#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kn6 n ASP 416 N 0.00 3.34 -4.74 -5.58 10.43 -1.26 -4.91 116.55 113.83 3kn6 n ASP 416 Ca 0.00 1.22 -0.42 0.00 2.57 0.00 0.00 54.79 58.16 3kn6 n ASP 416 Cb 0.00 -1.56 -0.01 0.00 1.84 0.00 0.00 41.12 41.39 3kn6 n ASP 416 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3kn6 n SER 417 N 0.69 3.51 -0.30 -2.24 3.41 -1.26 -4.82 113.62 112.60 3kn6 n SER 417 Ca 0.03 1.19 0.11 0.00 -0.26 0.00 0.00 58.87 59.95 3kn6 n SER 417 Cb 0.37 -1.57 0.28 0.00 -0.26 0.00 0.00 64.21 63.04 3kn6 n SER 417 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3kn6 h PRO 418 N 3.55 0.46 -0.85 4.33 0.11 -1.91 -0.83 132.00 136.86 3kn6 h PRO 418 Ca -0.48 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.75 3kn6 h PRO 418 Cb 1.25 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 32.16 3kn6 h PRO 418 CO 0.69 0.30 0.43 0.35 -0.21 0.00 0.00 178.00 179.57 3kn6 h PHE 419 N 0.47 0.76 0.00 0.65 3.57 -1.88 -0.42 116.94 120.08 3kn6 h PHE 419 Ca 0.53 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.06 3kn6 h PHE 419 Cb 0.93 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.46 3kn6 h PHE 419 CO -0.12 0.18 0.00 1.88 -2.23 0.00 0.00 178.31 178.02 3kn6 h TYR 420 N 0.62 0.00 0.00 0.41 0.05 -1.36 -0.51 116.97 116.18 3kn6 h TYR 420 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.24 3kn6 h TYR 420 Cb 0.65 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.39 3kn6 h TYR 420 CO -0.09 0.00 0.00 1.96 -1.05 0.00 0.00 178.16 178.98 3kn6 h GLN 421 N 0.00 0.00 0.00 4.88 4.20 -1.06 -3.36 115.11 119.77 3kn6 h GLN 421 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3kn6 h GLN 421 Cb 0.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3kn6 h GLN 421 CO 0.00 0.00 -1.43 0.72 -0.67 0.00 0.00 178.83 177.45 3kn6 n HIS 422 N -2.52 0.00 -4.21 2.96 8.25 -0.89 -4.96 115.22 113.85 3kn6 n HIS 422 Ca 0.05 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.33 3kn6 n HIS 422 Cb 0.46 -0.26 -0.12 0.00 1.12 0.00 0.00 29.99 31.19 3kn6 n HIS 422 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kn6 s TYR 423 N -2.40 1.09 -0.05 4.41 2.02 -0.25 -1.23 117.35 120.93 3kn6 s TYR 423 Ca -0.03 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.24 3kn6 s TYR 423 Cb 0.04 -0.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 3kn6 s TYR 423 CO 0.32 0.02 0.03 -0.51 -1.57 0.00 0.00 175.55 173.84 3kn6 s ASP 424 N -1.43 5.39 -0.09 2.29 1.01 -0.13 -4.43 116.67 119.29 3kn6 s ASP 424 Ca -0.02 0.13 -0.02 0.00 0.71 0.00 0.00 52.55 53.35 3kn6 s ASP 424 Cb -0.09 -1.52 -0.03 0.00 1.01 0.00 0.00 42.92 42.29 3kn6 s ASP 424 CO 0.01 0.33 0.01 -0.22 0.21 0.00 0.00 175.17 175.52 3kn6 s LEU 425 N -1.24 3.61 -0.84 1.23 2.96 -1.26 -1.34 118.68 121.80 3kn6 s LEU 425 Ca 0.17 0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 54.21 3kn6 s LEU 425 Cb -0.12 -1.83 0.21 0.00 0.50 0.00 0.00 46.19 44.95 3kn6 s LEU 425 CO 0.07 0.38 0.72 -0.62 -1.32 0.00 0.00 176.35 175.57 3kn6 s ASP 426 N -0.90 5.91 0.17 3.68 3.68 -1.26 -4.93 116.67 123.01 3kn6 s ASP 426 Ca 0.13 -3.49 0.10 0.00 2.13 0.00 0.00 52.55 51.43 3kn6 s ASP 426 Cb -0.11 -1.92 0.56 0.00 -1.45 0.00 0.00 42.92 40.00 3kn6 s ASP 426 CO 0.02 -0.24 1.29 0.18 0.13 0.00 0.00 175.17 176.55 3kn6 n LEU 427 N 2.66 0.27 -0.16 -1.34 4.32 -1.26 -2.42 117.00 119.08 3kn6 n LEU 427 Ca 0.18 0.60 -0.11 0.00 -0.02 0.00 0.00 56.01 56.66 3kn6 n LEU 427 Cb 0.38 -0.63 -0.01 0.00 -1.62 0.00 0.00 43.42 41.54 3kn6 n LEU 427 CO 0.36 -0.69 0.68 0.07 -1.22 0.00 0.00 177.39 176.59 3kn6 h LYS 428 N 0.00 0.95 -6.58 3.23 2.10 -2.02 -3.43 116.57 110.82 3kn6 h LYS 428 Ca 0.00 -0.40 -0.51 0.00 -2.00 0.00 0.00 60.65 57.74 3kn6 h LYS 428 Cb 0.09 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.36 3kn6 h LYS 428 CO 0.00 1.06 0.33 -0.51 -2.00 0.00 0.00 179.45 178.33 3kn6 s ASP 429 N -6.64 7.50 0.75 7.07 1.11 -1.01 -5.02 116.67 120.43 3kn6 s ASP 429 Ca -0.12 1.79 -0.15 0.00 0.18 0.00 0.00 52.55 54.25 3kn6 s ASP 429 Cb 0.12 -2.58 0.05 0.00 1.07 0.00 0.00 42.92 41.58 3kn6 s ASP 429 CO 0.86 0.00 1.21 -1.59 1.18 0.00 0.00 175.17 176.83 3kn6 s LYS 430 N -0.30 2.00 0.47 8.23 -2.85 -1.26 -4.92 119.74 121.10 3kn6 s LYS 430 Ca 0.44 1.77 -0.23 0.00 -1.00 0.00 0.00 55.97 56.95 3kn6 s LYS 430 Cb -0.24 -1.82 -0.09 0.00 -2.06 0.00 0.00 37.83 33.63 3kn6 s LYS 430 CO 0.29 -1.95 1.12 -2.30 0.10 0.00 0.00 175.35 172.62 3kn6 n PRO 431 N -2.87 1.49 0.22 1.78 -0.02 -1.26 -4.89 135.00 129.45 3kn6 n PRO 431 Ca 0.14 0.54 0.05 0.00 -2.02 0.00 0.00 63.50 62.21 3kn6 n PRO 431 Cb 0.50 -2.23 0.48 0.00 -0.02 0.00 0.00 33.50 32.23 3kn6 n PRO 431 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kn6 h LEU 432 N 1.51 0.00 -7.20 2.45 3.38 -0.40 -3.46 115.31 111.58 3kn6 h LEU 432 Ca -0.47 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.69 3kn6 h LEU 432 Cb 1.32 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.94 3kn6 h LEU 432 CO 0.57 0.24 0.61 -0.83 0.09 0.00 0.00 178.44 179.11 3kn6 s GLY 433 N -4.23 -0.36 0.22 0.83 0.00 -1.12 -4.97 107.32 97.69 3kn6 s GLY 433 Ca -0.03 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.55 3kn6 s GLY 433 CO 0.69 0.26 0.17 -0.54 0.00 0.00 0.00 173.10 173.68 3kn6 s GLU 434 N -2.91 1.31 0.00 2.90 2.02 -1.26 -0.85 118.70 119.91 3kn6 s GLU 434 Ca 0.09 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.39 3kn6 s GLU 434 Cb -0.00 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.51 3kn6 s GLU 434 CO -0.05 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.20 3kn6 n GLY 435 N -0.34 -0.57 3.59 -1.39 0.00 -0.85 -4.95 105.19 100.69 3kn6 n GLY 435 Ca 0.03 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3kn6 n GLY 435 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kn6 s SER 436 N -4.00 5.65 -1.85 1.61 0.01 -1.26 -3.31 113.70 110.54 3kn6 s SER 436 Ca 0.00 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.39 3kn6 s SER 436 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 3kn6 s SER 436 CO 0.00 -1.93 0.00 0.49 0.41 0.00 0.00 173.24 172.21 3kn6 n PHE 437 N 11.23 -0.53 -3.97 2.43 3.72 -1.26 -4.93 117.46 124.15 3kn6 n PHE 437 Ca 0.24 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.55 3kn6 n PHE 437 Cb 0.48 -3.46 -0.10 0.00 -0.94 0.00 0.00 39.48 35.46 3kn6 n PHE 437 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kn6 s SER 438 N -2.37 0.25 -0.00 4.37 1.04 -1.21 -0.89 113.70 114.90 3kn6 s SER 438 Ca 0.00 -0.64 -0.06 0.00 0.48 0.00 0.00 55.95 55.72 3kn6 s SER 438 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3kn6 s SER 438 CO 0.00 -0.52 0.12 -0.51 0.98 0.00 0.00 173.24 173.31 3kn6 s ILE 439 N -2.86 0.07 -0.17 -1.02 2.07 -0.53 -2.00 121.20 116.77 3kn6 s ILE 439 Ca -0.03 -0.62 -0.01 0.00 -1.41 0.00 0.00 60.65 58.59 3kn6 s ILE 439 Cb 0.00 -0.38 -0.00 0.00 0.13 0.00 0.00 42.46 42.21 3kn6 s ILE 439 CO -0.06 -0.34 -0.12 0.00 -1.91 0.00 0.00 174.94 172.51 3kn6 s ARG 441 N 0.91 0.92 0.47 0.00 0.52 -0.30 0.41 118.95 121.88 3kn6 s ARG 441 Ca -0.03 -1.08 -0.23 0.00 -0.52 0.00 0.00 55.73 53.87 3kn6 s ARG 441 Cb -0.15 -0.88 -0.07 0.00 0.52 0.00 0.00 34.95 34.37 3kn6 s ARG 441 CO -0.01 0.19 1.23 0.21 0.02 0.00 0.00 175.30 176.93 3kn6 s LYS 442 N -2.14 3.65 0.19 3.54 2.20 -1.26 -0.23 119.74 125.70 3kn6 s LYS 442 Ca 0.03 1.93 -0.06 0.00 -0.36 0.00 0.00 55.97 57.51 3kn6 s LYS 442 Cb -0.08 -2.43 -0.02 0.00 -1.51 0.00 0.00 37.83 33.79 3kn6 s LYS 442 CO 0.03 -0.68 0.25 0.00 -0.36 0.00 0.00 175.35 174.58 3kn6 s VAL 444 N -4.06 0.73 -0.15 0.00 1.01 -0.45 -0.67 120.40 116.81 3kn6 s VAL 444 Ca 0.27 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 3kn6 s VAL 444 Cb 0.04 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 3kn6 s VAL 444 CO 0.07 0.27 1.60 -2.28 0.00 0.00 0.00 175.10 174.75 3kn6 s HIS 445 N 0.90 2.13 0.07 5.22 2.46 0.20 -0.95 115.29 125.31 3kn6 s HIS 445 Ca -0.11 0.47 -0.22 0.00 0.47 0.00 0.00 55.06 55.67 3kn6 s HIS 445 Cb -0.15 -3.90 -0.08 0.00 -0.13 0.00 0.00 32.58 28.32 3kn6 s HIS 445 CO 0.01 -3.14 1.35 0.87 -2.47 0.00 0.00 174.74 171.36 3kn6 h LYS 446 N 10.06 -0.38 -0.20 2.88 1.57 -1.50 1.17 116.57 130.17 3kn6 h LYS 446 Ca -0.35 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3kn6 h LYS 446 Cb 1.16 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 3kn6 h LYS 446 CO 0.98 -0.25 0.11 -0.22 -0.57 0.00 0.00 179.45 179.50 3kn6 h LYS 447 N -0.39 0.22 0.11 3.15 1.63 -1.92 -3.19 116.57 116.18 3kn6 h LYS 447 Ca 0.02 -0.01 -0.27 0.00 -0.85 0.00 0.00 60.65 59.54 3kn6 h LYS 447 Cb 0.44 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.03 3kn6 h LYS 447 CO -0.27 0.15 -1.19 1.03 -3.45 0.00 0.00 179.45 175.72 3kn6 h SER 448 N 0.23 0.46 0.00 4.20 0.87 -1.90 -3.47 113.55 113.94 3kn6 h SER 448 Ca 0.08 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 3kn6 h SER 448 Cb 0.01 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3kn6 h SER 448 CO -0.05 1.34 0.00 -3.20 -0.53 0.00 0.00 176.83 174.40 3kn6 n ASN 449 N -3.58 -3.64 -4.76 6.23 5.15 0.40 -5.01 115.26 110.04 3kn6 n ASN 449 Ca -0.08 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.50 3kn6 n ASN 449 Cb 0.99 -1.66 -0.04 0.00 -0.53 0.00 0.00 39.78 38.54 3kn6 n ASN 449 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3kn6 s GLN 450 N -0.78 4.53 0.07 1.20 -0.21 -1.25 -4.75 119.66 118.48 3kn6 s GLN 450 Ca 0.00 1.82 -0.19 0.00 0.02 0.00 0.00 55.36 57.01 3kn6 s GLN 450 Cb 0.00 -3.08 -0.07 0.00 1.00 0.00 0.00 33.01 30.86 3kn6 s GLN 450 CO 0.00 0.11 0.57 0.00 -2.12 0.00 0.00 175.29 173.84 3kn6 s ALA 451 N -1.22 3.59 0.37 6.09 0.00 -1.26 -0.63 121.76 128.69 3kn6 s ALA 451 Ca 0.47 0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.52 3kn6 s ALA 451 Cb -0.32 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 3kn6 s ALA 451 CO 0.41 0.40 0.22 -0.06 0.00 0.00 0.00 175.76 176.72 3kn6 s PHE 452 N -1.12 1.76 0.09 0.00 0.08 0.15 -4.52 117.98 114.43 3kn6 s PHE 452 Ca 0.29 -1.51 0.08 0.00 0.12 0.00 0.00 56.93 55.91 3kn6 s PHE 452 Cb -0.19 -0.91 -0.04 0.00 -0.57 0.00 0.00 43.02 41.31 3kn6 s PHE 452 CO 0.19 -0.63 -0.17 0.00 -0.10 0.00 0.00 175.22 174.51 3kn6 s ALA 453 N -3.33 2.70 -0.05 5.36 0.00 -0.57 -1.08 121.76 124.79 3kn6 s ALA 453 Ca 0.33 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 51.03 3kn6 s ALA 453 Cb 0.02 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.43 3kn6 s ALA 453 CO 0.22 0.59 -0.13 0.54 0.00 0.00 0.00 175.76 176.98 3kn6 s VAL 454 N -1.08 1.12 -0.30 0.00 0.11 0.68 0.34 120.40 121.26 3kn6 s VAL 454 Ca 0.17 -0.52 -0.13 0.00 -2.93 0.00 0.00 61.98 58.57 3kn6 s VAL 454 Cb -0.11 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 3kn6 s VAL 454 CO 0.09 0.34 0.29 -0.75 -3.33 0.00 0.00 175.10 171.74 3kn6 s LYS 455 N 0.33 3.82 -0.27 1.54 2.20 -0.02 -1.14 119.74 126.19 3kn6 s LYS 455 Ca -0.08 -0.29 -0.08 0.00 -0.36 0.00 0.00 55.97 55.17 3kn6 s LYS 455 Cb -0.12 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 3kn6 s LYS 455 CO 0.02 -0.32 0.09 0.42 -0.36 0.00 0.00 175.35 175.19 3kn6 s ILE 456 N 1.90 4.28 -0.08 5.43 1.01 0.35 -0.83 121.20 133.26 3kn6 s ILE 456 Ca 0.10 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.45 3kn6 s ILE 456 Cb -0.16 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.24 3kn6 s ILE 456 CO 0.11 0.24 -0.17 -0.63 0.00 0.00 0.00 174.94 174.49 3kn6 s ILE 457 N 1.59 1.53 0.40 2.92 1.01 -0.28 -1.45 121.20 126.92 3kn6 s ILE 457 Ca 0.05 -0.70 -0.27 0.00 0.00 0.00 0.00 60.65 59.73 3kn6 s ILE 457 Cb -0.16 -1.36 -0.10 0.00 0.01 0.00 0.00 42.46 40.85 3kn6 s ILE 457 CO 0.04 0.44 1.46 -0.24 0.00 0.00 0.00 174.94 176.64 3kn6 n SER 458 N 3.77 3.61 0.06 3.58 2.88 -0.06 -0.54 113.62 126.91 3kn6 n SER 458 Ca -0.21 1.19 0.05 0.00 -1.33 0.00 0.00 58.87 58.57 3kn6 n SER 458 Cb 0.52 -1.61 0.23 0.00 -0.75 0.00 0.00 64.21 62.60 3kn6 n SER 458 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3kn6 n LYS 459 N 0.25 0.05 0.24 -1.46 4.76 -0.45 -1.09 118.16 120.47 3kn6 n LYS 459 Ca 0.03 0.51 0.07 0.00 -2.87 0.00 0.00 58.31 56.05 3kn6 n LYS 459 Cb 0.39 -1.66 0.58 0.00 -1.84 0.00 0.00 35.03 32.51 3kn6 n LYS 459 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kn6 h ARG 460 N 0.00 0.00 -0.63 1.97 2.47 -1.89 -2.12 114.38 114.18 3kn6 h ARG 460 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kn6 h ARG 460 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3kn6 h ARG 460 CO 0.00 0.09 0.00 -1.33 0.56 0.00 0.00 179.97 179.29 3kn6 n MET 461 N -4.40 4.11 -0.35 0.04 2.81 -0.25 -4.71 117.12 114.36 3kn6 n MET 461 Ca -0.03 -2.86 0.10 0.00 -1.81 0.00 0.00 57.70 53.10 3kn6 n MET 461 Cb 0.17 -2.03 0.28 0.00 -0.71 0.00 0.00 33.22 30.93 3kn6 n MET 461 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3kn6 h GLU 462 N 3.88 0.86 -0.56 0.03 4.57 -1.50 -0.03 114.58 121.84 3kn6 h GLU 462 Ca 0.00 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 3kn6 h GLU 462 Cb 1.63 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 30.00 3kn6 h GLU 462 CO 0.33 0.57 0.06 0.00 -1.18 0.00 0.00 179.01 178.79 3kn6 h ALA 463 N 1.58 1.05 -0.34 2.92 0.00 -1.85 -0.64 119.26 121.98 3kn6 h ALA 463 Ca 0.53 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 3kn6 h ALA 463 Cb 0.67 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kn6 h ALA 463 CO -0.30 0.61 -0.40 -0.97 0.00 0.00 0.00 179.25 178.18 3kn6 h ASN 464 N 0.86 0.89 0.52 0.00 -1.24 -1.43 -2.91 115.58 112.28 3kn6 h ASN 464 Ca 0.17 -0.41 -0.13 0.00 0.71 0.00 0.00 56.30 56.64 3kn6 h ASN 464 Cb 0.43 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 3kn6 h ASN 464 CO 0.01 1.18 -0.60 0.71 -1.29 0.00 0.00 177.43 177.44 3kn6 h THR 465 N 0.68 1.42 -0.57 -3.57 1.35 -0.90 -0.53 112.91 110.78 3kn6 h THR 465 Ca 0.05 -2.04 0.04 0.00 -0.55 0.00 0.00 66.41 63.91 3kn6 h THR 465 Cb 0.98 2.08 -0.04 0.00 -1.73 0.00 0.00 68.15 69.43 3kn6 h THR 465 CO 0.09 0.59 0.32 1.56 -0.25 0.00 0.00 175.52 177.83 3kn6 h GLN 466 N 0.06 0.60 -0.14 4.72 4.20 -1.09 0.76 115.11 124.22 3kn6 h GLN 466 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3kn6 h GLN 466 Cb 1.08 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 3kn6 h GLN 466 CO 0.08 0.39 0.09 -0.22 -0.67 0.00 0.00 178.83 178.50 3kn6 h LYS 467 N 0.61 0.18 -0.62 1.46 3.11 -1.24 -1.86 116.57 118.22 3kn6 h LYS 467 Ca 0.24 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 58.09 3kn6 h LYS 467 Cb 0.11 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.26 3kn6 h LYS 467 CO -0.14 0.15 0.39 1.49 -2.81 0.00 0.00 179.45 178.53 3kn6 h GLU 468 N 0.16 0.75 -0.39 1.90 4.81 -0.71 -0.28 114.58 120.83 3kn6 h GLU 468 Ca 0.05 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3kn6 h GLU 468 Cb 0.01 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3kn6 h GLU 468 CO -0.01 0.50 0.12 0.82 -0.73 0.00 0.00 179.01 179.71 3kn6 h ILE 469 N 0.77 1.21 -0.56 2.32 2.04 -0.78 -1.70 117.51 120.82 3kn6 h ILE 469 Ca 0.25 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 3kn6 h ILE 469 Cb 0.00 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3kn6 h ILE 469 CO -0.09 0.24 0.34 0.74 0.00 0.00 0.00 178.15 179.38 3kn6 h THR 470 N 0.48 1.17 -0.34 -0.27 2.02 -1.04 -1.58 112.91 113.34 3kn6 h THR 470 Ca 0.13 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 66.96 3kn6 h THR 470 Cb 0.25 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3kn6 h THR 470 CO -0.00 0.17 0.17 0.00 0.37 0.00 0.00 175.52 176.23 3kn6 h ALA 471 N 1.17 0.41 -0.61 6.16 0.00 -0.88 0.84 119.26 126.36 3kn6 h ALA 471 Ca 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kn6 h ALA 471 Cb -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3kn6 h ALA 471 CO -0.04 -0.20 0.36 -0.07 0.00 0.00 0.00 179.25 179.31 3kn6 h LEU 472 N 0.36 0.73 -0.53 0.00 3.38 -1.11 -2.67 115.31 115.47 3kn6 h LEU 472 Ca 0.14 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 3kn6 h LEU 472 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3kn6 h LEU 472 CO -0.09 0.58 -0.71 0.11 0.09 0.00 0.00 178.44 178.42 3kn6 h LYS 473 N 0.82 0.17 -0.46 1.13 1.57 -0.90 -2.64 116.57 116.26 3kn6 h LYS 473 Ca 0.22 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3kn6 h LYS 473 Cb -0.01 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3kn6 h LYS 473 CO -0.04 0.81 0.17 -0.07 -0.57 0.00 0.00 179.45 179.74 3kn6 h LEU 474 N 0.11 0.60 -0.30 2.94 3.38 -0.63 -2.70 115.31 118.72 3kn6 h LEU 474 Ca -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kn6 h LEU 474 Cb 1.26 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3kn6 h LEU 474 CO 0.11 0.56 -0.23 0.00 0.09 0.00 0.00 178.44 178.97 3kn6 n GLU 476 N -0.93 1.38 0.00 0.00 2.13 -1.01 -3.31 120.64 118.89 3kn6 n GLU 476 Ca 0.12 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.42 3kn6 n GLU 476 Cb 0.32 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.14 3kn6 n GLU 476 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kn6 n GLY 477 N 1.35 2.47 3.71 8.31 0.00 -1.26 -5.07 105.19 114.71 3kn6 n GLY 477 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3kn6 n GLY 477 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kn6 s HIS 478 N -2.39 3.24 -0.46 1.61 5.65 -1.21 -4.89 115.29 116.84 3kn6 s HIS 478 Ca 0.00 1.04 0.19 0.00 0.25 0.00 0.00 55.06 56.54 3kn6 s HIS 478 Cb 0.00 -3.60 0.92 0.00 -1.18 0.00 0.00 32.58 28.72 3kn6 s HIS 478 CO 0.00 -2.06 1.58 -0.35 -0.65 0.00 0.00 174.74 173.26 3kn6 n PRO 479 N 4.18 0.13 -0.46 2.88 -0.04 -1.26 -2.38 135.00 138.05 3kn6 n PRO 479 Ca 0.11 0.52 0.06 0.00 -0.04 0.00 0.00 63.50 64.15 3kn6 n PRO 479 Cb 0.44 -1.84 0.22 0.00 -0.04 0.00 0.00 33.50 32.28 3kn6 n PRO 479 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kn6 n ASN 480 N -2.10 3.25 -4.11 3.54 4.13 -1.26 -4.87 115.26 113.85 3kn6 n ASN 480 Ca 0.00 -3.21 -0.26 0.00 1.68 0.00 0.00 54.58 52.79 3kn6 n ASN 480 Cb 0.10 -0.54 -0.16 0.00 -1.54 0.00 0.00 39.78 37.64 3kn6 n ASN 480 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kn6 s ILE 481 N -2.94 1.41 0.35 2.41 1.01 -1.00 -1.58 121.20 120.86 3kn6 s ILE 481 Ca 0.41 -0.68 -0.27 0.00 0.00 0.00 0.00 60.65 60.11 3kn6 s ILE 481 Cb 0.35 -1.23 -0.12 0.00 0.01 0.00 0.00 42.46 41.47 3kn6 s ILE 481 CO 0.05 0.41 1.22 0.55 0.00 0.00 0.00 174.94 177.17 3kn6 n VAL 482 N 3.37 2.12 -3.27 2.92 3.14 -0.69 -4.82 118.33 121.11 3kn6 n VAL 482 Ca -0.19 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.30 3kn6 n VAL 482 Cb 0.53 -1.44 -0.06 0.00 -1.06 0.00 0.00 33.84 31.81 3kn6 n VAL 482 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3kn6 s LYS 483 N -1.89 4.35 -0.41 1.45 2.47 -1.26 -5.00 119.74 119.45 3kn6 s LYS 483 Ca 0.57 0.52 -0.21 0.00 -1.56 0.00 0.00 55.97 55.30 3kn6 s LYS 483 Cb -0.58 -3.43 0.02 0.00 -1.46 0.00 0.00 37.83 32.38 3kn6 s LYS 483 CO 0.61 0.16 0.64 -1.17 0.16 0.00 0.00 175.35 175.75 3kn6 s LEU 484 N 0.59 4.39 -0.12 5.43 2.96 -1.26 -2.37 118.68 128.30 3kn6 s LEU 484 Ca 0.28 -0.15 -0.10 0.00 -0.22 0.00 0.00 54.13 53.94 3kn6 s LEU 484 Cb -0.16 -2.76 -0.09 0.00 0.50 0.00 0.00 46.19 43.69 3kn6 s LEU 484 CO 0.12 -0.71 0.24 -0.74 -1.32 0.00 0.00 176.35 173.93 3kn6 h HIS 485 N 8.72 0.00 -4.07 5.38 -0.00 -0.77 -3.49 115.15 120.93 3kn6 h HIS 485 Ca -0.26 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 59.99 3kn6 h HIS 485 Cb 1.10 0.00 -0.16 0.00 -0.00 0.00 0.00 27.41 28.35 3kn6 h HIS 485 CO 0.74 0.36 -0.61 -1.21 -0.00 0.00 0.00 177.93 177.21 3kn6 s GLU 486 N -1.82 0.60 -0.07 5.26 2.02 -1.05 -5.00 118.70 118.64 3kn6 s GLU 486 Ca -0.08 -1.02 0.03 0.00 0.02 0.00 0.00 54.97 53.93 3kn6 s GLU 486 Cb -0.01 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.45 3kn6 s GLU 486 CO 0.25 -0.13 -0.17 0.08 0.02 0.00 0.00 175.26 175.31 3kn6 s VAL 487 N -3.35 1.49 0.22 2.63 1.01 -1.26 -0.54 120.40 120.60 3kn6 s VAL 487 Ca 0.02 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.38 3kn6 s VAL 487 Cb 0.04 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 3kn6 s VAL 487 CO -0.08 0.43 -0.16 -0.36 0.00 0.00 0.00 175.10 174.93 3kn6 s PHE 488 N 0.40 1.86 -0.02 5.22 0.08 -0.32 -4.98 117.98 120.23 3kn6 s PHE 488 Ca -0.13 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.42 3kn6 s PHE 488 Cb -0.15 -0.85 0.01 0.00 -0.57 0.00 0.00 43.02 41.46 3kn6 s PHE 488 CO 0.05 0.45 -0.04 -1.01 -0.10 0.00 0.00 175.22 174.57 3kn6 s HIS 489 N -2.85 0.49 0.42 0.36 3.76 -1.26 -0.79 115.29 115.42 3kn6 s HIS 489 Ca 0.24 -0.09 0.04 0.00 -0.15 0.00 0.00 55.06 55.10 3kn6 s HIS 489 Cb -0.02 -0.39 -0.02 0.00 1.11 0.00 0.00 32.58 33.26 3kn6 s HIS 489 CO 0.09 -0.07 0.16 0.16 -0.85 0.00 0.00 174.74 174.23 3kn6 s ASP 490 N 0.30 2.78 0.53 1.40 3.84 -0.75 -4.51 116.67 120.25 3kn6 s ASP 490 Ca -0.03 -1.73 0.23 0.00 -0.00 0.00 0.00 52.55 51.02 3kn6 s ASP 490 Cb -0.07 0.59 1.45 0.00 -1.38 0.00 0.00 42.92 43.51 3kn6 s ASP 490 CO -0.00 -0.99 2.13 1.56 -0.00 0.00 0.00 175.17 177.86 3kn6 h GLN 491 N 1.77 0.00 0.01 2.11 4.20 -2.02 -3.20 115.11 117.98 3kn6 h GLN 491 Ca -0.33 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.01 3kn6 h GLN 491 Cb 1.27 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.99 3kn6 h GLN 491 CO 0.52 0.08 -2.31 1.28 -0.67 0.00 0.00 178.83 177.73 3kn6 n LEU 492 N -4.00 1.38 -4.18 1.46 4.77 -1.26 -4.82 117.00 110.35 3kn6 n LEU 492 Ca -0.03 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 3kn6 n LEU 492 Cb 0.17 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 3kn6 n LEU 492 CO 0.31 0.67 -0.41 -1.00 -1.33 0.00 0.00 177.39 175.64 3kn6 s HIS 493 N -2.52 1.04 -0.13 -1.77 3.76 -1.21 -1.34 115.29 113.13 3kn6 s HIS 493 Ca -0.19 -0.74 -0.02 0.00 -0.15 0.00 0.00 55.06 53.96 3kn6 s HIS 493 Cb 0.07 -0.57 -0.03 0.00 1.11 0.00 0.00 32.58 33.17 3kn6 s HIS 493 CO 0.74 -0.03 -0.07 0.99 -0.85 0.00 0.00 174.74 175.53 3kn6 s THR 494 N -2.89 3.65 -0.20 1.30 2.01 0.30 -1.81 115.64 118.00 3kn6 s THR 494 Ca 0.09 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 3kn6 s THR 494 Cb 0.00 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 3kn6 s THR 494 CO -0.01 0.53 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.06 3kn6 s PHE 495 N 0.03 2.99 -0.39 4.92 0.08 0.03 -1.13 117.98 124.51 3kn6 s PHE 495 Ca -0.01 -0.66 -0.06 0.00 0.12 0.00 0.00 56.93 56.32 3kn6 s PHE 495 Cb -0.14 -2.07 0.08 0.00 -0.57 0.00 0.00 43.02 40.32 3kn6 s PHE 495 CO 0.03 -0.36 0.19 -0.51 -0.10 0.00 0.00 175.22 174.48 3kn6 s LEU 496 N 1.13 4.94 -0.34 -0.37 1.02 -0.01 -1.18 118.68 123.87 3kn6 s LEU 496 Ca 0.02 -1.59 -0.26 0.00 0.02 0.00 0.00 54.13 52.32 3kn6 s LEU 496 Cb -0.15 -1.89 0.01 0.00 0.02 0.00 0.00 46.19 44.18 3kn6 s LEU 496 CO 0.00 -0.48 0.93 -0.69 0.02 0.00 0.00 176.35 176.13 3kn6 s VAL 497 N 1.32 4.62 0.30 -1.59 1.01 0.30 -0.84 120.40 125.52 3kn6 s VAL 497 Ca 0.03 1.32 0.08 0.00 0.00 0.00 0.00 61.98 63.42 3kn6 s VAL 497 Cb -0.22 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 3kn6 s VAL 497 CO -0.00 -0.45 0.10 -0.04 0.00 0.00 0.00 175.10 174.71 3kn6 s MET 498 N 3.39 2.44 0.45 2.72 1.00 0.15 -0.01 119.30 129.45 3kn6 s MET 498 Ca 0.39 -1.42 -0.24 0.00 0.00 0.00 0.00 55.69 54.42 3kn6 s MET 498 Cb -0.13 -2.24 -0.07 0.00 0.00 0.00 0.00 34.83 32.39 3kn6 s MET 498 CO 0.16 0.24 1.25 -1.83 0.00 0.00 0.00 175.02 174.84 3kn6 s GLU 499 N -3.79 3.75 -0.22 2.03 -1.05 -1.00 -1.52 118.70 116.91 3kn6 s GLU 499 Ca 0.35 1.99 -0.28 0.00 -0.15 0.00 0.00 54.97 56.88 3kn6 s GLU 499 Cb -0.05 -2.53 0.01 0.00 -0.44 0.00 0.00 34.13 31.12 3kn6 s GLU 499 CO 0.22 -0.62 1.01 -1.17 0.95 0.00 0.00 175.26 175.64 3kn6 s LEU 500 N -2.86 4.12 -0.28 1.83 0.20 -1.26 -4.43 118.68 116.00 3kn6 s LEU 500 Ca 0.62 1.35 -0.09 0.00 0.69 0.00 0.00 54.13 56.70 3kn6 s LEU 500 Cb -0.34 -3.49 -0.02 0.00 -0.43 0.00 0.00 46.19 41.91 3kn6 s LEU 500 CO 0.42 -0.62 0.13 -0.76 -0.29 0.00 0.00 176.35 175.23 3kn6 s LEU 501 N 2.99 3.84 0.00 -0.68 1.43 -1.26 -4.91 118.68 120.10 3kn6 s LEU 501 Ca 0.43 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.27 3kn6 s LEU 501 Cb -0.15 -1.99 0.11 0.00 0.03 0.00 0.00 46.19 44.19 3kn6 s LEU 501 CO 0.08 -0.12 0.89 0.59 0.23 0.00 0.00 176.35 178.02 3kn6 n ASN 502 N 4.97 1.98 -0.13 2.29 4.13 0.36 -4.63 115.26 124.24 3kn6 n ASN 502 Ca -0.15 -1.56 0.14 0.00 1.68 0.00 0.00 54.58 54.70 3kn6 n ASN 502 Cb 0.50 -0.06 0.58 0.00 -1.54 0.00 0.00 39.78 39.27 3kn6 n ASN 502 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kn6 n GLY 503 N 0.34 -0.92 0.00 7.41 0.00 0.11 -4.70 105.19 107.44 3kn6 n GLY 503 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3kn6 n GLY 503 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kn6 n GLY 504 N 1.29 0.06 3.80 -0.02 0.00 -1.25 -4.61 105.19 104.46 3kn6 n GLY 504 Ca 0.14 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 3kn6 n GLY 504 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kn6 s GLU 505 N -1.90 3.49 0.16 1.61 2.02 -1.26 -1.24 118.70 121.58 3kn6 s GLU 505 Ca 0.00 1.31 -0.27 0.00 0.02 0.00 0.00 54.97 56.03 3kn6 s GLU 505 Cb 0.00 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.18 3kn6 s GLU 505 CO 0.00 -0.68 1.57 1.25 0.02 0.00 0.00 175.26 177.42 3kn6 h LEU 506 N 0.93 -1.51 -1.29 1.80 5.85 -1.02 -1.17 115.31 118.90 3kn6 h LEU 506 Ca -0.48 0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 3kn6 h LEU 506 Cb 1.23 0.66 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 3kn6 h LEU 506 CO 0.58 -0.36 -0.22 -0.26 -0.34 0.00 0.00 178.44 177.84 3kn6 h PHE 507 N -0.29 0.00 -0.45 1.25 0.04 -1.86 -2.15 116.94 113.48 3kn6 h PHE 507 Ca 0.15 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.82 3kn6 h PHE 507 Cb 0.58 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 3kn6 h PHE 507 CO -0.67 0.22 -0.13 0.93 -0.60 0.00 0.00 178.31 178.06 3kn6 h GLU 508 N 0.00 0.83 -0.21 1.51 4.39 -1.62 -1.09 114.58 118.40 3kn6 h GLU 508 Ca -0.00 -0.29 -0.06 0.00 0.34 0.00 0.00 59.36 59.35 3kn6 h GLU 508 Cb 0.67 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3kn6 h GLU 508 CO 0.03 0.91 -0.10 0.00 -1.16 0.00 0.00 179.01 178.70 3kn6 h ARG 509 N 0.74 0.43 -0.74 2.33 2.47 -0.76 -3.13 114.38 115.71 3kn6 h ARG 509 Ca 0.12 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 3kn6 h ARG 509 Cb 0.64 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.91 3kn6 h ARG 509 CO 0.04 0.71 0.38 0.82 0.56 0.00 0.00 179.97 182.49 3kn6 h ILE 510 N 0.13 1.23 -0.77 2.04 2.04 -1.36 -0.88 117.51 119.93 3kn6 h ILE 510 Ca 0.05 -0.60 0.17 0.00 1.00 0.00 0.00 64.86 65.48 3kn6 h ILE 510 Cb 0.58 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 3kn6 h ILE 510 CO 0.03 0.26 0.52 0.50 0.00 0.00 0.00 178.15 179.46 3kn6 h LYS 511 N 1.04 0.32 -0.00 2.37 3.64 -1.16 -2.82 116.57 119.96 3kn6 h LYS 511 Ca 0.26 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3kn6 h LYS 511 Cb 0.06 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3kn6 h LYS 511 CO -0.04 0.21 -0.53 1.63 -2.27 0.00 0.00 179.45 178.46 3kn6 n LYS 512 N -4.46 0.30 -3.38 1.90 5.02 -0.35 -4.73 118.16 112.46 3kn6 n LYS 512 Ca 0.15 -0.20 -0.34 0.00 -2.02 0.00 0.00 58.31 55.90 3kn6 n LYS 512 Cb 0.61 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 3kn6 n LYS 512 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3kn6 s LYS 513 N -2.84 3.90 0.00 1.97 -2.85 -1.06 -4.97 119.74 113.89 3kn6 s LYS 513 Ca 0.14 0.40 0.25 0.00 -1.00 0.00 0.00 55.97 55.76 3kn6 s LYS 513 Cb 0.18 -2.80 0.35 0.00 -2.06 0.00 0.00 37.83 33.50 3kn6 s LYS 513 CO 0.68 0.41 1.35 1.17 0.10 0.00 0.00 175.35 179.05 3kn6 n LYS 514 N 0.39 2.17 -3.42 1.78 4.81 -1.26 -4.74 118.16 117.88 3kn6 n LYS 514 Ca -0.03 -1.71 -0.14 0.00 -0.87 0.00 0.00 58.31 55.56 3kn6 n LYS 514 Cb 0.52 -1.46 -0.10 0.00 0.02 0.00 0.00 35.03 34.00 3kn6 n LYS 514 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 3kn6 s HIS 515 N -2.01 -0.55 -0.14 5.64 2.46 -1.26 -5.05 115.29 114.38 3kn6 s HIS 515 Ca 0.30 0.51 -0.01 0.00 0.47 0.00 0.00 55.06 56.33 3kn6 s HIS 515 Cb 0.20 -0.18 0.04 0.00 -0.13 0.00 0.00 32.58 32.51 3kn6 s HIS 515 CO 0.31 -0.66 -0.03 0.12 -2.47 0.00 0.00 174.74 172.01 3kn6 s PHE 516 N 2.43 1.30 0.48 3.88 5.36 -1.26 -5.03 117.98 125.14 3kn6 s PHE 516 Ca 0.10 -0.76 0.03 0.00 -0.96 0.00 0.00 56.93 55.33 3kn6 s PHE 516 Cb -0.16 -1.13 -0.03 0.00 -0.34 0.00 0.00 43.02 41.37 3kn6 s PHE 516 CO -0.14 -0.53 0.02 -1.54 -1.46 0.00 0.00 175.22 171.57 3kn6 s SER 517 N 1.77 4.09 0.49 6.13 1.04 -1.26 0.36 113.70 126.32 3kn6 s SER 517 Ca 0.02 -1.55 0.16 0.00 0.48 0.00 0.00 55.95 55.06 3kn6 s SER 517 Cb -0.14 0.24 1.17 0.00 0.10 0.00 0.00 66.02 67.39 3kn6 s SER 517 CO -0.07 -0.75 2.08 -0.33 0.98 0.00 0.00 173.24 175.15 3kn6 h GLU 518 N 1.44 0.00 -0.40 4.02 5.08 -1.74 -1.05 114.58 121.94 3kn6 h GLU 518 Ca -0.44 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.80 3kn6 h GLU 518 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3kn6 h GLU 518 CO 0.75 0.09 -0.24 1.79 -1.00 0.00 0.00 179.01 180.40 3kn6 h THR 519 N 0.00 1.27 -0.26 1.13 1.35 -1.85 0.79 112.91 115.34 3kn6 h THR 519 Ca -0.00 -1.37 -0.08 0.00 -0.55 0.00 0.00 66.41 64.41 3kn6 h THR 519 Cb 0.16 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 3kn6 h THR 519 CO 0.01 0.46 -0.14 -0.33 -0.25 0.00 0.00 175.52 175.27 3kn6 h GLU 520 N 0.70 0.55 -0.81 4.72 5.08 -1.72 -2.08 114.58 121.01 3kn6 h GLU 520 Ca 0.09 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3kn6 h GLU 520 Cb 0.77 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 3kn6 h GLU 520 CO 0.06 0.81 0.45 0.00 -1.00 0.00 0.00 179.01 179.33 3kn6 h ALA 521 N 0.72 1.04 -0.41 3.43 0.00 -1.11 -1.96 119.26 120.97 3kn6 h ALA 521 Ca 0.06 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3kn6 h ALA 521 Cb 0.65 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kn6 h ALA 521 CO 0.04 0.55 -0.17 1.03 0.00 0.00 0.00 179.25 180.70 3kn6 h SER 522 N 1.13 0.77 -0.78 0.00 0.87 -0.83 0.83 113.55 115.54 3kn6 h SER 522 Ca 0.29 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3kn6 h SER 522 Cb 0.02 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 3kn6 h SER 522 CO -0.05 0.94 0.45 0.22 -0.53 0.00 0.00 176.83 177.86 3kn6 h TYR 523 N 0.68 1.05 -0.12 2.24 3.20 -1.03 0.13 116.97 123.11 3kn6 h TYR 523 Ca 0.10 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3kn6 h TYR 523 Cb 0.66 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 3kn6 h TYR 523 CO 0.03 0.72 -0.09 0.82 -1.64 0.00 0.00 178.16 178.01 3kn6 h ILE 524 N 1.07 1.34 -0.84 1.81 2.04 -1.03 -3.09 117.51 118.81 3kn6 h ILE 524 Ca 0.28 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.97 3kn6 h ILE 524 Cb -0.00 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3kn6 h ILE 524 CO -0.05 0.34 0.56 -0.03 0.00 0.00 0.00 178.15 178.97 3kn6 h MET 525 N -0.10 1.09 -0.96 2.37 4.05 -0.57 -1.62 114.93 119.19 3kn6 h MET 525 Ca 0.02 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 3kn6 h MET 525 Cb 0.58 -0.25 -0.05 0.00 -0.80 0.00 0.00 31.60 31.08 3kn6 h MET 525 CO 0.02 0.72 0.63 0.00 0.23 0.00 0.00 176.91 178.52 3kn6 h ARG 526 N 1.13 1.22 -0.44 0.39 3.08 -0.75 0.66 114.38 119.66 3kn6 h ARG 526 Ca 0.31 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 3kn6 h ARG 526 Cb -0.12 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.64 3kn6 h ARG 526 CO -0.07 0.81 0.01 0.87 -1.07 0.00 0.00 179.97 180.52 3kn6 h LYS 527 N 1.26 0.77 -0.34 0.04 1.57 -1.24 -1.19 116.57 117.46 3kn6 h LYS 527 Ca 0.37 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3kn6 h LYS 527 Cb -0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3kn6 h LYS 527 CO -0.10 0.83 0.07 -0.07 -0.57 0.00 0.00 179.45 179.62 3kn6 h LEU 528 N 0.62 0.52 -0.41 2.94 3.38 -1.01 -1.32 115.31 120.03 3kn6 h LEU 528 Ca 0.13 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3kn6 h LEU 528 Cb 0.48 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3kn6 h LEU 528 CO 0.02 0.63 0.27 0.58 0.09 0.00 0.00 178.44 180.03 3kn6 h VAL 529 N 0.39 1.10 -0.69 1.22 2.07 -0.83 0.22 116.25 119.73 3kn6 h VAL 529 Ca 0.10 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3kn6 h VAL 529 Cb 0.32 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3kn6 h VAL 529 CO 0.00 0.10 0.44 -1.28 0.02 0.00 0.00 177.57 176.85 3kn6 h SER 530 N 0.55 0.82 -0.20 0.57 0.87 -1.15 0.87 113.55 115.88 3kn6 h SER 530 Ca 0.15 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3kn6 h SER 530 Cb -0.06 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3kn6 h SER 530 CO -0.04 0.62 0.11 0.00 -0.53 0.00 0.00 176.83 176.99 3kn6 h ALA 531 N 1.23 0.26 -0.70 6.23 0.00 -0.90 -1.62 119.26 123.76 3kn6 h ALA 531 Ca 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3kn6 h ALA 531 Cb -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3kn6 h ALA 531 CO -0.05 -0.19 0.28 0.28 0.00 0.00 0.00 179.25 179.57 3kn6 h VAL 532 N 0.21 1.25 -0.83 0.00 2.07 -0.61 -1.52 116.25 116.81 3kn6 h VAL 532 Ca 0.07 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3kn6 h VAL 532 Cb 0.09 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3kn6 h VAL 532 CO -0.01 0.31 0.39 -1.28 0.02 0.00 0.00 177.57 177.00 3kn6 h SER 533 N 1.00 1.10 -0.15 0.57 0.87 -0.67 -1.81 113.55 114.46 3kn6 h SER 533 Ca 0.23 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3kn6 h SER 533 Cb 0.21 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3kn6 h SER 533 CO -0.02 0.93 0.08 -0.74 -0.53 0.00 0.00 176.83 176.55 3kn6 h HIS 534 N 1.19 0.20 -0.28 2.24 6.17 -0.92 -0.95 115.15 122.80 3kn6 h HIS 534 Ca 0.28 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.42 3kn6 h HIS 534 Cb 0.13 -0.06 -0.07 0.00 2.52 0.00 0.00 27.41 29.93 3kn6 h HIS 534 CO 0.02 0.19 -0.16 0.52 0.71 0.00 0.00 177.93 179.20 3kn6 h MET 535 N 0.14 -0.13 -0.49 5.26 2.07 -0.99 -1.59 114.93 119.21 3kn6 h MET 535 Ca 0.05 0.01 -0.05 0.00 -2.07 0.00 0.00 59.70 57.64 3kn6 h MET 535 Cb 0.06 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.79 3kn6 h MET 535 CO -0.01 -0.09 0.11 0.45 1.07 0.00 0.00 176.91 178.45 3kn6 h HIS 536 N -0.14 0.77 0.00 -0.22 3.86 -1.16 0.18 115.15 118.44 3kn6 h HIS 536 Ca 0.15 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 3kn6 h HIS 536 Cb 0.36 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 3kn6 h HIS 536 CO -0.35 0.65 -0.26 0.22 0.86 0.00 0.00 177.93 179.05 3kn6 h ASP 537 N 0.72 0.00 -0.65 2.45 3.58 -0.38 -2.35 116.42 119.80 3kn6 h ASP 537 Ca 0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 3kn6 h ASP 537 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 3kn6 h ASP 537 CO -0.00 0.26 0.00 1.33 -2.88 0.00 0.00 179.24 177.95 3kn6 n VAL 538 N -3.86 1.40 -1.78 2.25 0.24 -0.67 -4.96 118.33 110.94 3kn6 n VAL 538 Ca -0.02 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 3kn6 n VAL 538 Cb 0.35 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 3kn6 n VAL 538 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kn6 n GLY 539 N 1.26 0.77 3.06 7.63 0.00 -0.86 -4.94 105.19 112.11 3kn6 n GLY 539 Ca 0.24 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 3kn6 n GLY 539 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kn6 s VAL 540 N -2.29 1.39 -0.10 1.61 1.01 0.58 -0.90 120.40 121.71 3kn6 s VAL 540 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 3kn6 s VAL 540 Cb 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 3kn6 s VAL 540 CO 0.00 0.42 -0.03 0.68 0.00 0.00 0.00 175.10 176.16 3kn6 s VAL 541 N 0.79 3.98 -0.13 2.92 -7.23 -0.62 -2.79 120.40 117.31 3kn6 s VAL 541 Ca -0.11 -0.36 -0.25 0.00 -1.81 0.00 0.00 61.98 59.45 3kn6 s VAL 541 Cb -0.16 -2.67 -0.22 0.00 0.56 0.00 0.00 36.38 33.89 3kn6 s VAL 541 CO 0.02 0.58 0.66 -0.74 -0.31 0.00 0.00 175.10 175.30 3kn6 h HIS 542 N 5.57 -0.00 0.00 2.82 2.76 -1.92 -0.96 115.15 123.42 3kn6 h HIS 542 Ca -0.45 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 3kn6 h HIS 542 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 3kn6 h HIS 542 CO 0.58 0.85 0.00 0.54 -1.30 0.00 0.00 177.93 178.60 3kn6 n ARG 543 N -4.64 0.00 -2.76 5.26 1.74 -1.26 -3.07 116.66 111.93 3kn6 n ARG 543 Ca -0.09 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.96 3kn6 n ARG 543 Cb 0.41 -3.01 0.06 0.00 -1.02 0.00 0.00 32.46 28.90 3kn6 n ARG 543 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3kn6 n ASP 544 N 0.00 0.90 -3.25 0.55 2.03 -1.26 -5.00 116.55 110.53 3kn6 n ASP 544 Ca 0.00 -2.26 -0.32 0.00 0.52 0.00 0.00 54.79 52.73 3kn6 n ASP 544 Cb 0.00 -0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.13 3kn6 n ASP 544 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3kn6 n LEU 545 N -0.58 7.31 -4.85 -2.67 4.77 -1.26 -4.82 117.00 114.90 3kn6 n LEU 545 Ca 0.04 -3.80 -0.31 0.00 -0.03 0.00 0.00 56.01 51.90 3kn6 n LEU 545 Cb 0.82 -1.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.55 3kn6 n LEU 545 CO 0.08 1.53 0.71 -0.54 -1.33 0.00 0.00 177.39 177.85 3kn6 s LYS 546 N 2.62 3.36 0.36 3.23 1.02 -1.26 -4.85 119.74 124.22 3kn6 s LYS 546 Ca 0.58 0.87 0.12 0.00 0.02 0.00 0.00 55.97 57.57 3kn6 s LYS 546 Cb 0.15 -2.05 0.93 0.00 -0.52 0.00 0.00 37.83 36.35 3kn6 s LYS 546 CO -0.05 -0.76 1.78 -1.35 -0.92 0.00 0.00 175.35 174.06 3kn6 h PRO 547 N -0.33 0.55 0.00 -1.68 0.11 -1.95 -0.20 132.00 128.49 3kn6 h PRO 547 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kn6 h PRO 547 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kn6 h PRO 547 CO 0.60 0.36 0.00 1.05 -0.21 0.00 0.00 178.00 179.80 3kn6 h GLU 548 N 0.56 0.00 -0.53 1.05 4.11 -1.96 -2.39 114.58 115.42 3kn6 h GLU 548 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.00 3kn6 h GLU 548 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3kn6 h GLU 548 CO -0.33 0.00 0.00 0.09 0.07 0.00 0.00 179.01 178.84 3kn6 n ASN 549 N -2.38 2.89 -4.04 3.06 5.03 -0.09 -4.72 115.26 115.00 3kn6 n ASN 549 Ca 0.02 -2.10 -0.31 0.00 0.87 0.00 0.00 54.58 53.06 3kn6 n ASN 549 Cb 0.26 -0.38 -0.15 0.00 -1.02 0.00 0.00 39.78 38.49 3kn6 n ASN 549 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kn6 s LEU 550 N -1.13 4.07 0.05 3.41 1.43 -0.90 -0.87 118.68 124.74 3kn6 s LEU 550 Ca 0.34 -1.77 0.09 0.00 -1.03 0.00 0.00 54.13 51.76 3kn6 s LEU 550 Cb 0.19 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 3kn6 s LEU 550 CO 0.21 -0.28 -0.25 -0.76 0.23 0.00 0.00 176.35 175.49 3kn6 s LEU 551 N 1.01 2.26 0.38 1.79 1.02 -0.05 -0.59 118.68 124.50 3kn6 s LEU 551 Ca 0.01 -0.58 -0.18 0.00 0.02 0.00 0.00 54.13 53.40 3kn6 s LEU 551 Cb -0.19 -1.32 -0.10 0.00 0.02 0.00 0.00 46.19 44.59 3kn6 s LEU 551 CO -0.07 0.25 0.84 -0.36 0.02 0.00 0.00 176.35 177.04 3kn6 s PHE 552 N -0.85 3.34 0.04 0.29 0.08 -0.37 0.33 117.98 120.85 3kn6 s PHE 552 Ca 0.12 1.41 -0.27 0.00 0.12 0.00 0.00 56.93 58.31 3kn6 s PHE 552 Cb -0.10 -2.69 -0.17 0.00 -0.57 0.00 0.00 43.02 39.49 3kn6 s PHE 552 CO 0.03 -0.01 1.46 1.79 -0.10 0.00 0.00 175.22 178.39 3kn6 h THR 553 N 1.91 0.64 0.00 0.64 1.35 -1.71 0.36 112.91 116.11 3kn6 h THR 553 Ca -0.48 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3kn6 h THR 553 Cb 1.18 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 3kn6 h THR 553 CO 0.63 0.06 -0.17 -0.90 -0.25 0.00 0.00 175.52 174.89 3kn6 n ASP 554 N -5.24 0.27 -2.49 5.36 3.85 -1.26 0.14 116.55 117.18 3kn6 n ASP 554 Ca -0.10 0.22 -0.29 0.00 -0.71 0.00 0.00 54.79 53.90 3kn6 n ASP 554 Cb 0.25 0.05 0.01 0.00 -1.35 0.00 0.00 41.12 40.09 3kn6 n ASP 554 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 3kn6 n LEU 559 N -3.22 5.38 -4.56 -2.12 -0.00 -1.26 -4.11 117.00 107.12 3kn6 n LEU 559 Ca 0.00 -5.04 -0.35 0.00 -0.00 0.00 0.00 56.01 50.62 3kn6 n LEU 559 Cb 0.08 -0.58 -0.11 0.00 -0.00 0.00 0.00 43.42 42.82 3kn6 n LEU 559 CO 0.00 2.10 -0.28 -1.61 -0.00 0.00 0.00 177.39 177.60 3kn6 s GLU 560 N -3.66 3.82 0.25 1.96 0.41 -1.26 -5.09 118.70 115.13 3kn6 s GLU 560 Ca 0.50 -0.42 -0.27 0.00 -0.41 0.00 0.00 54.97 54.37 3kn6 s GLU 560 Cb 0.41 -3.15 -0.09 0.00 -1.78 0.00 0.00 34.13 29.52 3kn6 s GLU 560 CO -0.19 0.17 0.89 -1.50 -0.49 0.00 0.00 175.26 174.14 3kn6 s ILE 561 N 0.63 4.22 0.01 -1.63 2.07 -1.26 -1.84 121.20 123.39 3kn6 s ILE 561 Ca 0.02 1.86 0.02 0.00 -1.41 0.00 0.00 60.65 61.14 3kn6 s ILE 561 Cb -0.13 -4.14 -0.01 0.00 0.13 0.00 0.00 42.46 38.30 3kn6 s ILE 561 CO 0.02 0.36 -0.08 -0.54 -1.91 0.00 0.00 174.94 172.79 3kn6 s LYS 562 N -1.54 0.60 -0.14 3.50 1.02 0.15 -4.45 119.74 118.87 3kn6 s LYS 562 Ca 0.43 -0.37 -0.19 0.00 0.02 0.00 0.00 55.97 55.86 3kn6 s LYS 562 Cb -0.22 -0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 36.50 3kn6 s LYS 562 CO 0.27 0.14 0.53 0.42 -0.92 0.00 0.00 175.35 175.79 3kn6 s ILE 563 N -0.40 5.13 0.51 2.17 1.01 -0.62 -0.87 121.20 128.13 3kn6 s ILE 563 Ca 0.01 1.03 0.03 0.00 0.00 0.00 0.00 60.65 61.72 3kn6 s ILE 563 Cb -0.04 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3kn6 s ILE 563 CO -0.00 0.25 0.13 0.27 0.00 0.00 0.00 174.94 175.60 3kn6 s ILE 564 N 1.07 1.45 -0.39 2.92 -4.36 -0.05 -1.70 121.20 120.14 3kn6 s ILE 564 Ca 0.27 -1.83 -0.14 0.00 -0.26 0.00 0.00 60.65 58.70 3kn6 s ILE 564 Cb -0.16 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.30 3kn6 s ILE 564 CO 0.11 0.00 0.44 -0.67 0.24 0.00 0.00 174.94 175.06 3kn6 n ASP 565 N -1.39 -7.73 -1.59 4.36 -0.08 -1.26 -4.89 116.55 103.97 3kn6 n ASP 565 Ca -0.12 0.70 -0.01 0.00 -1.51 0.00 0.00 54.79 53.85 3kn6 n ASP 565 Cb 0.66 -4.94 0.24 0.00 2.34 0.00 0.00 41.12 39.42 3kn6 n ASP 565 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3kn6 n PHE 566 N 0.01 1.66 0.24 -0.67 3.01 -1.26 -4.48 117.46 115.98 3kn6 n PHE 566 Ca 0.07 -0.77 0.09 0.00 1.01 0.00 0.00 57.45 57.85 3kn6 n PHE 566 Cb 0.37 -0.49 0.62 0.00 -0.01 0.00 0.00 39.48 39.97 3kn6 n PHE 566 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3kn6 h GLY 567 N 3.66 0.00 -2.15 1.37 0.00 -1.91 -2.10 103.07 101.93 3kn6 h GLY 567 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3kn6 h GLY 567 CO 0.47 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.70 3kn6 n PHE 568 N -4.07 0.33 -0.88 5.60 3.72 -1.26 -4.88 117.46 116.03 3kn6 n PHE 568 Ca -0.02 -0.17 -0.30 0.00 -0.05 0.00 0.00 57.45 56.91 3kn6 n PHE 568 Cb 0.22 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 38.94 3kn6 n PHE 568 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kn6 s ALA 569 N -1.67 0.91 -0.00 4.37 0.00 -0.79 -4.73 121.76 119.85 3kn6 s ALA 569 Ca 0.35 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.42 3kn6 s ALA 569 Cb 0.22 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 3kn6 s ALA 569 CO 0.31 -2.91 -0.09 1.03 0.00 0.00 0.00 175.76 174.10 3kn6 s ARG 570 N -4.72 0.69 0.07 0.00 1.81 -0.36 -4.94 118.95 111.50 3kn6 s ARG 570 Ca 0.66 -0.36 -0.13 0.00 -1.72 0.00 0.00 55.73 54.18 3kn6 s ARG 570 Cb -0.21 -0.66 -0.06 0.00 -0.45 0.00 0.00 34.95 33.57 3kn6 s ARG 570 CO 0.60 0.18 0.45 -0.51 -0.68 0.00 0.00 175.30 175.33 3kn6 s LEU 571 N -0.35 4.39 0.14 2.53 1.43 -1.26 -1.60 118.68 123.96 3kn6 s LEU 571 Ca 0.02 0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 53.76 3kn6 s LEU 571 Cb -0.04 -2.94 -0.07 0.00 0.03 0.00 0.00 46.19 43.16 3kn6 s LEU 571 CO -0.00 0.20 1.26 -0.75 0.23 0.00 0.00 176.35 177.29 3kn6 s LYS 572 N -1.64 4.42 0.40 1.70 2.20 -0.08 -4.85 119.74 121.89 3kn6 s LYS 572 Ca 0.31 1.92 -0.22 0.00 -0.36 0.00 0.00 55.97 57.62 3kn6 s LYS 572 Cb -0.15 -3.26 -0.10 0.00 -1.51 0.00 0.00 37.83 32.80 3kn6 s LYS 572 CO 0.17 -0.24 0.96 -2.14 -0.36 0.00 0.00 175.35 173.74 3kn6 s PRO 573 N 0.42 4.30 0.00 4.03 0.02 -1.26 -5.04 135.00 137.46 3kn6 s PRO 573 Ca 0.58 1.21 0.10 0.00 0.02 0.00 0.00 61.00 62.90 3kn6 s PRO 573 Cb -0.33 -2.36 0.49 0.00 0.02 0.00 0.00 34.50 32.32 3kn6 s PRO 573 CO 0.33 0.02 1.18 -2.30 -0.33 0.00 0.00 177.00 175.91 3kn6 n PRO 574 N -0.31 0.15 -4.06 5.54 -0.02 -1.26 -5.22 135.00 129.81 3kn6 n PRO 574 Ca 0.06 0.18 -0.27 0.00 -2.02 0.00 0.00 63.50 61.45 3kn6 n PRO 574 Cb 0.53 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.48 3kn6 n PRO 574 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3kn6 s ASN 597 N -2.53 4.53 0.00 2.55 0.01 -1.26 -5.34 114.94 112.90 3kn6 s ASN 597 Ca 0.09 -1.29 0.00 0.00 -0.71 0.00 0.00 52.86 50.95 3kn6 s ASN 597 Cb 0.06 0.33 0.00 0.00 0.41 0.00 0.00 41.25 42.05 3kn6 s ASN 597 CO 0.14 -0.99 0.00 0.61 -1.51 0.00 0.00 177.10 175.35 3kn6 n GLY 598 N -1.62 0.73 3.55 0.66 0.00 -1.26 -5.04 105.19 102.22 3kn6 n GLY 598 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3kn6 n GLY 598 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kn6 s TYR 599 N -2.00 1.48 -0.21 1.61 5.04 -1.26 -4.88 117.35 117.12 3kn6 s TYR 599 Ca 0.00 1.09 -0.04 0.00 -2.44 0.00 0.00 57.07 55.68 3kn6 s TYR 599 Cb 0.00 -3.88 0.07 0.00 0.35 0.00 0.00 41.96 38.50 3kn6 s TYR 599 CO 0.00 -2.18 0.09 0.34 -1.34 0.00 0.00 175.55 172.46 3kn6 s ASP 600 N 9.45 2.84 0.32 4.32 -1.08 -1.26 -5.01 116.67 126.26 3kn6 s ASP 600 Ca 0.78 -0.88 0.26 0.00 -0.52 0.00 0.00 52.55 52.19 3kn6 s ASP 600 Cb -0.13 -0.37 1.05 0.00 -1.46 0.00 0.00 42.92 42.01 3kn6 s ASP 600 CO 0.17 -0.37 1.78 -0.33 0.52 0.00 0.00 175.17 176.94 3kn6 h GLU 601 N 8.36 0.00 0.00 4.34 5.08 -1.99 -2.81 114.58 127.57 3kn6 h GLU 601 Ca -0.16 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 3kn6 h GLU 601 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3kn6 h GLU 601 CO 0.35 0.00 -0.24 0.66 -1.00 0.00 0.00 179.01 178.78 3kn6 h SER 602 N 0.00 0.00 -0.39 1.42 4.64 -1.99 -3.13 113.55 114.10 3kn6 h SER 602 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3kn6 h SER 602 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 3kn6 h SER 602 CO 0.00 0.24 0.20 0.00 -0.87 0.00 0.00 176.83 176.40 3kn6 h ASP 604 N 0.42 0.33 -0.39 0.00 3.32 -1.74 -2.24 116.42 116.11 3kn6 h ASP 604 Ca 0.16 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3kn6 h ASP 604 Cb 0.05 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3kn6 h ASP 604 CO -0.10 0.78 0.05 -0.07 -1.72 0.00 0.00 179.24 178.19 3kn6 h LEU 605 N 0.24 0.63 -0.52 1.55 3.38 -1.51 -2.09 115.31 116.99 3kn6 h LEU 605 Ca 0.01 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3kn6 h LEU 605 Cb 0.99 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3kn6 h LEU 605 CO 0.08 0.74 0.32 -0.25 0.09 0.00 0.00 178.44 179.43 3kn6 h TRP 606 N 0.50 0.67 -0.97 1.13 7.01 -1.19 -2.32 115.95 120.77 3kn6 h TRP 606 Ca 0.12 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.15 3kn6 h TRP 606 Cb 0.39 -0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 27.17 3kn6 h TRP 606 CO 0.03 0.45 0.64 0.77 -2.79 0.00 0.00 178.44 177.53 3kn6 h SER 607 N 0.69 1.07 -0.54 2.65 0.02 -1.32 -1.88 113.55 114.24 3kn6 h SER 607 Ca 0.19 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3kn6 h SER 607 Cb -0.04 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.22 3kn6 h SER 607 CO -0.04 0.75 0.26 -0.07 -1.14 0.00 0.00 176.83 176.59 3kn6 h LEU 608 N 1.25 0.74 -0.56 5.07 3.38 -0.92 -1.44 115.31 122.83 3kn6 h LEU 608 Ca 0.37 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 3kn6 h LEU 608 Cb -0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3kn6 h LEU 608 CO -0.10 0.65 0.03 1.23 0.09 0.00 0.00 178.44 180.33 3kn6 h GLY 609 N 0.92 1.05 0.89 0.83 0.00 -0.84 -1.78 103.07 104.14 3kn6 h GLY 609 Ca 0.20 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 3kn6 h GLY 609 CO -0.02 0.69 0.08 -2.08 0.00 0.00 0.00 176.54 175.21 3kn6 h VAL 610 N 0.86 1.17 -0.62 4.60 2.07 -0.98 0.05 116.25 123.40 3kn6 h VAL 610 Ca 0.16 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.23 3kn6 h VAL 610 Cb 0.50 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 3kn6 h VAL 610 CO 0.02 0.17 0.29 0.40 0.02 0.00 0.00 177.57 178.47 3kn6 h ILE 611 N 0.19 0.86 -0.27 4.57 2.04 -1.27 -1.66 117.51 121.97 3kn6 h ILE 611 Ca 0.07 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3kn6 h ILE 611 Cb 0.19 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3kn6 h ILE 611 CO -0.00 0.09 0.00 0.25 0.00 0.00 0.00 178.15 178.49 3kn6 h LEU 612 N 0.52 0.46 -0.39 1.44 6.46 -1.13 0.22 115.31 122.89 3kn6 h LEU 612 Ca 0.30 -0.31 0.08 0.00 -0.12 0.00 0.00 57.88 57.83 3kn6 h LEU 612 Cb 0.29 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.03 3kn6 h LEU 612 CO -0.24 0.66 -0.08 0.22 -0.62 0.00 0.00 178.44 178.37 3kn6 h TYR 613 N 0.26 -0.18 -0.04 1.25 5.03 -0.64 -0.65 116.97 122.00 3kn6 h TYR 613 Ca 0.08 0.03 -0.21 0.00 2.58 0.00 0.00 58.73 61.21 3kn6 h TYR 613 Cb 0.42 0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.84 3kn6 h TYR 613 CO 0.03 -0.16 -0.85 1.15 -1.32 0.00 0.00 178.16 177.02 3kn6 h THR 614 N 0.02 1.39 -0.95 1.81 2.02 -1.21 -2.74 112.91 113.24 3kn6 h THR 614 Ca 0.19 -2.31 0.09 0.00 0.77 0.00 0.00 66.41 65.16 3kn6 h THR 614 Cb 0.29 2.28 -0.07 0.00 -1.74 0.00 0.00 68.15 68.90 3kn6 h THR 614 CO -0.39 0.69 0.61 0.24 0.37 0.00 0.00 175.52 177.04 3kn6 h MET 615 N 0.27 0.97 0.00 6.66 2.86 0.03 0.23 114.93 125.94 3kn6 h MET 615 Ca -0.06 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 3kn6 h MET 615 Cb 1.46 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 3kn6 h MET 615 CO 0.15 0.64 -0.66 -0.07 1.06 0.00 0.00 176.91 178.03 3kn6 h LEU 616 N 1.00 0.00 0.00 1.22 3.38 -0.98 -3.41 115.31 116.52 3kn6 h LEU 616 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3kn6 h LEU 616 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3kn6 h LEU 616 CO -0.19 0.20 -0.54 -1.54 0.09 0.00 0.00 178.44 176.46 3kn6 n SER 617 N -2.96 2.69 0.00 -0.43 3.41 -1.05 -4.50 113.62 110.78 3kn6 n SER 617 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3kn6 n SER 617 Cb 0.63 0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 3kn6 n SER 617 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kn6 n GLY 618 N 1.59 0.41 3.78 5.00 0.00 0.79 -4.31 105.19 112.45 3kn6 n GLY 618 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3kn6 n GLY 618 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kn6 s GLN 619 N -0.41 2.59 -0.18 1.61 -0.21 -1.26 -4.80 119.66 117.01 3kn6 s GLN 619 Ca 0.00 -1.34 -0.05 0.00 0.02 0.00 0.00 55.36 54.00 3kn6 s GLN 619 Cb 0.00 -2.35 -0.03 0.00 1.00 0.00 0.00 33.01 31.63 3kn6 s GLN 619 CO 0.00 0.21 -0.01 0.08 -2.12 0.00 0.00 175.29 173.45 3kn6 s VAL 620 N -2.31 4.01 0.74 1.09 1.01 -1.26 -3.82 120.40 119.86 3kn6 s VAL 620 Ca 0.37 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 3kn6 s VAL 620 Cb -0.05 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.57 3kn6 s VAL 620 CO 0.24 0.46 1.07 -2.16 0.00 0.00 0.00 175.10 174.72 3kn6 s PRO 621 N 0.62 2.59 -0.52 2.72 0.04 -1.26 -3.97 135.00 135.21 3kn6 s PRO 621 Ca -0.01 0.96 0.00 0.00 0.04 0.00 0.00 61.00 61.99 3kn6 s PRO 621 Cb -0.14 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3kn6 s PRO 621 CO 0.02 -1.35 0.00 1.19 0.04 0.00 0.00 177.00 176.90 3kn6 n PHE 622 N -3.30 0.00 -3.29 0.56 3.72 -1.26 -5.01 117.46 108.88 3kn6 n PHE 622 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3kn6 n PHE 622 Cb 0.54 -1.29 0.00 0.00 -0.94 0.00 0.00 39.48 37.78 3kn6 n PHE 622 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3kn6 n GLN 623 N -2.31 1.32 -1.64 -1.08 3.00 -1.25 -4.57 117.38 110.85 3kn6 n GLN 623 Ca -0.05 0.00 -0.54 0.00 -0.01 0.00 0.00 57.00 56.40 3kn6 n GLN 623 Cb 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.41 3kn6 n GLN 623 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3kn6 n SER 624 N -2.37 2.61 0.10 1.08 3.41 -1.26 -4.84 113.62 112.35 3kn6 n SER 624 Ca 0.00 0.89 0.12 0.00 -0.26 0.00 0.00 58.87 59.62 3kn6 n SER 624 Cb 0.00 -1.23 0.61 0.00 -0.26 0.00 0.00 64.21 63.33 3kn6 n SER 624 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3kn6 h HIS 625 N 8.96 0.12 -1.34 7.33 2.07 -1.99 -3.27 115.15 127.04 3kn6 h HIS 625 Ca -0.42 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.50 3kn6 h HIS 625 Cb 1.31 -0.04 -0.10 0.00 2.57 0.00 0.00 27.41 31.15 3kn6 h HIS 625 CO 0.85 0.07 1.41 0.16 -3.07 0.00 0.00 177.93 177.34 3kn6 s ASP 626 N -6.65 6.46 -0.86 3.10 1.47 -1.26 -4.97 116.67 113.95 3kn6 s ASP 626 Ca -0.06 -1.34 -0.27 0.00 1.18 0.00 0.00 52.55 52.07 3kn6 s ASP 626 Cb 0.18 -2.56 -0.23 0.00 -0.34 0.00 0.00 42.92 39.97 3kn6 s ASP 626 CO 0.71 -1.54 1.96 0.54 0.68 0.00 0.00 175.17 177.52 3kn6 n ARG 627 N 8.85 0.46 0.00 2.11 1.74 -1.23 -4.75 116.66 123.85 3kn6 n ARG 627 Ca 0.28 -1.72 0.00 0.00 -0.77 0.00 0.00 57.85 55.64 3kn6 n ARG 627 Cb 0.51 -3.55 0.00 0.00 -1.02 0.00 0.00 32.46 28.40 3kn6 n ARG 627 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 3kn6 n LEU 629 N 15.87 0.00 -4.70 0.55 -0.00 -1.26 -5.10 117.00 122.36 3kn6 n LEU 629 Ca 0.44 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 56.19 3kn6 n LEU 629 Cb 0.45 -0.05 -0.08 0.00 -0.00 0.00 0.00 43.42 43.74 3kn6 n LEU 629 CO 0.76 -0.09 -0.20 0.28 -0.00 0.00 0.00 177.39 178.15 3kn6 s THR 630 N -0.18 2.16 0.00 1.47 -1.32 -1.26 -5.07 115.64 111.45 3kn6 s THR 630 Ca 0.00 -1.80 -0.33 0.00 -1.21 0.00 0.00 61.69 58.35 3kn6 s THR 630 Cb 0.00 -2.96 -0.11 0.00 -1.51 0.00 0.00 72.50 67.92 3kn6 s THR 630 CO 0.00 0.00 1.85 0.00 -2.21 0.00 0.00 174.62 174.26 3kn6 s THR 632 N 3.48 1.96 0.59 0.00 -1.32 -1.26 -5.04 115.64 114.05 3kn6 s THR 632 Ca 0.88 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 61.23 3kn6 s THR 632 Cb -0.61 -2.96 -0.05 0.00 -1.51 0.00 0.00 72.50 67.37 3kn6 s THR 632 CO 0.46 0.00 1.02 -0.94 -2.21 0.00 0.00 174.62 172.94 3kn6 s SER 633 N -4.87 6.28 0.16 8.08 1.04 -1.26 -4.88 113.70 118.25 3kn6 s SER 633 Ca 0.76 1.51 -0.18 0.00 0.48 0.00 0.00 55.95 58.52 3kn6 s SER 633 Cb -0.03 -2.49 0.07 0.00 0.10 0.00 0.00 66.02 63.67 3kn6 s SER 633 CO 0.54 -0.83 1.68 0.00 0.98 0.00 0.00 173.24 175.61 3kn6 h ALA 634 N 0.12 0.25 -0.87 5.32 0.00 -1.96 -0.69 119.26 121.43 3kn6 h ALA 634 Ca -0.45 0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.60 3kn6 h ALA 634 Cb 1.19 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 3kn6 h ALA 634 CO 0.61 -0.45 0.57 0.28 0.00 0.00 0.00 179.25 180.26 3kn6 h VAL 635 N 0.01 1.23 0.03 0.00 2.07 -1.97 0.12 116.25 117.73 3kn6 h VAL 635 Ca 0.17 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3kn6 h VAL 635 Cb 0.26 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 3kn6 h VAL 635 CO -0.36 0.22 -0.09 -0.08 0.02 0.00 0.00 177.57 177.29 3kn6 h GLU 636 N 1.18 -0.16 -0.28 1.57 4.57 -1.71 -2.63 114.58 117.12 3kn6 h GLU 636 Ca 0.32 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.48 3kn6 h GLU 636 Cb -0.12 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 3kn6 h GLU 636 CO -0.07 -0.11 0.08 0.82 -1.18 0.00 0.00 179.01 178.55 3kn6 h ILE 637 N -0.17 1.21 -0.77 2.32 2.04 -0.77 -2.89 117.51 118.48 3kn6 h ILE 637 Ca 0.02 -0.69 0.15 0.00 1.00 0.00 0.00 64.86 65.35 3kn6 h ILE 637 Cb 0.19 1.12 -0.10 0.00 -0.74 0.00 0.00 36.82 37.29 3kn6 h ILE 637 CO -0.07 0.23 0.29 -0.03 0.00 0.00 0.00 178.15 178.57 3kn6 h MET 638 N 0.30 0.40 -0.47 2.37 4.05 -0.88 0.85 114.93 121.54 3kn6 h MET 638 Ca 0.09 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.44 3kn6 h MET 638 Cb 0.27 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 3kn6 h MET 638 CO -0.00 0.26 0.12 -0.22 0.23 0.00 0.00 176.91 177.30 3kn6 h LYS 639 N 0.41 0.76 -0.67 0.39 3.64 -1.32 -1.58 116.57 118.20 3kn6 h LYS 639 Ca 0.43 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 3kn6 h LYS 639 Cb 0.69 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 3kn6 h LYS 639 CO -0.44 0.74 0.10 0.87 -2.27 0.00 0.00 179.45 178.46 3kn6 h LYS 640 N 0.64 1.10 -0.10 1.90 1.57 -1.03 -2.20 116.57 118.45 3kn6 h LYS 640 Ca 0.15 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3kn6 h LYS 640 Cb 0.32 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3kn6 h LYS 640 CO 0.00 1.01 0.03 0.82 -0.57 0.00 0.00 179.45 180.74 3kn6 h ILE 641 N 1.03 0.97 0.00 1.86 2.04 -0.56 0.26 117.51 123.12 3kn6 h ILE 641 Ca 0.20 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 3kn6 h ILE 641 Cb 0.45 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3kn6 h ILE 641 CO 0.01 0.01 -0.14 0.07 0.00 0.00 0.00 178.15 178.11 3kn6 h LYS 642 N 0.08 0.00 -0.17 2.37 2.10 -1.14 -2.00 116.57 117.80 3kn6 h LYS 642 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3kn6 h LYS 642 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 3kn6 h LYS 642 CO -0.05 0.14 0.00 1.17 -2.00 0.00 0.00 179.45 178.71 3kn6 n LYS 643 N -3.39 2.14 -3.67 0.07 4.81 -0.84 -4.95 118.16 112.32 3kn6 n LYS 643 Ca -0.01 -1.69 -0.24 0.00 -0.87 0.00 0.00 58.31 55.51 3kn6 n LYS 643 Cb 0.33 -1.47 0.06 0.00 0.02 0.00 0.00 35.03 33.98 3kn6 n LYS 643 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kn6 n GLY 644 N 1.32 -0.47 3.34 3.14 0.00 -0.03 -4.89 105.19 107.60 3kn6 n GLY 644 Ca 0.17 0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.95 3kn6 n GLY 644 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kn6 n ASP 645 N -2.99 5.41 -4.33 1.61 2.03 0.72 -4.89 116.55 114.11 3kn6 n ASP 645 Ca -0.07 -3.04 -0.20 0.00 0.52 0.00 0.00 54.79 52.00 3kn6 n ASP 645 Cb 0.58 -1.47 -0.10 0.00 -0.72 0.00 0.00 41.12 39.41 3kn6 n ASP 645 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3kn6 s PHE 646 N 0.08 1.72 0.12 -0.67 -0.71 -1.26 -4.28 117.98 112.97 3kn6 s PHE 646 Ca 0.37 -0.53 0.02 0.00 -1.04 0.00 0.00 56.93 55.75 3kn6 s PHE 646 Cb -0.04 -0.83 -0.04 0.00 -1.21 0.00 0.00 43.02 40.90 3kn6 s PHE 646 CO -0.02 0.33 -0.07 -1.12 -1.34 0.00 0.00 175.22 173.00 3kn6 s SER 647 N -3.02 1.30 -0.57 1.98 0.01 -1.26 -5.01 113.70 107.13 3kn6 s SER 647 Ca 0.19 -1.02 0.06 0.00 1.31 0.00 0.00 55.95 56.49 3kn6 s SER 647 Cb -0.03 0.07 0.33 0.00 0.21 0.00 0.00 66.02 66.60 3kn6 s SER 647 CO 0.07 -0.44 0.89 0.49 0.41 0.00 0.00 173.24 174.66 3kn6 n PHE 648 N -0.09 3.57 -4.42 2.43 3.72 -1.26 -5.00 117.46 116.41 3kn6 n PHE 648 Ca -0.11 -4.00 -0.24 0.00 -0.05 0.00 0.00 57.45 53.05 3kn6 n PHE 648 Cb 0.61 -0.49 -0.09 0.00 -0.94 0.00 0.00 39.48 38.57 3kn6 n PHE 648 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3kn6 s GLU 649 N -3.20 1.89 0.00 -1.08 2.02 -1.26 -4.80 118.70 112.27 3kn6 s GLU 649 Ca 0.47 -1.68 0.00 0.00 0.02 0.00 0.00 54.97 53.77 3kn6 s GLU 649 Cb 0.27 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.61 3kn6 s GLU 649 CO -0.12 0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.89 3kn6 n GLY 650 N -0.73 0.33 0.35 -1.39 0.00 -1.26 -4.47 105.19 98.01 3kn6 n GLY 650 Ca -0.05 -2.01 -0.02 0.00 0.00 0.00 0.00 46.02 43.94 3kn6 n GLY 650 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kn6 h GLU 651 N 0.00 1.15 -0.49 1.61 4.11 -2.01 -2.77 114.58 116.18 3kn6 h GLU 651 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.36 3kn6 h GLU 651 Cb 0.00 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 3kn6 h GLU 651 CO 0.00 0.76 0.31 0.00 0.07 0.00 0.00 179.01 180.15 3kn6 h ALA 652 N 1.36 1.62 -0.01 1.06 0.00 -1.90 -2.40 119.26 118.99 3kn6 h ALA 652 Ca 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3kn6 h ALA 652 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kn6 h ALA 652 CO -0.10 0.34 -0.50 0.91 0.00 0.00 0.00 179.25 179.90 3kn6 n TRP 653 N -4.45 0.00 0.02 0.00 7.02 -1.06 -4.50 117.44 114.47 3kn6 n TRP 653 Ca 0.04 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.42 3kn6 n TRP 653 Cb 0.06 -0.10 -0.04 0.00 -2.42 0.00 0.00 31.31 28.82 3kn6 n TRP 653 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 3kn6 h LYS 654 N 0.97 -0.23 -0.01 -0.99 3.64 -1.24 -2.88 116.57 115.83 3kn6 h LYS 654 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3kn6 h LYS 654 Cb 0.56 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3kn6 h LYS 654 CO 0.00 -0.16 -0.30 0.09 -2.27 0.00 0.00 179.45 176.82 3kn6 n ASN 655 N -5.31 1.61 -4.75 4.20 5.03 -1.26 -4.92 115.26 109.86 3kn6 n ASN 655 Ca -0.04 -1.28 -0.41 0.00 0.87 0.00 0.00 54.58 53.72 3kn6 n ASN 655 Cb 0.23 0.24 -0.02 0.00 -1.02 0.00 0.00 39.78 39.21 3kn6 n ASN 655 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kn6 s VAL 656 N -2.40 2.65 0.73 2.41 1.01 -1.09 -4.95 120.40 118.75 3kn6 s VAL 656 Ca 0.24 0.57 -0.15 0.00 0.00 0.00 0.00 61.98 62.64 3kn6 s VAL 656 Cb 0.19 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 33.24 3kn6 s VAL 656 CO 0.51 0.10 1.21 -0.94 0.00 0.00 0.00 175.10 175.98 3kn6 s SER 657 N 0.16 4.23 0.35 3.32 1.04 -1.26 -4.92 113.70 116.61 3kn6 s SER 657 Ca 0.57 2.35 0.12 0.00 0.48 0.00 0.00 55.95 59.47 3kn6 s SER 657 Cb -0.42 -2.59 0.63 0.00 0.10 0.00 0.00 66.02 63.74 3kn6 s SER 657 CO 0.46 -2.24 1.77 -0.61 0.98 0.00 0.00 173.24 173.60 3kn6 h GLN 658 N -0.27 0.02 -0.62 4.02 5.75 -1.98 -2.83 115.11 119.20 3kn6 h GLN 658 Ca -0.48 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 57.94 3kn6 h GLN 658 Cb 1.30 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.82 3kn6 h GLN 658 CO 0.50 0.44 0.10 0.93 -2.65 0.00 0.00 178.83 178.15 3kn6 h GLU 659 N 0.01 1.03 -0.43 1.69 3.07 -1.99 -0.79 114.58 117.18 3kn6 h GLU 659 Ca -0.00 -0.28 -0.05 0.00 -0.50 0.00 0.00 59.36 58.53 3kn6 h GLU 659 Cb 0.76 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 3kn6 h GLU 659 CO 0.06 0.96 0.05 0.00 -1.40 0.00 0.00 179.01 178.68 3kn6 h ALA 660 N 1.03 0.57 -0.79 3.43 0.00 -1.90 -2.04 119.26 119.55 3kn6 h ALA 660 Ca 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3kn6 h ALA 660 Cb 0.43 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3kn6 h ALA 660 CO 0.01 0.30 0.37 0.87 0.00 0.00 0.00 179.25 180.80 3kn6 h LYS 661 N 0.57 1.15 -0.34 0.00 1.57 -1.34 -1.14 116.57 117.03 3kn6 h LYS 661 Ca 0.13 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3kn6 h LYS 661 Cb 0.40 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3kn6 h LYS 661 CO 0.01 0.89 -0.22 -0.44 -0.57 0.00 0.00 179.45 179.13 3kn6 h ASP 662 N 1.13 0.67 0.12 0.86 3.32 -1.02 0.96 116.42 122.45 3kn6 h ASP 662 Ca 0.27 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3kn6 h ASP 662 Cb 0.13 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3kn6 h ASP 662 CO -0.03 0.88 -0.06 0.25 -1.72 0.00 0.00 179.24 178.56 3kn6 h LEU 663 N 0.58 -0.13 -0.82 1.55 5.85 -0.94 -0.88 115.31 120.52 3kn6 h LEU 663 Ca 0.09 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.73 3kn6 h LEU 663 Cb 0.69 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 3kn6 h LEU 663 CO 0.05 0.10 0.46 0.40 -0.34 0.00 0.00 178.44 179.11 3kn6 h ILE 664 N -0.37 0.88 -0.41 4.05 2.04 -1.04 -1.65 117.51 121.01 3kn6 h ILE 664 Ca -0.02 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.61 3kn6 h ILE 664 Cb 0.31 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3kn6 h ILE 664 CO 0.03 0.14 0.22 1.56 0.00 0.00 0.00 178.15 180.09 3kn6 h GLN 665 N 0.75 0.42 -0.61 2.37 4.20 -0.59 -1.44 115.11 120.21 3kn6 h GLN 665 Ca 0.40 -0.03 0.15 0.00 0.06 0.00 0.00 58.65 59.23 3kn6 h GLN 665 Cb 0.40 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3kn6 h GLN 665 CO -0.26 0.28 0.43 0.78 -0.67 0.00 0.00 178.83 179.38 3kn6 h GLY 666 N 0.44 0.27 1.15 3.46 0.00 -0.22 0.58 103.07 108.75 3kn6 h GLY 666 Ca 0.17 -0.07 -0.22 0.00 0.00 0.00 0.00 47.33 47.22 3kn6 h GLY 666 CO -0.11 0.03 -1.43 1.41 0.00 0.00 0.00 176.54 176.43 3kn6 h LEU 667 N 0.16 0.00 -0.75 3.11 3.38 -0.87 0.33 115.31 120.68 3kn6 h LEU 667 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3kn6 h LEU 667 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3kn6 h LEU 667 CO -0.05 0.78 -0.27 0.18 0.09 0.00 0.00 178.44 179.18 3kn6 n LEU 668 N -3.02 1.30 -4.67 1.67 4.77 -0.63 -4.23 117.00 112.19 3kn6 n LEU 668 Ca -0.11 -0.75 -0.30 0.00 -0.03 0.00 0.00 56.01 54.82 3kn6 n LEU 668 Cb 0.93 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 42.18 3kn6 n LEU 668 CO 0.44 0.26 0.65 0.28 -1.33 0.00 0.00 177.39 177.68 3kn6 s THR 669 N -1.57 2.49 -0.34 -5.08 -1.32 0.20 -4.75 115.64 105.27 3kn6 s THR 669 Ca 0.10 0.16 0.06 0.00 -1.21 0.00 0.00 61.69 60.79 3kn6 s THR 669 Cb 0.10 -2.46 0.18 0.00 -1.51 0.00 0.00 72.50 68.81 3kn6 s THR 669 CO 0.31 -0.21 0.56 0.68 -2.21 0.00 0.00 174.62 173.75 3kn6 s VAL 670 N -2.78 -0.88 -0.04 5.08 -7.23 -1.26 -4.74 120.40 108.56 3kn6 s VAL 670 Ca 0.65 -0.15 0.03 0.00 -1.81 0.00 0.00 61.98 60.70 3kn6 s VAL 670 Cb -0.20 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 3kn6 s VAL 670 CO 0.58 -0.10 0.08 -0.67 -0.31 0.00 0.00 175.10 174.68 3kn6 n ASP 671 N 4.90 3.26 0.00 4.85 2.03 -1.26 -4.70 116.55 125.63 3kn6 n ASP 671 Ca 0.07 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.24 3kn6 n ASP 671 Cb 0.54 1.10 0.00 0.00 -0.72 0.00 0.00 41.12 42.04 3kn6 n ASP 671 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3kn6 n PRO 672 N -1.47 0.00 0.00 -0.67 -0.02 -1.26 0.42 135.00 132.01 3kn6 n PRO 672 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kn6 n PRO 672 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.55 3kn6 n PRO 672 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3kn6 n ASN 673 N 0.00 0.00 -0.08 2.55 0.23 -1.26 -4.99 115.26 111.71 3kn6 n ASN 673 Ca 0.00 -0.11 0.05 0.00 -0.53 0.00 0.00 54.58 53.99 3kn6 n ASN 673 Cb 0.00 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 37.77 3kn6 n ASN 673 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 3kn6 n LYS 674 N 0.00 1.71 -1.68 -3.83 0.00 1.43 -5.00 118.16 110.79 3kn6 n LYS 674 Ca 0.00 -1.97 -0.44 0.00 0.00 0.00 0.00 58.31 55.90 3kn6 n LYS 674 Cb 0.03 -1.19 -0.02 0.00 0.00 0.00 0.00 35.03 33.85 3kn6 n LYS 674 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3kn6 n ARG 675 N -0.92 2.07 -2.77 1.64 0.63 -0.94 -4.72 116.66 111.65 3kn6 n ARG 675 Ca 0.08 0.73 -0.35 0.00 -0.92 0.00 0.00 57.85 57.40 3kn6 n ARG 675 Cb 0.50 -2.36 -0.06 0.00 0.45 0.00 0.00 32.46 30.99 3kn6 n ARG 675 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3kn6 s LEU 676 N -0.31 4.14 0.47 6.15 1.02 0.12 -5.01 118.68 125.26 3kn6 s LEU 676 Ca 0.63 1.80 0.06 0.00 0.02 0.00 0.00 54.13 56.64 3kn6 s LEU 676 Cb -0.62 -4.27 -0.00 0.00 0.02 0.00 0.00 46.19 41.32 3kn6 s LEU 676 CO 0.54 -0.25 0.32 -0.54 0.02 0.00 0.00 176.35 176.44 3kn6 s LYS 677 N -2.61 2.32 0.19 1.70 1.02 -1.26 -4.90 119.74 116.20 3kn6 s LYS 677 Ca 0.56 -1.86 -0.11 0.00 0.02 0.00 0.00 55.97 54.58 3kn6 s LYS 677 Cb -0.15 -2.12 0.11 0.00 -0.52 0.00 0.00 37.83 35.16 3kn6 s LYS 677 CO 0.19 -0.36 1.81 1.98 -0.92 0.00 0.00 175.35 178.06 3kn6 h MET 678 N 1.03 0.92 0.00 1.68 1.85 -1.97 0.55 114.93 118.99 3kn6 h MET 678 Ca -0.40 -0.10 0.00 0.00 -0.61 0.00 0.00 59.70 58.59 3kn6 h MET 678 Cb 1.28 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 33.13 3kn6 h MET 678 CO 0.61 0.68 0.04 0.66 -0.40 0.00 0.00 176.91 178.51 3kn6 h SER 679 N 0.91 0.00 0.00 1.39 4.64 -2.01 -2.12 113.55 116.36 3kn6 h SER 679 Ca 0.23 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.22 3kn6 h SER 679 Cb 0.03 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 3kn6 h SER 679 CO -0.04 0.00 -2.24 0.61 -0.87 0.00 0.00 176.83 174.29 3kn6 n GLY 680 N -1.20 -0.30 0.37 -0.77 0.00 -0.74 -4.53 105.19 98.02 3kn6 n GLY 680 Ca -0.02 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.99 3kn6 n GLY 680 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kn6 h LEU 681 N -0.04 0.66 -2.50 0.99 6.46 -0.31 0.37 115.31 120.93 3kn6 h LEU 681 Ca -0.49 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.32 3kn6 h LEU 681 Cb 1.74 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.60 3kn6 h LEU 681 CO -0.09 0.30 -0.01 0.08 -0.62 0.00 0.00 178.44 178.09 3kn6 h ARG 682 N 0.68 0.00 -0.40 1.25 0.11 -1.64 -2.19 114.38 112.19 3kn6 h ARG 682 Ca 0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 3kn6 h ARG 682 Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 3kn6 h ARG 682 CO -0.25 0.01 0.00 0.66 0.10 0.00 0.00 179.97 180.50 3kn6 n TYR 683 N -3.22 0.51 -1.94 4.08 4.01 0.12 -4.92 117.16 115.80 3kn6 n TYR 683 Ca -0.02 -0.26 -0.42 0.00 -0.16 0.00 0.00 57.90 57.04 3kn6 n TYR 683 Cb 0.14 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 3kn6 n TYR 683 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3kn6 s ASN 684 N -1.45 6.59 0.31 7.72 2.47 -0.83 -4.89 114.94 124.86 3kn6 s ASN 684 Ca 0.39 2.62 -0.00 0.00 0.42 0.00 0.00 52.86 56.29 3kn6 s ASN 684 Cb 0.22 -2.60 0.51 0.00 -1.45 0.00 0.00 41.25 37.94 3kn6 s ASN 684 CO 0.31 -0.82 1.95 1.05 -3.72 0.00 0.00 177.10 175.87 3kn6 h GLU 685 N 6.70 1.01 0.00 0.43 4.11 -1.93 -1.58 114.58 123.32 3kn6 h GLU 685 Ca -0.43 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 3kn6 h GLU 685 Cb 1.21 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 3kn6 h GLU 685 CO 0.91 0.67 -0.05 2.35 0.07 0.00 0.00 179.01 182.96 3kn6 h TRP 686 N 1.04 0.00 -0.02 2.06 7.01 -1.90 -2.69 115.95 121.46 3kn6 h TRP 686 Ca 0.34 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.34 3kn6 h TRP 686 Cb 0.03 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 3kn6 h TRP 686 CO -0.00 0.05 -0.17 1.28 -2.79 0.00 0.00 178.44 176.81 3kn6 n LEU 687 N -3.36 2.19 -4.73 0.65 4.32 -0.60 -4.92 117.00 110.55 3kn6 n LEU 687 Ca -0.02 -0.74 -0.41 0.00 -0.02 0.00 0.00 56.01 54.82 3kn6 n LEU 687 Cb 0.20 -0.02 -0.04 0.00 -1.62 0.00 0.00 43.42 41.94 3kn6 n LEU 687 CO 0.26 0.38 0.71 -1.10 -1.22 0.00 0.00 177.39 176.42 3kn6 s GLN 688 N -2.21 4.66 0.26 3.23 -1.52 -1.02 -4.89 119.66 118.18 3kn6 s GLN 688 Ca 0.27 1.54 -0.02 0.00 -1.95 0.00 0.00 55.36 55.20 3kn6 s GLN 688 Cb 0.20 -3.34 0.51 0.00 -0.22 0.00 0.00 33.01 30.15 3kn6 s GLN 688 CO 0.41 0.17 1.77 0.22 -0.25 0.00 0.00 175.29 177.61 3kn6 h ASP 689 N 5.42 0.53 -0.01 5.90 -0.00 -1.92 -2.11 116.42 124.24 3kn6 h ASP 689 Ca -0.43 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 56.68 3kn6 h ASP 689 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 3kn6 h ASP 689 CO 0.72 0.23 -0.01 0.61 -0.00 0.00 0.00 179.24 180.80 3kn6 n GLY 690 N -1.32 -0.10 3.74 -0.78 0.00 -1.26 -4.86 105.19 100.61 3kn6 n GLY 690 Ca 0.16 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 3kn6 n GLY 690 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kn6 s SER 691 N -2.01 7.11 -0.32 1.61 0.01 -0.79 -5.00 113.70 114.30 3kn6 s SER 691 Ca 0.39 2.24 -0.21 0.00 1.31 0.00 0.00 55.95 59.67 3kn6 s SER 691 Cb 0.21 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 3kn6 s SER 691 CO 0.34 -0.34 0.68 -1.10 0.41 0.00 0.00 173.24 173.23 3kn6 s GLN 692 N -0.40 3.85 0.34 12.44 1.11 -1.26 -4.97 119.66 130.76 3kn6 s GLN 692 Ca 0.52 0.30 0.07 0.00 0.01 0.00 0.00 55.36 56.25 3kn6 s GLN 692 Cb -0.32 -3.75 -0.02 0.00 -1.01 0.00 0.00 33.01 27.90 3kn6 s GLN 692 CO 0.37 -0.66 0.37 -0.51 0.01 0.00 0.00 175.29 174.87 3kn6 s LEU 693 N 2.75 3.75 0.54 2.90 1.43 -1.26 -5.09 118.68 123.70 3kn6 s LEU 693 Ca 0.27 -0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 52.78 3kn6 s LEU 693 Cb -0.14 -2.43 -0.06 0.00 0.03 0.00 0.00 46.19 43.59 3kn6 s LEU 693 CO 0.13 -0.40 1.23 -0.24 0.23 0.00 0.00 176.35 177.30 3kn6 n SER 694 N -1.49 2.07 -0.42 2.29 2.88 -1.26 -4.80 113.62 112.89 3kn6 n SER 694 Ca -0.01 0.94 0.04 0.00 -1.33 0.00 0.00 58.87 58.52 3kn6 n SER 694 Cb 0.59 -1.51 0.08 0.00 -0.75 0.00 0.00 64.21 62.63 3kn6 n SER 694 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3kn6 n SER 695 N -0.77 2.31 -4.77 -3.46 2.88 -1.26 -3.14 113.62 105.42 3kn6 n SER 695 Ca 0.11 -1.76 -0.39 0.00 -1.33 0.00 0.00 58.87 55.50 3kn6 n SER 695 Cb 0.44 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 3kn6 n SER 695 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 3kn6 s ASN 696 N -0.88 6.15 0.31 -3.46 -0.87 -1.26 -4.77 114.94 110.16 3kn6 s ASN 696 Ca 0.14 2.70 -0.29 0.00 -1.57 0.00 0.00 52.86 53.84 3kn6 s ASN 696 Cb 0.08 -2.64 -0.11 0.00 -0.02 0.00 0.00 41.25 38.57 3kn6 s ASN 696 CO 0.11 -0.97 1.44 -2.84 -2.57 0.00 0.00 177.10 172.27 3kn6 s PRO 697 N -2.35 4.23 0.63 -0.60 0.02 -1.26 -4.25 135.00 131.41 3kn6 s PRO 697 Ca 0.59 2.39 -0.05 0.00 0.02 0.00 0.00 61.00 63.96 3kn6 s PRO 697 Cb -0.39 -3.05 0.04 0.00 0.02 0.00 0.00 34.50 31.12 3kn6 s PRO 697 CO 0.50 -0.42 0.92 -0.51 -0.33 0.00 0.00 177.00 177.16 3kn6 s LEU 698 N -1.25 3.06 0.00 -5.54 1.43 0.16 -4.96 118.68 111.58 3kn6 s LEU 698 Ca 0.55 0.43 0.28 0.00 -1.03 0.00 0.00 54.13 54.37 3kn6 s LEU 698 Cb -0.43 -3.19 1.13 0.00 0.03 0.00 0.00 46.19 43.73 3kn6 s LEU 698 CO 0.52 -1.31 1.79 0.23 0.23 0.00 0.00 176.35 177.81 3kn6 n MET 699 N -2.67 1.34 -0.20 1.70 2.81 -1.26 -4.46 117.12 114.37 3kn6 n MET 699 Ca 0.07 -0.68 -0.09 0.00 -1.81 0.00 0.00 57.70 55.19 3kn6 n MET 699 Cb 0.59 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.64 3kn6 n MET 699 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kn6 h THR 700 N 1.67 1.25 -0.51 2.03 1.03 -1.81 -0.91 112.91 115.66 3kn6 h THR 700 Ca 0.00 -0.92 -0.01 0.00 -0.01 0.00 0.00 66.41 65.47 3kn6 h THR 700 Cb 0.42 0.76 -0.03 0.00 -1.07 0.00 0.00 68.15 68.23 3kn6 h THR 700 CO 0.00 0.34 0.27 -0.65 -0.01 0.00 0.00 175.52 175.47 3kn6 h PRO 701 N 0.82 0.70 0.44 0.00 0.11 -1.78 0.24 132.00 132.54 3kn6 h PRO 701 Ca 0.18 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 3kn6 h PRO 701 Cb 0.37 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.34 3kn6 h PRO 701 CO 0.01 0.53 -0.21 0.22 -0.21 0.00 0.00 178.00 178.33 3kn6 h ASP 702 N 0.71 -0.51 -0.58 -2.05 3.58 -1.75 -1.61 116.42 114.21 3kn6 h ASP 702 Ca 0.18 -0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 3kn6 h ASP 702 Cb 0.04 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 3kn6 h ASP 702 CO -0.03 -0.19 0.28 0.40 -2.88 0.00 0.00 179.24 176.81 3kn6 h ILE 703 N -0.83 1.21 -0.24 2.25 2.04 -0.84 -0.90 117.51 120.19 3kn6 h ILE 703 Ca -0.06 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.10 3kn6 h ILE 703 Cb 0.56 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3kn6 h ILE 703 CO 0.10 0.25 -0.25 -0.07 0.00 0.00 0.00 178.15 178.18 3kn6 h LEU 704 N 0.87 0.46 -1.02 1.44 4.07 -0.56 -1.09 115.31 119.49 3kn6 h LEU 704 Ca 0.21 -0.15 -0.06 0.00 0.08 0.00 0.00 57.88 57.96 3kn6 h LEU 704 Cb 0.12 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 3kn6 h LEU 704 CO -0.03 0.71 0.06 1.23 -1.08 0.00 0.00 178.44 179.33 3kn6 h GLY 705 N 1.01 0.82 0.75 0.83 0.00 -0.15 0.12 103.07 106.46 3kn6 h GLY 705 Ca 0.06 -0.50 -0.34 0.00 0.00 0.00 0.00 47.33 46.55 3kn6 h GLY 705 CO 0.05 0.47 -1.89 -1.14 0.00 0.00 0.00 176.54 174.03 3kn6 n SER 706 N -4.25 1.72 -2.16 0.19 3.41 -0.85 -4.62 113.62 107.06 3kn6 n SER 706 Ca 0.03 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 3kn6 n SER 706 Cb 0.26 -0.61 0.04 0.00 -0.26 0.00 0.00 64.21 63.64 3kn6 n SER 706 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kn6 n SER 707 N -3.34 1.56 -0.04 4.04 3.41 -0.42 -4.90 113.62 113.93 3kn6 n SER 707 Ca -0.27 -2.21 0.02 0.00 -0.26 0.00 0.00 58.87 56.15 3kn6 n SER 707 Cb 1.05 -0.40 0.34 0.00 -0.26 0.00 0.00 64.21 64.94 3kn6 n SER 707 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kn6 h GLY 708 N 1.88 0.66 1.02 5.00 0.00 -0.85 -2.23 103.07 108.55 3kn6 h GLY 708 Ca -0.14 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 3kn6 h GLY 708 CO 0.18 0.29 -0.05 0.00 0.00 0.00 0.00 176.54 176.96 3kn6 h ALA 709 N 1.60 0.65 -0.01 3.60 0.00 -1.91 -1.85 119.26 121.34 3kn6 h ALA 709 Ca 0.15 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3kn6 h ALA 709 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kn6 h ALA 709 CO -0.02 0.49 -0.38 0.00 0.00 0.00 0.00 179.25 179.34 3kn6 h ALA 710 N 0.91 1.36 -0.24 0.00 0.00 -1.89 -2.76 119.26 116.63 3kn6 h ALA 710 Ca 0.13 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3kn6 h ALA 710 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kn6 h ALA 710 CO 0.03 0.48 -0.37 0.28 0.00 0.00 0.00 179.25 179.67 3kn6 h VAL 711 N 0.02 1.31 -0.49 0.00 2.07 -1.16 -2.18 116.25 115.82 3kn6 h VAL 711 Ca -0.00 -1.57 0.08 0.00 0.82 0.00 0.00 66.70 66.03 3kn6 h VAL 711 Cb 0.68 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 32.12 3kn6 h VAL 711 CO 0.05 0.50 0.10 -0.74 0.02 0.00 0.00 177.57 177.50 3kn6 h HIS 712 N 0.39 0.16 -0.36 1.57 2.76 -1.14 0.06 115.15 118.60 3kn6 h HIS 712 Ca 0.02 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.06 3kn6 h HIS 712 Cb 0.96 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 3kn6 h HIS 712 CO 0.08 0.00 -0.40 1.15 -1.30 0.00 0.00 177.93 177.46 3kn6 h THR 713 N 0.24 1.27 -0.05 6.26 2.02 -1.47 -2.35 112.91 118.83 3kn6 h THR 713 Ca 0.24 -1.58 -0.15 0.00 0.77 0.00 0.00 66.41 65.70 3kn6 h THR 713 Cb 0.32 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3kn6 h THR 713 CO -0.32 0.52 -0.62 0.00 0.37 0.00 0.00 175.52 175.48 3kn6 h VAL 715 N 0.14 1.27 -0.74 0.00 2.07 -0.95 -1.05 116.25 116.99 3kn6 h VAL 715 Ca -0.01 -0.91 0.11 0.00 0.82 0.00 0.00 66.70 66.71 3kn6 h VAL 715 Cb 1.13 1.54 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 3kn6 h VAL 715 CO 0.09 0.27 0.36 0.11 0.02 0.00 0.00 177.57 178.43 3kn6 h LYS 716 N 0.04 0.58 -0.53 1.57 1.57 -1.26 -0.85 116.57 117.68 3kn6 h LYS 716 Ca 0.05 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3kn6 h LYS 716 Cb 0.42 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3kn6 h LYS 716 CO 0.01 0.38 0.23 0.00 -0.57 0.00 0.00 179.45 179.50 3kn6 h ALA 717 N 1.46 0.69 -0.42 3.86 0.00 -1.02 -0.53 119.26 123.30 3kn6 h ALA 717 Ca 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kn6 h ALA 717 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3kn6 h ALA 717 CO -0.30 0.28 0.22 1.15 0.00 0.00 0.00 179.25 180.61 3kn6 h THR 718 N 0.72 1.16 -0.77 0.00 2.02 -0.27 0.22 112.91 116.00 3kn6 h THR 718 Ca 0.18 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3kn6 h THR 718 Cb 0.17 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 3kn6 h THR 718 CO -0.02 0.17 0.46 -0.26 0.37 0.00 0.00 175.52 176.24 3kn6 h PHE 719 N 0.54 1.02 -0.78 3.16 0.04 -1.07 -0.32 116.94 119.53 3kn6 h PHE 719 Ca 0.15 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.94 3kn6 h PHE 719 Cb 0.07 -0.33 -0.05 0.00 2.20 0.00 0.00 35.95 37.84 3kn6 h PHE 719 CO -0.02 0.69 0.50 1.25 -0.60 0.00 0.00 178.31 180.13 3kn6 h HIS 720 N 1.05 0.93 -0.49 -0.55 2.76 -0.50 -1.39 115.15 116.97 3kn6 h HIS 720 Ca 0.28 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.39 3kn6 h HIS 720 Cb -0.02 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.61 3kn6 h HIS 720 CO -0.01 0.54 -0.02 0.00 -1.30 0.00 0.00 177.93 177.14 3kn6 h ALA 721 N 1.33 1.05 -0.34 5.26 0.00 -0.02 -1.84 119.26 124.69 3kn6 h ALA 721 Ca 0.31 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3kn6 h ALA 721 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kn6 h ALA 721 CO -0.11 0.59 0.08 0.35 0.00 0.00 0.00 179.25 180.16 3kn6 h PHE 722 N 0.76 0.57 -0.35 0.00 3.57 -0.60 0.09 116.94 120.98 3kn6 h PHE 722 Ca 0.14 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.59 3kn6 h PHE 722 Cb 0.49 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3kn6 h PHE 722 CO 0.03 0.58 0.20 -0.91 -2.23 0.00 0.00 178.31 175.97 3kn6 h ASN 723 N 0.39 0.31 -0.37 0.41 -0.26 -1.11 0.18 115.58 115.12 3kn6 h ASN 723 Ca 0.11 0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.88 3kn6 h ASN 723 Cb 0.29 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.47 3kn6 h ASN 723 CO 0.00 0.23 0.19 0.50 -1.06 0.00 0.00 177.43 177.29 3kn6 h LYS 724 N 0.40 0.39 -0.75 0.81 3.64 -1.22 -0.03 116.57 119.81 3kn6 h LYS 724 Ca 0.14 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 3kn6 h LYS 724 Cb 0.02 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.69 3kn6 h LYS 724 CO -0.07 0.26 0.43 -0.92 -2.27 0.00 0.00 179.45 176.87 3kn6 h TYR 725 N 0.40 0.78 -0.10 1.91 3.20 -0.53 0.19 116.97 122.81 3kn6 h TYR 725 Ca 0.15 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 3kn6 h TYR 725 Cb 0.05 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3kn6 h TYR 725 CO -0.09 0.36 -0.41 0.87 -1.64 0.00 0.00 178.16 177.25 3kn6 h LYS 726 N 0.76 0.23 -0.02 1.82 1.79 0.10 -1.90 116.57 119.35 3kn6 h LYS 726 Ca 0.34 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.66 3kn6 h LYS 726 Cb 0.24 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3kn6 h LYS 726 CO -0.20 0.60 -0.16 0.00 -1.08 0.00 0.00 179.45 178.61 3kn6 h ARG 727 N 0.19 0.14 -2.36 3.15 3.08 -0.50 -3.37 114.38 114.71 3kn6 h ARG 727 Ca 0.02 -0.13 -0.66 0.00 0.07 0.00 0.00 59.98 59.29 3kn6 h ARG 727 Cb 0.81 0.03 -0.38 0.00 0.08 0.00 0.00 29.97 30.50 3kn6 h ARG 727 CO 0.06 0.81 -0.21 -0.85 -1.07 0.00 0.00 179.97 178.71 3kn6 n GLU 728 N -4.60 3.25 0.00 0.04 0.28 0.01 -5.11 120.64 114.52 3kn6 n GLU 728 Ca -0.09 -4.69 0.00 0.00 -0.16 0.00 0.00 57.16 52.22 3kn6 n GLU 728 Cb 0.43 -2.32 0.00 0.00 1.43 0.00 0.00 31.44 30.97 3kn6 n GLU 728 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38