#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqi s TYR 405 N 0.00 2.02 -0.27 3.52 -0.85 -1.26 -5.12 117.35 115.39 1jqi s TYR 405 Ca 0.00 -0.42 -0.12 0.00 -0.52 0.00 0.00 57.07 56.01 1jqi s TYR 405 Cb 0.00 -1.01 -0.05 0.00 0.38 0.00 0.00 41.96 41.29 1jqi s TYR 405 CO 0.00 0.40 0.23 -1.14 -1.52 0.00 0.00 175.55 173.52 1jqi s GLN 406 N -2.71 3.99 0.25 -3.49 0.74 -1.26 -5.08 119.66 112.09 1jqi s GLN 406 Ca 0.18 -0.22 0.03 0.00 0.05 0.00 0.00 55.36 55.40 1jqi s GLN 406 Cb -0.07 -3.64 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 1jqi s GLN 406 CO 0.08 -0.17 0.39 0.45 -0.55 0.00 0.00 175.29 175.50 1jqi s SER 407 N 1.63 6.32 0.00 6.67 0.15 -1.26 -5.07 113.70 122.14 1jqi s SER 407 Ca 0.09 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1jqi s SER 407 Cb -0.16 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1jqi s SER 407 CO 0.10 -0.10 0.39 0.55 1.20 0.00 0.00 173.24 175.38 1jqi n VAL 408 N -1.35 0.00 -2.89 4.45 3.14 -1.26 -4.82 118.33 115.61 1jqi n VAL 408 Ca -0.08 0.89 -0.02 0.00 -2.96 0.00 0.00 64.34 62.18 1jqi n VAL 408 Cb 0.56 -1.74 0.01 0.00 -1.06 0.00 0.00 33.84 31.61 1jqi n VAL 408 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1jqi s GLU 409 N -0.79 0.84 0.49 1.45 2.56 -1.26 -5.16 118.70 116.84 1jqi s GLU 409 Ca 0.00 -0.66 -0.21 0.00 0.00 0.00 0.00 54.97 54.10 1jqi s GLU 409 Cb 0.00 0.00 -0.07 0.00 2.00 0.00 0.00 34.13 36.06 1jqi s GLU 409 CO 0.00 -1.10 1.12 -0.51 -0.56 0.00 0.00 175.26 174.22 1jqi s LEU 410 N 1.25 3.90 0.67 2.70 1.02 -1.26 -5.01 118.68 121.95 1jqi s LEU 410 Ca 0.24 2.18 -0.16 0.00 0.02 0.00 0.00 54.13 56.41 1jqi s LEU 410 Cb 0.00 -4.42 0.01 0.00 0.02 0.00 0.00 46.19 41.81 1jqi s LEU 410 CO -0.07 -0.98 1.16 -2.84 0.02 0.00 0.00 176.35 173.64 1jqi s PRO 411 N -2.99 2.59 0.32 1.29 0.02 -1.26 -4.76 135.00 130.22 1jqi s PRO 411 Ca 0.67 1.58 0.05 0.00 0.02 0.00 0.00 61.00 63.33 1jqi s PRO 411 Cb -0.24 -1.91 0.69 0.00 0.02 0.00 0.00 34.50 33.06 1jqi s PRO 411 CO 0.29 -1.45 1.84 0.93 -0.33 0.00 0.00 177.00 178.28 1jqi h GLU 412 N 0.05 0.81 -0.62 5.54 4.39 -1.99 -1.67 114.58 121.11 1jqi h GLU 412 Ca -0.48 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.24 1jqi h GLU 412 Cb 1.27 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 29.68 1jqi h GLU 412 CO 0.53 0.54 0.32 1.79 -1.16 0.00 0.00 179.01 181.02 1jqi h THR 413 N 0.84 0.92 -0.07 1.13 1.35 -1.98 0.18 112.91 115.28 1jqi h THR 413 Ca 0.49 -0.20 -0.24 0.00 -0.55 0.00 0.00 66.41 65.91 1jqi h THR 413 Cb 0.65 0.29 0.01 0.00 -1.73 0.00 0.00 68.15 67.37 1jqi h THR 413 CO -0.26 0.11 -0.90 0.45 -0.25 0.00 0.00 175.52 174.67 1jqi h HIS 414 N 0.58 0.97 -0.68 4.73 3.86 -1.75 -0.63 115.15 122.23 1jqi h HIS 414 Ca 0.28 -0.48 -0.04 0.00 -1.16 0.00 0.00 60.37 58.97 1jqi h HIS 414 Cb 0.22 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 1jqi h HIS 414 CO -0.10 1.31 0.26 1.96 0.86 0.00 0.00 177.93 182.22 1jqi h GLN 415 N 0.43 1.03 -0.48 2.45 1.08 -1.05 -1.07 115.11 117.50 1jqi h GLN 415 Ca -0.09 -0.20 -0.13 0.00 -1.45 0.00 0.00 58.65 56.79 1jqi h GLN 415 Cb 1.54 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.79 1jqi h GLN 415 CO 0.18 0.87 -0.20 1.98 -0.95 0.00 0.00 178.83 180.70 1jqi h MET 416 N 0.98 0.98 -0.53 1.46 4.05 -0.63 -2.95 114.93 118.29 1jqi h MET 416 Ca 0.23 -0.41 -0.05 0.00 -0.28 0.00 0.00 59.70 59.19 1jqi h MET 416 Cb 0.23 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1jqi h MET 416 CO -0.02 1.08 0.13 1.25 0.23 0.00 0.00 176.91 179.59 1jqi h LEU 417 N 0.85 0.74 -0.43 3.39 7.12 -0.77 -2.14 115.31 124.07 1jqi h LEU 417 Ca 0.11 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1jqi h LEU 417 Cb 0.77 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.69 1jqi h LEU 417 CO 0.06 0.73 0.28 -0.09 -0.13 0.00 0.00 178.44 179.29 1jqi h ARG 418 N 0.77 0.57 -0.38 1.25 2.43 -1.04 -1.55 114.38 116.44 1jqi h ARG 418 Ca 0.17 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1jqi h ARG 418 Cb 0.27 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1jqi h ARG 418 CO -0.00 0.38 0.22 0.37 -1.51 0.00 0.00 179.97 179.42 1jqi h GLN 419 N 0.58 0.52 -0.28 0.20 4.15 -1.34 -0.99 115.11 117.95 1jqi h GLN 419 Ca 0.16 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.55 1jqi h GLN 419 Cb -0.07 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 1jqi h GLN 419 CO -0.03 0.41 0.10 1.15 -1.93 0.00 0.00 178.83 178.52 1jqi h THR 420 N 0.49 0.92 -0.34 2.39 2.02 -1.10 -0.67 112.91 116.62 1jqi h THR 420 Ca 0.13 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.12 1jqi h THR 420 Cb 0.03 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1jqi h THR 420 CO -0.02 0.04 -0.25 0.00 0.37 0.00 0.00 175.52 175.65 1jqi h ARG 422 N 0.60 0.83 -0.60 0.00 2.43 -0.93 -0.17 114.38 116.55 1jqi h ARG 422 Ca 0.08 -0.37 -0.08 0.00 -0.81 0.00 0.00 59.98 58.81 1jqi h ARG 422 Cb 0.75 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1jqi h ARG 422 CO 0.06 1.00 0.07 -0.44 -1.51 0.00 0.00 179.97 179.15 1jqi h ASP 423 N 0.64 0.96 0.24 -3.80 3.45 -1.01 -0.36 116.42 116.53 1jqi h ASP 423 Ca 0.09 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.30 1jqi h ASP 423 Cb 0.75 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 1jqi h ASP 423 CO 0.06 0.98 -0.12 0.15 -1.57 0.00 0.00 179.24 178.74 1jqi h PHE 424 N 0.93 -0.30 -0.60 4.55 3.57 -0.95 -1.18 116.94 122.96 1jqi h PHE 424 Ca 0.18 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1jqi h PHE 424 Cb 0.45 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1jqi h PHE 424 CO 0.03 -0.10 0.34 0.00 -2.23 0.00 0.00 178.31 176.35 1jqi h ALA 425 N 0.30 0.78 -0.90 2.41 0.00 -0.88 0.39 119.26 121.35 1jqi h ALA 425 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1jqi h ALA 425 Cb 0.33 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1jqi h ALA 425 CO 0.05 0.04 0.50 1.49 0.00 0.00 0.00 179.25 181.33 1jqi h GLU 426 N 0.65 1.26 0.13 0.00 4.57 -0.95 -0.15 114.58 120.09 1jqi h GLU 426 Ca 0.25 -0.15 -0.35 0.00 -1.18 0.00 0.00 59.36 57.94 1jqi h GLU 426 Cb 0.10 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1jqi h GLU 426 CO -0.14 0.92 -1.87 -0.22 -1.18 0.00 0.00 179.01 176.52 1jqi h LYS 427 N 1.26 0.27 0.00 1.92 3.64 -0.78 -3.40 116.57 119.49 1jqi h LYS 427 Ca 0.32 -0.47 -0.32 0.00 -1.27 0.00 0.00 60.65 58.91 1jqi h LYS 427 Cb 0.02 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 1jqi h LYS 427 CO -0.05 1.22 -2.11 0.39 -2.27 0.00 0.00 179.45 176.63 1jqi n GLU 428 N -3.60 0.67 -0.11 1.90 -0.58 0.13 -4.71 120.64 114.34 1jqi n GLU 428 Ca -0.30 0.09 -0.23 0.00 -0.42 0.00 0.00 57.16 56.30 1jqi n GLU 428 Cb 1.02 -1.62 -0.08 0.00 -0.57 0.00 0.00 31.44 30.19 1jqi n GLU 428 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1jqi n LEU 429 N -2.83 1.75 -0.23 -4.62 4.77 -0.57 -4.56 117.00 110.72 1jqi n LEU 429 Ca -0.26 0.30 0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1jqi n LEU 429 Cb 1.08 -0.72 0.10 0.00 -2.33 0.00 0.00 43.42 41.56 1jqi n LEU 429 CO 0.44 0.35 0.78 0.58 -1.33 0.00 0.00 177.39 178.21 1jqi h VAL 430 N -0.88 0.37 0.00 4.08 2.07 -1.19 0.21 116.25 120.91 1jqi h VAL 430 Ca -0.51 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1jqi h VAL 430 Cb 1.42 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1jqi h VAL 430 CO -0.31 0.01 0.00 1.55 0.02 0.00 0.00 177.57 178.84 1jqi h PRO 431 N 0.05 0.00 -0.00 1.57 0.13 -1.84 -3.16 132.00 128.75 1jqi h PRO 431 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 1jqi h PRO 431 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1jqi h PRO 431 CO -0.64 0.00 -0.08 0.44 -0.23 0.00 0.00 178.00 177.49 1jqi n ILE 432 N -2.63 0.00 -0.31 -3.56 -5.35 -0.43 -4.72 119.36 102.36 1jqi n ILE 432 Ca 0.00 -0.46 0.06 0.00 -0.27 0.00 0.00 62.75 62.08 1jqi n ILE 432 Cb 0.19 1.07 0.21 0.00 -1.74 0.00 0.00 39.64 39.37 1jqi n ILE 432 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jqi h ALA 433 N 0.87 1.31 -0.50 -1.28 0.00 -0.98 -1.49 119.26 117.19 1jqi h ALA 433 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1jqi h ALA 433 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1jqi h ALA 433 CO 0.00 0.03 0.25 0.00 0.00 0.00 0.00 179.25 179.53 1jqi h ALA 434 N 1.52 0.64 -0.59 0.00 0.00 -1.85 -2.21 119.26 116.78 1jqi h ALA 434 Ca 0.45 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1jqi h ALA 434 Cb 0.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1jqi h ALA 434 CO -0.31 0.19 0.06 0.37 0.00 0.00 0.00 179.25 179.56 1jqi h GLN 435 N 0.66 1.00 -0.38 0.00 4.15 -1.72 -1.40 115.11 117.43 1jqi h GLN 435 Ca 0.17 -0.29 0.01 0.00 0.77 0.00 0.00 58.65 59.31 1jqi h GLN 435 Cb 0.10 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1jqi h GLN 435 CO -0.02 0.97 0.24 -0.07 -1.93 0.00 0.00 178.83 178.01 1jqi h LEU 436 N 0.90 0.40 -0.11 -2.39 3.38 -1.12 0.90 115.31 117.28 1jqi h LEU 436 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1jqi h LEU 436 Cb 0.47 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jqi h LEU 436 CO 0.02 0.29 0.05 -0.78 0.09 0.00 0.00 178.44 178.11 1jqi h ASP 437 N 0.49 0.15 -0.77 -0.43 1.82 -1.30 0.21 116.42 116.59 1jqi h ASP 437 Ca 0.14 -0.15 -0.05 0.00 -0.39 0.00 0.00 57.03 56.58 1jqi h ASP 437 Cb -0.03 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 39.90 1jqi h ASP 437 CO -0.04 0.26 0.29 0.50 -1.61 0.00 0.00 179.24 178.63 1jqi h LYS 438 N 0.03 1.17 -0.01 0.28 1.63 -1.01 -3.03 116.57 115.63 1jqi h LYS 438 Ca 0.04 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1jqi h LYS 438 Cb 0.16 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1jqi h LYS 438 CO -0.00 0.96 -0.33 0.39 -3.45 0.00 0.00 179.45 177.01 1jqi n GLU 439 N -4.28 1.07 -3.70 1.90 1.02 0.29 -4.94 120.64 112.00 1jqi n GLU 439 Ca 0.07 -0.77 -0.25 0.00 -0.02 0.00 0.00 57.16 56.19 1jqi n GLU 439 Cb 0.20 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.20 1jqi n GLU 439 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1jqi n HIS 440 N -0.30 -2.60 -3.26 -0.32 8.25 0.66 -4.93 115.22 112.71 1jqi n HIS 440 Ca 0.11 0.97 -0.39 0.00 -0.26 0.00 0.00 57.72 58.15 1jqi n HIS 440 Cb 0.41 -4.66 -0.07 0.00 1.12 0.00 0.00 29.99 26.78 1jqi n HIS 440 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1jqi s LEU 441 N -7.21 4.12 -0.00 2.41 0.20 -0.68 -4.74 118.68 112.79 1jqi s LEU 441 Ca 0.54 0.61 -0.30 0.00 0.69 0.00 0.00 54.13 55.67 1jqi s LEU 441 Cb -0.25 -2.67 -0.05 0.00 -0.43 0.00 0.00 46.19 42.79 1jqi s LEU 441 CO 0.77 -0.19 1.32 0.12 -0.29 0.00 0.00 176.35 178.08 1jqi s PHE 442 N 1.75 3.04 -1.19 5.38 2.19 -1.24 -4.68 117.98 123.23 1jqi s PHE 442 Ca 0.23 0.99 -0.17 0.00 0.33 0.00 0.00 56.93 58.31 1jqi s PHE 442 Cb -0.15 -3.57 -0.04 0.00 -1.31 0.00 0.00 43.02 37.95 1jqi s PHE 442 CO 0.09 -1.99 2.11 -0.35 1.83 0.00 0.00 175.22 176.92 1jqi n PRO 443 N 5.09 2.33 -0.04 10.12 -0.04 -1.26 -4.82 135.00 146.38 1jqi n PRO 443 Ca 0.12 -2.31 -0.08 0.00 -0.04 0.00 0.00 63.50 61.18 1jqi n PRO 443 Cb 0.45 -3.15 -0.02 0.00 -0.04 0.00 0.00 33.50 30.74 1jqi n PRO 443 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1jqi h THR 444 N 4.20 0.43 -0.70 0.52 2.02 -1.99 -0.98 112.91 116.40 1jqi h THR 444 Ca 0.51 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.71 1jqi h THR 444 Cb 0.65 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1jqi h THR 444 CO 1.91 0.00 0.45 0.28 0.37 0.00 0.00 175.52 178.53 1jqi h SER 445 N -0.24 0.75 -0.46 4.18 0.02 -2.01 -2.47 113.55 113.32 1jqi h SER 445 Ca 0.13 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 1jqi h SER 445 Cb 0.44 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1jqi h SER 445 CO -0.35 0.53 -0.25 1.56 -1.14 0.00 0.00 176.83 177.18 1jqi h GLN 446 N 0.89 0.99 -0.80 3.45 7.50 -1.89 -2.38 115.11 122.87 1jqi h GLN 446 Ca 0.27 -0.44 -0.03 0.00 0.50 0.00 0.00 58.65 58.96 1jqi h GLN 446 Cb -0.03 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.44 1jqi h GLN 446 CO -0.09 1.12 0.39 0.28 -1.50 0.00 0.00 178.83 179.03 1jqi h VAL 447 N 0.85 1.25 -0.45 -0.54 2.07 -0.99 -0.89 116.25 117.55 1jqi h VAL 447 Ca 0.10 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1jqi h VAL 447 Cb 0.83 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1jqi h VAL 447 CO 0.07 0.29 0.20 0.50 0.02 0.00 0.00 177.57 178.65 1jqi h LYS 448 N 1.14 0.66 -0.43 1.57 1.63 -1.32 0.28 116.57 120.10 1jqi h LYS 448 Ca 0.28 -0.11 0.02 0.00 -0.85 0.00 0.00 60.65 59.99 1jqi h LYS 448 Cb 0.10 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 1jqi h LYS 448 CO -0.04 0.59 0.25 0.87 -3.45 0.00 0.00 179.45 177.66 1jqi h LYS 449 N 0.58 0.48 -0.48 1.90 1.57 -0.89 0.88 116.57 120.61 1jqi h LYS 449 Ca 0.15 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1jqi h LYS 449 Cb 0.16 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1jqi h LYS 449 CO -0.02 0.32 0.22 0.52 -0.57 0.00 0.00 179.45 179.93 1jqi h MET 450 N 0.49 0.68 -0.34 3.15 2.86 -0.96 -0.18 114.93 120.63 1jqi h MET 450 Ca 0.17 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1jqi h MET 450 Cb 0.03 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1jqi h MET 450 CO -0.09 0.53 0.13 0.78 1.06 0.00 0.00 176.91 179.33 1jqi h GLY 451 N 0.79 0.56 1.67 8.32 0.00 0.49 -0.35 103.07 114.55 1jqi h GLY 451 Ca 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1jqi h GLY 451 CO -0.02 0.29 0.14 0.83 0.00 0.00 0.00 176.54 177.77 1jqi h GLU 452 N 0.41 0.44 0.00 4.80 5.08 0.26 -0.32 114.58 125.24 1jqi h GLU 452 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1jqi h GLU 452 Cb 0.20 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1jqi h GLU 452 CO -0.01 0.35 0.00 1.28 -1.00 0.00 0.00 179.01 179.64 1jqi n LEU 453 N -4.42 0.32 0.00 1.33 4.77 -0.19 -4.90 117.00 113.91 1jqi n LEU 453 Ca 0.02 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1jqi n LEU 453 Cb 0.12 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1jqi n LEU 453 CO 0.36 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1jqi n GLY 454 N 0.89 0.57 0.01 -0.72 0.00 -0.13 -4.97 105.19 100.84 1jqi n GLY 454 Ca 0.05 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.54 1jqi n GLY 454 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jqi n LEU 455 N 0.00 0.20 -0.68 0.99 4.77 -0.20 -3.65 117.00 118.43 1jqi n LEU 455 Ca 0.00 0.30 0.13 0.00 -0.03 0.00 0.00 56.01 56.40 1jqi n LEU 455 Cb 0.00 -0.39 0.36 0.00 -2.33 0.00 0.00 43.42 41.06 1jqi n LEU 455 CO 0.00 0.05 0.78 0.18 -1.33 0.00 0.00 177.39 177.06 1jqi n LEU 456 N -1.46 2.10 -2.76 2.23 4.77 -1.25 -4.39 117.00 116.24 1jqi n LEU 456 Ca 0.07 -0.74 -0.09 0.00 -0.03 0.00 0.00 56.01 55.22 1jqi n LEU 456 Cb 0.33 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.48 1jqi n LEU 456 CO 0.29 0.37 0.32 0.00 -1.33 0.00 0.00 177.39 177.04 1jqi n ALA 457 N 0.63 -0.01 -0.20 -1.18 0.00 -1.24 -4.11 120.51 114.40 1jqi n ALA 457 Ca 0.17 -1.61 -0.10 0.00 0.00 0.00 0.00 53.44 51.90 1jqi n ALA 457 Cb 0.44 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.81 1jqi n ALA 457 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1jqi h MET 458 N 2.77 1.03 -0.01 0.00 2.86 -1.76 -1.80 114.93 118.02 1jqi h MET 458 Ca -0.13 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1jqi h MET 458 Cb 1.14 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1jqi h MET 458 CO 0.12 1.05 -0.05 -3.47 1.06 0.00 0.00 176.91 175.62 1jqi n ASP 459 N -4.18 0.92 -4.72 1.22 4.64 -1.26 0.11 116.55 113.27 1jqi n ASP 459 Ca 0.02 -1.15 -0.41 0.00 -1.38 0.00 0.00 54.79 51.88 1jqi n ASP 459 Cb 0.37 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.41 1jqi n ASP 459 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1jqi s VAL 460 N -2.15 4.92 0.70 5.18 1.01 -1.17 -4.76 120.40 124.13 1jqi s VAL 460 Ca 0.37 1.70 -0.17 0.00 0.00 0.00 0.00 61.98 63.89 1jqi s VAL 460 Cb 0.21 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1jqi s VAL 460 CO 0.39 0.24 1.26 -0.81 0.00 0.00 0.00 175.10 176.18 1jqi n PRO 461 N 3.63 0.84 -0.08 2.72 -0.04 -1.26 -0.56 135.00 140.25 1jqi n PRO 461 Ca 0.01 0.35 0.06 0.00 -0.04 0.00 0.00 63.50 63.88 1jqi n PRO 461 Cb 0.51 -2.50 0.42 0.00 -0.04 0.00 0.00 33.50 31.89 1jqi n PRO 461 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jqi h GLU 462 N 0.11 0.58 -0.73 0.54 5.08 -1.88 -1.26 114.58 117.01 1jqi h GLU 462 Ca -0.50 -0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.00 1jqi h GLU 462 Cb 1.33 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 1jqi h GLU 462 CO 0.51 0.38 0.50 0.93 -1.00 0.00 0.00 179.01 180.33 1jqi h GLU 463 N 0.60 0.23 -0.64 2.33 5.08 -1.91 0.29 114.58 120.57 1jqi h GLU 463 Ca 0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1jqi h GLU 463 Cb 0.17 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1jqi h GLU 463 CO -0.06 0.15 0.00 1.28 -1.00 0.00 0.00 179.01 179.38 1jqi n LEU 464 N -4.43 5.06 -0.04 1.33 4.77 -0.79 -4.91 117.00 117.99 1jqi n LEU 464 Ca 0.14 -2.56 -0.01 0.00 -0.03 0.00 0.00 56.01 53.56 1jqi n LEU 464 Cb 0.64 -0.62 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1jqi n LEU 464 CO 0.34 0.75 -0.01 -1.20 -1.33 0.00 0.00 177.39 175.95 1jqi n SER 465 N 0.99 -3.10 -4.83 -1.43 7.64 0.10 -4.17 113.62 108.83 1jqi n SER 465 Ca 0.26 0.01 -0.24 0.00 1.01 0.00 0.00 58.87 59.92 1jqi n SER 465 Cb 0.98 -0.65 0.08 0.00 -1.01 0.00 0.00 64.21 63.61 1jqi n SER 465 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jqi s GLY 466 N -2.76 1.75 0.23 0.23 0.00 -0.54 -4.84 107.32 101.38 1jqi s GLY 466 Ca 0.00 -1.23 0.25 0.00 0.00 0.00 0.00 44.72 43.74 1jqi s GLY 466 CO 0.00 -0.80 1.76 0.00 0.00 0.00 0.00 173.10 174.06 1jqi n ALA 467 N -2.80 2.07 -2.37 3.20 0.00 -0.69 -3.74 120.51 116.18 1jqi n ALA 467 Ca 0.10 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.41 1jqi n ALA 467 Cb 0.60 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 1jqi n ALA 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jqi n GLY 468 N 0.87 -0.20 0.00 0.00 0.00 0.28 -4.82 105.19 101.32 1jqi n GLY 468 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1jqi n GLY 468 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jqi n LEU 469 N -2.19 0.00 0.00 0.99 7.99 0.12 -4.93 117.00 118.98 1jqi n LEU 469 Ca -0.15 0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 55.69 1jqi n LEU 469 Cb 0.62 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.87 1jqi n LEU 469 CO 0.22 0.00 0.03 -0.90 -1.51 0.00 0.00 177.39 175.24 1jqi n ASP 470 N 0.00 -1.01 0.25 -1.43 3.85 -1.26 -4.59 116.55 112.36 1jqi n ASP 470 Ca 0.00 -2.99 0.12 0.00 -0.71 0.00 0.00 54.79 51.22 1jqi n ASP 470 Cb 0.00 2.05 0.58 0.00 -1.35 0.00 0.00 41.12 42.40 1jqi n ASP 470 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.20 178.07 1jqi h TYR 471 N 2.01 0.00 -0.26 2.11 0.99 -1.94 -1.23 116.97 118.66 1jqi h TYR 471 Ca -0.25 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.42 1jqi h TYR 471 Cb 1.16 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.88 1jqi h TYR 471 CO 0.00 0.15 -0.09 1.25 -0.00 0.00 0.00 178.16 179.47 1jqi h LEU 472 N 0.00 0.52 -0.71 3.88 6.46 -1.93 0.12 115.31 123.65 1jqi h LEU 472 Ca -0.00 -0.39 -0.09 0.00 -0.12 0.00 0.00 57.88 57.28 1jqi h LEU 472 Cb 0.60 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 1jqi h LEU 472 CO 0.02 0.79 0.02 0.00 -0.62 0.00 0.00 178.44 178.65 1jqi h ALA 473 N 0.75 0.92 -0.24 1.25 0.00 -1.91 -1.71 119.26 118.32 1jqi h ALA 473 Ca 0.06 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1jqi h ALA 473 Cb 0.58 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1jqi h ALA 473 CO 0.03 0.65 0.14 -0.92 0.00 0.00 0.00 179.25 179.15 1jqi h TYR 474 N 0.93 0.27 0.01 0.00 3.20 -1.05 0.12 116.97 120.44 1jqi h TYR 474 Ca 0.17 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 1jqi h TYR 474 Cb 0.51 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1jqi h TYR 474 CO 0.03 0.16 -0.00 1.03 -1.64 0.00 0.00 178.16 177.74 1jqi h SER 475 N 0.29 -0.01 -0.24 -2.11 0.87 -0.77 0.81 113.55 112.39 1jqi h SER 475 Ca 0.09 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1jqi h SER 475 Cb -0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1jqi h SER 475 CO -0.04 0.05 0.14 0.40 -0.53 0.00 0.00 176.83 176.86 1jqi h ILE 476 N -0.07 1.04 -0.59 2.23 2.04 -1.14 -1.52 117.51 119.50 1jqi h ILE 476 Ca -0.00 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1jqi h ILE 476 Cb 0.06 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1jqi h ILE 476 CO 0.00 0.05 0.21 0.00 0.00 0.00 0.00 178.15 178.42 1jqi h ALA 477 N 1.10 0.77 -0.24 1.87 0.00 -0.61 -2.81 119.26 119.34 1jqi h ALA 477 Ca 0.09 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1jqi h ALA 477 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1jqi h ALA 477 CO -0.04 0.41 -0.12 1.25 0.00 0.00 0.00 179.25 180.75 1jqi h LEU 478 N 0.83 0.38 0.02 0.00 5.85 -0.63 -2.00 115.31 119.77 1jqi h LEU 478 Ca 0.19 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1jqi h LEU 478 Cb 0.24 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1jqi h LEU 478 CO -0.01 0.54 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.54 1jqi h GLU 479 N 0.37 -0.03 -0.96 1.25 4.81 -1.09 -1.02 114.58 117.92 1jqi h GLU 479 Ca 0.07 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1jqi h GLU 479 Cb 0.44 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 1jqi h GLU 479 CO 0.03 0.22 0.63 0.93 -0.73 0.00 0.00 179.01 180.08 1jqi h GLU 480 N -0.28 1.18 -0.18 1.92 4.39 -1.27 -1.12 114.58 119.22 1jqi h GLU 480 Ca -0.00 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1jqi h GLU 480 Cb 0.26 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1jqi h GLU 480 CO 0.00 0.78 0.00 0.82 -1.16 0.00 0.00 179.01 179.46 1jqi h ILE 481 N 1.21 1.25 0.00 3.13 1.08 -1.30 -2.98 117.51 119.91 1jqi h ILE 481 Ca 0.38 -0.84 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1jqi h ILE 481 Cb 0.00 1.45 -0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1jqi h ILE 481 CO -0.12 0.25 -0.07 0.28 -0.69 0.00 0.00 178.15 177.80 1jqi h SER 482 N 0.07 0.00 0.38 1.72 0.02 -0.84 -0.57 113.55 114.33 1jqi h SER 482 Ca 0.05 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 1jqi h SER 482 Cb 0.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1jqi h SER 482 CO 0.01 0.07 -0.50 -0.09 -1.14 0.00 0.00 176.83 175.18 1jqi h ARG 483 N 0.00 0.15 0.24 3.45 2.43 -1.05 -3.16 114.38 116.43 1jqi h ARG 483 Ca -0.00 -0.08 -0.34 0.00 -0.81 0.00 0.00 59.98 58.75 1jqi h ARG 483 Cb 0.29 0.01 0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1jqi h ARG 483 CO 0.01 0.61 -1.55 0.78 -1.51 0.00 0.00 179.97 178.31 1jqi h GLY 484 N 1.41 0.58 -5.34 2.80 0.00 -1.11 -3.44 103.07 97.97 1jqi h GLY 484 Ca 0.00 -1.49 0.06 0.00 0.00 0.00 0.00 47.33 45.90 1jqi h GLY 484 CO 0.07 1.31 -0.19 0.00 0.00 0.00 0.00 176.54 177.73 1jqi h ALA 486 N 8.02 1.43 0.07 0.00 0.00 -1.82 -2.63 119.26 124.33 1jqi h ALA 486 Ca -0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1jqi h ALA 486 Cb 1.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1jqi h ALA 486 CO 0.14 0.40 -0.03 0.77 0.00 0.00 0.00 179.25 180.53 1jqi h SER 487 N 0.23 -0.08 -0.94 0.00 0.02 -1.91 -2.60 113.55 108.28 1jqi h SER 487 Ca 0.04 -0.33 0.13 0.00 -0.84 0.00 0.00 61.79 60.80 1jqi h SER 487 Cb 0.45 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.93 1jqi h SER 487 CO 0.03 0.29 0.60 0.74 -1.14 0.00 0.00 176.83 177.35 1jqi h THR 488 N -0.47 0.87 -0.61 -2.27 2.02 -1.91 -1.15 112.91 109.39 1jqi h THR 488 Ca -0.01 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 1jqi h THR 488 Cb 0.40 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 1jqi h THR 488 CO 0.02 0.15 0.18 1.23 0.37 0.00 0.00 175.52 177.46 1jqi h GLY 489 N 0.81 1.03 1.99 2.16 0.00 -1.33 -1.83 103.07 105.91 1jqi h GLY 489 Ca 0.47 -0.63 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 1jqi h GLY 489 CO -0.23 0.58 -0.68 -0.24 0.00 0.00 0.00 176.54 175.97 1jqi h VAL 490 N 0.88 1.48 -0.76 4.60 3.04 -0.90 0.25 116.25 124.85 1jqi h VAL 490 Ca 0.20 -2.31 -0.04 0.00 -1.01 0.00 0.00 66.70 63.53 1jqi h VAL 490 Cb 0.31 2.25 -0.03 0.00 -2.01 0.00 0.00 31.29 31.80 1jqi h VAL 490 CO -0.00 0.66 0.31 0.40 -1.01 0.00 0.00 177.57 177.93 1jqi h ILE 491 N 0.01 1.25 -0.23 3.17 2.04 -1.01 -1.06 117.51 121.68 1jqi h ILE 491 Ca -0.01 -0.79 -0.11 0.00 1.00 0.00 0.00 64.86 64.96 1jqi h ILE 491 Cb 1.20 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1jqi h ILE 491 CO 0.09 0.32 -0.28 -0.03 0.00 0.00 0.00 178.15 178.25 1jqi h MET 492 N 1.09 0.59 -0.78 2.37 4.05 -1.09 -3.00 114.93 118.16 1jqi h MET 492 Ca 0.25 -0.33 -0.04 0.00 -0.28 0.00 0.00 59.70 59.31 1jqi h MET 492 Cb 0.20 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 1jqi h MET 492 CO -0.02 0.93 0.34 1.03 0.23 0.00 0.00 176.91 179.42 1jqi h SER 493 N 0.29 1.05 -0.11 1.39 0.87 -0.74 -2.05 113.55 114.25 1jqi h SER 493 Ca 0.03 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1jqi h SER 493 Cb 0.85 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1jqi h SER 493 CO 0.07 0.91 0.06 0.58 -0.53 0.00 0.00 176.83 177.92 1jqi h VAL 494 N 1.12 1.10 -0.61 2.23 2.07 -1.22 -0.65 116.25 120.29 1jqi h VAL 494 Ca 0.26 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1jqi h VAL 494 Cb 0.17 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1jqi h VAL 494 CO -0.03 0.08 0.37 -1.13 0.02 0.00 0.00 177.57 176.89 1jqi h ASN 495 N 0.08 0.72 0.44 0.57 -1.24 -1.38 -1.09 115.58 113.68 1jqi h ASN 495 Ca 0.04 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 1jqi h ASN 495 Cb 0.08 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 38.96 1jqi h ASN 495 CO -0.01 0.56 -0.21 0.78 -1.29 0.00 0.00 177.43 177.26 1jqi h ASN 496 N 0.82 -0.51 0.07 1.15 2.35 -1.23 -1.88 115.58 116.36 1jqi h ASN 496 Ca 0.22 0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.86 1jqi h ASN 496 Cb -0.03 0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1jqi h ASN 496 CO -0.04 -0.27 -0.62 0.28 -1.65 0.00 0.00 177.43 175.13 1jqi h SER 497 N -0.78 0.22 0.97 5.81 0.02 -1.21 -2.20 113.55 116.38 1jqi h SER 497 Ca -0.06 -0.91 -0.21 0.00 -0.84 0.00 0.00 61.79 59.76 1jqi h SER 497 Cb 0.46 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1jqi h SER 497 CO 0.10 1.28 -1.04 -0.07 -1.14 0.00 0.00 176.83 175.96 1jqi h LEU 498 N -0.68 0.00 0.00 5.07 4.07 -1.38 -3.22 115.31 119.16 1jqi h LEU 498 Ca -0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.83 1jqi h LEU 498 Cb 1.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.11 1jqi h LEU 498 CO 0.04 0.98 -0.81 0.00 -1.08 0.00 0.00 178.44 177.57 1jqi n TYR 499 N -3.32 0.14 -0.03 1.13 9.36 -0.51 -4.51 117.16 119.42 1jqi n TYR 499 Ca -0.01 0.06 -0.10 0.00 3.32 0.00 0.00 57.90 61.17 1jqi n TYR 499 Cb 0.94 -0.49 0.05 0.00 -0.63 0.00 0.00 39.34 39.21 1jqi n TYR 499 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1jqi h LEU 500 N -0.89 0.70 -0.07 2.98 3.38 -1.43 -3.27 115.31 116.71 1jqi h LEU 500 Ca 0.00 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1jqi h LEU 500 Cb 0.81 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 1jqi h LEU 500 CO 0.00 1.06 -0.43 1.23 0.09 0.00 0.00 178.44 180.39 1jqi h GLY 501 N 0.98 -0.77 1.12 0.83 0.00 -1.40 0.13 103.07 103.96 1jqi h GLY 501 Ca 0.03 0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.86 1jqi h GLY 501 CO 0.10 -0.23 0.41 -0.56 0.00 0.00 0.00 176.54 176.25 1jqi h PRO 502 N -0.54 1.14 -0.41 4.80 0.13 -1.71 -1.97 132.00 133.45 1jqi h PRO 502 Ca 0.06 -0.15 -0.10 0.00 -0.87 0.00 0.00 66.00 64.94 1jqi h PRO 502 Cb 0.64 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1jqi h PRO 502 CO -0.36 0.86 -0.14 0.82 -0.23 0.00 0.00 178.00 178.95 1jqi h ILE 503 N 1.14 1.26 -0.17 -3.56 2.04 -1.53 -0.04 117.51 116.64 1jqi h ILE 503 Ca 0.28 -1.20 -0.14 0.00 1.00 0.00 0.00 64.86 64.80 1jqi h ILE 503 Cb 0.08 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1jqi h ILE 503 CO -0.04 0.41 -0.49 0.25 0.00 0.00 0.00 178.15 178.28 1jqi h LEU 504 N 0.67 0.51 0.16 1.44 5.85 -0.76 0.67 115.31 123.85 1jqi h LEU 504 Ca 0.11 -0.25 -0.33 0.00 0.84 0.00 0.00 57.88 58.25 1jqi h LEU 504 Cb 0.62 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1jqi h LEU 504 CO 0.04 0.92 -1.60 0.50 -0.34 0.00 0.00 178.44 177.96 1jqi h LYS 505 N 0.37 0.33 -0.00 1.25 3.64 -1.12 -3.40 116.57 117.63 1jqi h LYS 505 Ca 0.02 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1jqi h LYS 505 Cb 1.00 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1jqi h LYS 505 CO 0.09 1.22 -0.08 1.19 -2.27 0.00 0.00 179.45 179.60 1jqi n PHE 506 N -3.53 0.00 -2.26 1.91 3.72 -0.05 -5.05 117.46 112.20 1jqi n PHE 506 Ca -0.19 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.88 1jqi n PHE 506 Cb 1.06 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.59 1jqi n PHE 506 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1jqi s GLY 507 N -0.81 2.28 0.74 1.37 0.00 0.23 -4.06 107.32 107.07 1jqi s GLY 507 Ca 0.03 0.47 -0.12 0.00 0.00 0.00 0.00 44.72 45.10 1jqi s GLY 507 CO 0.09 0.78 1.11 -1.35 0.00 0.00 0.00 173.10 173.73 1jqi s SER 508 N -2.48 5.10 0.27 1.64 1.04 -1.26 -4.80 113.70 113.20 1jqi s SER 508 Ca 0.65 1.13 -0.00 0.00 0.48 0.00 0.00 55.95 58.21 1jqi s SER 508 Cb -0.16 -1.88 0.56 0.00 0.10 0.00 0.00 66.02 64.64 1jqi s SER 508 CO 0.30 -1.56 1.75 -1.28 0.98 0.00 0.00 173.24 173.43 1jqi h SER 509 N -0.81 0.49 -0.41 7.02 0.87 -1.97 -0.90 113.55 117.84 1jqi h SER 509 Ca -0.46 0.10 -0.14 0.00 -1.23 0.00 0.00 61.79 60.07 1jqi h SER 509 Cb 1.27 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1jqi h SER 509 CO 0.63 0.18 -0.27 -0.61 -0.53 0.00 0.00 176.83 176.23 1jqi h GLN 510 N 0.58 0.91 -0.54 2.24 5.75 -2.00 -2.86 115.11 119.19 1jqi h GLN 510 Ca 0.48 -0.43 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 1jqi h GLN 510 Cb 0.72 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.23 1jqi h GLN 510 CO -0.39 1.09 0.17 1.96 -2.65 0.00 0.00 178.83 179.01 1jqi h GLN 511 N 0.74 0.81 -0.72 1.69 4.20 -1.58 -1.48 115.11 118.77 1jqi h GLN 511 Ca 0.08 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1jqi h GLN 511 Cb 0.85 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 1jqi h GLN 511 CO 0.08 0.70 0.24 0.87 -0.67 0.00 0.00 178.83 180.04 1jqi h LYS 512 N 0.79 1.10 -0.28 1.46 1.57 -1.10 0.16 116.57 120.27 1jqi h LYS 512 Ca 0.18 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1jqi h LYS 512 Cb 0.23 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1jqi h LYS 512 CO -0.01 0.92 -0.25 1.96 -0.57 0.00 0.00 179.45 181.51 1jqi h GLN 513 N 1.06 0.66 -0.15 3.15 4.20 -1.22 -1.56 115.11 121.25 1jqi h GLN 513 Ca 0.23 -0.34 -0.15 0.00 0.06 0.00 0.00 58.65 58.46 1jqi h GLN 513 Cb 0.28 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1jqi h GLN 513 CO -0.01 0.94 -0.48 1.96 -0.67 0.00 0.00 178.83 180.57 1jqi h GLN 514 N 0.39 0.59 0.00 1.46 4.20 -1.11 -3.33 115.11 117.32 1jqi h GLN 514 Ca 0.05 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1jqi h GLN 514 Cb 0.81 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1jqi h GLN 514 CO 0.06 1.06 -1.03 0.91 -0.67 0.00 0.00 178.83 179.16 1jqi n TRP 515 N -4.21 0.00 -0.11 2.96 7.02 0.56 -4.55 117.44 119.11 1jqi n TRP 515 Ca -0.07 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.24 1jqi n TRP 515 Cb 0.59 -0.08 -0.06 0.00 -2.42 0.00 0.00 31.31 29.33 1jqi n TRP 515 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1jqi n ILE 516 N -1.56 1.50 -0.21 -0.99 5.41 -0.59 -4.56 119.36 118.37 1jqi n ILE 516 Ca 0.02 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1jqi n ILE 516 Cb 0.31 -2.16 0.08 0.00 -0.71 0.00 0.00 39.64 37.16 1jqi n ILE 516 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1jqi h THR 517 N -1.00 0.41 0.00 1.39 2.02 -1.65 -0.46 112.91 113.61 1jqi h THR 517 Ca -0.28 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1jqi h THR 517 Cb 1.19 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1jqi h THR 517 CO -0.17 0.01 0.00 -2.65 0.37 0.00 0.00 175.52 173.08 1jqi n PRO 518 N -5.38 0.26 -0.36 6.66 -0.02 -1.26 -2.96 135.00 131.94 1jqi n PRO 518 Ca 0.08 0.12 0.07 0.00 -2.02 0.00 0.00 63.50 61.75 1jqi n PRO 518 Cb 0.34 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.52 1jqi n PRO 518 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1jqi n PHE 519 N -1.21 0.48 0.50 6.00 3.72 -0.19 -4.12 117.46 122.65 1jqi n PHE 519 Ca 0.08 -1.09 0.07 0.00 -0.05 0.00 0.00 57.45 56.45 1jqi n PHE 519 Cb 0.09 -0.27 -0.08 0.00 -0.94 0.00 0.00 39.48 38.28 1jqi n PHE 519 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1jqi n THR 520 N -1.04 0.00 0.33 4.37 -2.24 -1.15 -4.62 114.28 109.92 1jqi n THR 520 Ca 0.21 -0.21 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1jqi n THR 520 Cb 0.79 0.82 0.13 0.00 -2.10 0.00 0.00 70.33 69.97 1jqi n THR 520 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jqi n ASN 521 N -1.47 2.73 0.00 3.42 6.94 -1.26 -4.59 115.26 121.04 1jqi n ASN 521 Ca 0.01 -1.80 0.00 0.00 -0.02 0.00 0.00 54.58 52.78 1jqi n ASN 521 Cb 0.25 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1jqi n ASN 521 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jqi n GLY 522 N 0.94 0.80 0.17 4.83 0.00 -1.26 -3.72 105.19 106.95 1jqi n GLY 522 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 1jqi n GLY 522 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jqi h ASP 523 N 0.00 0.68 -4.55 1.61 3.32 -1.92 -3.39 116.42 112.17 1jqi h ASP 523 Ca 0.00 -0.56 -0.34 0.00 0.02 0.00 0.00 57.03 56.15 1jqi h ASP 523 Cb 0.00 -0.21 -0.22 0.00 0.22 0.00 0.00 39.33 39.12 1jqi h ASP 523 CO 0.00 1.37 -0.76 -0.54 -1.72 0.00 0.00 179.24 177.59 1jqi s LYS 524 N -3.21 0.66 0.14 3.56 1.02 -1.26 -5.07 119.74 115.59 1jqi s LYS 524 Ca -0.07 -0.77 0.01 0.00 0.02 0.00 0.00 55.97 55.17 1jqi s LYS 524 Cb 0.08 -0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 36.79 1jqi s LYS 524 CO 0.89 0.12 -0.01 0.96 -0.92 0.00 0.00 175.35 176.39 1jqi s ILE 525 N -1.17 0.60 0.50 2.17 -4.36 -1.26 -4.53 121.20 113.15 1jqi s ILE 525 Ca -0.05 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1jqi s ILE 525 Cb -0.09 -1.98 0.01 0.00 1.25 0.00 0.00 42.46 41.66 1jqi s ILE 525 CO 0.01 -0.59 0.11 0.61 0.24 0.00 0.00 174.94 175.32 1jqi n GLY 526 N -0.16 3.35 3.25 6.27 0.00 -1.26 -1.34 105.19 115.29 1jqi n GLY 526 Ca -0.08 -2.35 -0.11 0.00 0.00 0.00 0.00 46.02 43.48 1jqi n GLY 526 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqi s PHE 528 N -4.10 2.50 -0.64 0.00 2.19 -1.26 -2.49 117.98 114.19 1jqi s PHE 528 Ca 0.31 -1.56 -0.02 0.00 0.33 0.00 0.00 56.93 56.00 1jqi s PHE 528 Cb 0.06 -1.72 0.16 0.00 -1.31 0.00 0.00 43.02 40.21 1jqi s PHE 528 CO 0.08 -0.75 0.44 0.00 1.83 0.00 0.00 175.22 176.83 1jqi s ALA 529 N 1.37 3.60 -0.14 11.12 0.00 -0.48 -4.72 121.76 132.52 1jqi s ALA 529 Ca 0.02 -3.34 -0.08 0.00 0.00 0.00 0.00 51.96 48.56 1jqi s ALA 529 Cb -0.15 -2.60 -0.06 0.00 0.00 0.00 0.00 23.12 20.31 1jqi s ALA 529 CO -0.10 -2.11 -0.19 -0.11 0.00 0.00 0.00 175.76 173.25 1jqi n LEU 530 N 3.29 1.13 -4.72 0.00 7.94 -1.26 -2.53 117.00 120.86 1jqi n LEU 530 Ca 0.09 0.19 -0.33 0.00 -1.11 0.00 0.00 56.01 54.86 1jqi n LEU 530 Cb 0.37 -0.46 0.11 0.00 0.53 0.00 0.00 43.42 43.97 1jqi n LEU 530 CO 0.34 0.20 0.74 -0.44 -1.11 0.00 0.00 177.39 177.12 1jqi s SER 531 N -6.30 3.98 0.15 1.96 0.01 -1.26 -4.88 113.70 107.35 1jqi s SER 531 Ca -0.20 2.17 -0.00 0.00 1.31 0.00 0.00 55.95 59.22 1jqi s SER 531 Cb 0.07 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1jqi s SER 531 CO 0.26 -2.40 0.04 -1.61 0.41 0.00 0.00 173.24 169.94 1jqi s GLU 532 N -4.33 1.00 0.30 12.44 2.02 -0.30 -0.56 118.70 129.28 1jqi s GLU 532 Ca 0.69 -1.48 0.05 0.00 0.02 0.00 0.00 54.97 54.24 1jqi s GLU 532 Cb -0.24 0.06 0.69 0.00 0.10 0.00 0.00 34.13 34.74 1jqi s GLU 532 CO 0.50 -0.22 1.81 -1.35 0.02 0.00 0.00 175.26 176.02 1jqi h PRO 533 N 2.79 0.81 -0.00 0.39 0.11 -1.89 -2.09 132.00 132.12 1jqi h PRO 533 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1jqi h PRO 533 Cb 1.20 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1jqi h PRO 533 CO 0.60 0.54 -0.25 0.41 -0.21 0.00 0.00 178.00 179.09 1jqi n GLY 534 N -1.35 -1.08 3.55 -0.55 0.00 -1.26 -4.90 105.19 99.59 1jqi n GLY 534 Ca 0.21 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1jqi n GLY 534 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jqi s ASN 535 N -2.75 -0.74 0.07 1.61 4.22 -0.79 -5.02 114.94 111.54 1jqi s ASN 535 Ca 0.19 1.32 0.00 0.00 -2.14 0.00 0.00 52.86 52.23 1jqi s ASN 535 Cb 0.19 1.28 0.00 0.00 1.28 0.00 0.00 41.25 43.99 1jqi s ASN 535 CO 0.57 -0.22 0.00 0.61 -2.04 0.00 0.00 177.10 176.02 1jqi n GLY 536 N 3.41 -0.10 0.29 0.45 0.00 -1.26 -1.15 105.19 106.83 1jqi n GLY 536 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 1jqi n GLY 536 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jqi h SER 537 N 0.00 0.88 -1.12 1.61 0.02 -1.97 -3.20 113.55 109.77 1jqi h SER 537 Ca 0.00 -0.11 -0.71 0.00 -0.84 0.00 0.00 61.79 60.13 1jqi h SER 537 Cb 0.00 -0.23 -0.11 0.00 0.14 0.00 0.00 62.40 62.21 1jqi h SER 537 CO 0.00 0.74 2.14 -0.67 -1.14 0.00 0.00 176.83 177.90 1jqi n ASP 538 N -4.48 4.83 0.24 3.07 -0.08 -1.26 -4.80 116.55 114.07 1jqi n ASP 538 Ca 0.06 -2.95 0.08 0.00 -1.51 0.00 0.00 54.79 50.46 1jqi n ASP 538 Cb 0.10 -1.64 0.60 0.00 2.34 0.00 0.00 41.12 42.52 1jqi n ASP 538 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jqi h ALA 539 N 6.87 1.72 0.00 -1.67 0.00 -1.89 -3.00 119.26 121.30 1jqi h ALA 539 Ca 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1jqi h ALA 539 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1jqi h ALA 539 CO 1.51 0.14 0.00 0.41 0.00 0.00 0.00 179.25 181.31 1jqi n GLY 540 N -1.15 -1.09 1.70 0.00 0.00 -1.26 -3.83 105.19 99.56 1jqi n GLY 540 Ca -0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1jqi n GLY 540 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqi n ALA 541 N -1.12 4.19 -1.68 4.61 0.00 -1.13 -3.72 120.51 121.66 1jqi n ALA 541 Ca 0.19 -1.73 -0.44 0.00 0.00 0.00 0.00 53.44 51.47 1jqi n ALA 541 Cb 0.16 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 1jqi n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqi n ALA 542 N -0.24 1.30 0.30 0.00 0.00 -1.25 -4.90 120.51 115.72 1jqi n ALA 542 Ca 0.33 0.41 0.10 0.00 0.00 0.00 0.00 53.44 54.28 1jqi n ALA 542 Cb 1.15 -2.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.16 1jqi n ALA 542 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jqi n SER 543 N 2.16 0.44 -4.73 0.00 7.64 -1.26 -4.73 113.62 113.15 1jqi n SER 543 Ca 0.11 -0.31 -0.42 0.00 1.01 0.00 0.00 58.87 59.26 1jqi n SER 543 Cb 0.32 1.65 -0.03 0.00 -1.01 0.00 0.00 64.21 65.15 1jqi n SER 543 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jqi s THR 544 N -3.29 2.84 0.23 0.44 2.01 -1.26 -4.88 115.64 111.73 1jqi s THR 544 Ca -0.03 0.66 0.09 0.00 0.31 0.00 0.00 61.69 62.73 1jqi s THR 544 Cb 0.14 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1jqi s THR 544 CO 0.86 0.09 -0.06 0.42 -0.69 0.00 0.00 174.62 175.24 1jqi s THR 545 N 0.42 3.26 -0.04 -0.82 -4.23 0.79 -0.61 115.64 114.40 1jqi s THR 545 Ca 0.62 -1.86 -0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1jqi s THR 545 Cb -0.41 -2.69 0.03 0.00 1.34 0.00 0.00 72.50 70.77 1jqi s THR 545 CO 0.38 -0.27 0.03 0.00 -0.54 0.00 0.00 174.62 174.22 1jqi s ALA 546 N -2.09 0.36 -0.04 3.99 0.00 -0.52 -1.03 121.76 122.42 1jqi s ALA 546 Ca 0.29 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.42 1jqi s ALA 546 Cb -0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1jqi s ALA 546 CO 0.18 -0.35 -0.23 -0.98 0.00 0.00 0.00 175.76 174.38 1jqi s ARG 547 N 1.75 2.20 -0.36 0.00 1.70 -0.54 -4.35 118.95 119.34 1jqi s ARG 547 Ca 0.00 -0.82 -0.27 0.00 -0.47 0.00 0.00 55.73 54.17 1jqi s ARG 547 Cb -0.13 -1.93 0.02 0.00 -0.57 0.00 0.00 34.95 32.34 1jqi s ARG 547 CO -0.03 0.38 0.99 -2.00 -1.08 0.00 0.00 175.30 173.56 1jqi s GLU 548 N -0.21 3.91 -0.84 3.89 2.12 -1.26 -1.06 118.70 125.25 1jqi s GLU 548 Ca -0.00 0.75 -0.00 0.00 0.36 0.00 0.00 54.97 56.07 1jqi s GLU 548 Cb -0.12 -3.79 0.35 0.00 0.26 0.00 0.00 34.13 30.83 1jqi s GLU 548 CO 0.02 -0.96 1.78 0.39 -0.54 0.00 0.00 175.26 175.95 1jqi n GLU 549 N 6.89 3.72 0.00 4.30 -0.58 0.24 -4.99 120.64 130.22 1jqi n GLU 549 Ca 0.09 -4.09 0.00 0.00 -0.42 0.00 0.00 57.16 52.74 1jqi n GLU 549 Cb 0.48 -2.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 1jqi n GLU 549 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jqi n GLY 550 N -0.36 1.77 0.25 0.62 0.00 -1.26 -3.38 105.19 102.83 1jqi n GLY 550 Ca 0.48 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.47 1jqi n GLY 550 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jqi n ASP 551 N 8.59 0.73 -3.87 1.61 3.85 -1.26 -4.87 116.55 121.33 1jqi n ASP 551 Ca 0.00 -1.77 -0.10 0.00 -0.71 0.00 0.00 54.79 52.21 1jqi n ASP 551 Cb 0.00 -0.07 -0.09 0.00 -1.35 0.00 0.00 41.12 39.61 1jqi n ASP 551 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1jqi s SER 552 N -1.29 0.09 0.04 -1.12 0.01 -1.22 -1.57 113.70 108.64 1jqi s SER 552 Ca 0.20 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 57.04 1jqi s SER 552 Cb 0.10 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 1jqi s SER 552 CO 0.15 -0.56 0.01 0.26 0.41 0.00 0.00 173.24 173.51 1jqi s TRP 553 N -2.69 3.05 -0.15 2.43 0.52 -0.35 0.81 118.94 122.56 1jqi s TRP 553 Ca -0.04 0.04 0.01 0.00 0.02 0.00 0.00 56.10 56.13 1jqi s TRP 553 Cb -0.01 -1.62 0.02 0.00 -1.15 0.00 0.00 33.47 30.72 1jqi s TRP 553 CO -0.05 0.47 -0.16 0.08 0.02 0.00 0.00 176.95 177.31 1jqi s VAL 554 N -1.19 1.70 -0.09 4.03 1.01 -0.23 -1.68 120.40 123.94 1jqi s VAL 554 Ca 0.23 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1jqi s VAL 554 Cb -0.12 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1jqi s VAL 554 CO 0.14 0.48 0.05 -0.76 0.00 0.00 0.00 175.10 175.01 1jqi s LEU 555 N 1.28 3.84 -0.06 3.92 1.02 0.35 -1.47 118.68 127.57 1jqi s LEU 555 Ca 0.01 0.25 -0.03 0.00 0.02 0.00 0.00 54.13 54.38 1jqi s LEU 555 Cb -0.14 -1.91 0.04 0.00 0.02 0.00 0.00 46.19 44.20 1jqi s LEU 555 CO -0.08 0.38 0.13 0.20 0.02 0.00 0.00 176.35 177.00 1jqi s ASN 556 N -0.97 -0.04 0.00 2.29 0.01 -0.20 -1.39 114.94 114.64 1jqi s ASN 556 Ca 0.14 0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 1jqi s ASN 556 Cb -0.12 0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.71 1jqi s ASN 556 CO 0.03 -0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.08 1jqi n GLY 557 N 4.28 0.16 2.98 0.66 0.00 -0.36 -0.15 105.19 112.76 1jqi n GLY 557 Ca -0.25 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 43.76 1jqi n GLY 557 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jqi s THR 558 N -1.74 1.06 -0.02 2.61 2.01 -1.26 -0.29 115.64 118.01 1jqi s THR 558 Ca 0.00 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 1jqi s THR 558 Cb 0.00 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1jqi s THR 558 CO 0.00 0.35 0.13 -0.54 -0.69 0.00 0.00 174.62 173.87 1jqi s LYS 559 N 0.97 3.27 0.22 4.92 -0.14 -0.17 -4.45 119.74 124.37 1jqi s LYS 559 Ca -0.09 -0.37 0.11 0.00 -1.36 0.00 0.00 55.97 54.26 1jqi s LYS 559 Cb -0.15 -3.00 -0.05 0.00 -1.68 0.00 0.00 37.83 32.96 1jqi s LYS 559 CO 0.00 0.67 -0.21 0.00 -0.76 0.00 0.00 175.35 175.06 1jqi s ALA 560 N -1.23 2.51 -1.24 5.17 0.00 0.28 -0.93 121.76 126.31 1jqi s ALA 560 Ca 0.24 -1.72 -0.06 0.00 0.00 0.00 0.00 51.96 50.43 1jqi s ALA 560 Cb -0.12 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1jqi s ALA 560 CO 0.15 0.32 1.07 0.91 0.00 0.00 0.00 175.76 178.21 1jqi n TRP 561 N -0.13 -2.53 -3.01 0.00 7.02 -1.25 -4.45 117.44 113.09 1jqi n TRP 561 Ca -0.09 0.94 -0.42 0.00 -1.02 0.00 0.00 57.50 56.91 1jqi n TRP 561 Cb 0.58 -4.88 -0.06 0.00 -2.42 0.00 0.00 31.31 24.53 1jqi n TRP 561 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1jqi s ILE 562 N -3.32 4.81 0.20 -0.99 -1.09 -0.28 -4.73 121.20 115.80 1jqi s ILE 562 Ca 0.37 0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 59.37 1jqi s ILE 562 Cb -0.16 -4.14 -0.08 0.00 -1.58 0.00 0.00 42.46 36.49 1jqi s ILE 562 CO 0.69 -0.33 1.15 -0.89 -1.23 0.00 0.00 174.94 174.33 1jqi s THR 563 N 2.92 3.65 0.00 2.92 2.01 -1.26 -2.45 115.64 123.43 1jqi s THR 563 Ca 0.29 1.45 0.00 0.00 0.31 0.00 0.00 61.69 63.74 1jqi s THR 563 Cb -0.14 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.45 1jqi s THR 563 CO 0.15 0.26 0.00 0.59 -0.69 0.00 0.00 174.62 174.93 1jqi n ASN 564 N 2.21 -0.50 -0.33 3.53 3.02 -0.67 -4.52 115.26 118.00 1jqi n ASN 564 Ca 0.03 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.71 1jqi n ASN 564 Cb 0.45 -0.40 0.31 0.00 -0.61 0.00 0.00 39.78 39.53 1jqi n ASN 564 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1jqi h SER 565 N 0.00 0.58 0.21 6.41 4.64 -1.71 0.25 113.55 123.92 1jqi h SER 565 Ca 0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1jqi h SER 565 Cb 0.02 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1jqi h SER 565 CO 0.00 0.15 -0.02 0.79 -0.87 0.00 0.00 176.83 176.87 1jqi n TRP 566 N -4.89 0.00 -0.17 4.77 7.02 -1.26 -3.81 117.44 119.09 1jqi n TRP 566 Ca 0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.70 1jqi n TRP 566 Cb 0.60 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.39 1jqi n TRP 566 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1jqi n GLU 567 N -0.93 2.14 -2.05 -0.99 4.71 -0.12 -5.09 120.64 118.31 1jqi n GLU 567 Ca 0.19 -0.14 -0.32 0.00 -0.01 0.00 0.00 57.16 56.89 1jqi n GLU 567 Cb 0.20 -0.53 -0.00 0.00 -1.01 0.00 0.00 31.44 30.10 1jqi n GLU 567 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jqi s ALA 568 N -0.35 2.97 -0.66 0.62 0.00 0.70 -4.61 121.76 120.44 1jqi s ALA 568 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.12 1jqi s ALA 568 Cb 0.00 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 20.03 1jqi s ALA 568 CO 0.00 -0.62 0.64 0.43 0.00 0.00 0.00 175.76 176.22 1jqi n SER 569 N -2.26 1.38 -3.49 0.00 7.64 -0.45 -4.73 113.62 111.71 1jqi n SER 569 Ca 0.07 -1.19 -0.13 0.00 1.01 0.00 0.00 58.87 58.63 1jqi n SER 569 Cb 0.54 0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.76 1jqi n SER 569 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jqi s ALA 570 N -0.52 -1.73 0.03 -0.43 0.00 -1.25 -1.20 121.76 116.65 1jqi s ALA 570 Ca 0.06 0.97 -0.08 0.00 0.00 0.00 0.00 51.96 52.92 1jqi s ALA 570 Cb 0.05 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.50 1jqi s ALA 570 CO 0.08 -0.58 0.15 -0.08 0.00 0.00 0.00 175.76 175.33 1jqi s THR 571 N -2.54 0.11 -0.35 0.00 -1.32 0.27 -2.36 115.64 109.45 1jqi s THR 571 Ca -0.02 -0.91 -0.05 0.00 -1.21 0.00 0.00 61.69 59.50 1jqi s THR 571 Cb -0.01 -0.80 0.06 0.00 -1.51 0.00 0.00 72.50 70.24 1jqi s THR 571 CO -0.04 -0.50 0.12 -0.69 -2.21 0.00 0.00 174.62 171.31 1jqi s VAL 572 N -2.31 3.62 0.06 5.08 1.01 -1.04 -0.98 120.40 125.85 1jqi s VAL 572 Ca -0.07 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.57 1jqi s VAL 572 Cb -0.03 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1jqi s VAL 572 CO -0.03 -0.30 0.06 0.54 0.00 0.00 0.00 175.10 175.38 1jqi s VAL 573 N 1.34 4.45 -0.23 2.92 0.11 0.11 -1.38 120.40 127.72 1jqi s VAL 573 Ca -0.00 -0.73 -0.02 0.00 -2.93 0.00 0.00 61.98 58.29 1jqi s VAL 573 Cb -0.21 -3.11 0.01 0.00 -1.53 0.00 0.00 36.38 31.54 1jqi s VAL 573 CO 0.01 0.18 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.54 1jqi s PHE 574 N -1.32 3.00 0.08 1.54 0.08 -1.05 -0.47 117.98 119.84 1jqi s PHE 574 Ca 0.27 -1.31 0.04 0.00 0.12 0.00 0.00 56.93 56.05 1jqi s PHE 574 Cb -0.12 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 1jqi s PHE 574 CO 0.19 -0.67 -0.12 0.00 -0.10 0.00 0.00 175.22 174.53 1jqi s ALA 575 N 1.39 1.06 0.14 5.36 0.00 -0.68 -4.83 121.76 124.20 1jqi s ALA 575 Ca 0.03 -1.04 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 1jqi s ALA 575 Cb -0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.86 1jqi s ALA 575 CO -0.05 0.06 0.67 0.45 0.00 0.00 0.00 175.76 176.90 1jqi s SER 576 N -1.99 7.16 -0.01 0.00 0.15 0.22 -1.07 113.70 118.16 1jqi s SER 576 Ca -0.00 1.42 0.19 0.00 0.70 0.00 0.00 55.95 58.25 1jqi s SER 576 Cb -0.07 -2.42 -0.23 0.00 -1.71 0.00 0.00 66.02 61.59 1jqi s SER 576 CO 0.01 0.18 0.69 0.35 1.20 0.00 0.00 173.24 175.68 1jqi n THR 577 N 1.38 0.00 -3.20 6.45 -2.24 0.52 -1.44 114.28 115.74 1jqi n THR 577 Ca -0.07 -0.17 0.01 0.00 -2.27 0.00 0.00 64.05 61.56 1jqi n THR 577 Cb 0.50 0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 69.46 1jqi n THR 577 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jqi s ASP 578 N -3.19 -1.55 0.66 3.42 -1.08 -1.25 -4.92 116.67 108.75 1jqi s ASP 578 Ca 0.03 -0.64 0.33 0.00 -0.52 0.00 0.00 52.55 51.75 1jqi s ASP 578 Cb 0.14 1.98 1.78 0.00 -1.46 0.00 0.00 42.92 45.35 1jqi s ASP 578 CO 0.78 -0.19 2.02 0.03 0.52 0.00 0.00 175.17 178.33 1jqi h ARG 579 N 7.15 0.00 0.00 4.34 3.08 -1.89 -1.09 114.38 125.97 1jqi h ARG 579 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1jqi h ARG 579 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1jqi h ARG 579 CO 0.11 0.00 -0.20 0.66 -1.07 0.00 0.00 179.97 179.47 1jqi h SER 580 N 0.00 0.00 -0.10 7.04 4.64 -1.99 -2.90 113.55 120.24 1jqi h SER 580 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1jqi h SER 580 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1jqi h SER 580 CO -0.00 0.20 0.00 0.54 -0.87 0.00 0.00 176.83 176.70 1jqi n ARG 581 N -3.23 1.39 0.00 4.77 1.74 -0.41 -5.00 116.66 115.92 1jqi n ARG 581 Ca 0.02 -0.59 0.00 0.00 -0.77 0.00 0.00 57.85 56.50 1jqi n ARG 581 Cb 0.51 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 1jqi n ARG 581 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1jqi n GLN 582 N -0.17 0.00 0.00 5.56 6.02 -1.10 -1.78 117.38 125.91 1jqi n GLN 582 Ca 0.14 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.18 1jqi n GLN 582 Cb 0.20 0.00 0.32 0.00 1.02 0.00 0.00 30.24 31.78 1jqi n GLN 582 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1jqi n ASN 583 N 4.33 0.00 -0.63 1.08 6.94 -1.24 -2.40 115.26 123.34 1jqi n ASN 583 Ca 0.00 -1.14 0.08 0.00 -0.02 0.00 0.00 54.58 53.51 1jqi n ASN 583 Cb 0.00 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.48 1jqi n ASN 583 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1jqi n LYS 584 N -0.73 1.40 -0.44 -3.83 5.02 -0.74 -4.30 118.16 114.55 1jqi n LYS 584 Ca 0.08 -1.40 0.08 0.00 -2.02 0.00 0.00 58.31 55.05 1jqi n LYS 584 Cb 0.04 -1.32 0.26 0.00 -0.02 0.00 0.00 35.03 33.99 1jqi n LYS 584 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jqi n GLY 585 N 0.98 3.75 3.83 0.72 0.00 -1.01 -4.67 105.19 108.79 1jqi n GLY 585 Ca 0.09 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 1jqi n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jqi s ILE 586 N -2.53 4.96 0.10 -0.61 -1.09 -1.26 -0.36 121.20 120.42 1jqi s ILE 586 Ca 0.40 0.93 0.04 0.00 -2.23 0.00 0.00 60.65 59.79 1jqi s ILE 586 Cb 0.31 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 37.40 1jqi s ILE 586 CO 0.11 0.56 -0.10 -0.44 -1.23 0.00 0.00 174.94 173.85 1jqi s SER 587 N -1.02 1.46 -0.09 3.58 0.01 -0.23 -0.66 113.70 116.74 1jqi s SER 587 Ca 0.25 -0.87 -0.02 0.00 1.31 0.00 0.00 55.95 56.62 1jqi s SER 587 Cb -0.17 0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 1jqi s SER 587 CO 0.15 -0.30 -0.01 0.00 0.41 0.00 0.00 173.24 173.48 1jqi s ALA 588 N -2.76 3.21 0.06 1.44 0.00 -1.26 -1.68 121.76 120.76 1jqi s ALA 588 Ca 0.08 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1jqi s ALA 588 Cb -0.01 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1jqi s ALA 588 CO -0.01 0.55 -0.12 -0.06 0.00 0.00 0.00 175.76 176.12 1jqi s PHE 589 N -0.75 1.06 -0.23 0.00 0.40 0.38 -0.48 117.98 118.35 1jqi s PHE 589 Ca 0.12 -0.46 -0.10 0.00 -0.60 0.00 0.00 56.93 55.89 1jqi s PHE 589 Cb -0.11 -0.61 -0.05 0.00 0.51 0.00 0.00 43.02 42.76 1jqi s PHE 589 CO 0.02 0.02 0.13 -0.51 0.70 0.00 0.00 175.22 175.58 1jqi s LEU 590 N -1.65 3.97 -0.09 -0.37 1.43 -0.24 -0.71 118.68 121.02 1jqi s LEU 590 Ca -0.04 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1jqi s LEU 590 Cb -0.10 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1jqi s LEU 590 CO 0.02 0.06 -0.15 -0.69 0.23 0.00 0.00 176.35 175.82 1jqi s VAL 591 N 1.05 1.40 0.55 -1.59 1.01 -0.15 -4.84 120.40 117.82 1jqi s VAL 591 Ca 0.06 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 1jqi s VAL 591 Cb -0.14 -1.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 1jqi s VAL 591 CO 0.04 0.42 1.02 -2.16 0.00 0.00 0.00 175.10 174.42 1jqi s PRO 592 N 0.75 3.68 -0.04 2.72 0.04 -1.26 -0.56 135.00 140.32 1jqi s PRO 592 Ca -0.12 1.09 0.01 0.00 0.04 0.00 0.00 61.00 62.02 1jqi s PRO 592 Cb -0.16 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1jqi s PRO 592 CO 0.03 -0.51 -0.05 -1.64 0.04 0.00 0.00 177.00 174.87 1jqi s MET 593 N -4.01 0.87 0.83 4.56 -1.94 -0.34 -4.03 119.30 115.22 1jqi s MET 593 Ca 0.61 -0.13 -0.12 0.00 -1.71 0.00 0.00 55.69 54.34 1jqi s MET 593 Cb -0.13 -0.85 0.09 0.00 2.01 0.00 0.00 34.83 35.95 1jqi s MET 593 CO 0.33 -0.06 1.18 -1.25 -0.01 0.00 0.00 175.02 175.20 1jqi s PRO 594 N 0.83 1.83 -0.07 2.03 0.04 -1.26 -4.37 135.00 134.03 1jqi s PRO 594 Ca -0.12 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.75 1jqi s PRO 594 Cb -0.14 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.55 1jqi s PRO 594 CO 0.01 -1.69 0.78 -0.08 0.04 0.00 0.00 177.00 176.06 1jqi s THR 595 N -3.55 0.00 0.24 1.26 -1.32 -1.26 -5.11 115.64 105.90 1jqi s THR 595 Ca 0.62 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.79 1jqi s THR 595 Cb -0.11 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.75 1jqi s THR 595 CO 0.50 0.00 1.50 -2.65 -2.21 0.00 0.00 174.62 171.76 1jqi n PRO 596 N 0.74 2.26 -0.52 7.08 -0.02 -1.26 -2.10 135.00 141.18 1jqi n PRO 596 Ca -0.16 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1jqi n PRO 596 Cb 0.58 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1jqi n PRO 596 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jqi n GLY 597 N 2.51 0.75 2.95 -1.23 0.00 -1.26 -4.28 105.19 104.64 1jqi n GLY 597 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1jqi n GLY 597 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jqi s LEU 598 N 0.00 1.81 0.15 0.99 1.98 -0.89 -0.83 118.68 121.89 1jqi s LEU 598 Ca 0.00 -0.66 0.10 0.00 -2.89 0.00 0.00 54.13 50.68 1jqi s LEU 598 Cb 0.00 -1.07 -0.04 0.00 0.66 0.00 0.00 46.19 45.74 1jqi s LEU 598 CO 0.00 -0.14 -0.24 0.42 -1.89 0.00 0.00 176.35 174.51 1jqi s THR 599 N 1.53 2.10 0.06 3.68 -4.23 -0.66 -4.58 115.64 113.55 1jqi s THR 599 Ca 0.01 -1.81 -0.12 0.00 -1.18 0.00 0.00 61.69 58.60 1jqi s THR 599 Cb -0.15 -1.91 -0.06 0.00 1.34 0.00 0.00 72.50 71.72 1jqi s THR 599 CO -0.09 -0.05 0.42 -0.76 -0.54 0.00 0.00 174.62 173.60 1jqi s LEU 600 N -2.27 4.39 0.79 4.79 1.43 -1.26 -0.68 118.68 125.87 1jqi s LEU 600 Ca 0.14 0.88 -0.10 0.00 -1.03 0.00 0.00 54.13 54.02 1jqi s LEU 600 Cb -0.09 -2.88 0.09 0.00 0.03 0.00 0.00 46.19 43.34 1jqi s LEU 600 CO 0.07 0.22 1.13 -0.83 0.23 0.00 0.00 176.35 177.17 1jqi s GLY 601 N -1.52 1.65 0.50 -3.19 0.00 0.65 -4.94 107.32 100.46 1jqi s GLY 601 Ca 0.30 -0.84 -0.21 0.00 0.00 0.00 0.00 44.72 43.98 1jqi s GLY 601 CO 0.17 -0.34 1.09 -1.59 0.00 0.00 0.00 173.10 172.43 1jqi s LYS 602 N -5.49 3.65 0.30 2.90 -2.85 -1.26 -4.57 119.74 112.42 1jqi s LYS 602 Ca 0.63 1.54 -0.30 0.00 -1.00 0.00 0.00 55.97 56.84 1jqi s LYS 602 Cb -0.10 -2.14 -0.12 0.00 -2.06 0.00 0.00 37.83 33.40 1jqi s LYS 602 CO 0.48 -0.59 1.42 1.63 0.10 0.00 0.00 175.35 178.38 1jqi n LYS 603 N -0.95 2.28 -2.86 1.78 5.02 -1.26 -4.62 118.16 117.55 1jqi n LYS 603 Ca 0.10 0.81 -0.41 0.00 -2.02 0.00 0.00 58.31 56.79 1jqi n LYS 603 Cb 0.51 -2.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.00 1jqi n LYS 603 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1jqi s GLU 604 N -1.10 4.58 -0.37 1.97 0.41 0.80 -5.00 118.70 120.00 1jqi s GLU 604 Ca 0.61 1.25 -0.21 0.00 -0.41 0.00 0.00 54.97 56.21 1jqi s GLU 604 Cb -0.57 -3.38 0.01 0.00 -1.78 0.00 0.00 34.13 28.40 1jqi s GLU 604 CO 0.55 0.21 0.66 0.34 -0.49 0.00 0.00 175.26 176.54 1jqi s ASP 605 N 0.10 6.44 0.39 -0.19 2.15 -1.26 -4.71 116.67 119.58 1jqi s ASP 605 Ca 0.43 0.13 0.06 0.00 0.43 0.00 0.00 52.55 53.60 1jqi s ASP 605 Cb -0.22 -2.34 -0.07 0.00 -0.30 0.00 0.00 42.92 39.99 1jqi s ASP 605 CO 0.26 -0.64 0.03 -1.59 -0.17 0.00 0.00 175.17 173.06 1jqi s LYS 606 N 2.79 1.87 0.16 4.34 -2.85 -1.26 -5.05 119.74 119.74 1jqi s LYS 606 Ca 0.25 -2.06 -0.13 0.00 -1.00 0.00 0.00 55.97 53.04 1jqi s LYS 606 Cb -0.14 -1.38 0.05 0.00 -2.06 0.00 0.00 37.83 34.30 1jqi s LYS 606 CO 0.16 -0.11 1.74 1.25 0.10 0.00 0.00 175.35 178.49 1jqi h LEU 607 N 1.87 0.71 0.00 2.77 5.85 -1.96 -3.46 115.31 121.09 1jqi h LEU 607 Ca -0.43 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.12 1jqi h LEU 607 Cb 1.24 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1jqi h LEU 607 CO 0.77 0.65 -0.04 0.61 -0.34 0.00 0.00 178.44 180.10 1jqi n GLY 608 N -0.90 3.94 3.64 3.75 0.00 -1.26 -4.78 105.19 109.59 1jqi n GLY 608 Ca 0.03 -1.68 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 1jqi n GLY 608 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jqi n ILE 609 N -0.05 -0.61 0.45 -0.61 -5.35 -1.26 -4.78 119.36 107.16 1jqi n ILE 609 Ca 0.01 -0.30 0.12 0.00 -0.27 0.00 0.00 62.75 62.31 1jqi n ILE 609 Cb 0.05 -0.62 0.47 0.00 -1.74 0.00 0.00 39.64 37.80 1jqi n ILE 609 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1jqi n ARG 610 N -3.25 0.22 0.02 6.28 1.74 -1.26 -2.60 116.66 117.81 1jqi n ARG 610 Ca -0.20 0.37 0.13 0.00 -0.77 0.00 0.00 57.85 57.39 1jqi n ARG 610 Cb 0.44 -1.87 0.54 0.00 -1.02 0.00 0.00 32.46 30.55 1jqi n ARG 610 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jqi n ALA 611 N -1.79 2.21 -2.85 7.54 0.00 -1.26 -4.39 120.51 119.97 1jqi n ALA 611 Ca 0.03 -0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 1jqi n ALA 611 Cb 0.29 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.26 1jqi n ALA 611 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jqi s SER 612 N -3.29 6.38 0.10 0.00 1.04 -1.07 -3.62 113.70 113.24 1jqi s SER 612 Ca 0.12 0.32 -0.08 0.00 0.48 0.00 0.00 55.95 56.79 1jqi s SER 612 Cb 0.16 -1.98 -0.06 0.00 0.10 0.00 0.00 66.02 64.25 1jqi s SER 612 CO 0.50 0.05 0.40 -0.94 0.98 0.00 0.00 173.24 174.23 1jqi s SER 613 N -2.93 6.59 -0.06 7.02 1.04 -1.26 -4.97 113.70 119.13 1jqi s SER 613 Ca 0.37 0.74 -0.03 0.00 0.48 0.00 0.00 55.95 57.51 1jqi s SER 613 Cb -0.12 -2.15 0.04 0.00 0.10 0.00 0.00 66.02 63.89 1jqi s SER 613 CO 0.28 0.13 0.12 -0.89 0.98 0.00 0.00 173.24 173.86 1jqi s THR 614 N -1.49 -0.18 0.09 2.02 2.01 -1.26 -1.66 115.64 115.18 1jqi s THR 614 Ca 0.36 0.36 -0.26 0.00 0.31 0.00 0.00 61.69 62.46 1jqi s THR 614 Cb -0.13 -0.23 0.08 0.00 0.01 0.00 0.00 72.50 72.23 1jqi s THR 614 CO 0.20 0.15 0.79 0.00 -0.69 0.00 0.00 174.62 175.07 1jqi s ALA 615 N 2.08 -1.68 0.54 7.40 0.00 -1.03 -0.14 121.76 128.94 1jqi s ALA 615 Ca 0.02 0.61 -0.18 0.00 0.00 0.00 0.00 51.96 52.41 1jqi s ALA 615 Cb -0.12 0.63 -0.06 0.00 0.00 0.00 0.00 23.12 23.57 1jqi s ALA 615 CO -0.05 -0.79 1.06 -0.80 0.00 0.00 0.00 175.76 175.18 1jqi s ASN 616 N -2.67 6.03 -0.17 0.00 0.02 -1.26 -1.13 114.94 115.76 1jqi s ASN 616 Ca 0.05 1.90 -0.01 0.00 -1.02 0.00 0.00 52.86 53.78 1jqi s ASN 616 Cb -0.01 -2.55 -0.00 0.00 0.02 0.00 0.00 41.25 38.70 1jqi s ASN 616 CO -0.07 -1.00 -0.12 -0.76 0.02 0.00 0.00 177.10 175.16 1jqi s LEU 617 N -3.98 2.62 -0.24 0.60 1.43 -0.11 -0.26 118.68 118.74 1jqi s LEU 617 Ca 0.66 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.28 1jqi s LEU 617 Cb -0.17 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1jqi s LEU 617 CO 0.28 0.07 0.01 -0.63 0.23 0.00 0.00 176.35 176.31 1jqi s ILE 618 N 0.91 3.68 -0.26 -0.59 1.01 0.15 -1.00 121.20 125.10 1jqi s ILE 618 Ca -0.03 -0.49 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 1jqi s ILE 618 Cb -0.15 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 1jqi s ILE 618 CO -0.01 0.32 0.11 -0.36 0.00 0.00 0.00 174.94 175.00 1jqi s PHE 619 N 1.51 3.13 -0.39 3.97 0.08 0.60 -1.65 117.98 125.23 1jqi s PHE 619 Ca 0.05 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.84 1jqi s PHE 619 Cb -0.15 -2.28 0.12 0.00 -0.57 0.00 0.00 43.02 40.13 1jqi s PHE 619 CO -0.01 -0.31 0.15 -1.21 -0.10 0.00 0.00 175.22 173.75 1jqi s GLU 620 N 1.66 1.30 -1.32 0.44 2.02 -0.01 -1.22 118.70 121.57 1jqi s GLU 620 Ca 0.06 -1.83 -0.02 0.00 0.02 0.00 0.00 54.97 53.21 1jqi s GLU 620 Cb -0.15 -2.64 -0.00 0.00 0.10 0.00 0.00 34.13 31.43 1jqi s GLU 620 CO 0.06 -1.05 0.61 -0.25 0.02 0.00 0.00 175.26 174.65 1jqi n ASP 621 N 4.00 -1.27 -4.63 -0.19 8.00 -0.99 -4.54 116.55 116.94 1jqi n ASP 621 Ca 0.04 -0.90 -0.42 0.00 0.71 0.00 0.00 54.79 54.21 1jqi n ASP 621 Cb 0.38 -3.66 -0.04 0.00 -0.02 0.00 0.00 41.12 37.79 1jqi n ASP 621 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jqi s ARG 623 N 3.16 4.18 0.06 0.00 0.52 -1.26 -0.49 118.95 125.12 1jqi s ARG 623 Ca 0.38 -0.03 0.04 0.00 -0.52 0.00 0.00 55.73 55.60 1jqi s ARG 623 Cb -0.14 -3.41 -0.03 0.00 0.52 0.00 0.00 34.95 31.90 1jqi s ARG 623 CO 0.11 0.30 -0.13 0.96 0.02 0.00 0.00 175.30 176.56 1jqi s ILE 624 N 0.32 0.98 0.62 1.52 -4.36 -0.68 -4.96 121.20 114.64 1jqi s ILE 624 Ca 0.13 -1.18 -0.18 0.00 -0.26 0.00 0.00 60.65 59.17 1jqi s ILE 624 Cb -0.12 -0.95 -0.05 0.00 1.25 0.00 0.00 42.46 42.58 1jqi s ILE 624 CO 0.02 -0.20 0.79 -2.65 0.24 0.00 0.00 174.94 173.13 1jqi n PRO 625 N 1.48 0.67 -0.24 0.37 -0.02 -1.26 -1.21 135.00 134.78 1jqi n PRO 625 Ca -0.21 0.27 0.09 0.00 -2.02 0.00 0.00 63.50 61.64 1jqi n PRO 625 Cb 0.54 -2.00 0.36 0.00 -0.02 0.00 0.00 33.50 32.38 1jqi n PRO 625 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1jqi h LYS 626 N 0.24 0.72 0.00 -0.52 3.64 -1.61 -1.85 116.57 117.19 1jqi h LYS 626 Ca -0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1jqi h LYS 626 Cb 1.37 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1jqi h LYS 626 CO 0.48 0.48 0.00 -0.85 -2.27 0.00 0.00 179.45 177.29 1jqi n GLU 627 N -4.52 0.74 -0.01 1.90 0.00 -1.26 -3.06 120.64 114.42 1jqi n GLU 627 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.44 1jqi n GLU 627 Cb 0.37 -1.07 0.57 0.00 0.00 0.00 0.00 31.44 31.30 1jqi n GLU 627 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1jqi n ASN 628 N -0.57 1.23 -4.70 -1.84 4.13 -0.70 -4.83 115.26 107.98 1jqi n ASN 628 Ca 0.03 -1.45 -0.42 0.00 1.68 0.00 0.00 54.58 54.42 1jqi n ASN 628 Cb 0.01 -0.02 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 1jqi n ASN 628 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1jqi s LEU 629 N -1.92 4.33 -0.35 3.41 2.96 -1.17 -1.08 118.68 124.86 1jqi s LEU 629 Ca 0.38 2.13 -0.15 0.00 -0.22 0.00 0.00 54.13 56.27 1jqi s LEU 629 Cb 0.20 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.32 1jqi s LEU 629 CO 0.33 -0.67 0.35 -0.22 -1.32 0.00 0.00 176.35 174.81 1jqi s LEU 630 N 2.02 4.48 0.00 -0.68 2.96 0.36 -4.94 118.68 122.88 1jqi s LEU 630 Ca 0.63 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 1jqi s LEU 630 Cb -0.32 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.06 1jqi s LEU 630 CO 0.27 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.58 1jqi n GLY 631 N 4.99 -1.50 3.91 7.98 0.00 -1.26 -4.22 105.19 115.10 1jqi n GLY 631 Ca -0.10 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 1jqi n GLY 631 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jqi s GLU 632 N 0.00 3.61 0.29 1.61 0.41 -1.26 -5.03 118.70 118.33 1jqi s GLU 632 Ca 0.00 -0.08 -0.30 0.00 -0.41 0.00 0.00 54.97 54.18 1jqi s GLU 632 Cb 0.00 -2.72 -0.11 0.00 -1.78 0.00 0.00 34.13 29.52 1jqi s GLU 632 CO 0.00 0.30 1.57 -2.14 -0.49 0.00 0.00 175.26 174.50 1jqi s PRO 633 N -3.34 4.14 0.00 0.39 0.02 -1.26 -1.70 135.00 133.25 1jqi s PRO 633 Ca 0.42 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1jqi s PRO 633 Cb -0.11 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1jqi s PRO 633 CO 0.28 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 1jqi n GLY 634 N 2.19 0.83 0.79 0.52 0.00 -1.15 -4.87 105.19 103.51 1jqi n GLY 634 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1jqi n GLY 634 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1jqi n MET 635 N -2.23 2.09 -0.31 1.61 0.00 -0.69 -4.56 117.12 113.03 1jqi n MET 635 Ca 0.00 -1.58 0.03 0.00 0.00 0.00 0.00 57.70 56.14 1jqi n MET 635 Cb 0.00 -1.47 0.17 0.00 0.00 0.00 0.00 33.22 31.92 1jqi n MET 635 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1jqi h GLY 636 N 4.76 1.36 0.88 -5.12 0.00 -1.09 -1.93 103.07 101.94 1jqi h GLY 636 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1jqi h GLY 636 CO 0.00 0.19 0.08 -2.75 0.00 0.00 0.00 176.54 174.05 1jqi h PHE 637 N 0.90 0.35 -0.98 5.60 3.04 -1.80 -0.53 116.94 123.52 1jqi h PHE 637 Ca 0.41 -0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.36 1jqi h PHE 637 Cb 0.31 -0.10 -0.06 0.00 2.56 0.00 0.00 35.95 38.67 1jqi h PHE 637 CO -0.04 0.41 0.65 -0.22 -2.02 0.00 0.00 178.31 177.08 1jqi h LYS 638 N 0.20 1.22 -0.63 1.11 3.64 -1.83 0.24 116.57 120.52 1jqi h LYS 638 Ca 0.07 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1jqi h LYS 638 Cb 0.22 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1jqi h LYS 638 CO -0.00 0.81 0.04 0.82 -2.27 0.00 0.00 179.45 178.84 1jqi h ILE 639 N 1.26 1.27 -0.25 2.00 2.04 -1.04 -1.23 117.51 121.56 1jqi h ILE 639 Ca 0.39 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 1jqi h ILE 639 Cb -0.03 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1jqi h ILE 639 CO -0.11 0.41 0.06 0.00 0.00 0.00 0.00 178.15 178.50 1jqi h ALA 640 N 1.03 0.33 -0.37 1.87 0.00 -0.07 -1.77 119.26 120.27 1jqi h ALA 640 Ca 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1jqi h ALA 640 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1jqi h ALA 640 CO 0.02 -0.02 0.14 0.52 0.00 0.00 0.00 179.25 179.92 1jqi h MET 641 N 0.22 0.56 0.00 0.00 2.86 -0.85 -1.55 114.93 116.17 1jqi h MET 641 Ca 0.08 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1jqi h MET 641 Cb 0.29 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1jqi h MET 641 CO 0.00 0.54 -0.51 1.96 1.06 0.00 0.00 176.91 179.97 1jqi h GLN 642 N 0.45 0.00 -0.33 1.72 4.20 -1.23 -2.31 115.11 117.61 1jqi h GLN 642 Ca 0.12 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 1jqi h GLN 642 Cb 0.20 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1jqi h GLN 642 CO -0.01 0.51 -0.18 1.15 -0.67 0.00 0.00 178.83 179.63 1jqi h THR 643 N 0.00 1.29 0.00 -0.54 2.02 -1.11 -2.95 112.91 111.62 1jqi h THR 643 Ca -0.01 -1.30 -0.05 0.00 0.77 0.00 0.00 66.41 65.83 1jqi h THR 643 Cb 0.92 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1jqi h THR 643 CO 0.07 0.42 -0.22 -0.07 0.37 0.00 0.00 175.52 176.09 1jqi h LEU 644 N 0.47 0.00 -1.01 2.58 3.38 -1.11 -0.47 115.31 119.15 1jqi h LEU 644 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1jqi h LEU 644 Cb 0.72 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1jqi h LEU 644 CO 0.05 0.22 0.20 0.44 0.09 0.00 0.00 178.44 179.44 1jqi h ASP 645 N 0.00 0.84 -0.02 -0.43 3.32 -1.24 0.30 116.42 119.19 1jqi h ASP 645 Ca -0.00 -0.13 -0.18 0.00 0.02 0.00 0.00 57.03 56.73 1jqi h ASP 645 Cb 0.46 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.81 1jqi h ASP 645 CO 0.03 0.78 -0.70 0.24 -1.72 0.00 0.00 179.24 177.87 1jqi h MET 646 N 0.88 0.51 -0.35 3.56 2.86 -1.31 -3.29 114.93 117.79 1jqi h MET 646 Ca 0.20 -0.52 -0.01 0.00 -2.06 0.00 0.00 59.70 57.31 1jqi h MET 646 Cb 0.24 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1jqi h MET 646 CO -0.01 1.16 0.16 0.78 1.06 0.00 0.00 176.91 180.05 1jqi h GLY 647 N 0.07 0.51 2.00 8.32 0.00 -0.83 -2.60 103.07 110.54 1jqi h GLY 647 Ca -0.08 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1jqi h GLY 647 CO 0.14 0.22 -0.31 3.21 0.00 0.00 0.00 176.54 179.80 1jqi h ARG 648 N 0.48 0.00 -0.12 4.80 3.08 -1.01 -0.72 114.38 120.89 1jqi h ARG 648 Ca 0.12 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 1jqi h ARG 648 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1jqi h ARG 648 CO -0.02 0.31 -0.40 0.82 -1.07 0.00 0.00 179.97 179.61 1jqi h ILE 649 N 0.00 1.30 -0.17 2.04 2.04 -1.56 -1.26 117.51 119.90 1jqi h ILE 649 Ca -0.00 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.34 1jqi h ILE 649 Cb 0.57 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1jqi h ILE 649 CO 0.04 0.45 -0.01 1.23 0.00 0.00 0.00 178.15 179.85 1jqi h GLY 650 N 1.19 0.33 1.90 5.37 0.00 -1.11 -1.97 103.07 108.77 1jqi h GLY 650 Ca 0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1jqi h GLY 650 CO 0.06 0.23 -0.32 -2.22 0.00 0.00 0.00 176.54 174.29 1jqi h ILE 651 N 0.04 1.25 -0.67 2.60 1.08 -1.14 -1.41 117.51 119.27 1jqi h ILE 651 Ca 0.05 -1.20 -0.04 0.00 -0.39 0.00 0.00 64.86 63.27 1jqi h ILE 651 Cb 0.41 1.56 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 1jqi h ILE 651 CO 0.01 0.35 0.24 0.00 -0.69 0.00 0.00 178.15 178.07 1jqi h ALA 652 N 1.57 0.87 -0.37 1.87 0.00 -1.07 -1.41 119.26 120.73 1jqi h ALA 652 Ca 0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1jqi h ALA 652 Cb 0.62 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1jqi h ALA 652 CO 0.05 0.51 -0.20 0.77 0.00 0.00 0.00 179.25 180.38 1jqi h SER 653 N 0.95 0.70 -0.41 0.00 0.02 -0.65 -1.89 113.55 112.28 1jqi h SER 653 Ca 0.22 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1jqi h SER 653 Cb 0.25 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1jqi h SER 653 CO -0.01 0.89 0.02 -0.61 -1.14 0.00 0.00 176.83 175.98 1jqi h GLN 654 N 0.62 0.71 -0.86 3.45 4.15 -0.93 -2.55 115.11 119.69 1jqi h GLN 654 Ca 0.09 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 1jqi h GLN 654 Cb 0.67 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.25 1jqi h GLN 654 CO 0.05 0.78 0.47 0.00 -1.93 0.00 0.00 178.83 178.19 1jqi h ALA 655 N 0.90 1.20 -0.76 3.38 0.00 -1.08 -1.62 119.26 121.28 1jqi h ALA 655 Ca 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jqi h ALA 655 Cb 0.44 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1jqi h ALA 655 CO 0.02 0.64 0.50 -0.07 0.00 0.00 0.00 179.25 180.34 1jqi h LEU 656 N 1.21 0.86 -0.28 0.00 3.38 -1.16 -0.42 115.31 118.90 1jqi h LEU 656 Ca 0.30 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 1jqi h LEU 656 Cb 0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1jqi h LEU 656 CO -0.05 0.62 -0.04 1.23 0.09 0.00 0.00 178.44 180.29 1jqi h GLY 657 N 1.01 0.57 1.00 0.83 0.00 -0.90 0.06 103.07 105.64 1jqi h GLY 657 Ca 0.28 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1jqi h GLY 657 CO -0.07 0.41 0.22 -2.22 0.00 0.00 0.00 176.54 174.88 1jqi h ILE 658 N 0.29 1.24 -0.75 2.60 2.04 -0.99 -1.39 117.51 120.56 1jqi h ILE 658 Ca 0.07 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.10 1jqi h ILE 658 Cb 0.50 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1jqi h ILE 658 CO 0.02 0.30 0.23 0.00 0.00 0.00 0.00 178.15 178.70 1jqi h ALA 659 N 1.08 0.99 -0.31 1.87 0.00 -0.95 -1.53 119.26 120.41 1jqi h ALA 659 Ca 0.20 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1jqi h ALA 659 Cb 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jqi h ALA 659 CO -0.01 0.67 -0.10 0.37 0.00 0.00 0.00 179.25 180.17 1jqi h GLN 660 N 1.11 0.62 -0.81 0.00 5.75 -0.76 -1.38 115.11 119.65 1jqi h GLN 660 Ca 0.24 -0.25 0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1jqi h GLN 660 Cb 0.31 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 1jqi h GLN 660 CO -0.01 0.82 0.53 0.00 -2.65 0.00 0.00 178.83 177.53 1jqi h ALA 661 N 0.78 1.48 -0.26 3.38 0.00 -1.11 -0.67 119.26 122.87 1jqi h ALA 661 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1jqi h ALA 661 Cb 0.61 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1jqi h ALA 661 CO 0.04 0.45 0.00 0.77 0.00 0.00 0.00 179.25 180.52 1jqi h SER 662 N 1.03 0.44 -0.35 0.00 0.02 -1.00 -2.12 113.55 111.57 1jqi h SER 662 Ca 0.31 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1jqi h SER 662 Cb -0.02 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1jqi h SER 662 CO -0.08 0.64 0.15 0.25 -1.14 0.00 0.00 176.83 176.64 1jqi h LEU 663 N 0.23 0.47 -0.92 5.07 5.85 -0.80 -1.26 115.31 123.95 1jqi h LEU 663 Ca 0.07 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.74 1jqi h LEU 663 Cb 0.41 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 1jqi h LEU 663 CO 0.01 0.50 0.56 0.44 -0.34 0.00 0.00 178.44 179.61 1jqi h ASP 664 N 0.42 0.83 -0.43 1.25 3.45 -1.09 -0.30 116.42 120.55 1jqi h ASP 664 Ca 0.12 0.04 -0.11 0.00 0.43 0.00 0.00 57.03 57.51 1jqi h ASP 664 Cb 0.17 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 1jqi h ASP 664 CO -0.01 0.47 -0.15 0.00 -1.57 0.00 0.00 179.24 177.98 1jqi h ALA 666 N 0.85 0.57 0.19 0.00 0.00 -0.38 -2.04 119.26 118.45 1jqi h ALA 666 Ca 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1jqi h ALA 666 Cb 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jqi h ALA 666 CO 0.05 0.38 -0.09 0.28 0.00 0.00 0.00 179.25 179.87 1jqi h VAL 667 N 0.59 0.90 -0.51 0.00 2.07 -1.10 -0.28 116.25 117.93 1jqi h VAL 667 Ca 0.12 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.19 1jqi h VAL 667 Cb 0.51 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1jqi h VAL 667 CO 0.03 0.12 0.16 0.50 0.02 0.00 0.00 177.57 178.39 1jqi h LYS 668 N -0.52 0.31 -0.35 1.57 3.11 -1.47 -1.85 116.57 117.37 1jqi h LYS 668 Ca -0.03 -0.02 -0.15 0.00 -2.81 0.00 0.00 60.65 57.65 1jqi h LYS 668 Cb 0.39 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 1jqi h LYS 668 CO 0.04 0.21 -0.36 -0.92 -2.81 0.00 0.00 179.45 175.61 1jqi h TYR 669 N 0.32 0.96 0.00 1.91 3.20 -1.36 -3.12 116.97 118.89 1jqi h TYR 669 Ca 0.25 -0.28 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1jqi h TYR 669 Cb 0.29 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 1jqi h TYR 669 CO -0.18 1.05 -0.15 0.00 -1.64 0.00 0.00 178.16 177.24 1jqi h ALA 670 N 0.91 1.43 0.00 1.82 0.00 -0.41 -1.21 119.26 121.80 1jqi h ALA 670 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jqi h ALA 670 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1jqi h ALA 670 CO 0.08 0.19 -0.60 0.93 0.00 0.00 0.00 179.25 179.85 1jqi h GLU 671 N 0.00 0.00 0.03 0.00 5.08 -1.30 -1.91 114.58 116.48 1jqi h GLU 671 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 1jqi h GLU 671 Cb 0.33 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 1jqi h GLU 671 CO 0.02 0.00 -2.35 0.09 -1.00 0.00 0.00 179.01 175.77 1jqi n ASN 672 N -2.66 1.91 -4.73 1.42 3.02 -1.02 -4.83 115.26 108.37 1jqi n ASN 672 Ca 0.02 -0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 1jqi n ASN 672 Cb 0.52 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1jqi n ASN 672 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1jqi s ARG 673 N -2.53 4.38 0.03 3.52 6.06 -0.49 -4.96 118.95 124.97 1jqi s ARG 673 Ca -0.30 2.00 0.03 0.00 -2.50 0.00 0.00 55.73 54.96 1jqi s ARG 673 Cb 0.08 -3.24 -0.04 0.00 0.06 0.00 0.00 34.95 31.82 1jqi s ARG 673 CO 0.65 -0.29 -0.01 -1.01 -2.50 0.00 0.00 175.30 172.14 1jqi s HIS 674 N 0.52 3.02 -0.18 5.12 3.76 -1.26 -1.60 115.29 124.67 1jqi s HIS 674 Ca 0.59 0.03 -0.11 0.00 -0.15 0.00 0.00 55.06 55.42 1jqi s HIS 674 Cb -0.35 -1.62 0.06 0.00 1.11 0.00 0.00 32.58 31.78 1jqi s HIS 674 CO 0.34 0.45 0.44 0.00 -0.85 0.00 0.00 174.74 175.13 1jqi s ALA 675 N -1.14 -1.14 -1.49 -1.40 0.00 -0.27 -4.91 121.76 111.42 1jqi s ALA 675 Ca 0.21 1.57 -0.11 0.00 0.00 0.00 0.00 51.96 53.62 1jqi s ALA 675 Cb -0.11 -0.94 0.07 0.00 0.00 0.00 0.00 23.12 22.13 1jqi s ALA 675 CO 0.12 -0.27 0.96 1.19 0.00 0.00 0.00 175.76 177.76 1jqi n PHE 676 N 4.00 -2.29 0.00 0.00 3.01 -1.26 -2.83 117.46 118.09 1jqi n PHE 676 Ca -0.21 0.91 0.00 0.00 1.01 0.00 0.00 57.45 59.15 1jqi n PHE 676 Cb 0.56 -4.12 0.00 0.00 -0.01 0.00 0.00 39.48 35.91 1jqi n PHE 676 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jqi n GLY 677 N -1.70 3.13 3.33 1.37 0.00 -1.26 -5.03 105.19 105.03 1jqi n GLY 677 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1jqi n GLY 677 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqi s ALA 678 N -2.14 1.95 0.78 4.61 0.00 -1.13 -5.09 121.76 120.75 1jqi s ALA 678 Ca 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 50.07 1jqi s ALA 678 Cb 0.00 1.15 0.07 0.00 0.00 0.00 0.00 23.12 24.33 1jqi s ALA 678 CO 0.00 -0.50 1.20 -2.14 0.00 0.00 0.00 175.76 174.31 1jqi s PRO 679 N -3.83 1.82 0.41 0.00 0.02 -1.26 -1.11 135.00 131.05 1jqi s PRO 679 Ca 0.36 1.72 0.08 0.00 0.02 0.00 0.00 61.00 63.18 1jqi s PRO 679 Cb 0.05 -1.80 0.89 0.00 0.02 0.00 0.00 34.50 33.66 1jqi s PRO 679 CO 0.17 -2.07 2.05 -0.07 -0.33 0.00 0.00 177.00 176.75 1jqi h LEU 680 N -0.73 0.45 0.00 -5.54 3.38 -0.50 -1.99 115.31 110.38 1jqi h LEU 680 Ca -0.46 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1jqi h LEU 680 Cb 1.29 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1jqi h LEU 680 CO 0.47 0.32 0.01 0.35 0.09 0.00 0.00 178.44 179.69 1jqi n THR 681 N -4.48 1.52 0.42 0.22 -2.24 -1.02 -0.76 114.28 107.95 1jqi n THR 681 Ca 0.04 0.40 0.12 0.00 -2.27 0.00 0.00 64.05 62.33 1jqi n THR 681 Cb 0.11 -1.40 0.11 0.00 -2.10 0.00 0.00 70.33 67.06 1jqi n THR 681 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1jqi h LYS 682 N 0.00 0.00 -6.29 -0.78 1.79 -1.69 -3.43 116.57 106.17 1jqi h LYS 682 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 1jqi h LYS 682 Cb 0.03 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 1jqi h LYS 682 CO 0.00 0.00 0.58 -0.51 -1.08 0.00 0.00 179.45 178.44 1jqi s LEU 683 N -4.62 4.27 0.21 2.94 1.43 0.06 -4.94 118.68 118.03 1jqi s LEU 683 Ca 0.04 1.62 -0.10 0.00 -1.03 0.00 0.00 54.13 54.67 1jqi s LEU 683 Cb 0.12 -3.56 0.27 0.00 0.03 0.00 0.00 46.19 43.06 1jqi s LEU 683 CO 0.74 -0.46 1.75 -0.61 0.23 0.00 0.00 176.35 178.00 1jqi h GLN 684 N 7.13 0.41 -0.99 1.70 4.15 -1.87 -1.69 115.11 123.95 1jqi h GLN 684 Ca -0.33 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.13 1jqi h GLN 684 Cb 1.16 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.69 1jqi h GLN 684 CO 0.85 0.27 0.64 -0.97 -1.93 0.00 0.00 178.83 177.69 1jqi h ASN 685 N 0.42 1.01 -0.65 -0.69 -0.73 -1.94 -0.83 115.58 112.17 1jqi h ASN 685 Ca 0.31 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.42 1jqi h ASN 685 Cb 0.37 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 38.73 1jqi h ASN 685 CO -0.30 0.64 0.14 0.40 -0.37 0.00 0.00 177.43 177.94 1jqi h ILE 686 N 1.14 1.26 -0.78 2.57 1.08 -1.61 -2.16 117.51 119.02 1jqi h ILE 686 Ca 0.43 -0.96 -0.03 0.00 -0.39 0.00 0.00 64.86 63.91 1jqi h ILE 686 Cb 0.19 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 1jqi h ILE 686 CO -0.17 0.36 0.35 1.56 -0.69 0.00 0.00 178.15 179.56 1jqi h GLN 687 N 0.96 1.14 -0.52 2.37 4.20 -0.69 -2.25 115.11 120.31 1jqi h GLN 687 Ca 0.20 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1jqi h GLN 687 Cb 0.38 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1jqi h GLN 687 CO 0.00 0.90 0.02 0.74 -0.67 0.00 0.00 178.83 179.82 1jqi h PHE 688 N 1.11 0.93 -0.25 2.96 -1.00 -0.93 -1.61 116.94 118.15 1jqi h PHE 688 Ca 0.26 -0.13 -0.05 0.00 2.81 0.00 0.00 57.97 60.86 1jqi h PHE 688 Cb 0.15 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 1jqi h PHE 688 CO 0.01 0.84 -0.03 0.87 -1.61 0.00 0.00 178.31 178.39 1jqi h LYS 689 N 0.81 0.47 -0.94 1.51 1.57 -1.16 -1.75 116.57 117.09 1jqi h LYS 689 Ca 0.16 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jqi h LYS 689 Cb 0.46 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1jqi h LYS 689 CO 0.02 0.67 0.60 -0.07 -0.57 0.00 0.00 179.45 180.10 1jqi h LEU 690 N 0.22 1.10 -0.23 2.94 3.38 -1.28 0.12 115.31 121.56 1jqi h LEU 690 Ca 0.07 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jqi h LEU 690 Cb 0.48 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1jqi h LEU 690 CO 0.02 0.81 0.13 0.00 0.09 0.00 0.00 178.44 179.49 1jqi h ALA 691 N 1.33 0.29 -0.60 1.53 0.00 -1.13 0.08 119.26 120.76 1jqi h ALA 691 Ca 0.34 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1jqi h ALA 691 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jqi h ALA 691 CO -0.07 -0.19 0.08 -0.44 0.00 0.00 0.00 179.25 178.63 1jqi h ASP 692 N 0.27 0.95 -0.50 0.00 3.45 -0.88 -0.96 116.42 118.74 1jqi h ASP 692 Ca 0.08 -0.22 -0.02 0.00 0.43 0.00 0.00 57.03 57.29 1jqi h ASP 692 Cb 0.05 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.55 1jqi h ASP 692 CO -0.01 0.96 0.22 0.24 -1.57 0.00 0.00 179.24 179.08 1jqi h MET 693 N 0.93 0.74 -0.40 3.56 2.86 -0.47 -2.12 114.93 120.03 1jqi h MET 693 Ca 0.18 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1jqi h MET 693 Cb 0.43 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1jqi h MET 693 CO 0.01 0.63 0.09 0.00 1.06 0.00 0.00 176.91 178.71 1jqi h ALA 694 N 1.06 0.53 -0.11 6.32 0.00 -0.69 -2.58 119.26 123.79 1jqi h ALA 694 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jqi h ALA 694 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jqi h ALA 694 CO -0.02 0.22 0.06 1.25 0.00 0.00 0.00 179.25 180.76 1jqi h LEU 695 N 0.51 0.10 -1.24 0.00 6.46 -1.05 -1.68 115.31 118.41 1jqi h LEU 695 Ca 0.12 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1jqi h LEU 695 Cb 0.33 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 1jqi h LEU 695 CO 0.00 0.08 0.38 0.00 -0.62 0.00 0.00 178.44 178.28 1jqi h ALA 696 N 1.05 1.42 -0.00 1.25 0.00 -1.36 -1.40 119.26 120.22 1jqi h ALA 696 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1jqi h ALA 696 Cb -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1jqi h ALA 696 CO -0.02 0.49 -0.02 1.25 0.00 0.00 0.00 179.25 180.95 1jqi h LEU 697 N 0.91 0.03 -1.09 0.00 5.85 -1.23 -2.03 115.31 117.74 1jqi h LEU 697 Ca 0.24 -0.66 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 1jqi h LEU 697 Cb -0.00 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1jqi h LEU 697 CO -0.04 0.68 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.23 1jqi h GLU 698 N -0.63 0.43 -0.21 1.25 5.08 -1.31 -1.18 114.58 118.01 1jqi h GLU 698 Ca -0.00 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1jqi h GLU 698 Cb 0.68 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1jqi h GLU 698 CO 0.00 0.60 0.05 1.03 -1.00 0.00 0.00 179.01 179.69 1jqi h SER 699 N 0.39 0.33 0.57 1.42 0.87 -1.31 -2.27 113.55 113.54 1jqi h SER 699 Ca 0.07 -0.23 -0.07 0.00 -1.23 0.00 0.00 61.79 60.33 1jqi h SER 699 Cb 0.54 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1jqi h SER 699 CO 0.04 0.47 -0.31 0.00 -0.53 0.00 0.00 176.83 176.50 1jqi h ALA 700 N 0.86 1.20 -0.37 6.23 0.00 -1.11 -2.89 119.26 123.18 1jqi h ALA 700 Ca 0.07 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1jqi h ALA 700 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1jqi h ALA 700 CO 0.00 0.39 -0.38 -0.09 0.00 0.00 0.00 179.25 179.18 1jqi h ARG 701 N 0.00 0.89 -0.58 0.00 2.43 -0.91 -2.13 114.38 114.07 1jqi h ARG 701 Ca -0.00 -0.46 -0.05 0.00 -0.81 0.00 0.00 59.98 58.65 1jqi h ARG 701 Cb 0.68 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 1jqi h ARG 701 CO 0.04 1.11 0.14 -0.07 -1.51 0.00 0.00 179.97 179.69 1jqi h LEU 702 N 0.73 0.85 -0.55 3.80 3.38 -1.21 0.32 115.31 122.63 1jqi h LEU 702 Ca 0.06 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1jqi h LEU 702 Cb 0.96 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1jqi h LEU 702 CO 0.09 0.82 0.08 -0.07 0.09 0.00 0.00 178.44 179.45 1jqi h LEU 703 N 0.87 0.88 -0.10 1.67 3.38 -1.41 -1.14 115.31 119.46 1jqi h LEU 703 Ca 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1jqi h LEU 703 Cb 0.31 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1jqi h LEU 703 CO -0.00 0.92 0.03 0.74 0.09 0.00 0.00 178.44 180.22 1jqi h THR 704 N 0.80 1.16 -0.50 0.22 2.02 -0.94 -2.10 112.91 113.57 1jqi h THR 704 Ca 0.16 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 1jqi h THR 704 Cb 0.42 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1jqi h THR 704 CO 0.01 0.15 0.20 -0.50 0.37 0.00 0.00 175.52 175.75 1jqi h TRP 705 N -0.01 0.70 0.04 3.16 4.06 -0.88 -1.81 115.95 121.22 1jqi h TRP 705 Ca 0.03 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 1jqi h TRP 705 Cb 0.20 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1jqi h TRP 705 CO -0.01 0.55 -0.02 -0.09 -3.56 0.00 0.00 178.44 175.31 1jqi h ARG 706 N 0.70 -0.05 -0.87 0.49 2.43 -0.96 -0.52 114.38 115.60 1jqi h ARG 706 Ca 0.17 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1jqi h ARG 706 Cb 0.13 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 1jqi h ARG 706 CO -0.02 0.03 0.55 0.00 -1.51 0.00 0.00 179.97 179.02 1jqi h ALA 707 N 0.84 1.17 -0.24 2.80 0.00 -1.09 -0.81 119.26 121.93 1jqi h ALA 707 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jqi h ALA 707 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1jqi h ALA 707 CO 0.01 0.35 0.12 0.00 0.00 0.00 0.00 179.25 179.73 1jqi h ALA 708 N 1.38 0.30 -0.36 0.00 0.00 -1.05 -1.64 119.26 117.90 1jqi h ALA 708 Ca 0.36 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1jqi h ALA 708 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1jqi h ALA 708 CO -0.14 -0.14 -0.08 0.52 0.00 0.00 0.00 179.25 179.40 1jqi h MET 709 N 0.26 0.60 -0.43 0.00 2.07 -0.65 -0.46 114.93 116.32 1jqi h MET 709 Ca 0.08 -0.17 -0.07 0.00 -2.07 0.00 0.00 59.70 57.48 1jqi h MET 709 Cb 0.10 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 29.75 1jqi h MET 709 CO -0.01 0.68 0.01 -0.07 1.07 0.00 0.00 176.91 178.59 1jqi h LEU 710 N 0.56 0.73 -0.42 1.22 3.38 -0.98 -0.16 115.31 119.63 1jqi h LEU 710 Ca 0.11 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1jqi h LEU 710 Cb 0.48 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1jqi h LEU 710 CO 0.03 0.85 0.22 0.50 0.09 0.00 0.00 178.44 180.12 1jqi h LYS 711 N 0.59 0.42 -0.12 1.13 3.11 -0.94 -0.37 116.57 120.38 1jqi h LYS 711 Ca 0.12 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.89 1jqi h LYS 711 Cb 0.47 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.59 1jqi h LYS 711 CO 0.02 0.28 -0.15 -0.44 -2.81 0.00 0.00 179.45 176.35 1jqi h ASP 712 N 0.44 0.18 -0.12 4.20 3.32 -0.71 -1.91 116.42 121.82 1jqi h ASP 712 Ca 0.18 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1jqi h ASP 712 Cb 0.07 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1jqi h ASP 712 CO -0.12 0.35 0.00 0.59 -1.72 0.00 0.00 179.24 178.35 1jqi n ASN 713 N -4.28 1.25 -3.39 6.45 5.03 -0.11 -4.92 115.26 115.30 1jqi n ASN 713 Ca -0.01 -1.63 -0.19 0.00 0.87 0.00 0.00 54.58 53.62 1jqi n ASN 713 Cb 0.27 -0.08 0.08 0.00 -1.02 0.00 0.00 39.78 39.03 1jqi n ASN 713 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1jqi n LYS 714 N 0.04 -6.94 -4.16 3.52 4.01 -0.55 -5.03 118.16 109.06 1jqi n LYS 714 Ca 0.16 0.80 -0.23 0.00 -0.51 0.00 0.00 58.31 58.53 1jqi n LYS 714 Cb 0.26 -5.73 -0.06 0.00 -0.51 0.00 0.00 35.03 28.99 1jqi n LYS 714 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1jqi s LYS 715 N -5.74 2.38 0.42 1.97 -0.14 -0.26 -5.04 119.74 113.34 1jqi s LYS 715 Ca 0.26 -1.48 -0.26 0.00 -1.36 0.00 0.00 55.97 53.13 1jqi s LYS 715 Cb -0.11 -2.19 -0.08 0.00 -1.68 0.00 0.00 37.83 33.76 1jqi s LYS 715 CO 0.70 0.20 1.31 -2.14 -0.76 0.00 0.00 175.35 174.66 1jqi s PRO 716 N -3.80 3.89 0.00 -1.68 0.02 -1.26 -4.43 135.00 127.75 1jqi s PRO 716 Ca 0.36 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1jqi s PRO 716 Cb -0.04 -2.71 0.00 0.00 0.02 0.00 0.00 34.50 31.78 1jqi s PRO 716 CO 0.22 -0.56 0.59 1.97 -0.33 0.00 0.00 177.00 178.89 1jqi n PHE 717 N 0.01 0.00 0.11 6.54 1.16 -1.26 -4.87 117.46 119.15 1jqi n PHE 717 Ca 0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.49 1jqi n PHE 717 Cb 0.44 0.05 -0.07 0.00 -1.61 0.00 0.00 39.48 38.29 1jqi n PHE 717 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1jqi h THR 718 N 4.74 0.76 -0.12 1.97 2.02 -1.93 0.25 112.91 120.60 1jqi h THR 718 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1jqi h THR 718 Cb 1.14 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1jqi h THR 718 CO 0.00 0.00 0.04 0.50 0.37 0.00 0.00 175.52 176.43 1jqi h LYS 719 N -0.26 0.18 -0.38 6.66 3.64 -1.91 -1.41 116.57 123.08 1jqi h LYS 719 Ca -0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1jqi h LYS 719 Cb 0.23 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1jqi h LYS 719 CO -0.01 0.31 0.18 0.93 -2.27 0.00 0.00 179.45 178.59 1jqi h GLU 720 N 0.01 0.53 -0.38 1.90 3.07 -1.89 -0.90 114.58 116.92 1jqi h GLU 720 Ca 0.04 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.68 1jqi h GLU 720 Cb 0.21 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1jqi h GLU 720 CO -0.00 0.41 -0.39 1.03 -1.40 0.00 0.00 179.01 178.66 1jqi h SER 721 N 0.53 0.99 -0.51 1.42 0.87 -0.29 -2.51 113.55 114.05 1jqi h SER 721 Ca 0.14 -0.46 -0.13 0.00 -1.23 0.00 0.00 61.79 60.11 1jqi h SER 721 Cb 0.06 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1jqi h SER 721 CO -0.02 1.25 -0.18 0.00 -0.53 0.00 0.00 176.83 177.35 1jqi h ALA 722 N 0.79 0.71 -0.47 6.23 0.00 -0.60 -2.35 119.26 123.56 1jqi h ALA 722 Ca 0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1jqi h ALA 722 Cb 0.99 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1jqi h ALA 722 CO 0.10 0.68 0.27 0.52 0.00 0.00 0.00 179.25 180.82 1jqi h MET 723 N 0.89 0.65 0.09 0.00 2.86 -1.13 -1.32 114.93 116.97 1jqi h MET 723 Ca 0.12 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1jqi h MET 723 Cb 0.76 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1jqi h MET 723 CO 0.06 0.50 -0.04 0.00 1.06 0.00 0.00 176.91 178.49 1jqi h ALA 724 N 1.12 -0.12 -0.77 6.32 0.00 -1.36 0.05 119.26 124.51 1jqi h ALA 724 Ca 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jqi h ALA 724 Cb 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1jqi h ALA 724 CO -0.03 -0.54 0.51 -0.22 0.00 0.00 0.00 179.25 178.96 1jqi h LYS 725 N -0.16 1.00 0.53 0.00 3.11 -1.36 -0.57 116.57 119.12 1jqi h LYS 725 Ca -0.01 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.74 1jqi h LYS 725 Cb 0.13 -0.23 0.01 0.00 -1.00 0.00 0.00 32.23 31.14 1jqi h LYS 725 CO 0.02 0.66 -0.26 1.25 -2.81 0.00 0.00 179.45 178.32 1jqi h LEU 726 N 1.03 -0.61 -1.00 5.20 5.85 -1.04 -1.58 115.31 123.17 1jqi h LEU 726 Ca 0.28 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1jqi h LEU 726 Cb -0.11 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1jqi h LEU 726 CO -0.07 -0.26 0.66 0.00 -0.34 0.00 0.00 178.44 178.43 1jqi h ALA 727 N -0.70 1.31 -0.18 1.25 0.00 -0.94 -1.90 119.26 118.10 1jqi h ALA 727 Ca -0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1jqi h ALA 727 Cb 0.63 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jqi h ALA 727 CO 0.12 0.58 -0.37 0.00 0.00 0.00 0.00 179.25 179.59 1jqi h ALA 728 N 1.40 0.29 -0.69 0.00 0.00 -1.14 -2.04 119.26 117.08 1jqi h ALA 728 Ca 0.39 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1jqi h ALA 728 Cb -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1jqi h ALA 728 CO -0.11 0.36 0.34 0.66 0.00 0.00 0.00 179.25 180.50 1jqi h SER 729 N 0.22 0.89 0.82 0.00 4.64 -1.13 -0.42 113.55 118.58 1jqi h SER 729 Ca 0.00 -0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.10 1jqi h SER 729 Cb 0.97 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1jqi h SER 729 CO 0.08 0.76 -0.49 -0.33 -0.87 0.00 0.00 176.83 175.98 1jqi h GLU 730 N 0.96 0.00 -0.20 4.77 5.08 -1.37 -2.97 114.58 120.85 1jqi h GLU 730 Ca 0.24 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.39 1jqi h GLU 730 Cb 0.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1jqi h GLU 730 CO -0.03 0.49 -0.67 0.00 -1.00 0.00 0.00 179.01 177.80 1jqi h ALA 731 N 1.51 0.35 -0.87 3.43 0.00 -0.97 -2.39 119.26 120.32 1jqi h ALA 731 Ca -0.00 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.36 1jqi h ALA 731 Cb 1.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1jqi h ALA 731 CO 0.06 0.65 0.58 0.00 0.00 0.00 0.00 179.25 180.54 1jqi h ALA 732 N 0.59 1.39 -0.05 0.00 0.00 -0.94 0.23 119.26 120.50 1jqi h ALA 732 Ca -0.03 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 1jqi h ALA 732 Cb 1.29 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 18.76 1jqi h ALA 732 CO 0.14 0.56 -0.93 1.15 0.00 0.00 0.00 179.25 180.16 1jqi h THR 733 N 1.16 1.29 -0.20 0.00 2.02 -1.52 -1.66 112.91 114.00 1jqi h THR 733 Ca 0.32 -2.15 -0.03 0.00 0.77 0.00 0.00 66.41 65.32 1jqi h THR 733 Cb -0.11 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1jqi h THR 733 CO -0.08 0.67 -0.01 0.00 0.37 0.00 0.00 175.52 176.47 1jqi h ALA 734 N 0.44 0.27 -0.29 6.16 0.00 -1.06 -1.06 119.26 123.72 1jqi h ALA 734 Ca -0.10 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1jqi h ALA 734 Cb 1.59 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1jqi h ALA 734 CO 0.19 -0.00 -0.05 0.82 0.00 0.00 0.00 179.25 180.20 1jqi h ILE 735 N 0.11 1.28 -0.03 0.00 2.04 -0.63 -1.85 117.51 118.42 1jqi h ILE 735 Ca 0.06 -1.06 -0.08 0.00 1.00 0.00 0.00 64.86 64.78 1jqi h ILE 735 Cb 0.41 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1jqi h ILE 735 CO 0.01 0.34 -0.33 0.77 0.00 0.00 0.00 178.15 178.94 1jqi h SER 736 N 0.31 0.06 -0.24 1.72 4.64 -1.33 -0.53 113.55 118.18 1jqi h SER 736 Ca 0.08 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1jqi h SER 736 Cb 0.52 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1jqi h SER 736 CO 0.03 0.39 0.02 -0.74 -0.87 0.00 0.00 176.83 175.66 1jqi h HIS 737 N 0.05 0.44 0.00 4.77 -0.00 -0.99 -2.83 115.15 116.59 1jqi h HIS 737 Ca 0.00 -0.07 -0.08 0.00 -0.00 0.00 0.00 60.37 60.23 1jqi h HIS 737 Cb 0.62 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 1jqi h HIS 737 CO 0.00 0.55 -0.38 1.96 -0.00 0.00 0.00 177.93 180.06 1jqi h GLN 738 N 0.20 0.00 -0.60 5.26 1.08 -0.97 -2.63 115.11 117.45 1jqi h GLN 738 Ca 0.07 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1jqi h GLN 738 Cb 0.36 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 1jqi h GLN 738 CO 0.01 0.38 0.19 0.00 -0.95 0.00 0.00 178.83 178.46 1jqi h ALA 739 N 1.62 0.79 -0.35 3.87 0.00 -0.97 -0.33 119.26 123.89 1jqi h ALA 739 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1jqi h ALA 739 Cb 0.68 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1jqi h ALA 739 CO 0.05 0.46 0.20 0.82 0.00 0.00 0.00 179.25 180.78 1jqi h ILE 740 N 0.86 1.13 -0.52 0.00 2.04 -1.26 -2.22 117.51 117.55 1jqi h ILE 740 Ca 0.20 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.76 1jqi h ILE 740 Cb 0.29 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1jqi h ILE 740 CO -0.01 0.13 0.28 -0.61 0.00 0.00 0.00 178.15 177.95 1jqi h GLN 741 N 0.44 0.54 -0.08 2.37 5.75 -1.11 -1.07 115.11 121.94 1jqi h GLN 741 Ca 0.12 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.54 1jqi h GLN 741 Cb 0.04 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1jqi h GLN 741 CO -0.02 0.36 -0.17 0.82 -2.65 0.00 0.00 178.83 177.17 1jqi h ILE 742 N 0.55 1.17 0.00 2.39 2.04 -0.83 -1.43 117.51 121.40 1jqi h ILE 742 Ca 0.22 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1jqi h ILE 742 Cb 0.09 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1jqi h ILE 742 CO -0.13 0.23 -0.14 -0.07 0.00 0.00 0.00 178.15 178.04 1jqi h LEU 743 N 0.13 0.00 0.00 1.44 4.07 -0.80 -3.47 115.31 116.67 1jqi h LEU 743 Ca 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1jqi h LEU 743 Cb 0.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1jqi h LEU 743 CO 0.02 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 178.00 1jqi n GLY 744 N 1.20 2.41 0.36 0.83 0.00 -0.46 -2.80 105.19 106.73 1jqi n GLY 744 Ca 0.04 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.77 1jqi n GLY 744 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jqi h GLY 745 N 0.00 1.60 2.00 -0.02 0.00 -1.89 -0.32 103.07 104.43 1jqi h GLY 745 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1jqi h GLY 745 CO 0.00 0.10 0.00 -0.33 0.00 0.00 0.00 176.54 176.31 1jqi h MET 746 N 0.90 0.00 -0.00 4.80 2.07 -1.87 -2.22 114.93 118.61 1jqi h MET 746 Ca 0.51 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.14 1jqi h MET 746 Cb 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 1jqi h MET 746 CO -0.28 0.00 -0.14 0.41 1.07 0.00 0.00 176.91 177.97 1jqi n GLY 747 N -0.80 -1.15 0.49 8.32 0.00 -0.13 -3.62 105.19 108.30 1jqi n GLY 747 Ca -0.01 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1jqi n GLY 747 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jqi n TYR 748 N -1.20 0.00 -4.20 1.61 9.36 -0.83 -3.71 117.16 118.18 1jqi n TYR 748 Ca 0.11 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 61.05 1jqi n TYR 748 Cb 0.30 -0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.92 1jqi n TYR 748 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1jqi s VAL 749 N -2.48 3.66 -0.65 2.97 -7.23 -1.24 -5.00 120.40 110.43 1jqi s VAL 749 Ca 0.18 -1.29 0.16 0.00 -1.81 0.00 0.00 61.98 59.22 1jqi s VAL 749 Cb 0.18 -2.78 0.15 0.00 0.56 0.00 0.00 36.38 34.49 1jqi s VAL 749 CO 0.57 0.00 1.48 0.35 -0.31 0.00 0.00 175.10 177.20 1jqi n THR 750 N 0.28 1.18 0.16 5.32 -2.24 -1.26 -2.54 114.28 115.18 1jqi n THR 750 Ca -0.11 0.42 0.05 0.00 -2.27 0.00 0.00 64.05 62.14 1jqi n THR 750 Cb 0.54 -1.34 0.51 0.00 -2.10 0.00 0.00 70.33 67.94 1jqi n THR 750 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1jqi h GLU 751 N 0.00 0.17 -6.20 -0.78 5.08 -1.95 -3.42 114.58 107.48 1jqi h GLU 751 Ca 0.00 -0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.80 1jqi h GLU 751 Cb 0.17 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1jqi h GLU 751 CO 0.00 0.20 -0.56 -1.64 -1.00 0.00 0.00 179.01 176.01 1jqi s MET 752 N -5.00 2.86 0.04 2.33 -1.94 -1.05 -5.04 119.30 111.50 1jqi s MET 752 Ca -0.06 -1.00 0.27 0.00 -1.71 0.00 0.00 55.69 53.20 1jqi s MET 752 Cb 0.16 -2.57 0.84 0.00 2.01 0.00 0.00 34.83 35.28 1jqi s MET 752 CO 0.70 0.44 1.68 -0.35 -0.01 0.00 0.00 175.02 177.48 1jqi n PRO 753 N -0.76 0.07 -0.26 2.03 -0.04 -1.26 -4.31 135.00 130.47 1jqi n PRO 753 Ca -0.08 0.04 0.06 0.00 -0.04 0.00 0.00 63.50 63.48 1jqi n PRO 753 Cb 0.56 -1.57 0.20 0.00 -0.04 0.00 0.00 33.50 32.65 1jqi n PRO 753 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jqi h ALA 754 N 2.87 1.10 -0.25 0.55 0.00 -1.89 -1.00 119.26 120.64 1jqi h ALA 754 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1jqi h ALA 754 Cb 0.57 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1jqi h ALA 754 CO 0.00 -0.20 -0.07 1.05 0.00 0.00 0.00 179.25 180.02 1jqi h GLU 755 N 0.46 0.40 -0.21 0.00 -0.00 -1.75 -2.04 114.58 111.45 1jqi h GLU 755 Ca 0.43 -0.09 -0.17 0.00 -0.00 0.00 0.00 59.36 59.53 1jqi h GLU 755 Cb 0.65 -0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 29.34 1jqi h GLU 755 CO -0.41 0.49 -0.56 -0.09 -0.00 0.00 0.00 179.01 178.44 1jqi h ARG 756 N 0.38 0.64 -0.73 1.06 2.43 -1.49 -2.44 114.38 114.24 1jqi h ARG 756 Ca 0.08 -0.41 0.01 0.00 -0.81 0.00 0.00 59.98 58.84 1jqi h ARG 756 Cb 0.37 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1jqi h ARG 756 CO 0.02 1.03 0.48 1.88 -1.51 0.00 0.00 179.97 181.86 1jqi h TYR 757 N 0.49 0.92 -0.48 2.20 0.05 -0.81 0.83 116.97 120.17 1jqi h TYR 757 Ca 0.01 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.82 1jqi h TYR 757 Cb 1.12 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 38.53 1jqi h TYR 757 CO 0.05 0.58 0.30 -0.92 -1.05 0.00 0.00 178.16 177.13 1jqi h TYR 758 N 0.99 0.58 -0.22 4.88 3.20 -1.24 0.10 116.97 125.25 1jqi h TYR 758 Ca 0.27 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 1jqi h TYR 758 Cb -0.11 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 1jqi h TYR 758 CO -0.02 0.35 0.03 0.00 -1.64 0.00 0.00 178.16 176.88 1jqi h ARG 759 N 0.62 0.37 -0.53 1.82 3.08 -0.94 -2.84 114.38 115.96 1jqi h ARG 759 Ca 0.18 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1jqi h ARG 759 Cb -0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1jqi h ARG 759 CO -0.05 0.52 -0.02 -0.44 -1.07 0.00 0.00 179.97 178.90 1jqi h ASP 760 N 0.16 0.90 -0.62 7.04 3.32 -0.65 -3.01 116.42 123.57 1jqi h ASP 760 Ca 0.07 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1jqi h ASP 760 Cb 0.33 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1jqi h ASP 760 CO 0.01 0.97 0.35 0.00 -1.72 0.00 0.00 179.24 178.84 1jqi h ALA 761 N 1.12 1.41 -0.84 3.45 0.00 -0.73 -3.03 119.26 120.65 1jqi h ALA 761 Ca 0.15 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1jqi h ALA 761 Cb 0.53 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1jqi h ALA 761 CO 0.03 0.48 0.55 -0.09 0.00 0.00 0.00 179.25 180.22 1jqi h ARG 762 N 0.88 0.57 0.00 0.00 9.65 -1.35 -1.90 114.38 122.23 1jqi h ARG 762 Ca 0.23 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 59.00 1jqi h ARG 762 Cb 0.03 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.47 1jqi h ARG 762 CO -0.04 0.38 -0.36 0.97 2.80 0.00 0.00 179.97 183.72 1jqi h ILE 763 N 0.59 0.98 0.00 1.20 6.09 -1.67 -3.12 117.51 121.57 1jqi h ILE 763 Ca 0.42 -1.39 0.00 0.00 -1.37 0.00 0.00 64.86 62.51 1jqi h ILE 763 Cb 0.76 1.82 0.00 0.00 0.47 0.00 0.00 36.82 39.87 1jqi h ILE 763 CO -0.17 0.36 0.00 0.71 -3.07 0.00 0.00 178.15 175.98 1jqi h THR 764 N 0.00 0.00 -0.01 2.19 1.35 -1.49 0.20 112.91 115.15 1jqi h THR 764 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1jqi h THR 764 Cb 0.79 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1jqi h THR 764 CO 0.05 0.00 -0.18 -0.62 -0.25 0.00 0.00 175.52 174.52 1jqi n GLU 765 N -3.01 0.91 -0.02 4.72 1.02 -1.18 -4.51 120.64 118.56 1jqi n GLU 765 Ca -0.02 -0.48 -0.07 0.00 -0.02 0.00 0.00 57.16 56.58 1jqi n GLU 765 Cb 0.14 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 1jqi n GLU 765 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1jqi n ILE 766 N -0.63 0.91 -1.95 -3.67 5.41 0.00 -2.53 119.36 116.90 1jqi n ILE 766 Ca 0.14 0.09 -0.31 0.00 1.00 0.00 0.00 62.75 63.67 1jqi n ILE 766 Cb 0.33 -1.73 0.01 0.00 -0.71 0.00 0.00 39.64 37.53 1jqi n ILE 766 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1jqi s TYR 767 N -2.23 3.47 -1.34 1.39 -0.00 -0.87 -2.48 117.35 115.29 1jqi s TYR 767 Ca -0.11 1.36 0.00 0.00 -0.00 0.00 0.00 57.07 58.32 1jqi s TYR 767 Cb 0.03 -2.78 0.00 0.00 -0.00 0.00 0.00 41.96 39.21 1jqi s TYR 767 CO 0.15 -0.73 0.00 0.39 -0.00 0.00 0.00 175.55 175.36 1jqi n GLU 768 N -2.52 -1.24 0.00 -3.49 1.02 -1.26 -4.64 120.64 108.51 1jqi n GLU 768 Ca 0.07 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 1jqi n GLU 768 Cb 0.54 -5.12 0.00 0.00 -0.02 0.00 0.00 31.44 26.83 1jqi n GLU 768 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jqi n GLY 769 N -1.02 1.27 3.59 0.62 0.00 -1.24 -4.87 105.19 103.55 1jqi n GLY 769 Ca -0.18 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 1jqi n GLY 769 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jqi s THR 770 N 0.00 2.06 0.32 2.61 -4.23 -1.03 -4.67 115.64 110.70 1jqi s THR 770 Ca 0.00 0.02 0.04 0.00 -1.18 0.00 0.00 61.69 60.57 1jqi s THR 770 Cb 0.00 -2.06 0.29 0.00 1.34 0.00 0.00 72.50 72.08 1jqi s THR 770 CO 0.00 -0.03 1.90 0.28 -0.54 0.00 0.00 174.62 176.24 1jqi h SER 771 N -2.23 0.81 -0.72 3.99 0.02 -1.80 -0.76 113.55 112.86 1jqi h SER 771 Ca -0.52 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.39 1jqi h SER 771 Cb 1.30 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 1jqi h SER 771 CO 0.46 0.49 0.22 -0.33 -1.14 0.00 0.00 176.83 176.52 1jqi h GLU 772 N 0.90 1.12 -0.44 3.45 3.07 -1.90 -0.94 114.58 119.84 1jqi h GLU 772 Ca 0.40 -0.24 -0.06 0.00 -0.50 0.00 0.00 59.36 58.95 1jqi h GLU 772 Cb 0.36 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1jqi h GLU 772 CO -0.17 0.96 0.02 0.82 -1.40 0.00 0.00 179.01 179.25 1jqi h ILE 773 N 1.07 1.26 -0.46 3.13 5.03 -1.56 -1.89 117.51 124.09 1jqi h ILE 773 Ca 0.23 -0.99 0.04 0.00 -0.12 0.00 0.00 64.86 64.02 1jqi h ILE 773 Cb 0.31 1.03 -0.04 0.00 -3.03 0.00 0.00 36.82 35.09 1jqi h ILE 773 CO -0.01 0.34 0.23 1.56 -0.68 0.00 0.00 178.15 179.60 1jqi h GLN 774 N 0.61 0.44 -0.85 2.37 1.08 -0.87 -0.69 115.11 117.22 1jqi h GLN 774 Ca 0.13 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1jqi h GLN 774 Cb 0.46 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.74 1jqi h GLN 774 CO 0.02 0.29 0.56 0.00 -0.95 0.00 0.00 178.83 178.75 1jqi h ARG 775 N 0.46 1.10 -0.23 1.46 3.08 -0.97 -0.05 114.38 119.23 1jqi h ARG 775 Ca 0.20 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 1jqi h ARG 775 Cb 0.11 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1jqi h ARG 775 CO -0.14 0.73 0.08 -0.07 -1.07 0.00 0.00 179.97 179.50 1jqi h LEU 776 N 1.14 0.34 -0.95 3.04 3.38 -0.47 -0.85 115.31 120.94 1jqi h LEU 776 Ca 0.31 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jqi h LEU 776 Cb -0.12 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1jqi h LEU 776 CO -0.07 0.44 0.58 0.58 0.09 0.00 0.00 178.44 180.06 1jqi h VAL 777 N 0.21 1.26 -0.24 1.22 2.07 -0.72 -0.27 116.25 119.77 1jqi h VAL 777 Ca 0.08 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1jqi h VAL 777 Cb 0.22 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1jqi h VAL 777 CO -0.00 0.27 0.02 0.40 0.02 0.00 0.00 177.57 178.27 1jqi h ILE 778 N 1.31 1.24 -0.71 4.57 2.04 -0.82 -2.49 117.51 122.65 1jqi h ILE 778 Ca 0.34 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 1jqi h ILE 778 Cb -0.07 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1jqi h ILE 778 CO -0.07 0.26 0.28 0.00 0.00 0.00 0.00 178.15 178.63 1jqi h ALA 779 N 0.83 1.16 -0.40 1.87 0.00 -0.86 -0.57 119.26 121.29 1jqi h ALA 779 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1jqi h ALA 779 Cb 0.37 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1jqi h ALA 779 CO 0.01 0.60 0.16 0.78 0.00 0.00 0.00 179.25 180.80 1jqi h GLY 780 N 1.09 0.65 1.72 0.00 0.00 -0.93 -1.73 103.07 103.86 1jqi h GLY 780 Ca 0.24 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 47.04 1jqi h GLY 780 CO -0.02 0.34 -0.75 0.45 0.00 0.00 0.00 176.54 176.56 1jqi h HIS 781 N 0.51 0.37 0.32 5.60 -0.00 -1.26 -2.58 115.15 118.11 1jqi h HIS 781 Ca 0.13 -0.17 -0.02 0.00 -0.00 0.00 0.00 60.37 60.32 1jqi h HIS 781 Cb 0.19 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 1jqi h HIS 781 CO 0.00 0.92 -0.15 1.25 -0.00 0.00 0.00 177.93 179.95 1jqi h LEU 782 N 0.18 -0.36 -1.14 2.43 6.46 -0.99 -2.23 115.31 119.65 1jqi h LEU 782 Ca -0.03 -0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.78 1jqi h LEU 782 Cb 1.32 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 41.28 1jqi h LEU 782 CO 0.12 -0.23 0.59 -0.07 -0.62 0.00 0.00 178.44 178.23 1jqi h LEU 783 N -0.46 0.92 -1.99 2.25 3.38 -1.34 -0.96 115.31 117.11 1jqi h LEU 783 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1jqi h LEU 783 Cb 0.35 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1jqi h LEU 783 CO 0.07 0.60 -0.10 -0.09 0.09 0.00 0.00 178.44 179.02 1jqi h ARG 784 N 1.05 0.00 0.00 1.13 2.43 -1.11 -1.87 114.38 116.01 1jqi h ARG 784 Ca 0.38 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.44 1jqi h ARG 784 Cb 0.16 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1jqi h ARG 784 CO -0.14 0.10 -0.51 0.77 -1.51 0.00 0.00 179.97 178.68 1jqi h SER 785 N 0.00 0.00 0.98 -3.80 0.02 -0.58 -3.23 113.55 106.95 1jqi h SER 785 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1jqi h SER 785 Cb 0.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1jqi h SER 785 CO 0.01 0.51 -1.03 1.88 -1.14 0.00 0.00 176.83 177.06 1jqi h TYR 786 N 0.00 0.00 -0.03 3.45 0.05 -1.27 -3.52 116.97 115.65 1jqi h TYR 786 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1jqi h TYR 786 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 1jqi h TYR 786 CO 0.00 0.09 0.00 0.54 -1.05 0.00 0.00 178.16 177.74