#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ijm n TYR 415 N 0.00 0.35 -1.68 -0.67 4.01 -1.26 -5.00 117.16 112.91 2ijm n TYR 415 Ca 0.00 -0.52 -0.46 0.00 -0.16 0.00 0.00 57.90 56.76 2ijm n TYR 415 Cb 0.00 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 38.94 2ijm n TYR 415 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2ijm n GLU 416 N 0.18 2.34 -4.43 -0.72 4.07 -1.26 -1.27 120.64 119.55 2ijm n GLU 416 Ca 0.09 0.85 -0.31 0.00 -0.06 0.00 0.00 57.16 57.73 2ijm n GLU 416 Cb 0.40 -2.69 -0.11 0.00 -0.06 0.00 0.00 31.44 28.98 2ijm n GLU 416 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2ijm s ILE 417 N 2.75 3.27 0.06 6.31 1.01 -0.10 -4.88 121.20 129.62 2ijm s ILE 417 Ca 0.86 -1.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 2ijm s ILE 417 Cb -0.63 -2.45 -0.06 0.00 0.01 0.00 0.00 42.46 39.33 2ijm s ILE 417 CO 0.43 0.27 0.75 0.00 0.00 0.00 0.00 174.94 176.39 2ijm s GLN 418 N -1.72 4.49 0.54 2.79 -2.07 -1.26 -4.57 119.66 117.85 2ijm s GLN 418 Ca 0.18 1.05 0.36 0.00 -1.82 0.00 0.00 55.36 55.12 2ijm s GLN 418 Cb -0.11 -3.35 1.95 0.00 -1.09 0.00 0.00 33.01 30.41 2ijm s GLN 418 CO 0.09 0.33 2.10 -0.09 -1.32 0.00 0.00 175.29 176.40 2ijm h ARG 419 N 5.47 0.00 0.00 9.60 2.43 -1.97 -2.44 114.38 127.47 2ijm h ARG 419 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2ijm h ARG 419 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2ijm h ARG 419 CO 0.70 0.00 -0.01 0.93 -1.51 0.00 0.00 179.97 180.08 2ijm h GLU 420 N 0.00 0.00 0.00 0.20 3.07 -2.00 -2.78 114.58 113.07 2ijm h GLU 420 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2ijm h GLU 420 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 2ijm h GLU 420 CO 0.00 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.15 2ijm n ARG 421 N -2.81 0.40 -3.84 2.33 1.74 -0.92 -4.75 116.66 108.82 2ijm n ARG 421 Ca 0.04 0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.77 2ijm n ARG 421 Cb 0.50 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.30 2ijm n ARG 421 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ijm s ILE 422 N -2.59 3.61 -0.47 0.55 -1.09 -1.05 -0.84 121.20 119.33 2ijm s ILE 422 Ca 0.27 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 57.83 2ijm s ILE 422 Cb 0.20 -2.80 0.06 0.00 -1.58 0.00 0.00 42.46 38.33 2ijm s ILE 422 CO 0.45 0.19 0.42 -0.70 -1.23 0.00 0.00 174.94 174.07 2ijm s GLU 423 N 1.46 3.01 -0.09 2.79 2.12 0.98 -4.97 118.70 124.00 2ijm s GLU 423 Ca 0.03 -1.21 -0.30 0.00 0.36 0.00 0.00 54.97 53.86 2ijm s GLU 423 Cb -0.16 -4.10 -0.03 0.00 0.26 0.00 0.00 34.13 30.10 2ijm s GLU 423 CO -0.00 -1.01 1.26 -1.17 -0.54 0.00 0.00 175.26 173.80 2ijm s LEU 424 N 1.82 4.25 0.00 2.70 2.96 -1.26 -0.92 118.68 128.23 2ijm s LEU 424 Ca 0.06 1.82 0.00 0.00 -0.22 0.00 0.00 54.13 55.79 2ijm s LEU 424 Cb -0.22 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.92 2ijm s LEU 424 CO 0.08 -0.67 0.00 0.61 -1.32 0.00 0.00 176.35 175.05 2ijm n GLY 425 N 3.50 1.86 3.74 7.98 0.00 0.62 -4.96 105.19 117.94 2ijm n GLY 425 Ca 0.12 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 2ijm n GLY 425 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ijm s ARG 426 N 3.27 1.93 0.12 1.61 1.70 -1.24 -4.63 118.95 121.70 2ijm s ARG 426 Ca 0.00 1.21 -0.30 0.00 -0.47 0.00 0.00 55.73 56.17 2ijm s ARG 426 Cb 0.00 -1.86 -0.06 0.00 -0.57 0.00 0.00 34.95 32.46 2ijm s ARG 426 CO 0.00 -1.89 1.12 0.00 -1.08 0.00 0.00 175.30 173.45 2ijm n ILE 428 N 3.08 0.17 0.00 0.00 -5.35 0.07 -4.87 119.36 112.46 2ijm n ILE 428 Ca 0.05 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 2ijm n ILE 428 Cb 0.47 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 2ijm n ILE 428 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ijm n GLY 429 N -0.08 -0.07 2.96 3.28 0.00 -1.02 -4.98 105.19 105.28 2ijm n GLY 429 Ca 0.00 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 2ijm n GLY 429 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ijm s GLU 430 N -2.00 1.66 0.66 1.61 2.02 -1.26 -0.41 118.70 120.97 2ijm s GLU 430 Ca 0.00 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 54.68 2ijm s GLU 430 Cb 0.00 -1.56 0.12 0.00 0.10 0.00 0.00 34.13 32.80 2ijm s GLU 430 CO 0.00 -0.15 0.90 0.41 0.02 0.00 0.00 175.26 176.45 2ijm n GLY 431 N 4.48 1.08 0.20 -1.39 0.00 0.92 -4.90 105.19 105.59 2ijm n GLY 431 Ca -0.17 -2.09 0.03 0.00 0.00 0.00 0.00 46.02 43.79 2ijm n GLY 431 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ijm h GLN 432 N 0.00 0.06 0.00 1.61 4.15 -2.00 -3.25 115.11 115.68 2ijm h GLN 432 Ca -0.30 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.10 2ijm h GLN 432 Cb 1.19 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.87 2ijm h GLN 432 CO 0.35 0.35 -1.29 1.19 -1.93 0.00 0.00 178.83 177.50 2ijm n PHE 433 N -4.17 0.26 0.00 3.99 3.72 -1.26 -5.06 117.46 114.93 2ijm n PHE 433 Ca -0.02 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2ijm n PHE 433 Cb 0.35 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 2ijm n PHE 433 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ijm n GLY 434 N 1.33 0.00 3.77 1.37 0.00 -1.23 -1.55 105.19 108.89 2ijm n GLY 434 Ca 0.00 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 2ijm n GLY 434 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ijm s ASP 435 N 0.00 5.94 -0.16 1.61 -0.00 -1.26 -0.05 116.67 122.74 2ijm s ASP 435 Ca 0.00 2.22 -0.06 0.00 -0.00 0.00 0.00 52.55 54.71 2ijm s ASP 435 Cb 0.00 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.29 2ijm s ASP 435 CO 0.00 -1.07 0.04 -0.69 -0.00 0.00 0.00 175.17 173.45 2ijm s VAL 436 N -1.68 4.64 0.09 -1.27 1.01 0.45 -1.59 120.40 122.05 2ijm s VAL 436 Ca 0.69 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.65 2ijm s VAL 436 Cb -0.26 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2ijm s VAL 436 CO 0.30 0.49 -0.15 -1.00 0.00 0.00 0.00 175.10 174.74 2ijm s HIS 437 N 0.14 2.61 0.55 5.22 3.76 0.25 -0.75 115.29 127.06 2ijm s HIS 437 Ca 0.04 -0.22 -0.09 0.00 -0.15 0.00 0.00 55.06 54.64 2ijm s HIS 437 Cb -0.12 -1.40 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 2ijm s HIS 437 CO 0.01 0.37 0.92 1.14 -0.85 0.00 0.00 174.74 176.33 2ijm s GLN 438 N -1.99 3.59 0.00 1.40 -2.07 -0.33 0.93 119.66 121.19 2ijm s GLN 438 Ca 0.18 0.53 0.00 0.00 -1.82 0.00 0.00 55.36 54.25 2ijm s GLN 438 Cb -0.11 -2.21 0.00 0.00 -1.09 0.00 0.00 33.01 29.60 2ijm s GLN 438 CO 0.10 -0.40 0.00 0.41 -1.32 0.00 0.00 175.29 174.08 2ijm n GLY 439 N -2.47 1.43 3.05 2.60 0.00 0.44 -0.27 105.19 109.96 2ijm n GLY 439 Ca 0.04 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 2ijm n GLY 439 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ijm s ILE 440 N -2.43 -0.02 -0.19 -0.61 1.10 -0.10 -1.05 121.20 117.90 2ijm s ILE 440 Ca 0.00 0.06 0.00 0.00 -0.51 0.00 0.00 60.65 60.21 2ijm s ILE 440 Cb 0.00 -0.30 0.02 0.00 0.15 0.00 0.00 42.46 42.33 2ijm s ILE 440 CO 0.00 0.03 -0.16 -0.47 -2.11 0.00 0.00 174.94 172.22 2ijm s TYR 441 N 0.55 2.85 -0.28 3.50 5.04 0.57 -0.01 117.35 129.57 2ijm s TYR 441 Ca -0.04 -1.58 -0.09 0.00 -2.44 0.00 0.00 57.07 52.93 2ijm s TYR 441 Cb -0.05 -1.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.28 2ijm s TYR 441 CO -0.03 -0.77 0.12 0.00 -1.34 0.00 0.00 175.55 173.53 2ijm s MET 442 N 1.31 3.53 0.30 4.97 0.00 -0.02 -0.51 119.30 128.88 2ijm s MET 442 Ca 0.04 -0.58 0.06 0.00 0.00 0.00 0.00 55.69 55.22 2ijm s MET 442 Cb -0.14 -3.46 -0.02 0.00 0.00 0.00 0.00 34.83 31.21 2ijm s MET 442 CO -0.11 -0.29 0.41 -1.54 0.00 0.00 0.00 175.02 173.49 2ijm s SER 443 N 1.62 6.04 0.17 -1.18 1.04 -1.26 -4.67 113.70 115.46 2ijm s SER 443 Ca 0.06 -0.11 -0.19 0.00 0.48 0.00 0.00 55.95 56.18 2ijm s SER 443 Cb -0.16 -1.46 0.11 0.00 0.10 0.00 0.00 66.02 64.61 2ijm s SER 443 CO 0.05 -0.27 1.63 -0.65 0.98 0.00 0.00 173.24 174.98 2ijm h PRO 444 N 1.04 -0.13 -6.83 4.02 0.11 -2.01 -3.42 132.00 124.79 2ijm h PRO 444 Ca -0.48 0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.18 2ijm h PRO 444 Cb 1.25 0.03 0.05 0.00 0.11 0.00 0.00 31.00 32.44 2ijm h PRO 444 CO 0.56 -0.09 -0.03 -2.00 -0.21 0.00 0.00 178.00 176.24 2ijm s GLU 445 N -6.13 2.26 0.33 1.05 2.12 -1.26 -5.03 118.70 112.04 2ijm s GLU 445 Ca -0.14 -1.12 0.00 0.00 0.36 0.00 0.00 54.97 54.06 2ijm s GLU 445 Cb 0.15 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 32.03 2ijm s GLU 445 CO 0.70 -0.92 0.00 0.09 -0.54 0.00 0.00 175.26 174.59 2ijm n ASN 446 N -2.41 -5.65 -4.71 -1.70 3.02 -1.26 -4.90 115.26 97.65 2ijm n ASN 446 Ca 0.12 0.83 -0.40 0.00 -0.03 0.00 0.00 54.58 55.09 2ijm n ASN 446 Cb 0.60 -2.62 0.02 0.00 -0.61 0.00 0.00 39.78 37.17 2ijm n ASN 446 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2ijm n PRO 447 N -1.11 1.91 -1.52 3.52 -0.02 -1.26 -4.45 135.00 132.06 2ijm n PRO 447 Ca 0.00 0.68 -0.44 0.00 -2.02 0.00 0.00 63.50 61.73 2ijm n PRO 447 Cb 0.04 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.09 2ijm n PRO 447 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ijm n ALA 448 N -0.34 -0.94 -3.43 3.55 0.00 -1.26 -4.84 120.51 113.25 2ijm n ALA 448 Ca 0.07 0.30 -0.28 0.00 0.00 0.00 0.00 53.44 53.53 2ijm n ALA 448 Cb 0.41 -1.89 -0.17 0.00 0.00 0.00 0.00 19.45 17.80 2ijm n ALA 448 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ijm s LEU 449 N 1.07 1.80 0.14 0.00 2.96 0.34 -4.93 118.68 120.05 2ijm s LEU 449 Ca 0.62 -0.41 -0.31 0.00 -0.22 0.00 0.00 54.13 53.81 2ijm s LEU 449 Cb -0.68 -1.07 -0.08 0.00 0.50 0.00 0.00 46.19 44.86 2ijm s LEU 449 CO 0.58 0.07 1.40 0.00 -1.32 0.00 0.00 176.35 177.09 2ijm s ALA 450 N 0.64 3.61 0.08 5.97 0.00 -1.26 -0.32 121.76 130.47 2ijm s ALA 450 Ca -0.14 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 2ijm s ALA 450 Cb -0.16 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 2ijm s ALA 450 CO 0.04 -0.63 0.01 0.14 0.00 0.00 0.00 175.76 175.32 2ijm s VAL 451 N 0.94 0.18 -0.09 0.00 -7.23 -0.21 -3.93 120.40 110.07 2ijm s VAL 451 Ca 0.64 -1.80 -0.05 0.00 -1.81 0.00 0.00 61.98 58.96 2ijm s VAL 451 Cb -0.38 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 2ijm s VAL 451 CO 0.32 -0.83 0.12 0.00 -0.31 0.00 0.00 175.10 174.41 2ijm s ALA 452 N -3.95 3.79 -0.18 1.32 0.00 0.58 -0.42 121.76 122.88 2ijm s ALA 452 Ca 0.12 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2ijm s ALA 452 Cb 0.08 -1.85 0.04 0.00 0.00 0.00 0.00 23.12 21.38 2ijm s ALA 452 CO -0.07 0.64 -0.11 0.42 0.00 0.00 0.00 175.76 176.65 2ijm s ILE 453 N -1.08 1.57 -0.23 0.00 1.01 0.27 -0.86 121.20 121.88 2ijm s ILE 453 Ca 0.18 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 2ijm s ILE 453 Cb -0.12 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2ijm s ILE 453 CO 0.07 0.23 0.31 -0.54 0.00 0.00 0.00 174.94 175.00 2ijm s LYS 454 N 1.44 4.10 0.39 2.79 1.02 0.22 0.85 119.74 130.55 2ijm s LYS 454 Ca 0.00 -0.00 0.08 0.00 0.02 0.00 0.00 55.97 56.06 2ijm s LYS 454 Cb -0.15 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.59 2ijm s LYS 454 CO -0.09 -0.05 0.45 0.95 -0.92 0.00 0.00 175.35 175.70 2ijm s THR 455 N 1.37 3.16 -0.19 2.17 -4.23 -0.62 -1.18 115.64 116.12 2ijm s THR 455 Ca 0.14 -1.16 -0.05 0.00 -1.18 0.00 0.00 61.69 59.44 2ijm s THR 455 Cb -0.15 -3.10 0.07 0.00 1.34 0.00 0.00 72.50 70.66 2ijm s THR 455 CO 0.07 -0.05 0.09 0.00 -0.54 0.00 0.00 174.62 174.19 2ijm h LYS 457 N 8.41 0.00 -0.34 0.00 2.10 -1.65 -3.25 116.57 121.83 2ijm h LYS 457 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2ijm h LYS 457 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2ijm h LYS 457 CO 0.31 0.31 0.00 0.09 -2.00 0.00 0.00 179.45 178.17 2ijm n ASN 458 N -3.21 2.89 -0.18 7.07 3.02 -1.26 -4.63 115.26 118.96 2ijm n ASN 458 Ca 0.02 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 2ijm n ASN 458 Cb 0.63 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2ijm n ASN 458 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ijm h THR 460 N 0.00 0.18 -3.31 0.00 1.35 -1.88 -3.43 112.91 105.82 2ijm h THR 460 Ca 0.00 -1.12 -0.55 0.00 -0.55 0.00 0.00 66.41 64.19 2ijm h THR 460 Cb 0.12 1.97 -0.03 0.00 -1.73 0.00 0.00 68.15 68.48 2ijm h THR 460 CO 0.00 0.09 0.50 -0.55 -0.25 0.00 0.00 175.52 175.31 2ijm s SER 461 N -6.16 7.28 0.16 5.36 0.15 0.10 -4.97 113.70 115.61 2ijm s SER 461 Ca 0.05 1.60 -0.12 0.00 0.70 0.00 0.00 55.95 58.18 2ijm s SER 461 Cb 0.06 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.86 2ijm s SER 461 CO 0.66 -0.38 1.67 0.44 1.20 0.00 0.00 173.24 176.83 2ijm h ASP 462 N 6.99 0.83 0.03 5.45 3.32 -1.87 0.11 116.42 131.28 2ijm h ASP 462 Ca -0.35 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.49 2ijm h ASP 462 Cb 1.18 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 2ijm h ASP 462 CO 0.82 0.85 -0.16 -1.28 -1.72 0.00 0.00 179.24 177.74 2ijm h SER 463 N 0.78 -0.46 -0.51 6.45 0.87 -1.96 -1.42 113.55 117.30 2ijm h SER 463 Ca 0.17 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2ijm h SER 463 Cb 0.34 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 2ijm h SER 463 CO 0.00 -0.23 0.33 0.58 -0.53 0.00 0.00 176.83 176.98 2ijm h VAL 464 N -0.28 1.14 0.06 2.23 2.07 -1.84 -2.54 116.25 117.09 2ijm h VAL 464 Ca 0.04 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.29 2ijm h VAL 464 Cb 0.33 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2ijm h VAL 464 CO -0.13 0.14 -0.11 -0.09 0.02 0.00 0.00 177.57 177.39 2ijm h ARG 465 N 0.69 -0.22 -0.93 1.57 2.43 -0.86 0.81 114.38 117.86 2ijm h ARG 465 Ca 0.19 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.51 2ijm h ARG 465 Cb -0.05 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.47 2ijm h ARG 465 CO -0.04 -0.14 0.59 1.49 -1.51 0.00 0.00 179.97 180.36 2ijm h GLU 466 N -0.22 0.78 0.07 0.20 4.81 -1.17 0.31 114.58 119.35 2ijm h GLU 466 Ca 0.02 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2ijm h GLU 466 Cb 0.24 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2ijm h GLU 466 CO -0.07 0.51 -0.03 0.87 -0.73 0.00 0.00 179.01 179.56 2ijm h LYS 467 N 0.80 -0.09 -0.39 1.92 1.57 -0.96 -2.32 116.57 117.09 2ijm h LYS 467 Ca 0.47 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.34 2ijm h LYS 467 Cb 0.64 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.89 2ijm h LYS 467 CO -0.23 0.41 -0.17 0.35 -0.57 0.00 0.00 179.45 179.24 2ijm h PHE 468 N -0.63 -0.42 0.00 -1.35 3.57 -0.61 -2.57 116.94 114.94 2ijm h PHE 468 Ca -0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2ijm h PHE 468 Cb 0.53 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2ijm h PHE 468 CO 0.10 -0.25 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.82 2ijm h LEU 469 N -0.09 0.00 -1.79 0.59 4.07 -0.98 -3.03 115.31 114.07 2ijm h LEU 469 Ca 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 2ijm h LEU 469 Cb 0.39 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 2ijm h LEU 469 CO -0.46 0.04 -0.10 -0.61 -1.08 0.00 0.00 178.44 176.24 2ijm h GLN 470 N 0.00 0.01 -0.66 1.13 5.75 -0.98 -0.32 115.11 120.05 2ijm h GLN 470 Ca -0.00 -0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.59 2ijm h GLN 470 Cb 0.59 -0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.07 2ijm h GLN 470 CO 0.01 0.11 0.29 1.49 -2.65 0.00 0.00 178.83 178.08 2ijm h GLU 471 N 0.01 0.49 -0.10 1.69 4.81 -1.63 -0.07 114.58 119.78 2ijm h GLU 471 Ca 0.00 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 2ijm h GLU 471 Cb 0.18 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.46 2ijm h GLU 471 CO 0.01 0.32 -0.74 0.00 -0.73 0.00 0.00 179.01 177.88 2ijm h ALA 472 N 1.42 0.23 -0.73 2.92 0.00 -1.30 0.93 119.26 122.73 2ijm h ALA 472 Ca 0.33 -0.59 0.14 0.00 0.00 0.00 0.00 54.91 54.79 2ijm h ALA 472 Cb 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 2ijm h ALA 472 CO -0.29 0.58 0.26 -0.07 0.00 0.00 0.00 179.25 179.73 2ijm h LEU 473 N 0.36 0.19 -0.05 0.00 4.07 -1.10 -0.90 115.31 117.88 2ijm h LEU 473 Ca -0.06 0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 2ijm h LEU 473 Cb 1.38 0.12 -0.00 0.00 1.08 0.00 0.00 40.66 43.24 2ijm h LEU 473 CO 0.15 0.06 -0.05 0.74 -1.08 0.00 0.00 178.44 178.26 2ijm h THR 474 N 0.38 1.39 -0.25 0.22 2.02 -0.74 -3.26 112.91 112.66 2ijm h THR 474 Ca 0.40 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 2ijm h THR 474 Cb 0.62 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 2ijm h THR 474 CO -0.42 0.34 0.08 0.24 0.37 0.00 0.00 175.52 176.13 2ijm h MET 475 N -0.35 0.35 -0.89 6.66 2.86 -0.64 -2.33 114.93 120.60 2ijm h MET 475 Ca 0.01 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.74 2ijm h MET 475 Cb 0.57 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.09 2ijm h MET 475 CO 0.01 0.31 0.57 -0.09 1.06 0.00 0.00 176.91 178.78 2ijm h ARG 476 N 0.36 0.71 0.00 1.72 1.12 -1.21 -2.00 114.38 115.08 2ijm h ARG 476 Ca 0.09 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 2ijm h ARG 476 Cb 0.11 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 29.91 2ijm h ARG 476 CO -0.01 0.47 0.00 1.96 -3.11 0.00 0.00 179.97 179.28 2ijm h GLN 477 N 0.73 0.00 -6.61 0.20 4.20 -1.50 -3.45 115.11 108.68 2ijm h GLN 477 Ca 0.44 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.48 2ijm h GLN 477 Cb 0.66 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.26 2ijm h GLN 477 CO -0.20 0.00 -0.77 -0.06 -0.67 0.00 0.00 178.83 177.13 2ijm s PHE 478 N -3.51 2.65 -0.28 2.96 2.99 -0.75 -5.09 117.98 116.94 2ijm s PHE 478 Ca 0.01 -0.20 0.01 0.00 0.00 0.00 0.00 56.93 56.75 2ijm s PHE 478 Cb 0.09 -1.41 0.15 0.00 0.00 0.00 0.00 43.02 41.85 2ijm s PHE 478 CO 0.39 0.39 0.39 0.34 -0.00 0.00 0.00 175.22 176.73 2ijm s ASP 479 N -2.08 0.49 -0.17 1.36 3.68 -1.26 -4.87 116.67 113.82 2ijm s ASP 479 Ca 0.19 -0.31 -0.20 0.00 2.13 0.00 0.00 52.55 54.36 2ijm s ASP 479 Cb -0.11 1.05 0.05 0.00 -1.45 0.00 0.00 42.92 42.46 2ijm s ASP 479 CO 0.11 -0.35 0.54 -2.28 0.13 0.00 0.00 175.17 173.32 2ijm s HIS 480 N 2.53 -0.57 0.66 -5.34 2.46 -1.26 -5.06 115.29 108.71 2ijm s HIS 480 Ca 0.10 1.31 0.41 0.00 0.47 0.00 0.00 55.06 57.35 2ijm s HIS 480 Cb -0.13 0.22 2.26 0.00 -0.13 0.00 0.00 32.58 34.80 2ijm s HIS 480 CO -0.28 -0.34 2.31 -1.35 -2.47 0.00 0.00 174.74 172.61 2ijm h PRO 481 N 4.87 0.00 -0.13 2.88 0.11 -1.99 -2.04 132.00 135.70 2ijm h PRO 481 Ca -0.28 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 2ijm h PRO 481 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 2ijm h PRO 481 CO 0.21 0.00 -0.29 0.72 -0.21 0.00 0.00 178.00 178.43 2ijm n HIS 482 N -3.18 0.40 -4.11 0.65 8.25 -1.26 -4.89 115.22 111.08 2ijm n HIS 482 Ca -0.03 -1.45 -0.27 0.00 -0.26 0.00 0.00 57.72 55.71 2ijm n HIS 482 Cb 0.11 -0.32 -0.17 0.00 1.12 0.00 0.00 29.99 30.74 2ijm n HIS 482 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2ijm s ILE 483 N -3.19 1.13 0.17 1.59 1.01 -0.77 -0.56 121.20 120.58 2ijm s ILE 483 Ca 0.40 -0.39 -0.33 0.00 0.00 0.00 0.00 60.65 60.33 2ijm s ILE 483 Cb 0.37 -1.10 -0.15 0.00 0.01 0.00 0.00 42.46 41.59 2ijm s ILE 483 CO -0.03 0.38 1.31 0.55 0.00 0.00 0.00 174.94 177.14 2ijm n VAL 484 N 4.61 0.61 -3.66 2.92 3.14 -0.81 -4.53 118.33 120.62 2ijm n VAL 484 Ca -0.16 -0.15 -0.37 0.00 -2.96 0.00 0.00 64.34 60.70 2ijm n VAL 484 Cb 0.50 -1.07 -0.06 0.00 -1.06 0.00 0.00 33.84 32.15 2ijm n VAL 484 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2ijm s LYS 485 N -0.05 3.81 -0.08 1.45 2.20 -1.26 -4.97 119.74 120.85 2ijm s LYS 485 Ca 0.75 0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 56.19 2ijm s LYS 485 Cb -0.80 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.23 2ijm s LYS 485 CO 0.49 0.62 1.16 -1.17 -0.36 0.00 0.00 175.35 176.09 2ijm s LEU 486 N -0.71 4.26 -0.20 5.43 2.96 -1.26 -1.21 118.68 127.95 2ijm s LEU 486 Ca 0.19 1.74 -0.21 0.00 -0.22 0.00 0.00 54.13 55.63 2ijm s LEU 486 Cb -0.14 -3.56 -0.20 0.00 0.50 0.00 0.00 46.19 42.79 2ijm s LEU 486 CO 0.08 -0.57 0.26 0.40 -1.32 0.00 0.00 176.35 175.20 2ijm h ILE 487 N 5.06 0.93 -1.19 6.68 1.08 -1.03 -3.47 117.51 125.57 2ijm h ILE 487 Ca -0.33 -2.20 0.06 0.00 -0.39 0.00 0.00 64.86 62.00 2ijm h ILE 487 Cb 1.15 2.30 -0.01 0.00 -3.07 0.00 0.00 36.82 37.19 2ijm h ILE 487 CO 0.88 0.38 0.16 0.61 -0.69 0.00 0.00 178.15 179.49 2ijm n GLY 488 N 1.49 0.39 3.13 5.37 0.00 -0.44 -4.95 105.19 110.18 2ijm n GLY 488 Ca -0.31 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 2ijm n GLY 488 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ijm s VAL 489 N -2.03 0.79 -0.31 1.61 -7.23 -0.40 0.38 120.40 113.23 2ijm s VAL 489 Ca 0.05 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 2ijm s VAL 489 Cb -0.00 -1.09 0.07 0.00 0.56 0.00 0.00 36.38 35.92 2ijm s VAL 489 CO -0.00 -0.49 -0.01 -0.63 -0.31 0.00 0.00 175.10 173.66 2ijm s ILE 490 N -2.04 2.48 -2.24 -0.62 1.01 -0.21 -0.92 121.20 118.66 2ijm s ILE 490 Ca -0.00 -1.84 0.21 0.00 0.00 0.00 0.00 60.65 59.01 2ijm s ILE 490 Cb -0.05 -2.59 0.49 0.00 0.01 0.00 0.00 42.46 40.31 2ijm s ILE 490 CO -0.00 -0.28 1.61 0.35 0.00 0.00 0.00 174.94 176.61 2ijm n THR 491 N 4.43 0.15 -3.62 2.92 -2.24 -1.26 -2.00 114.28 112.65 2ijm n THR 491 Ca -0.07 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.14 2ijm n THR 491 Cb 0.42 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 2ijm n THR 491 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2ijm s GLU 492 N -1.85 3.59 0.22 -0.78 0.41 -1.26 -4.89 118.70 114.14 2ijm s GLU 492 Ca 0.32 -0.15 -0.30 0.00 -0.41 0.00 0.00 54.97 54.43 2ijm s GLU 492 Cb 0.17 -2.81 -0.08 0.00 -1.78 0.00 0.00 34.13 29.63 2ijm s GLU 492 CO 0.26 0.40 1.11 -0.80 -0.49 0.00 0.00 175.26 175.74 2ijm s ASN 493 N -2.80 7.25 0.20 -0.19 -0.87 -1.26 -3.04 114.94 114.23 2ijm s ASN 493 Ca 0.41 2.18 -0.30 0.00 -1.57 0.00 0.00 52.86 53.58 2ijm s ASN 493 Cb -0.11 -2.61 -0.09 0.00 -0.02 0.00 0.00 41.25 38.41 2ijm s ASN 493 CO 0.27 -0.20 1.32 -2.16 -2.57 0.00 0.00 177.10 173.76 2ijm s PRO 494 N -0.81 4.37 0.01 -0.60 0.04 -1.26 -5.11 135.00 131.64 2ijm s PRO 494 Ca 0.48 2.08 -0.30 0.00 0.04 0.00 0.00 61.00 63.29 2ijm s PRO 494 Cb -0.31 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.00 2ijm s PRO 494 CO 0.38 -0.28 1.21 0.08 0.04 0.00 0.00 177.00 178.43 2ijm s VAL 495 N 0.13 4.12 0.10 -0.36 1.01 -1.17 -4.90 120.40 119.33 2ijm s VAL 495 Ca 0.57 1.50 0.09 0.00 0.00 0.00 0.00 61.98 64.14 2ijm s VAL 495 Cb -0.37 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 2ijm s VAL 495 CO 0.38 0.06 -0.24 0.26 0.00 0.00 0.00 175.10 175.57 2ijm s TRP 496 N 1.58 2.04 -0.14 5.22 0.51 -0.85 -3.33 118.94 123.98 2ijm s TRP 496 Ca 0.58 -0.40 0.01 0.00 -2.12 0.00 0.00 56.10 54.17 2ijm s TRP 496 Cb -0.27 -1.14 -0.01 0.00 -0.81 0.00 0.00 33.47 31.24 2ijm s TRP 496 CO 0.26 0.22 -0.15 0.42 -0.51 0.00 0.00 176.95 177.19 2ijm s ILE 497 N -1.02 2.76 -0.21 2.03 1.01 -0.33 -1.04 121.20 124.40 2ijm s ILE 497 Ca 0.10 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 2ijm s ILE 497 Cb -0.10 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2ijm s ILE 497 CO 0.04 0.52 0.05 -0.63 0.00 0.00 0.00 174.94 174.92 2ijm s ILE 498 N 0.54 4.37 0.25 2.92 -1.09 0.16 -0.61 121.20 127.74 2ijm s ILE 498 Ca -0.10 -0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 2ijm s ILE 498 Cb -0.16 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 2ijm s ILE 498 CO 0.04 0.40 0.12 0.00 -1.23 0.00 0.00 174.94 174.28 2ijm s MET 499 N 1.02 1.39 0.51 2.79 0.23 -0.04 -0.40 119.30 124.80 2ijm s MET 499 Ca 0.03 -1.76 -0.23 0.00 -1.03 0.00 0.00 55.69 52.71 2ijm s MET 499 Cb -0.14 -0.04 -0.06 0.00 -1.53 0.00 0.00 34.83 33.06 2ijm s MET 499 CO 0.03 -0.37 1.34 -1.83 -2.03 0.00 0.00 175.02 172.16 2ijm s GLU 500 N -4.02 3.37 -0.17 3.16 -1.05 -0.35 -0.31 118.70 119.34 2ijm s GLU 500 Ca 0.38 2.19 -0.22 0.00 -0.15 0.00 0.00 54.97 57.17 2ijm s GLU 500 Cb 0.07 -2.38 -0.03 0.00 -0.44 0.00 0.00 34.13 31.36 2ijm s GLU 500 CO 0.14 -0.99 0.66 -1.17 0.95 0.00 0.00 175.26 174.85 2ijm s LEU 501 N -3.25 4.18 -0.62 1.83 0.20 -1.25 -4.15 118.68 115.62 2ijm s LEU 501 Ca 0.68 0.93 -0.16 0.00 0.69 0.00 0.00 54.13 56.27 2ijm s LEU 501 Cb -0.39 -2.96 0.15 0.00 -0.43 0.00 0.00 46.19 42.57 2ijm s LEU 501 CO 0.47 -0.26 0.57 0.00 -0.29 0.00 0.00 176.35 176.85 2ijm h THR 503 N 5.60 1.11 -0.08 0.00 1.35 -1.75 -1.69 112.91 117.45 2ijm h THR 503 Ca -0.19 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2ijm h THR 503 Cb 1.08 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2ijm h THR 503 CO 0.97 0.10 0.00 0.18 -0.25 0.00 0.00 175.52 176.52 2ijm n LEU 504 N -4.47 0.56 0.00 3.87 4.77 -0.40 -5.01 117.00 116.32 2ijm n LEU 504 Ca 0.03 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2ijm n LEU 504 Cb 0.06 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2ijm n LEU 504 CO 0.35 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2ijm n GLY 505 N 0.78 -0.21 3.77 -0.72 0.00 -0.64 -4.65 105.19 103.51 2ijm n GLY 505 Ca 0.09 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 2ijm n GLY 505 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ijm s GLU 506 N 0.00 3.84 0.18 1.61 2.02 -1.26 -0.24 118.70 124.85 2ijm s GLU 506 Ca 0.00 2.10 -0.11 0.00 0.02 0.00 0.00 54.97 56.98 2ijm s GLU 506 Cb 0.00 -2.64 0.09 0.00 0.10 0.00 0.00 34.13 31.68 2ijm s GLU 506 CO 0.00 -0.58 1.72 1.25 0.02 0.00 0.00 175.26 177.67 2ijm h LEU 507 N 2.43 0.91 0.09 1.80 5.85 -1.05 -2.05 115.31 123.30 2ijm h LEU 507 Ca -0.50 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.05 2ijm h LEU 507 Cb 1.25 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 2ijm h LEU 507 CO 0.62 0.87 -0.37 0.03 -0.34 0.00 0.00 178.44 179.25 2ijm h ARG 508 N 0.91 -0.56 -0.75 1.25 3.08 -1.84 0.12 114.38 116.59 2ijm h ARG 508 Ca 0.21 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 2ijm h ARG 508 Cb 0.27 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2ijm h ARG 508 CO -0.01 -0.37 0.34 0.77 -1.07 0.00 0.00 179.97 179.63 2ijm h SER 509 N -0.58 0.98 -0.30 7.04 0.02 -1.92 0.12 113.55 118.90 2ijm h SER 509 Ca 0.03 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 60.91 2ijm h SER 509 Cb 0.62 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 2ijm h SER 509 CO -0.23 0.85 0.03 0.15 -1.14 0.00 0.00 176.83 176.48 2ijm h PHE 510 N 1.07 0.04 -0.35 3.45 3.57 -0.91 -1.98 116.94 121.81 2ijm h PHE 510 Ca 0.26 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.64 2ijm h PHE 510 Cb 0.14 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2ijm h PHE 510 CO 0.01 -0.02 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.68 2ijm h LEU 511 N 0.12 0.82 -0.62 0.59 3.38 -0.04 -2.87 115.31 116.70 2ijm h LEU 511 Ca 0.14 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 2ijm h LEU 511 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2ijm h LEU 511 CO -0.22 1.07 -0.20 1.56 0.09 0.00 0.00 178.44 180.74 2ijm h GLN 512 N 0.66 0.88 0.00 1.13 4.20 -0.67 -1.58 115.11 119.73 2ijm h GLN 512 Ca 0.07 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.37 2ijm h GLN 512 Cb 0.87 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 2ijm h GLN 512 CO 0.08 1.00 -0.25 0.28 -0.67 0.00 0.00 178.83 179.27 2ijm h VAL 513 N 0.77 1.16 -0.02 -0.54 2.07 -1.37 -3.32 116.25 114.99 2ijm h VAL 513 Ca 0.11 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2ijm h VAL 513 Cb 0.74 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2ijm h VAL 513 CO 0.06 0.24 -0.37 0.54 0.02 0.00 0.00 177.57 178.06 2ijm n ARG 514 N -4.21 1.55 0.26 1.57 1.74 -0.95 -4.76 116.66 111.86 2ijm n ARG 514 Ca -0.02 -3.15 0.17 0.00 -0.77 0.00 0.00 57.85 54.08 2ijm n ARG 514 Cb 0.30 -1.61 0.79 0.00 -1.02 0.00 0.00 32.46 30.93 2ijm n ARG 514 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 2ijm h LYS 515 N 0.80 0.00 0.00 5.56 2.10 -1.41 0.18 116.57 123.80 2ijm h LYS 515 Ca 0.01 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.55 2ijm h LYS 515 Cb 1.04 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.35 2ijm h LYS 515 CO 0.02 0.00 -1.84 0.66 -2.00 0.00 0.00 179.45 176.29 2ijm n TYR 516 N -3.16 0.00 0.13 0.07 4.02 -1.26 -4.42 117.16 112.54 2ijm n TYR 516 Ca 0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.99 2ijm n TYR 516 Cb 0.46 -0.52 0.04 0.00 -0.02 0.00 0.00 39.34 39.30 2ijm n TYR 516 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2ijm h SER 517 N 0.00 0.00 -3.47 7.72 0.02 -1.56 -3.44 113.55 112.82 2ijm h SER 517 Ca -0.17 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.08 2ijm h SER 517 Cb 1.23 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.57 2ijm h SER 517 CO 0.01 0.13 -0.23 -0.76 -1.14 0.00 0.00 176.83 174.84 2ijm s LEU 518 N -5.78 5.01 0.96 5.07 1.43 0.51 -5.06 118.68 120.82 2ijm s LEU 518 Ca 0.02 -0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 52.16 2ijm s LEU 518 Cb 0.08 -2.34 0.17 0.00 0.03 0.00 0.00 46.19 44.14 2ijm s LEU 518 CO 0.75 -0.61 1.18 1.51 0.23 0.00 0.00 176.35 179.42 2ijm s ASP 519 N 1.99 3.07 0.14 2.29 3.84 -1.26 -4.89 116.67 121.84 2ijm s ASP 519 Ca 0.10 0.72 -0.14 0.00 -0.00 0.00 0.00 52.55 53.24 2ijm s ASP 519 Cb -0.18 -1.10 0.00 0.00 -1.38 0.00 0.00 42.92 40.26 2ijm s ASP 519 CO 0.12 -2.80 1.60 0.25 -0.00 0.00 0.00 175.17 174.34 2ijm h LEU 520 N -1.67 0.76 -1.60 2.11 6.46 -1.97 -2.72 115.31 116.68 2ijm h LEU 520 Ca -0.48 -0.29 0.01 0.00 -0.12 0.00 0.00 57.88 57.01 2ijm h LEU 520 Cb 1.30 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 41.01 2ijm h LEU 520 CO 0.52 0.86 0.28 0.00 -0.62 0.00 0.00 178.44 179.48 2ijm h ALA 521 N 0.93 1.73 -0.15 1.25 0.00 -1.94 -0.31 119.26 120.77 2ijm h ALA 521 Ca 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2ijm h ALA 521 Cb 0.45 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ijm h ALA 521 CO 0.02 0.25 -0.08 0.77 0.00 0.00 0.00 179.25 180.20 2ijm h SER 522 N 0.55 0.34 -0.80 0.00 0.02 -1.87 -1.46 113.55 110.32 2ijm h SER 522 Ca 0.16 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2ijm h SER 522 Cb -0.02 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 2ijm h SER 522 CO -0.04 0.68 0.48 -0.07 -1.14 0.00 0.00 176.83 176.75 2ijm h LEU 523 N -0.01 0.97 -0.68 5.07 3.38 -1.08 -1.89 115.31 121.06 2ijm h LEU 523 Ca 0.03 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 2ijm h LEU 523 Cb 0.56 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2ijm h LEU 523 CO 0.02 0.75 -0.25 0.40 0.09 0.00 0.00 178.44 179.45 2ijm h ILE 524 N 1.10 1.27 -0.25 1.22 2.04 -1.10 -2.60 117.51 119.19 2ijm h ILE 524 Ca 0.29 -1.37 0.04 0.00 1.00 0.00 0.00 64.86 64.82 2ijm h ILE 524 Cb -0.04 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 2ijm h ILE 524 CO -0.05 0.45 0.03 0.25 0.00 0.00 0.00 178.15 178.83 2ijm h LEU 525 N 0.65 -0.04 -0.71 1.44 5.85 -0.81 0.58 115.31 122.27 2ijm h LEU 525 Ca 0.09 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2ijm h LEU 525 Cb 0.76 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 2ijm h LEU 525 CO 0.06 0.01 0.41 1.88 -0.34 0.00 0.00 178.44 180.46 2ijm h TYR 526 N 0.11 0.95 -0.41 1.25 0.99 -1.21 0.13 116.97 118.79 2ijm h TYR 526 Ca 0.12 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.85 2ijm h TYR 526 Cb 0.14 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 37.53 2ijm h TYR 526 CO -0.18 0.66 0.26 0.00 -0.00 0.00 0.00 178.16 178.90 2ijm h ALA 527 N 1.21 0.51 -0.15 3.88 0.00 -1.20 -0.94 119.26 122.57 2ijm h ALA 527 Ca 0.25 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2ijm h ALA 527 Cb -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2ijm h ALA 527 CO -0.04 -0.06 -0.01 -0.92 0.00 0.00 0.00 179.25 178.22 2ijm h TYR 528 N 0.52 -0.03 -0.84 0.00 5.03 -0.48 -0.63 116.97 120.54 2ijm h TYR 528 Ca 0.15 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.45 2ijm h TYR 528 Cb -0.03 0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.24 2ijm h TYR 528 CO -0.06 -0.04 0.43 1.96 -1.32 0.00 0.00 178.16 179.14 2ijm h GLN 529 N 0.03 1.19 -0.80 1.82 4.20 -0.59 -1.06 115.11 119.89 2ijm h GLN 529 Ca 0.07 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 2ijm h GLN 529 Cb 0.09 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 2ijm h GLN 529 CO -0.13 0.89 0.36 1.25 -0.67 0.00 0.00 178.83 180.54 2ijm h LEU 530 N 1.18 1.07 -1.24 1.46 5.85 -0.99 -2.15 115.31 120.49 2ijm h LEU 530 Ca 0.29 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 2ijm h LEU 530 Cb 0.07 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2ijm h LEU 530 CO -0.04 0.92 -0.32 0.77 -0.34 0.00 0.00 178.44 179.42 2ijm h SER 531 N 1.15 0.10 -0.53 1.25 4.64 -0.37 -0.69 113.55 119.10 2ijm h SER 531 Ca 0.27 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.47 2ijm h SER 531 Cb 0.15 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 2ijm h SER 531 CO -0.03 0.42 -0.04 0.71 -0.87 0.00 0.00 176.83 177.02 2ijm h THR 532 N 0.09 1.27 -0.58 2.95 1.35 -0.88 0.84 112.91 117.94 2ijm h THR 532 Ca 0.01 -1.17 -0.00 0.00 -0.55 0.00 0.00 66.41 64.70 2ijm h THR 532 Cb 0.62 0.95 -0.03 0.00 -1.73 0.00 0.00 68.15 67.96 2ijm h THR 532 CO 0.05 0.41 0.35 0.00 -0.25 0.00 0.00 175.52 176.07 2ijm h ALA 533 N 0.94 0.75 -0.04 6.62 0.00 -0.87 -2.20 119.26 124.46 2ijm h ALA 533 Ca 0.15 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2ijm h ALA 533 Cb 0.59 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ijm h ALA 533 CO 0.04 0.23 -0.82 -0.07 0.00 0.00 0.00 179.25 178.63 2ijm h LEU 534 N 0.79 0.45 -0.74 0.00 3.38 -1.02 -0.85 115.31 117.32 2ijm h LEU 534 Ca 0.21 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2ijm h LEU 534 Cb -0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2ijm h LEU 534 CO -0.04 1.10 0.49 0.00 0.09 0.00 0.00 178.44 180.07 2ijm h ALA 535 N 0.88 0.93 -0.50 1.53 0.00 -0.83 0.30 119.26 121.58 2ijm h ALA 535 Ca -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2ijm h ALA 535 Cb 1.42 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2ijm h ALA 535 CO 0.14 0.35 0.24 -0.92 0.00 0.00 0.00 179.25 179.06 2ijm h TYR 536 N 1.00 0.72 -0.58 0.00 3.20 -1.18 -0.05 116.97 120.09 2ijm h TYR 536 Ca 0.27 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 2ijm h TYR 536 Cb -0.11 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 37.91 2ijm h TYR 536 CO -0.02 0.58 0.06 -0.07 -1.64 0.00 0.00 178.16 177.07 2ijm h LEU 537 N 0.66 0.94 -0.66 2.82 3.38 -0.95 -2.66 115.31 118.84 2ijm h LEU 537 Ca 0.17 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2ijm h LEU 537 Cb 0.13 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2ijm h LEU 537 CO -0.02 0.98 0.39 -0.08 0.09 0.00 0.00 178.44 179.80 2ijm h GLU 538 N 0.87 0.71 0.00 1.13 4.81 -0.76 -0.89 114.58 120.45 2ijm h GLU 538 Ca 0.17 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2ijm h GLU 538 Cb 0.46 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2ijm h GLU 538 CO 0.02 0.47 0.01 0.66 -0.73 0.00 0.00 179.01 179.43 2ijm h SER 539 N 0.73 0.00 -0.36 1.04 4.64 -0.65 0.17 113.55 119.11 2ijm h SER 539 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2ijm h SER 539 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2ijm h SER 539 CO -0.15 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.10 2ijm n LYS 540 N -2.84 2.38 -3.46 4.77 4.76 -0.44 -4.97 118.16 118.36 2ijm n LYS 540 Ca -0.03 -2.05 -0.25 0.00 -2.87 0.00 0.00 58.31 53.11 2ijm n LYS 540 Cb 0.07 -1.36 0.03 0.00 -1.84 0.00 0.00 35.03 31.93 2ijm n LYS 540 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2ijm n ARG 541 N 0.91 -5.11 -3.64 1.97 1.74 0.60 -4.96 116.66 108.17 2ijm n ARG 541 Ca 0.14 0.69 -0.37 0.00 -0.77 0.00 0.00 57.85 57.55 2ijm n ARG 541 Cb 0.47 -5.55 -0.09 0.00 -1.02 0.00 0.00 32.46 26.27 2ijm n ARG 541 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2ijm s PHE 542 N -3.17 3.33 -0.27 -1.55 5.36 -0.60 -5.02 117.98 116.06 2ijm s PHE 542 Ca 0.48 0.28 -0.10 0.00 -0.96 0.00 0.00 56.93 56.62 2ijm s PHE 542 Cb -0.23 -2.29 -0.05 0.00 -0.34 0.00 0.00 43.02 40.11 2ijm s PHE 542 CO 0.59 0.08 0.17 0.08 -1.46 0.00 0.00 175.22 174.68 2ijm s VAL 543 N 1.03 5.17 -0.11 3.12 1.01 -1.26 -4.25 120.40 125.11 2ijm s VAL 543 Ca 0.09 0.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 2ijm s VAL 543 Cb -0.13 -3.46 -0.20 0.00 0.00 0.00 0.00 36.38 32.59 2ijm s VAL 543 CO 0.04 0.27 0.72 -0.74 0.00 0.00 0.00 175.10 175.40 2ijm h HIS 544 N 8.29 -0.03 0.00 5.22 2.76 -1.91 -3.47 115.15 126.02 2ijm h HIS 544 Ca -0.36 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 2ijm h HIS 544 Cb 1.19 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.16 2ijm h HIS 544 CO 0.74 0.67 0.00 0.54 -1.30 0.00 0.00 177.93 178.58 2ijm n ARG 545 N -4.71 0.00 -2.77 5.26 1.74 -1.26 -3.96 116.66 110.96 2ijm n ARG 545 Ca -0.08 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.91 2ijm n ARG 545 Cb 0.35 -1.76 0.07 0.00 -1.02 0.00 0.00 32.46 30.10 2ijm n ARG 545 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2ijm n ASP 546 N 0.00 -0.84 -4.64 0.55 2.03 -1.26 -5.02 116.55 107.37 2ijm n ASP 546 Ca 0.00 -2.89 -0.42 0.00 0.52 0.00 0.00 54.79 52.00 2ijm n ASP 546 Cb 0.00 0.64 -0.04 0.00 -0.72 0.00 0.00 41.12 41.00 2ijm n ASP 546 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ijm s ILE 547 N -0.94 4.82 -0.02 5.18 1.01 -1.26 -4.82 121.20 125.18 2ijm s ILE 547 Ca 0.26 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 62.24 2ijm s ILE 547 Cb 0.38 -4.14 0.10 0.00 0.01 0.00 0.00 42.46 38.81 2ijm s ILE 547 CO -0.05 -0.08 0.84 0.00 0.00 0.00 0.00 174.94 175.65 2ijm s ALA 548 N 2.88 -1.81 0.45 9.38 0.00 -1.26 -4.58 121.76 126.82 2ijm s ALA 548 Ca 0.36 1.11 0.13 0.00 0.00 0.00 0.00 51.96 53.56 2ijm s ALA 548 Cb -0.15 0.18 1.06 0.00 0.00 0.00 0.00 23.12 24.20 2ijm s ALA 548 CO 0.07 -0.57 2.05 0.00 0.00 0.00 0.00 175.76 177.31 2ijm h ALA 549 N 2.26 1.95 0.00 0.00 0.00 -1.92 -0.86 119.26 120.69 2ijm h ALA 549 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ijm h ALA 549 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ijm h ALA 549 CO 0.33 -0.02 0.00 0.07 0.00 0.00 0.00 179.25 179.63 2ijm h ARG 550 N 0.33 0.00 -0.70 0.00 0.11 -1.96 -2.28 114.38 109.88 2ijm h ARG 550 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 2ijm h ARG 550 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2ijm h ARG 550 CO -0.04 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.12 2ijm n ASN 551 N -2.95 3.90 -4.61 0.08 3.02 -0.33 -4.80 115.26 109.58 2ijm n ASN 551 Ca -0.01 -2.00 -0.34 0.00 -0.03 0.00 0.00 54.58 52.20 2ijm n ASN 551 Cb 0.16 -0.47 -0.11 0.00 -0.61 0.00 0.00 39.78 38.75 2ijm n ASN 551 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ijm s VAL 552 N -1.03 3.96 0.15 2.41 1.01 -0.86 -0.46 120.40 125.58 2ijm s VAL 552 Ca 0.48 -0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.17 2ijm s VAL 552 Cb 0.25 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2ijm s VAL 552 CO 0.33 0.59 -0.15 -0.76 0.00 0.00 0.00 175.10 175.10 2ijm s LEU 553 N -0.67 2.77 -0.28 3.92 1.43 1.00 -0.79 118.68 126.06 2ijm s LEU 553 Ca 0.10 -0.61 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 2ijm s LEU 553 Cb -0.12 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.57 2ijm s LEU 553 CO 0.02 0.14 0.05 -0.69 0.23 0.00 0.00 176.35 176.10 2ijm s VAL 554 N -1.43 3.77 0.06 -1.59 1.01 0.67 -0.13 120.40 122.75 2ijm s VAL 554 Ca 0.21 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 2ijm s VAL 554 Cb -0.10 -2.93 -0.30 0.00 0.00 0.00 0.00 36.38 33.05 2ijm s VAL 554 CO 0.12 0.12 1.10 0.28 0.00 0.00 0.00 175.10 176.72 2ijm h SER 555 N 8.19 0.53 -5.00 3.32 0.02 -1.43 -1.06 113.55 118.12 2ijm h SER 555 Ca -0.32 -0.57 0.06 0.00 -0.84 0.00 0.00 61.79 60.11 2ijm h SER 555 Cb 1.13 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 2ijm h SER 555 CO 0.60 1.45 0.24 -0.94 -1.14 0.00 0.00 176.83 177.03 2ijm s SER 556 N -7.26 -0.22 0.63 3.07 1.04 -1.05 -4.34 113.70 105.57 2ijm s SER 556 Ca -0.05 -0.69 0.32 0.00 0.48 0.00 0.00 55.95 56.01 2ijm s SER 556 Cb 0.06 0.75 1.78 0.00 0.10 0.00 0.00 66.02 68.71 2ijm s SER 556 CO 0.90 -1.40 2.07 0.78 0.98 0.00 0.00 173.24 176.56 2ijm h ASN 557 N 2.00 0.00 0.00 7.02 4.21 -2.02 -2.13 115.58 124.66 2ijm h ASN 557 Ca -0.21 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.28 2ijm h ASN 557 Cb 1.25 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.42 2ijm h ASN 557 CO 0.26 0.00 -0.44 -0.90 -1.29 0.00 0.00 177.43 175.06 2ijm n ASP 558 N -3.33 1.74 -3.39 5.81 5.75 -1.26 -4.98 116.55 116.89 2ijm n ASP 558 Ca 0.00 -3.51 -0.07 0.00 -0.01 0.00 0.00 54.79 51.20 2ijm n ASP 558 Cb 0.33 -0.48 -0.07 0.00 -1.03 0.00 0.00 41.12 39.87 2ijm n ASP 558 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ijm s VAL 560 N 2.61 4.35 -0.04 0.00 -7.23 -1.26 -1.14 120.40 117.69 2ijm s VAL 560 Ca 0.11 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 2ijm s VAL 560 Cb -0.15 -3.14 0.01 0.00 0.56 0.00 0.00 36.38 33.65 2ijm s VAL 560 CO -0.16 0.02 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.01 2ijm s LYS 561 N -2.68 1.18 0.02 4.82 1.02 0.81 -4.61 119.74 120.30 2ijm s LYS 561 Ca 0.29 -0.34 -0.30 0.00 0.02 0.00 0.00 55.97 55.64 2ijm s LYS 561 Cb -0.11 -1.06 -0.06 0.00 -0.52 0.00 0.00 37.83 36.08 2ijm s LYS 561 CO 0.22 0.09 1.36 -1.17 -0.92 0.00 0.00 175.35 174.93 2ijm s LEU 562 N 0.33 4.33 0.00 3.17 0.20 0.27 -0.00 118.68 126.98 2ijm s LEU 562 Ca -0.06 2.11 0.00 0.00 0.69 0.00 0.00 54.13 56.87 2ijm s LEU 562 Cb -0.11 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.09 2ijm s LEU 562 CO 0.01 -0.67 0.00 0.61 -0.29 0.00 0.00 176.35 176.01 2ijm n GLY 563 N 3.55 4.32 2.35 7.98 0.00 0.39 -1.92 105.19 121.86 2ijm n GLY 563 Ca 0.12 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 44.01 2ijm n GLY 563 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ijm n ASP 564 N -0.77 -5.82 -4.42 1.61 2.03 -1.26 -4.84 116.55 103.08 2ijm n ASP 564 Ca 0.00 0.40 -0.30 0.00 0.52 0.00 0.00 54.79 55.41 2ijm n ASP 564 Cb 0.00 -3.82 -0.13 0.00 -0.72 0.00 0.00 41.12 36.45 2ijm n ASP 564 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2ijm s PHE 565 N -1.93 2.45 0.04 -0.67 0.40 -1.26 -3.90 117.98 113.11 2ijm s PHE 565 Ca 0.14 -0.32 -0.25 0.00 -0.60 0.00 0.00 56.93 55.90 2ijm s PHE 565 Cb -0.04 -1.40 -0.17 0.00 0.51 0.00 0.00 43.02 41.91 2ijm s PHE 565 CO 0.49 0.24 1.50 0.78 0.70 0.00 0.00 175.22 178.93 2ijm h GLY 566 N 4.46 -0.17 0.00 4.36 0.00 -1.84 -3.29 103.07 106.58 2ijm h GLY 566 Ca -0.48 0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2ijm h GLY 566 CO 0.45 -0.06 -0.37 1.47 0.00 0.00 0.00 176.54 178.03 2ijm n LEU 567 N -5.07 0.00 -2.23 3.11 -0.00 -1.25 -4.71 117.00 106.85 2ijm n LEU 567 Ca -0.09 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.87 2ijm n LEU 567 Cb 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.58 2ijm n LEU 567 CO 0.33 0.00 -0.07 -0.24 -0.00 0.00 0.00 177.39 177.41 2ijm n SER 568 N -0.88 -2.22 0.00 1.45 2.88 -1.24 -4.99 113.62 108.62 2ijm n SER 568 Ca 0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2ijm n SER 568 Cb 0.12 -2.03 0.00 0.00 -0.75 0.00 0.00 64.21 61.55 2ijm n SER 568 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2ijm n LEU 584 N -2.41 0.00 -1.95 2.46 4.77 -1.26 -5.10 117.00 113.51 2ijm n LEU 584 Ca -0.07 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.85 2ijm n LEU 584 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 2ijm n LEU 584 CO 0.08 0.00 1.20 -0.81 -1.33 0.00 0.00 177.39 176.53 2ijm n PRO 585 N 0.00 1.33 -0.25 3.23 -0.04 -1.26 -4.64 135.00 133.37 2ijm n PRO 585 Ca 0.00 -0.54 0.05 0.00 -0.04 0.00 0.00 63.50 62.97 2ijm n PRO 585 Cb 0.00 -1.65 0.17 0.00 -0.04 0.00 0.00 33.50 31.98 2ijm n PRO 585 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2ijm h ILE 586 N 1.89 0.41 0.00 0.52 1.08 -1.96 -1.16 117.51 118.29 2ijm h ILE 586 Ca 0.10 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 2ijm h ILE 586 Cb 1.07 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2ijm h ILE 586 CO 0.20 0.03 0.00 0.29 -0.69 0.00 0.00 178.15 177.98 2ijm n LYS 587 N -5.27 0.27 -0.01 2.37 5.02 -1.26 -2.15 118.16 117.13 2ijm n LYS 587 Ca 0.14 0.11 0.07 0.00 -2.02 0.00 0.00 58.31 56.61 2ijm n LYS 587 Cb 0.47 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.87 2ijm n LYS 587 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2ijm n TRP 588 N -1.28 0.00 -2.50 2.13 8.01 -0.46 -4.89 117.44 118.44 2ijm n TRP 588 Ca 0.09 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.90 2ijm n TRP 588 Cb 0.15 -0.29 -0.04 0.00 -2.01 0.00 0.00 31.31 29.11 2ijm n TRP 588 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2ijm s MET 589 N -2.93 4.22 0.65 -0.99 -1.94 -0.91 -3.87 119.30 113.52 2ijm s MET 589 Ca -0.04 1.59 -0.17 0.00 -1.71 0.00 0.00 55.69 55.36 2ijm s MET 589 Cb 0.09 -2.66 -0.01 0.00 2.01 0.00 0.00 34.83 34.27 2ijm s MET 589 CO 0.60 -0.11 1.23 0.00 -0.01 0.00 0.00 175.02 176.73 2ijm s ALA 590 N -1.55 2.37 0.19 3.03 0.00 -1.26 -4.83 121.76 119.72 2ijm s ALA 590 Ca 0.56 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 53.42 2ijm s ALA 590 Cb -0.25 -3.48 0.19 0.00 0.00 0.00 0.00 23.12 19.58 2ijm s ALA 590 CO 0.31 -1.49 1.77 -1.35 0.00 0.00 0.00 175.76 175.00 2ijm h PRO 591 N 0.43 0.46 -0.51 0.00 0.11 -1.94 -1.26 132.00 129.29 2ijm h PRO 591 Ca -0.50 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.69 2ijm h PRO 591 Cb 1.31 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2ijm h PRO 591 CO 0.53 0.30 0.35 1.05 -0.21 0.00 0.00 178.00 180.02 2ijm h GLU 592 N 0.47 0.21 -0.16 1.05 9.09 -1.88 0.49 114.58 123.85 2ijm h GLU 592 Ca 0.25 -0.01 -0.21 0.00 0.05 0.00 0.00 59.36 59.44 2ijm h GLU 592 Cb 0.22 -0.05 0.01 0.00 -1.65 0.00 0.00 28.75 27.28 2ijm h GLU 592 CO -0.21 0.14 -0.74 0.77 0.05 0.00 0.00 179.01 179.01 2ijm h SER 593 N 0.21 0.88 0.49 3.06 0.02 -1.24 0.15 113.55 117.13 2ijm h SER 593 Ca 0.24 -0.56 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 2ijm h SER 593 Cb 0.66 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2ijm h SER 593 CO -0.04 1.35 -0.24 0.40 -1.14 0.00 0.00 176.83 177.16 2ijm h ILE 594 N 0.52 0.00 -0.41 3.27 2.04 -0.65 -1.30 117.51 120.98 2ijm h ILE 594 Ca -0.04 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.48 2ijm h ILE 594 Cb 1.36 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 2ijm h ILE 594 CO 0.15 0.00 0.13 0.78 0.00 0.00 0.00 178.15 179.21 2ijm h ASN 595 N -1.05 0.11 0.00 1.72 2.35 -0.15 -3.35 115.58 115.21 2ijm h ASN 595 Ca -0.07 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2ijm h ASN 595 Cb 0.51 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.92 2ijm h ASN 595 CO 0.11 0.10 0.00 0.49 -1.65 0.00 0.00 177.43 176.48 2ijm n PHE 596 N -5.03 0.00 -1.75 1.19 3.01 0.50 -5.00 117.46 110.37 2ijm n PHE 596 Ca 0.03 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.29 2ijm n PHE 596 Cb 0.16 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.56 2ijm n PHE 596 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2ijm n ARG 597 N -0.11 -1.40 -2.50 -1.08 5.12 -0.49 -4.95 116.66 111.24 2ijm n ARG 597 Ca 0.00 1.13 -0.43 0.00 -1.93 0.00 0.00 57.85 56.62 2ijm n ARG 597 Cb 0.03 -5.52 -0.02 0.00 -1.16 0.00 0.00 32.46 25.79 2ijm n ARG 597 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2ijm s ARG 598 N -3.96 3.91 -0.24 5.56 0.52 -1.06 -4.90 118.95 118.77 2ijm s ARG 598 Ca 0.00 1.08 -0.04 0.00 -0.52 0.00 0.00 55.73 56.25 2ijm s ARG 598 Cb 0.00 -3.85 -0.00 0.00 0.52 0.00 0.00 34.95 31.62 2ijm s ARG 598 CO 0.00 -1.13 -0.01 -0.06 0.02 0.00 0.00 175.30 174.13 2ijm s PHE 599 N 4.26 3.03 0.35 -0.53 0.40 -1.26 -3.23 117.98 120.99 2ijm s PHE 599 Ca 0.52 -1.00 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 2ijm s PHE 599 Cb -0.14 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 2ijm s PHE 599 CO 0.23 -0.57 0.21 0.95 0.70 0.00 0.00 175.22 176.74 2ijm s THR 600 N 1.47 0.24 0.34 0.64 -4.23 -1.26 -4.99 115.64 107.86 2ijm s THR 600 Ca 0.04 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.64 2ijm s THR 600 Cb -0.15 -2.44 0.32 0.00 1.34 0.00 0.00 72.50 71.57 2ijm s THR 600 CO -0.02 0.00 1.85 0.77 -0.54 0.00 0.00 174.62 176.68 2ijm h SER 601 N 2.04 0.68 -0.20 3.99 4.64 -1.98 -2.08 113.55 120.64 2ijm h SER 601 Ca -0.30 0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 60.93 2ijm h SER 601 Cb 1.25 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2ijm h SER 601 CO 0.46 0.33 -0.37 0.00 -0.87 0.00 0.00 176.83 176.38 2ijm h ALA 602 N 1.60 0.76 0.00 5.18 0.00 -1.94 -2.77 119.26 122.09 2ijm h ALA 602 Ca 0.48 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2ijm h ALA 602 Cb 0.76 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2ijm h ALA 602 CO -0.24 0.65 -0.47 0.66 0.00 0.00 0.00 179.25 179.86 2ijm h SER 603 N 0.60 0.00 -0.69 0.00 4.64 -1.74 -2.42 113.55 113.94 2ijm h SER 603 Ca 0.06 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2ijm h SER 603 Cb 0.90 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.96 2ijm h SER 603 CO 0.08 0.47 0.34 0.44 -0.87 0.00 0.00 176.83 177.29 2ijm h ASP 604 N 0.00 0.91 -0.50 4.97 5.19 -1.19 -1.65 116.42 124.14 2ijm h ASP 604 Ca -0.00 -0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.21 2ijm h ASP 604 Cb 0.91 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 2ijm h ASP 604 CO 0.06 0.77 -0.07 0.58 -3.12 0.00 0.00 179.24 177.46 2ijm h VAL 605 N 1.00 1.27 -0.23 -1.35 2.07 -1.17 0.37 116.25 118.22 2ijm h VAL 605 Ca 0.24 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.62 2ijm h VAL 605 Cb 0.10 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2ijm h VAL 605 CO -0.03 0.42 -0.07 -0.25 0.02 0.00 0.00 177.57 177.66 2ijm h TRP 606 N 0.79 -0.15 -0.67 1.57 2.91 -1.23 -1.37 115.95 117.81 2ijm h TRP 606 Ca 0.13 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.18 2ijm h TRP 606 Cb 0.61 0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.33 2ijm h TRP 606 CO 0.05 -0.11 0.44 0.52 -1.03 0.00 0.00 178.44 178.30 2ijm h MET 607 N -0.02 0.87 -0.88 2.65 0.00 -0.88 -1.73 114.93 114.95 2ijm h MET 607 Ca 0.11 -0.05 0.10 0.00 0.00 0.00 0.00 59.70 59.86 2ijm h MET 607 Cb 0.19 -0.20 -0.08 0.00 0.00 0.00 0.00 31.60 31.51 2ijm h MET 607 CO -0.24 0.58 0.51 0.35 0.00 0.00 0.00 176.91 178.11 2ijm h PHE 608 N 0.90 0.93 -0.93 -0.22 3.57 -0.74 0.84 116.94 121.29 2ijm h PHE 608 Ca 0.25 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.83 2ijm h PHE 608 Cb -0.09 -0.29 -0.06 0.00 2.79 0.00 0.00 35.95 38.30 2ijm h PHE 608 CO -0.03 0.37 0.60 0.78 -2.23 0.00 0.00 178.31 177.80 2ijm h GLY 609 N 0.84 1.38 0.90 2.40 0.00 -0.35 0.57 103.07 108.81 2ijm h GLY 609 Ca 0.43 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 2ijm h GLY 609 CO -0.26 0.35 -0.21 -2.08 0.00 0.00 0.00 176.54 174.35 2ijm h VAL 610 N 1.13 1.31 -0.61 4.60 2.07 -0.87 -1.72 116.25 122.16 2ijm h VAL 610 Ca 0.39 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.62 2ijm h VAL 610 Cb 0.07 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2ijm h VAL 610 CO -0.14 0.42 0.32 0.00 0.02 0.00 0.00 177.57 178.20 2ijm h MET 612 N 0.60 0.36 -0.09 0.00 2.86 -0.75 -0.50 114.93 117.42 2ijm h MET 612 Ca 0.28 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.93 2ijm h MET 612 Cb 0.19 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 2ijm h MET 612 CO -0.19 0.24 -0.17 2.35 1.06 0.00 0.00 176.91 180.20 2ijm h TRP 613 N 0.37 -0.45 -0.52 -0.22 7.01 -0.76 -1.33 115.95 120.05 2ijm h TRP 613 Ca 0.23 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.35 2ijm h TRP 613 Cb 0.22 0.21 -0.10 0.00 -2.10 0.00 0.00 29.16 27.39 2ijm h TRP 613 CO -0.15 -0.25 -0.22 0.93 -2.79 0.00 0.00 178.44 175.96 2ijm h GLU 614 N -0.24 -0.10 -0.59 2.65 5.08 -0.26 0.36 114.58 121.48 2ijm h GLU 614 Ca 0.08 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 2ijm h GLU 614 Cb 0.36 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 2ijm h GLU 614 CO -0.23 -0.07 0.28 0.82 -1.00 0.00 0.00 179.01 178.82 2ijm h ILE 615 N -0.10 0.90 0.00 3.13 2.04 -0.88 0.45 117.51 123.05 2ijm h ILE 615 Ca 0.24 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 2ijm h ILE 615 Cb 0.48 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2ijm h ILE 615 CO -0.59 0.10 -0.25 -0.07 0.00 0.00 0.00 178.15 177.34 2ijm h LEU 616 N 0.53 0.00 -1.16 1.44 3.38 -0.28 -2.58 115.31 116.63 2ijm h LEU 616 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2ijm h LEU 616 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2ijm h LEU 616 CO -0.21 0.25 0.00 0.23 0.09 0.00 0.00 178.44 178.80 2ijm n MET 617 N -3.50 1.74 -3.34 1.13 2.81 0.03 -4.81 117.12 111.18 2ijm n MET 617 Ca -0.00 -1.14 -0.20 0.00 -1.81 0.00 0.00 57.70 54.55 2ijm n MET 617 Cb 0.41 -1.32 0.06 0.00 -0.71 0.00 0.00 33.22 31.66 2ijm n MET 617 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2ijm n HIS 618 N 0.39 -2.31 -0.68 2.03 8.25 -0.87 -3.08 115.22 118.94 2ijm n HIS 618 Ca 0.14 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 58.38 2ijm n HIS 618 Cb 0.30 -4.34 0.00 0.00 1.12 0.00 0.00 29.99 27.08 2ijm n HIS 618 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ijm n GLY 619 N -1.72 0.61 3.74 -1.41 0.00 0.10 -3.06 105.19 103.44 2ijm n GLY 619 Ca -0.01 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 2ijm n GLY 619 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ijm s VAL 620 N -2.00 3.95 0.30 1.61 1.01 -1.18 -4.92 120.40 119.17 2ijm s VAL 620 Ca 0.00 1.67 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 2ijm s VAL 620 Cb 0.00 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 2ijm s VAL 620 CO 0.00 0.28 1.15 -0.54 0.00 0.00 0.00 175.10 175.99 2ijm s LYS 621 N -0.29 4.55 0.44 2.72 1.02 -1.26 -4.58 119.74 122.34 2ijm s LYS 621 Ca 0.49 1.89 -0.24 0.00 0.02 0.00 0.00 55.97 58.13 2ijm s LYS 621 Cb -0.29 -3.14 -0.08 0.00 -0.52 0.00 0.00 37.83 33.81 2ijm s LYS 621 CO 0.34 0.10 1.26 -1.25 -0.92 0.00 0.00 175.35 174.89 2ijm s PRO 622 N -1.57 3.78 -1.25 -1.68 0.04 -1.26 -3.92 135.00 129.15 2ijm s PRO 622 Ca 0.46 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.52 2ijm s PRO 622 Cb -0.33 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.62 2ijm s PRO 622 CO 0.43 -0.61 0.78 1.19 0.04 0.00 0.00 177.00 178.83 2ijm n PHE 623 N -0.23 -2.01 0.18 0.56 3.01 -1.26 -4.92 117.46 112.79 2ijm n PHE 623 Ca 0.06 0.83 -0.14 0.00 1.01 0.00 0.00 57.45 59.20 2ijm n PHE 623 Cb 0.45 -4.41 -0.07 0.00 -0.01 0.00 0.00 39.48 35.44 2ijm n PHE 623 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2ijm h GLN 624 N -1.80 -0.61 -2.02 -1.08 1.08 -2.00 -3.12 115.11 105.56 2ijm h GLN 624 Ca -0.61 0.04 -0.70 0.00 -1.45 0.00 0.00 58.65 55.93 2ijm h GLN 624 Cb 1.35 0.14 -0.24 0.00 -0.05 0.00 0.00 27.48 28.67 2ijm h GLN 624 CO 0.53 -0.41 0.92 0.41 -0.95 0.00 0.00 178.83 179.34 2ijm n GLY 625 N -1.43 5.25 2.80 3.46 0.00 -1.26 -4.89 105.19 109.12 2ijm n GLY 625 Ca -0.08 -2.33 -0.14 0.00 0.00 0.00 0.00 46.02 43.46 2ijm n GLY 625 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ijm s VAL 626 N -4.28 -0.05 0.49 1.61 1.01 -1.18 -5.15 120.40 112.84 2ijm s VAL 626 Ca 0.53 0.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.47 2ijm s VAL 626 Cb 0.41 -0.07 -0.08 0.00 0.00 0.00 0.00 36.38 36.65 2ijm s VAL 626 CO -0.35 0.07 1.07 -0.54 0.00 0.00 0.00 175.10 175.34 2ijm s LYS 627 N 0.83 3.74 0.41 2.72 3.01 -1.26 -4.95 119.74 124.23 2ijm s LYS 627 Ca -0.07 1.47 0.12 0.00 -1.01 0.00 0.00 55.97 56.48 2ijm s LYS 627 Cb -0.10 -2.15 0.95 0.00 -1.01 0.00 0.00 37.83 35.52 2ijm s LYS 627 CO -0.02 -0.50 1.96 -0.91 0.51 0.00 0.00 175.35 176.39 2ijm h ASN 628 N 1.63 0.46 0.46 2.83 2.35 -2.00 -1.11 115.58 120.20 2ijm h ASN 628 Ca -0.49 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2ijm h ASN 628 Cb 1.23 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.52 2ijm h ASN 628 CO 0.59 0.27 0.00 0.59 -1.65 0.00 0.00 177.43 177.23 2ijm n ASN 629 N -4.48 0.45 -0.00 5.81 5.03 -1.26 -2.57 115.26 118.24 2ijm n ASN 629 Ca 0.11 0.64 0.10 0.00 0.87 0.00 0.00 54.58 56.30 2ijm n ASN 629 Cb 0.35 -0.72 -0.13 0.00 -1.02 0.00 0.00 39.78 38.26 2ijm n ASN 629 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2ijm n ASP 630 N -2.03 0.74 -0.02 6.41 8.00 -0.42 -4.54 116.55 124.70 2ijm n ASP 630 Ca 0.01 -0.73 -0.11 0.00 0.71 0.00 0.00 54.79 54.67 2ijm n ASP 630 Cb 0.15 1.26 -0.05 0.00 -0.02 0.00 0.00 41.12 42.46 2ijm n ASP 630 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2ijm h VAL 631 N 0.00 1.10 -0.52 2.53 2.07 -1.51 -2.50 116.25 117.42 2ijm h VAL 631 Ca 0.00 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 2ijm h VAL 631 Cb 0.62 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2ijm h VAL 631 CO 0.00 0.09 0.09 -0.29 0.02 0.00 0.00 177.57 177.48 2ijm h ILE 632 N 0.10 1.23 -0.86 4.57 6.09 -1.80 -0.67 117.51 126.17 2ijm h ILE 632 Ca 0.04 -0.87 -0.02 0.00 -1.37 0.00 0.00 64.86 62.64 2ijm h ILE 632 Cb 0.09 0.74 -0.04 0.00 0.47 0.00 0.00 36.82 38.08 2ijm h ILE 632 CO -0.01 0.32 0.46 1.23 -3.07 0.00 0.00 178.15 177.08 2ijm h GLY 633 N 0.97 1.30 0.89 8.18 0.00 -1.79 0.14 103.07 112.75 2ijm h GLY 633 Ca 0.17 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 2ijm h GLY 633 CO 0.00 0.58 -0.18 3.21 0.00 0.00 0.00 176.54 180.16 2ijm h ARG 634 N 1.21 0.57 -0.12 4.80 3.08 -0.93 -2.17 114.38 120.82 2ijm h ARG 634 Ca 0.30 -0.27 0.03 0.00 0.07 0.00 0.00 59.98 60.10 2ijm h ARG 634 Cb 0.05 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2ijm h ARG 634 CO -0.05 0.85 -0.04 0.82 -1.07 0.00 0.00 179.97 180.49 2ijm h ILE 635 N 0.30 0.86 0.00 2.04 2.04 -0.93 -1.59 117.51 120.22 2ijm h ILE 635 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2ijm h ILE 635 Cb 0.71 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2ijm h ILE 635 CO 0.05 0.00 0.00 -0.33 0.00 0.00 0.00 178.15 177.87 2ijm h GLU 636 N -0.02 0.00 -0.79 2.37 5.08 -0.71 0.31 114.58 120.83 2ijm h GLU 636 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2ijm h GLU 636 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2ijm h GLU 636 CO -0.13 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.97 2ijm n ASN 637 N -3.06 1.37 -0.59 1.42 5.03 -0.82 -4.88 115.26 113.73 2ijm n ASN 637 Ca -0.01 -2.09 -0.08 0.00 0.87 0.00 0.00 54.58 53.27 2ijm n ASN 637 Cb 0.21 -0.44 -0.03 0.00 -1.02 0.00 0.00 39.78 38.50 2ijm n ASN 637 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ijm n GLY 638 N 0.18 0.95 3.85 7.41 0.00 0.11 -5.01 105.19 112.68 2ijm n GLY 638 Ca 0.03 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 2ijm n GLY 638 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ijm s GLU 639 N -2.41 3.96 0.04 1.61 2.12 -0.62 -5.01 118.70 118.39 2ijm s GLU 639 Ca 0.00 0.49 -0.00 0.00 0.36 0.00 0.00 54.97 55.81 2ijm s GLU 639 Cb 0.00 -2.83 -0.03 0.00 0.26 0.00 0.00 34.13 31.53 2ijm s GLU 639 CO 0.00 0.42 -0.04 1.03 -0.54 0.00 0.00 175.26 176.13 2ijm s ARG 640 N -2.21 0.48 0.31 4.30 1.81 -1.26 -4.22 118.95 118.15 2ijm s ARG 640 Ca 0.41 -0.91 -0.28 0.00 -1.72 0.00 0.00 55.73 53.22 2ijm s ARG 640 Cb -0.14 0.11 -0.13 0.00 -0.45 0.00 0.00 34.95 34.34 2ijm s ARG 640 CO 0.20 -0.07 1.21 1.28 -0.68 0.00 0.00 175.30 177.24 2ijm n LEU 641 N 0.88 2.90 -4.80 2.53 4.77 -1.26 -4.94 117.00 117.08 2ijm n LEU 641 Ca -0.19 1.19 -0.31 0.00 -0.03 0.00 0.00 56.01 56.67 2ijm n LEU 641 Cb 0.58 -1.41 0.07 0.00 -2.33 0.00 0.00 43.42 40.33 2ijm n LEU 641 CO 0.24 -0.79 0.71 -2.16 -1.33 0.00 0.00 177.39 174.05 2ijm s PRO 642 N -1.59 2.55 0.05 3.23 0.04 -1.26 -4.97 135.00 133.06 2ijm s PRO 642 Ca 0.58 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 2ijm s PRO 642 Cb -0.63 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 31.88 2ijm s PRO 642 CO 0.60 -1.37 1.96 -0.12 0.04 0.00 0.00 177.00 178.10 2ijm n MET 643 N -3.31 2.88 -2.09 4.56 1.56 -1.26 -4.97 117.12 114.49 2ijm n MET 643 Ca 0.08 1.06 -0.38 0.00 -0.27 0.00 0.00 57.70 58.19 2ijm n MET 643 Cb 0.54 -3.01 0.01 0.00 2.15 0.00 0.00 33.22 32.91 2ijm n MET 643 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 2ijm s PRO 644 N 4.21 3.57 0.39 2.12 0.02 -1.26 -4.96 135.00 139.08 2ijm s PRO 644 Ca 0.88 1.95 -0.27 0.00 0.02 0.00 0.00 61.00 63.58 2ijm s PRO 644 Cb -0.44 -2.38 -0.11 0.00 0.02 0.00 0.00 34.50 31.59 2ijm s PRO 644 CO 0.41 -0.76 1.42 -2.30 -0.33 0.00 0.00 177.00 175.45 2ijm n PRO 645 N -0.62 2.44 -0.30 5.54 -0.02 -1.26 -2.07 135.00 138.70 2ijm n PRO 645 Ca 0.08 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2ijm n PRO 645 Cb 0.47 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2ijm n PRO 645 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2ijm n ASN 646 N 0.37 0.00 -4.68 2.55 4.13 -1.26 -4.97 115.26 111.40 2ijm n ASN 646 Ca 0.03 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.87 2ijm n ASN 646 Cb 0.39 -1.16 -0.03 0.00 -1.54 0.00 0.00 39.78 37.44 2ijm n ASN 646 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ijm s PRO 648 N 3.05 4.32 0.34 0.00 0.04 -1.26 -4.84 135.00 136.66 2ijm s PRO 648 Ca 0.75 2.26 0.08 0.00 0.04 0.00 0.00 61.00 64.13 2ijm s PRO 648 Cb -0.39 -3.06 0.78 0.00 0.04 0.00 0.00 34.50 31.87 2ijm s PRO 648 CO 0.33 -0.23 1.85 -1.35 0.04 0.00 0.00 177.00 177.64 2ijm h PRO 649 N 3.34 0.72 -0.80 0.56 0.11 -1.98 0.22 132.00 134.16 2ijm h PRO 649 Ca -0.49 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.68 2ijm h PRO 649 Cb 1.23 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 2ijm h PRO 649 CO 0.65 0.47 0.53 1.79 -0.21 0.00 0.00 178.00 181.23 2ijm h THR 650 N 0.74 0.92 -0.01 -1.15 1.35 -1.99 0.16 112.91 112.93 2ijm h THR 650 Ca 0.47 -0.24 -0.13 0.00 -0.55 0.00 0.00 66.41 65.96 2ijm h THR 650 Cb 0.71 0.16 0.01 0.00 -1.73 0.00 0.00 68.15 67.30 2ijm h THR 650 CO -0.23 0.13 -0.51 0.25 -0.25 0.00 0.00 175.52 174.91 2ijm h LEU 651 N 0.70 0.47 -1.47 3.87 6.46 -0.97 -2.90 115.31 121.46 2ijm h LEU 651 Ca 0.38 -0.75 -0.04 0.00 -0.12 0.00 0.00 57.88 57.36 2ijm h LEU 651 Cb 0.51 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 2ijm h LEU 651 CO -0.15 1.15 -0.04 0.22 -0.62 0.00 0.00 178.44 179.00 2ijm h TYR 652 N -0.17 0.30 -0.33 1.25 3.20 -0.95 -0.91 116.97 119.35 2ijm h TYR 652 Ca -0.06 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.74 2ijm h TYR 652 Cb 1.22 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 2ijm h TYR 652 CO 0.15 0.34 0.02 1.03 -1.64 0.00 0.00 178.16 178.06 2ijm h SER 653 N 0.28 0.47 -0.01 -2.11 0.87 -0.70 -1.41 113.55 110.95 2ijm h SER 653 Ca 0.06 -0.08 -0.20 0.00 -1.23 0.00 0.00 61.79 60.35 2ijm h SER 653 Cb 0.26 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2ijm h SER 653 CO 0.01 0.53 -0.76 0.25 -0.53 0.00 0.00 176.83 176.33 2ijm h LEU 654 N 0.49 0.68 -0.81 2.23 5.85 -1.13 -2.36 115.31 120.27 2ijm h LEU 654 Ca 0.11 -0.74 0.12 0.00 0.84 0.00 0.00 57.88 58.20 2ijm h LEU 654 Cb 0.29 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 2ijm h LEU 654 CO 0.01 1.34 0.43 0.24 -0.34 0.00 0.00 178.44 180.12 2ijm h MET 655 N 0.10 0.66 -0.51 1.25 2.86 -0.99 -2.17 114.93 116.13 2ijm h MET 655 Ca -0.09 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 2ijm h MET 655 Cb 1.44 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 2ijm h MET 655 CO 0.15 0.44 0.01 1.15 1.06 0.00 0.00 176.91 179.72 2ijm h THR 656 N 0.68 1.25 -0.77 2.22 2.02 -1.19 -2.36 112.91 114.77 2ijm h THR 656 Ca 0.42 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 2ijm h THR 656 Cb 0.49 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 2ijm h THR 656 CO -0.30 0.37 0.40 0.11 0.37 0.00 0.00 175.52 176.47 2ijm h LYS 657 N 0.80 1.08 0.00 6.66 1.57 -0.86 -2.08 116.57 123.75 2ijm h LYS 657 Ca 0.15 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2ijm h LYS 657 Cb 0.46 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2ijm h LYS 657 CO 0.02 0.81 -0.08 0.00 -0.57 0.00 0.00 179.45 179.64 2ijm n TRP 659 N -3.79 2.88 -2.06 0.00 8.01 -0.79 -3.41 117.44 118.28 2ijm n TRP 659 Ca -0.02 -2.00 -0.42 0.00 -1.31 0.00 0.00 57.50 53.75 2ijm n TRP 659 Cb 0.17 -0.96 -0.03 0.00 -2.01 0.00 0.00 31.31 28.48 2ijm n TRP 659 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2ijm s ALA 660 N -3.37 3.66 0.21 6.99 0.00 -0.96 -4.89 121.76 123.39 2ijm s ALA 660 Ca 0.57 1.17 -0.09 0.00 0.00 0.00 0.00 51.96 53.61 2ijm s ALA 660 Cb 0.48 -3.60 0.25 0.00 0.00 0.00 0.00 23.12 20.24 2ijm s ALA 660 CO 0.08 -0.81 1.81 -0.92 0.00 0.00 0.00 175.76 175.92 2ijm h TYR 661 N 7.29 0.69 -3.34 0.00 3.20 -1.92 -3.38 116.97 119.51 2ijm h TYR 661 Ca -0.42 0.03 -0.56 0.00 3.14 0.00 0.00 58.73 60.91 2ijm h TYR 661 Cb 1.20 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 39.20 2ijm h TYR 661 CO 0.70 0.33 1.04 0.34 -1.64 0.00 0.00 178.16 178.93 2ijm s ASP 662 N -5.60 6.38 0.37 -2.11 -1.08 -1.26 -4.83 116.67 108.54 2ijm s ASP 662 Ca -0.13 0.70 0.12 0.00 -0.52 0.00 0.00 52.55 52.73 2ijm s ASP 662 Cb 0.16 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 40.01 2ijm s ASP 662 CO 0.76 -1.42 1.83 1.55 0.52 0.00 0.00 175.17 178.40 2ijm h PRO 663 N 10.44 0.56 0.00 4.34 0.13 -1.96 -1.70 132.00 143.80 2ijm h PRO 663 Ca -0.27 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2ijm h PRO 663 Cb 1.09 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2ijm h PRO 663 CO 1.10 0.37 0.00 -1.13 -0.23 0.00 0.00 178.00 178.11 2ijm n SER 664 N -4.61 0.00 0.03 1.44 3.41 -1.26 -1.88 113.62 110.76 2ijm n SER 664 Ca 0.21 0.40 0.11 0.00 -0.26 0.00 0.00 58.87 59.33 2ijm n SER 664 Cb 0.63 -0.46 0.02 0.00 -0.26 0.00 0.00 64.21 64.14 2ijm n SER 664 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2ijm n ARG 665 N -1.46 0.32 -2.22 4.33 3.00 -0.64 -4.94 116.66 115.05 2ijm n ARG 665 Ca 0.06 -0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.49 2ijm n ARG 665 Cb 0.21 -1.60 -0.03 0.00 0.00 0.00 0.00 32.46 31.04 2ijm n ARG 665 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2ijm s ARG 666 N -3.22 4.41 0.81 -0.14 0.52 -0.79 -4.96 118.95 115.59 2ijm s ARG 666 Ca 0.03 2.08 -0.14 0.00 -0.52 0.00 0.00 55.73 57.19 2ijm s ARG 666 Cb 0.14 -3.14 0.06 0.00 0.52 0.00 0.00 34.95 32.53 2ijm s ARG 666 CO 0.80 -0.16 1.04 -0.35 0.02 0.00 0.00 175.30 176.66 2ijm n PRO 667 N 1.69 0.14 -2.36 3.54 -0.04 -1.26 -5.05 135.00 131.66 2ijm n PRO 667 Ca 0.03 0.12 -0.25 0.00 -0.04 0.00 0.00 63.50 63.36 2ijm n PRO 667 Cb 0.43 -2.30 0.08 0.00 -0.04 0.00 0.00 33.50 31.66 2ijm n PRO 667 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2ijm s ARG 668 N -3.90 2.03 0.40 0.54 0.52 -1.26 -4.93 118.95 112.35 2ijm s ARG 668 Ca 0.71 -0.57 0.20 0.00 -0.52 0.00 0.00 55.73 55.55 2ijm s ARG 668 Cb -0.29 -2.25 0.75 0.00 0.52 0.00 0.00 34.95 33.68 2ijm s ARG 668 CO 0.53 -1.26 1.76 0.74 0.02 0.00 0.00 175.30 177.10 2ijm h PHE 669 N -0.52 0.00 -0.34 -0.53 -1.00 -1.94 -2.22 116.94 110.40 2ijm h PHE 669 Ca -0.42 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.37 2ijm h PHE 669 Cb 1.29 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.83 2ijm h PHE 669 CO 0.10 0.33 0.20 1.15 -1.61 0.00 0.00 178.31 178.48 2ijm h THR 670 N 0.00 1.04 -0.01 -1.55 2.02 -1.91 0.26 112.91 112.76 2ijm h THR 670 Ca -0.00 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 2ijm h THR 670 Cb 0.85 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2ijm h THR 670 CO 0.04 0.08 0.00 -0.08 0.37 0.00 0.00 175.52 175.93 2ijm h GLU 671 N 0.41 0.01 -0.42 6.66 4.81 -1.91 -2.66 114.58 121.49 2ijm h GLU 671 Ca 0.13 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.43 2ijm h GLU 671 Cb -0.00 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 2ijm h GLU 671 CO -0.06 0.17 0.09 -0.07 -0.73 0.00 0.00 179.01 178.41 2ijm h LEU 672 N -0.15 0.02 -0.55 1.64 3.38 -1.28 -0.53 115.31 117.83 2ijm h LEU 672 Ca 0.00 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2ijm h LEU 672 Cb 0.16 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2ijm h LEU 672 CO -0.00 0.05 0.36 0.50 0.09 0.00 0.00 178.44 179.44 2ijm h LYS 673 N 0.22 0.71 -0.43 1.13 3.64 -0.96 0.41 116.57 121.29 2ijm h LYS 673 Ca 0.20 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2ijm h LYS 673 Cb 0.25 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2ijm h LYS 673 CO -0.26 0.47 0.17 0.00 -2.27 0.00 0.00 179.45 177.56 2ijm h ALA 674 N 1.21 0.56 -0.60 5.00 0.00 -1.19 -1.37 119.26 122.87 2ijm h ALA 674 Ca 0.21 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2ijm h ALA 674 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2ijm h ALA 674 CO -0.05 0.17 0.03 1.96 0.00 0.00 0.00 179.25 181.36 2ijm h GLN 675 N 0.55 1.03 -0.19 0.00 1.08 -0.83 -2.24 115.11 114.51 2ijm h GLN 675 Ca 0.14 -0.30 -0.15 0.00 -1.45 0.00 0.00 58.65 56.89 2ijm h GLN 675 Cb 0.20 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2ijm h GLN 675 CO -0.01 0.98 -0.51 -0.07 -0.95 0.00 0.00 178.83 178.28 2ijm h LEU 676 N 0.95 0.57 -0.36 1.46 3.38 -0.90 -0.41 115.31 120.00 2ijm h LEU 676 Ca 0.18 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2ijm h LEU 676 Cb 0.50 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2ijm h LEU 676 CO 0.02 0.98 0.08 -1.28 0.09 0.00 0.00 178.44 178.34 2ijm h SER 677 N 0.41 0.04 -0.26 -0.43 0.87 -1.10 0.16 113.55 113.25 2ijm h SER 677 Ca 0.02 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2ijm h SER 677 Cb 1.03 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 2ijm h SER 677 CO 0.09 0.06 0.12 0.74 -0.53 0.00 0.00 176.83 177.31 2ijm h THR 678 N 0.21 1.15 -0.61 2.23 2.02 -1.23 -0.38 112.91 116.30 2ijm h THR 678 Ca 0.17 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 2ijm h THR 678 Cb 0.18 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2ijm h THR 678 CO -0.21 0.15 0.11 0.40 0.37 0.00 0.00 175.52 176.34 2ijm h ILE 679 N 0.28 1.25 -0.26 3.11 2.04 -0.83 -0.42 117.51 122.68 2ijm h ILE 679 Ca 0.09 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 2ijm h ILE 679 Cb 0.13 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2ijm h ILE 679 CO -0.01 0.36 -0.07 0.25 0.00 0.00 0.00 178.15 178.69 2ijm h LEU 680 N 0.94 0.51 -1.28 1.44 5.85 -0.56 -1.18 115.31 121.02 2ijm h LEU 680 Ca 0.19 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 2ijm h LEU 680 Cb 0.40 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2ijm h LEU 680 CO 0.01 0.76 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.35 2ijm h GLU 681 N 0.25 0.26 0.82 1.25 4.39 -0.83 -0.30 114.58 120.42 2ijm h GLU 681 Ca 0.07 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2ijm h GLU 681 Cb 0.54 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2ijm h GLU 681 CO 0.03 0.44 -0.39 1.49 -1.16 0.00 0.00 179.01 179.42 2ijm h GLU 682 N 0.24 -1.06 -0.70 2.33 4.81 -0.95 -2.19 114.58 117.06 2ijm h GLU 682 Ca 0.05 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.44 2ijm h GLU 682 Cb 0.47 0.24 -0.07 0.00 0.63 0.00 0.00 28.75 30.02 2ijm h GLU 682 CO 0.03 -0.70 0.34 1.49 -0.73 0.00 0.00 179.01 179.43 2ijm h GLU 683 N -1.28 0.56 -0.64 1.92 4.57 -1.03 -2.57 114.58 116.11 2ijm h GLU 683 Ca -0.11 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 57.96 2ijm h GLU 683 Cb 0.85 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.29 2ijm h GLU 683 CO 0.19 0.37 0.10 0.87 -1.18 0.00 0.00 179.01 179.35 2ijm h LYS 684 N 0.57 1.05 -0.30 1.92 1.57 -1.09 -2.28 116.57 118.01 2ijm h LYS 684 Ca 0.35 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2ijm h LYS 684 Cb 0.38 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2ijm h LYS 684 CO -0.28 0.97 -0.11 0.00 -0.57 0.00 0.00 179.45 179.47 2ijm h ALA 685 N 1.11 1.26 -0.41 3.86 0.00 -1.02 -0.71 119.26 123.35 2ijm h ALA 685 Ca 0.20 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2ijm h ALA 685 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2ijm h ALA 685 CO 0.01 0.49 -0.34 1.96 0.00 0.00 0.00 179.25 181.37 2ijm h GLN 686 N 0.47 0.95 0.00 0.00 4.20 -1.24 -2.41 115.11 117.07 2ijm h GLN 686 Ca 0.09 -0.48 -0.05 0.00 0.06 0.00 0.00 58.65 58.27 2ijm h GLN 686 Cb 0.47 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2ijm h GLN 686 CO 0.03 1.14 -0.22 1.96 -0.67 0.00 0.00 178.83 181.07 2ijm h GLN 687 N 0.78 0.00 -0.02 1.46 1.08 -1.16 -3.09 115.11 114.16 2ijm h GLN 687 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2ijm h GLN 687 Cb 0.94 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 2ijm h GLN 687 CO 0.09 0.22 -0.06 0.39 -0.95 0.00 0.00 178.83 178.52 2ijm n GLU 688 N -3.27 1.88 0.00 1.46 1.02 -0.29 -5.10 120.64 116.34 2ijm n GLU 688 Ca 0.01 -1.39 0.15 0.00 -0.02 0.00 0.00 57.16 55.91 2ijm n GLU 688 Cb 0.50 -1.47 0.66 0.00 -0.02 0.00 0.00 31.44 31.11 2ijm n GLU 688 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70