N -2.83 0.00 -3.91 -0.36 0.24 -1.26 -4.95 118.33 105.27 2jfk n VAL 819 Ca 0.11 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.34 61.86 2jfk n VAL 819 Cb 0.52 1.43 -0.08 0.00 -1.47 0.00 0.00 33.84 34.24 2jfk n VAL 819 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2jfk s GLU 820 N -2.05 0.76 0.55 7.34 2.02 -1.26 -4.95 118.70 121.11 2jfk s GLU 820 Ca 0.27 -0.95 -0.10 0.00 0.02 0.00 0.00 54.97 54.21 2jfk s GLU 820 Cb 0.20 0.30 -0.05 0.00 0.10 0.00 0.00 34.13 34.68 2jfk s GLU 820 CO 0.33 -0.22 0.94 -0.06 0.02 0.00 0.00 175.26 176.27 2jfk s PHE 821 N -3.59 3.57 -2.46 1.61 0.40 -1.26 -5.21 117.98 111.04 2jfk s PHE 821 Ca 0.03 1.18 0.28 0.00 -0.60 0.00 0.00 56.93 57.83 2jfk s PHE 821 Cb 0.04 -2.61 1.12 0.00 0.51 0.00 0.00 43.02 42.09 2jfk s PHE 821 CO -0.09 -0.49 1.79 -0.35 0.70 0.00 0.00 175.22 176.77