#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kn6 s ASP 416 N 0.00 6.24 0.39 4.39 -0.00 -1.26 -4.95 116.67 121.48 3kn6 s ASP 416 Ca 0.00 2.76 -0.28 0.00 -0.00 0.00 0.00 52.55 55.03 3kn6 s ASP 416 Cb 0.00 -2.65 -0.11 0.00 -0.00 0.00 0.00 42.92 40.17 3kn6 s ASP 416 CO 0.00 -0.91 1.48 -1.54 -0.00 0.00 0.00 175.17 174.20 3kn6 n SER 417 N 0.13 3.72 -0.31 0.27 3.41 -1.26 -4.82 113.62 114.75 3kn6 n SER 417 Ca 0.03 1.21 0.16 0.00 -0.26 0.00 0.00 58.87 60.01 3kn6 n SER 417 Cb 0.43 -1.62 0.32 0.00 -0.26 0.00 0.00 64.21 63.08 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 2.83 0.13 -0.54 4.33 0.11 -1.93 -0.67 132.00 136.26 3kn6 h PRO 418 Ca -0.51 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.68 3kn6 h PRO 418 Cb 1.25 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 3kn6 h PRO 418 CO 0.63 0.08 0.16 0.35 -0.21 0.00 0.00 178.00 179.02 3kn6 h PHE 419 N 0.13 0.27 0.00 0.65 3.57 -1.89 -1.93 116.94 117.73 3kn6 h PHE 419 Ca 0.60 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.13 3kn6 h PHE 419 Cb 1.27 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.97 3kn6 h PHE 419 CO -0.30 0.04 0.00 1.88 -2.23 0.00 0.00 178.31 177.70 3kn6 h TYR 420 N 0.31 0.00 -0.00 0.41 0.05 -1.34 0.26 116.97 116.67 3kn6 h TYR 420 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 3kn6 h TYR 420 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 3kn6 h TYR 420 CO -0.20 0.00 -0.15 0.00 -1.05 0.00 0.00 178.16 176.76 3kn6 n GLN 421 N -2.59 0.20 -0.00 4.88 10.64 -0.73 -4.08 117.38 125.69 3kn6 n GLN 421 Ca 0.02 -0.06 0.01 0.00 -1.83 0.00 0.00 57.00 55.15 3kn6 n GLN 421 Cb 0.31 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.17 3kn6 n GLN 421 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3kn6 n HIS 422 N -1.35 0.00 -4.11 2.61 8.25 -0.69 -4.97 115.22 114.97 3kn6 n HIS 422 Ca 0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.40 3kn6 n HIS 422 Cb 0.32 -0.07 -0.11 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.16 0.87 -0.14 4.41 2.02 -0.00 -0.72 117.35 121.62 3kn6 s TYR 423 Ca -0.01 -0.51 -0.01 0.00 -0.37 0.00 0.00 57.07 56.17 3kn6 s TYR 423 Cb 0.02 -0.50 -0.02 0.00 -0.40 0.00 0.00 41.96 41.05 3kn6 s TYR 423 CO 0.11 -0.04 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.45 3kn6 s ASP 424 N -1.72 4.30 -0.08 2.29 1.01 -0.12 -4.45 116.67 117.90 3kn6 s ASP 424 Ca -0.06 -0.26 -0.19 0.00 0.71 0.00 0.00 52.55 52.75 3kn6 s ASP 424 Cb -0.09 -1.67 -0.04 0.00 1.01 0.00 0.00 42.92 42.12 3kn6 s ASP 424 CO 0.01 0.16 0.53 -0.22 0.21 0.00 0.00 175.17 175.86 3kn6 s LEU 425 N 0.38 4.33 -0.98 1.23 2.96 -1.26 -1.46 118.68 123.87 3kn6 s LEU 425 Ca -0.08 0.95 -0.06 0.00 -0.22 0.00 0.00 54.13 54.72 3kn6 s LEU 425 Cb -0.15 -2.79 0.24 0.00 0.50 0.00 0.00 46.19 43.99 3kn6 s LEU 425 CO 0.04 0.03 0.91 -1.81 -1.32 0.00 0.00 176.35 174.21 3kn6 s ASP 426 N 0.36 6.61 0.00 3.68 1.01 -1.25 -4.92 116.67 122.15 3kn6 s ASP 426 Ca 0.29 -3.57 0.20 0.00 0.71 0.00 0.00 52.55 50.18 3kn6 s ASP 426 Cb -0.16 -2.06 1.13 0.00 1.01 0.00 0.00 42.92 42.84 3kn6 s ASP 426 CO 0.13 -0.26 1.63 -0.11 0.21 0.00 0.00 175.17 176.77 3kn6 n LEU 427 N 2.65 0.00 0.07 1.23 7.94 -1.26 -3.10 117.00 124.53 3kn6 n LEU 427 Ca 0.21 0.14 -0.16 0.00 -1.11 0.00 0.00 56.01 55.10 3kn6 n LEU 427 Cb 0.39 -0.14 -0.14 0.00 0.53 0.00 0.00 43.42 44.06 3kn6 n LEU 427 CO 0.41 -0.05 -0.22 0.07 -1.11 0.00 0.00 177.39 176.49 3kn6 h LYS 428 N 0.00 0.24 -6.82 1.96 2.10 -2.02 -3.45 116.57 108.58 3kn6 h LYS 428 Ca 0.00 -0.41 -0.48 0.00 -2.00 0.00 0.00 60.65 57.76 3kn6 h LYS 428 Cb 0.09 0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.55 3kn6 h LYS 428 CO 0.00 1.13 0.28 -0.51 -2.00 0.00 0.00 179.45 178.34 3kn6 s ASP 429 N -7.00 7.20 0.71 7.07 1.11 -1.18 -5.02 116.67 119.56 3kn6 s ASP 429 Ca -0.07 1.69 -0.14 0.00 0.18 0.00 0.00 52.55 54.22 3kn6 s ASP 429 Cb 0.07 -2.53 0.03 0.00 1.07 0.00 0.00 42.92 41.56 3kn6 s ASP 429 CO 0.86 -0.08 1.13 -1.59 1.18 0.00 0.00 175.17 176.67 3kn6 s LYS 430 N -2.21 2.42 0.66 8.23 -2.85 -1.26 -4.95 119.74 119.77 3kn6 s LYS 430 Ca 0.50 1.44 -0.17 0.00 -1.00 0.00 0.00 55.97 56.74 3kn6 s LYS 430 Cb -0.17 -1.90 -0.03 0.00 -2.06 0.00 0.00 37.83 33.67 3kn6 s LYS 430 CO 0.21 -1.55 0.86 -2.30 0.10 0.00 0.00 175.35 172.67 3kn6 n PRO 431 N -2.82 0.64 0.17 1.78 -0.02 -1.26 -4.86 135.00 128.63 3kn6 n PRO 431 Ca 0.11 0.26 0.04 0.00 -2.02 0.00 0.00 63.50 61.90 3kn6 n PRO 431 Cb 0.52 -2.09 0.24 0.00 -0.02 0.00 0.00 33.50 32.14 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 0.09 0.00 -7.15 2.45 3.38 -0.69 -3.48 115.31 109.90 3kn6 h LEU 432 Ca -0.47 0.00 0.35 0.00 0.09 0.00 0.00 57.88 57.85 3kn6 h LEU 432 Cb 1.36 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.98 3kn6 h LEU 432 CO 0.48 0.43 0.89 -0.83 0.09 0.00 0.00 178.44 179.50 3kn6 s GLY 433 N -4.40 -0.45 0.04 0.83 0.00 -1.13 -4.98 107.32 97.24 3kn6 s GLY 433 Ca 0.01 0.79 -0.11 0.00 0.00 0.00 0.00 44.72 45.41 3kn6 s GLY 433 CO 0.71 0.17 0.24 -0.54 0.00 0.00 0.00 173.10 173.67 3kn6 s GLU 434 N -2.28 0.74 0.00 2.90 2.02 -1.26 -0.66 118.70 120.16 3kn6 s GLU 434 Ca 0.14 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.55 3kn6 s GLU 434 Cb 0.06 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.60 3kn6 s GLU 434 CO -0.05 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.41 3kn6 n GLY 435 N 0.63 3.53 3.61 -1.39 0.00 -0.46 -4.97 105.19 106.13 3kn6 n GLY 435 Ca -0.19 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 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 0.17 5.83 -1.62 1.61 0.01 -1.26 -2.68 113.70 115.76 3kn6 s SER 436 Ca 0.00 1.68 -0.00 0.00 1.31 0.00 0.00 55.95 58.94 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 -1.69 0.02 0.49 0.41 0.00 0.00 173.24 172.46 3kn6 n PHE 437 N 10.36 -1.12 -3.84 2.43 3.72 -1.26 -4.91 117.46 122.83 3kn6 n PHE 437 Ca 0.25 0.01 -0.11 0.00 -0.05 0.00 0.00 57.45 57.55 3kn6 n PHE 437 Cb 0.45 -3.72 -0.09 0.00 -0.94 0.00 0.00 39.48 35.18 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 -2.06 -0.00 0.01 4.37 1.04 -1.09 -1.32 113.70 114.65 3kn6 s SER 438 Ca 0.01 -0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.18 3kn6 s SER 438 Cb -0.00 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 3kn6 s SER 438 CO 0.01 -0.47 0.02 -0.51 0.98 0.00 0.00 173.24 173.27 3kn6 s ILE 439 N -1.92 0.09 -0.16 -1.02 2.07 -0.53 -1.36 121.20 118.38 3kn6 s ILE 439 Ca -0.10 -0.77 0.00 0.00 -1.41 0.00 0.00 60.65 58.37 3kn6 s ILE 439 Cb -0.04 -0.29 -0.00 0.00 0.13 0.00 0.00 42.46 42.26 3kn6 s ILE 439 CO -0.00 -0.42 -0.15 0.00 -1.91 0.00 0.00 174.94 172.45 3kn6 s ARG 441 N 0.87 1.14 0.44 0.00 0.52 -0.12 0.09 118.95 121.90 3kn6 s ARG 441 Ca -0.04 -1.37 -0.23 0.00 -0.52 0.00 0.00 55.73 53.57 3kn6 s ARG 441 Cb -0.15 -1.01 -0.08 0.00 0.52 0.00 0.00 34.95 34.23 3kn6 s ARG 441 CO -0.01 0.18 1.09 0.21 0.02 0.00 0.00 175.30 176.79 3kn6 s LYS 442 N -3.02 3.94 0.16 3.54 2.20 -1.26 -0.19 119.74 125.11 3kn6 s LYS 442 Ca 0.14 1.57 -0.07 0.00 -0.36 0.00 0.00 55.97 57.24 3kn6 s LYS 442 Cb -0.03 -2.40 -0.01 0.00 -1.51 0.00 0.00 37.83 33.88 3kn6 s LYS 442 CO 0.04 -0.35 0.25 0.00 -0.36 0.00 0.00 175.35 174.93 3kn6 s VAL 444 N -3.99 1.31 -0.13 0.00 1.01 -0.54 -0.45 120.40 117.61 3kn6 s VAL 444 Ca 0.20 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 3kn6 s VAL 444 Cb 0.04 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3kn6 s VAL 444 CO 0.01 0.39 1.50 -2.28 0.00 0.00 0.00 175.10 174.73 3kn6 s HIS 445 N 0.46 2.32 0.05 5.22 2.46 0.11 -0.94 115.29 124.96 3kn6 s HIS 445 Ca -0.12 0.56 -0.15 0.00 0.47 0.00 0.00 55.06 55.81 3kn6 s HIS 445 Cb -0.15 -3.79 -0.07 0.00 -0.13 0.00 0.00 32.58 28.45 3kn6 s HIS 445 CO 0.04 -2.87 1.24 0.87 -2.47 0.00 0.00 174.74 171.55 3kn6 h LYS 446 N 9.31 -0.32 -0.86 2.88 1.57 -1.26 1.70 116.57 129.59 3kn6 h LYS 446 Ca -0.33 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 3kn6 h LYS 446 Cb 1.14 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 3kn6 h LYS 446 CO 0.97 -0.22 0.42 0.87 -0.57 0.00 0.00 179.45 180.92 3kn6 h LYS 447 N -0.34 1.23 0.00 3.15 6.56 -1.93 -3.18 116.57 122.08 3kn6 h LYS 447 Ca -0.00 -0.18 -0.23 0.00 -1.06 0.00 0.00 60.65 59.18 3kn6 h LYS 447 Cb 0.34 -0.22 -0.04 0.00 -0.57 0.00 0.00 32.23 31.74 3kn6 h LYS 447 CO -0.13 0.94 -1.35 1.03 -2.06 0.00 0.00 179.45 177.89 3kn6 h SER 448 N 1.22 0.00 0.00 0.86 0.87 -1.89 -3.47 113.55 111.14 3kn6 h SER 448 Ca 0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3kn6 h SER 448 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3kn6 h SER 448 CO -0.04 0.88 0.00 -3.20 -0.53 0.00 0.00 176.83 173.94 3kn6 n ASN 449 N -3.12 -4.45 -4.80 6.23 5.15 0.58 -4.99 115.26 109.86 3kn6 n ASN 449 Ca -0.09 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.55 3kn6 n ASN 449 Cb 0.95 -2.16 -0.04 0.00 -0.53 0.00 0.00 39.78 38.00 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 -1.10 3.91 0.18 1.20 -0.21 -1.25 -4.74 119.66 117.65 3kn6 s GLN 450 Ca 0.00 1.30 -0.14 0.00 0.02 0.00 0.00 55.36 56.54 3kn6 s GLN 450 Cb 0.00 -2.12 -0.07 0.00 1.00 0.00 0.00 33.01 31.82 3kn6 s GLN 450 CO 0.00 -0.33 0.58 0.00 -2.12 0.00 0.00 175.29 173.42 3kn6 s ALA 451 N -2.03 3.55 0.23 6.09 0.00 -1.26 -0.71 121.76 127.63 3kn6 s ALA 451 Ca 0.66 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 3kn6 s ALA 451 Cb -0.14 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 3kn6 s ALA 451 CO 0.18 0.45 0.29 -0.06 0.00 0.00 0.00 175.76 176.62 3kn6 s PHE 452 N -1.57 0.89 -0.07 0.00 0.08 0.40 -4.50 117.98 113.21 3kn6 s PHE 452 Ca 0.41 -1.15 -0.01 0.00 0.12 0.00 0.00 56.93 56.30 3kn6 s PHE 452 Cb -0.14 -0.26 -0.03 0.00 -0.57 0.00 0.00 43.02 42.02 3kn6 s PHE 452 CO 0.20 -0.82 0.01 0.00 -0.10 0.00 0.00 175.22 174.50 3kn6 s ALA 453 N -3.99 3.30 -0.10 5.36 0.00 -0.30 -0.70 121.76 125.34 3kn6 s ALA 453 Ca 0.32 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.49 3kn6 s ALA 453 Cb 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.70 3kn6 s ALA 453 CO 0.12 0.60 -0.21 0.54 0.00 0.00 0.00 175.76 176.82 3kn6 s VAL 454 N -0.93 1.83 -0.30 0.00 0.11 0.73 0.85 120.40 122.69 3kn6 s VAL 454 Ca 0.15 -0.88 -0.14 0.00 -2.93 0.00 0.00 61.98 58.18 3kn6 s VAL 454 Cb -0.11 -1.60 -0.03 0.00 -1.53 0.00 0.00 36.38 33.11 3kn6 s VAL 454 CO 0.04 0.51 0.33 -0.75 -3.33 0.00 0.00 175.10 171.90 3kn6 s LYS 455 N 0.48 3.83 -0.25 1.54 2.20 0.18 -0.94 119.74 126.77 3kn6 s LYS 455 Ca -0.17 -0.22 -0.06 0.00 -0.36 0.00 0.00 55.97 55.16 3kn6 s LYS 455 Cb -0.17 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.41 3kn6 s LYS 455 CO 0.07 -0.35 0.04 0.42 -0.36 0.00 0.00 175.35 175.17 3kn6 s ILE 456 N 1.98 4.05 -0.03 5.43 1.01 0.61 -0.86 121.20 133.39 3kn6 s ILE 456 Ca 0.12 -0.31 0.05 0.00 0.00 0.00 0.00 60.65 60.51 3kn6 s ILE 456 Cb -0.16 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 3kn6 s ILE 456 CO 0.11 0.33 -0.18 -0.63 0.00 0.00 0.00 174.94 174.57 3kn6 s ILE 457 N 1.57 1.48 0.42 2.92 1.01 -0.46 -1.45 121.20 126.69 3kn6 s ILE 457 Ca 0.06 -0.77 -0.25 0.00 0.00 0.00 0.00 60.65 59.69 3kn6 s ILE 457 Cb -0.15 -1.25 -0.08 0.00 0.01 0.00 0.00 42.46 40.99 3kn6 s ILE 457 CO 0.02 0.42 1.25 -0.55 0.00 0.00 0.00 174.94 176.08 3kn6 s SER 458 N -0.18 6.29 0.27 3.58 0.15 -0.43 -0.79 113.70 122.58 3kn6 s SER 458 Ca 0.01 2.53 0.20 0.00 0.70 0.00 0.00 55.95 59.39 3kn6 s SER 458 Cb -0.10 -2.63 1.01 0.00 -1.71 0.00 0.00 66.02 62.59 3kn6 s SER 458 CO 0.01 -0.86 1.62 0.29 1.20 0.00 0.00 173.24 175.51 3kn6 n LYS 459 N -0.04 0.14 -0.29 5.44 4.76 -0.35 -0.69 118.16 127.14 3kn6 n LYS 459 Ca 0.05 0.55 0.21 0.00 -2.87 0.00 0.00 58.31 56.24 3kn6 n LYS 459 Cb 0.45 -1.88 0.51 0.00 -1.84 0.00 0.00 35.03 32.26 3kn6 n LYS 459 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3kn6 h ARG 460 N 0.00 0.40 -0.56 1.97 9.65 -1.90 -1.69 114.38 122.25 3kn6 h ARG 460 Ca 0.00 -0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 58.71 3kn6 h ARG 460 Cb 0.12 -0.09 -0.09 0.00 -1.39 0.00 0.00 29.97 28.53 3kn6 h ARG 460 CO 0.00 0.26 0.14 -1.33 2.80 0.00 0.00 179.97 181.85 3kn6 n MET 461 N -4.56 3.34 -0.34 0.20 2.81 0.13 -4.76 117.12 113.93 3kn6 n MET 461 Ca 0.22 -3.05 -0.01 0.00 -1.81 0.00 0.00 57.70 53.05 3kn6 n MET 461 Cb 0.78 -2.08 0.15 0.00 -0.71 0.00 0.00 33.22 31.36 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 2.30 1.24 -0.56 0.03 4.57 -1.41 -1.44 114.58 119.31 3kn6 h GLU 462 Ca 0.18 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.32 3kn6 h GLU 462 Cb 2.01 -0.28 -0.04 0.00 -0.16 0.00 0.00 28.75 30.28 3kn6 h GLU 462 CO 0.56 0.82 0.32 0.00 -1.18 0.00 0.00 179.01 179.52 3kn6 h ALA 463 N 1.41 0.72 -0.54 2.92 0.00 -1.86 -1.31 119.26 120.62 3kn6 h ALA 463 Ca 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 3kn6 h ALA 463 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3kn6 h ALA 463 CO -0.09 0.02 0.01 -0.97 0.00 0.00 0.00 179.25 178.22 3kn6 h ASN 464 N 0.63 0.87 0.50 0.00 -1.24 -1.68 -2.94 115.58 111.72 3kn6 h ASN 464 Ca 0.23 -0.22 -0.17 0.00 0.71 0.00 0.00 56.30 56.85 3kn6 h ASN 464 Cb 0.07 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 3kn6 h ASN 464 CO -0.12 0.93 -0.75 0.71 -1.29 0.00 0.00 177.43 176.90 3kn6 h THR 465 N 0.84 1.45 -0.96 -3.57 1.35 -0.88 -0.78 112.91 110.36 3kn6 h THR 465 Ca 0.16 -2.34 0.07 0.00 -0.55 0.00 0.00 66.41 63.74 3kn6 h THR 465 Cb 0.48 2.26 -0.06 0.00 -1.73 0.00 0.00 68.15 69.10 3kn6 h THR 465 CO 0.02 0.69 0.62 1.56 -0.25 0.00 0.00 175.52 178.16 3kn6 h GLN 466 N 0.13 1.07 -0.21 4.72 1.08 -1.23 0.33 115.11 121.00 3kn6 h GLN 466 Ca -0.03 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 3kn6 h GLN 466 Cb 1.32 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 28.50 3kn6 h GLN 466 CO 0.11 0.71 0.05 -0.22 -0.95 0.00 0.00 178.83 178.53 3kn6 h LYS 467 N 1.10 0.33 -0.64 1.46 3.11 -1.31 -1.64 116.57 118.98 3kn6 h LYS 467 Ca 0.42 -0.08 0.01 0.00 -2.81 0.00 0.00 60.65 58.19 3kn6 h LYS 467 Cb 0.20 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.35 3kn6 h LYS 467 CO -0.16 0.45 0.42 1.49 -2.81 0.00 0.00 179.45 178.83 3kn6 h GLU 468 N 0.16 0.82 -0.45 1.90 4.81 -0.30 -0.36 114.58 121.16 3kn6 h GLU 468 Ca 0.07 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3kn6 h GLU 468 Cb 0.27 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3kn6 h GLU 468 CO 0.00 0.54 0.16 0.82 -0.73 0.00 0.00 179.01 179.80 3kn6 h ILE 469 N 0.84 1.21 -0.64 2.32 2.04 -0.34 -2.13 117.51 120.81 3kn6 h ILE 469 Ca 0.24 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 3kn6 h ILE 469 Cb -0.06 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3kn6 h ILE 469 CO -0.07 0.25 0.26 0.74 0.00 0.00 0.00 178.15 179.33 3kn6 h THR 470 N 0.59 1.23 -0.33 -0.27 2.02 -0.85 -1.03 112.91 114.26 3kn6 h THR 470 Ca 0.15 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.61 3kn6 h THR 470 Cb 0.23 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3kn6 h THR 470 CO -0.01 0.29 0.21 0.00 0.37 0.00 0.00 175.52 176.38 3kn6 h ALA 471 N 1.11 0.42 -0.76 6.16 0.00 -0.96 0.22 119.26 125.45 3kn6 h ALA 471 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kn6 h ALA 471 Cb 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3kn6 h ALA 471 CO -0.02 -0.13 0.46 -0.07 0.00 0.00 0.00 179.25 179.49 3kn6 h LEU 472 N 0.44 0.92 -0.24 0.00 3.38 -1.09 -2.27 115.31 116.44 3kn6 h LEU 472 Ca 0.13 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 3kn6 h LEU 472 Cb -0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3kn6 h LEU 472 CO -0.04 0.72 -0.89 0.11 0.09 0.00 0.00 178.44 178.42 3kn6 h LYS 473 N 1.04 0.32 -0.73 1.13 1.57 -0.84 -2.30 116.57 116.76 3kn6 h LYS 473 Ca 0.27 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3kn6 h LYS 473 Cb -0.03 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3kn6 h LYS 473 CO -0.05 1.03 0.40 -0.07 -0.57 0.00 0.00 179.45 180.18 3kn6 h LEU 474 N 0.18 0.90 -0.29 2.94 3.38 -0.34 -2.73 115.31 119.35 3kn6 h LEU 474 Ca -0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kn6 h LEU 474 Cb 1.52 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3kn6 h LEU 474 CO 0.15 0.72 -0.18 0.00 0.09 0.00 0.00 178.44 179.22 3kn6 n GLU 476 N -0.92 1.70 0.00 0.00 2.13 -0.87 -3.24 120.64 119.43 3kn6 n GLU 476 Ca 0.13 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.54 3kn6 n GLU 476 Cb 0.31 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 29.91 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 1.42 2.86 3.73 8.31 0.00 -1.26 -5.07 105.19 115.18 3kn6 n GLY 477 Ca 0.09 0.00 -0.41 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 -2.59 3.49 -0.04 1.61 5.65 -1.20 -4.91 115.29 117.31 3kn6 s HIS 478 Ca 0.00 1.47 0.30 0.00 0.25 0.00 0.00 55.06 57.08 3kn6 s HIS 478 Cb 0.00 -3.37 1.42 0.00 -1.18 0.00 0.00 32.58 29.45 3kn6 s HIS 478 CO 0.00 -0.98 1.90 -1.35 -0.65 0.00 0.00 174.74 173.66 3kn6 h PRO 479 N 5.49 0.00 -0.35 2.88 0.11 -1.97 -2.78 132.00 135.39 3kn6 h PRO 479 Ca -0.44 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 3kn6 h PRO 479 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3kn6 h PRO 479 CO 0.75 0.00 -0.00 0.09 -0.21 0.00 0.00 178.00 178.63 3kn6 n ASN 480 N -2.61 3.16 -4.06 -2.05 4.13 -1.26 -4.85 115.26 107.72 3kn6 n ASN 480 Ca -0.00 -3.43 -0.26 0.00 1.68 0.00 0.00 54.58 52.57 3kn6 n ASN 480 Cb 0.16 -0.61 -0.17 0.00 -1.54 0.00 0.00 39.78 37.63 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 -3.07 1.28 0.42 2.41 1.01 -1.05 -1.33 121.20 120.87 3kn6 s ILE 481 Ca 0.44 -0.57 -0.25 0.00 0.00 0.00 0.00 60.65 60.28 3kn6 s ILE 481 Cb 0.38 -1.15 -0.10 0.00 0.01 0.00 0.00 42.46 41.60 3kn6 s ILE 481 CO 0.04 0.38 1.11 0.55 0.00 0.00 0.00 174.94 177.02 3kn6 n VAL 482 N 3.70 2.53 -3.22 2.92 3.14 -0.52 -4.81 118.33 122.08 3kn6 n VAL 482 Ca -0.22 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.27 3kn6 n VAL 482 Cb 0.52 -1.30 -0.06 0.00 -1.06 0.00 0.00 33.84 31.94 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 -2.10 4.25 -0.36 1.45 2.47 -1.26 -4.98 119.74 119.20 3kn6 s LYS 483 Ca 0.63 0.51 -0.24 0.00 -1.56 0.00 0.00 55.97 55.30 3kn6 s LYS 483 Cb -0.54 -3.52 0.01 0.00 -1.46 0.00 0.00 37.83 32.32 3kn6 s LYS 483 CO 0.57 -0.07 0.84 -1.17 0.16 0.00 0.00 175.35 175.67 3kn6 s LEU 484 N 1.37 4.08 -0.15 5.43 2.96 -1.26 -2.29 118.68 128.82 3kn6 s LEU 484 Ca 0.27 0.45 -0.18 0.00 -0.22 0.00 0.00 54.13 54.44 3kn6 s LEU 484 Cb -0.16 -3.12 -0.15 0.00 0.50 0.00 0.00 46.19 43.27 3kn6 s LEU 484 CO 0.11 -0.78 0.30 0.45 -1.32 0.00 0.00 176.35 175.11 3kn6 h HIS 485 N 8.47 0.00 -3.84 5.38 3.86 -1.03 -3.49 115.15 124.50 3kn6 h HIS 485 Ca -0.24 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.84 3kn6 h HIS 485 Cb 1.09 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.38 3kn6 h HIS 485 CO 0.81 0.77 -0.56 -1.21 0.86 0.00 0.00 177.93 178.60 3kn6 s GLU 486 N -2.13 0.54 -0.06 2.45 2.02 -1.09 -5.01 118.70 115.42 3kn6 s GLU 486 Ca -0.17 -0.74 0.06 0.00 0.02 0.00 0.00 54.97 54.13 3kn6 s GLU 486 Cb 0.01 0.21 -0.01 0.00 0.10 0.00 0.00 34.13 34.44 3kn6 s GLU 486 CO 0.44 -0.13 -0.24 0.08 0.02 0.00 0.00 175.26 175.43 3kn6 s VAL 487 N -2.43 2.01 0.12 2.63 1.01 -1.26 -0.35 120.40 122.14 3kn6 s VAL 487 Ca -0.07 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 60.96 3kn6 s VAL 487 Cb -0.02 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3kn6 s VAL 487 CO -0.04 0.56 -0.19 -0.36 0.00 0.00 0.00 175.10 175.07 3kn6 s PHE 488 N -0.06 1.72 -0.03 5.22 0.08 0.02 -4.97 117.98 119.95 3kn6 s PHE 488 Ca -0.06 -0.45 0.03 0.00 0.12 0.00 0.00 56.93 56.56 3kn6 s PHE 488 Cb -0.14 -0.91 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 3kn6 s PHE 488 CO 0.04 0.23 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.27 3kn6 s HIS 489 N -1.60 1.17 0.30 0.36 3.76 -1.26 -0.25 115.29 117.77 3kn6 s HIS 489 Ca 0.09 -0.31 0.03 0.00 -0.15 0.00 0.00 55.06 54.73 3kn6 s HIS 489 Cb -0.08 -0.82 -0.01 0.00 1.11 0.00 0.00 32.58 32.79 3kn6 s HIS 489 CO 0.05 -0.12 0.10 -0.40 -0.85 0.00 0.00 174.74 173.52 3kn6 n ASP 490 N 3.24 1.25 0.23 1.40 3.85 -0.56 -4.52 116.55 121.45 3kn6 n ASP 490 Ca -0.18 -2.57 0.10 0.00 -0.71 0.00 0.00 54.79 51.43 3kn6 n ASP 490 Cb 0.54 0.72 0.55 0.00 -1.35 0.00 0.00 41.12 41.58 3kn6 n ASP 490 CO 0.00 0.00 0.00 1.56 -1.01 0.00 0.00 177.20 177.75 3kn6 h GLN 491 N 0.00 0.00 0.05 0.11 4.20 -2.03 -3.26 115.11 114.18 3kn6 h GLN 491 Ca -0.23 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.10 3kn6 h GLN 491 Cb 0.88 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.61 3kn6 h GLN 491 CO 0.37 0.21 -2.23 1.28 -0.67 0.00 0.00 178.83 177.79 3kn6 n LEU 492 N -3.56 2.72 -4.23 1.46 7.99 -1.26 -4.80 117.00 115.31 3kn6 n LEU 492 Ca -0.01 0.06 -0.15 0.00 -0.01 0.00 0.00 56.01 55.90 3kn6 n LEU 492 Cb 0.35 -0.99 -0.11 0.00 -0.11 0.00 0.00 43.42 42.57 3kn6 n LEU 492 CO 0.33 0.85 -0.42 -1.00 -1.51 0.00 0.00 177.39 175.63 3kn6 s HIS 493 N -2.53 1.25 -0.11 -1.77 3.76 -1.23 -1.21 115.29 113.45 3kn6 s HIS 493 Ca -0.30 -0.66 -0.01 0.00 -0.15 0.00 0.00 55.06 53.93 3kn6 s HIS 493 Cb 0.08 -0.65 -0.03 0.00 1.11 0.00 0.00 32.58 33.10 3kn6 s HIS 493 CO 0.66 0.08 -0.06 0.99 -0.85 0.00 0.00 174.74 175.55 3kn6 s THR 494 N -2.70 3.69 -0.22 1.30 2.01 0.03 -1.49 115.64 118.25 3kn6 s THR 494 Ca 0.11 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 3kn6 s THR 494 Cb -0.01 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.94 3kn6 s THR 494 CO 0.01 0.54 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.06 3kn6 s PHE 495 N -0.16 2.96 -0.38 4.92 0.08 0.65 -1.35 117.98 124.70 3kn6 s PHE 495 Ca 0.02 -1.16 -0.11 0.00 0.12 0.00 0.00 56.93 55.80 3kn6 s PHE 495 Cb -0.13 -2.08 0.04 0.00 -0.57 0.00 0.00 43.02 40.28 3kn6 s PHE 495 CO 0.03 -0.62 0.22 -0.51 -0.10 0.00 0.00 175.22 174.23 3kn6 s LEU 496 N 1.42 4.81 -0.35 -0.37 1.02 -0.04 -0.80 118.68 124.37 3kn6 s LEU 496 Ca 0.04 -1.10 -0.21 0.00 0.02 0.00 0.00 54.13 52.88 3kn6 s LEU 496 Cb -0.15 -2.02 0.00 0.00 0.02 0.00 0.00 46.19 44.05 3kn6 s LEU 496 CO -0.05 -0.42 0.67 -0.69 0.02 0.00 0.00 176.35 175.88 3kn6 s VAL 497 N 1.53 4.86 0.25 -1.59 1.01 0.53 -0.65 120.40 126.34 3kn6 s VAL 497 Ca 0.02 0.68 0.08 0.00 0.00 0.00 0.00 61.98 62.77 3kn6 s VAL 497 Cb -0.20 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3kn6 s VAL 497 CO 0.06 -0.32 0.08 -0.04 0.00 0.00 0.00 175.10 174.87 3kn6 s MET 498 N 2.79 2.57 0.44 2.72 1.00 0.25 -0.34 119.30 128.73 3kn6 s MET 498 Ca 0.26 -1.24 -0.25 0.00 0.00 0.00 0.00 55.69 54.46 3kn6 s MET 498 Cb -0.14 -2.35 -0.08 0.00 0.00 0.00 0.00 34.83 32.26 3kn6 s MET 498 CO 0.15 0.39 1.34 -1.83 0.00 0.00 0.00 175.02 175.06 3kn6 s GLU 499 N -3.68 3.76 -0.32 2.03 -1.05 -0.97 -1.14 118.70 117.33 3kn6 s GLU 499 Ca 0.32 2.21 -0.27 0.00 -0.15 0.00 0.00 54.97 57.08 3kn6 s GLU 499 Cb -0.07 -2.63 0.01 0.00 -0.44 0.00 0.00 34.13 30.99 3kn6 s GLU 499 CO 0.22 -0.68 0.95 -1.17 0.95 0.00 0.00 175.26 175.53 3kn6 s LEU 500 N -2.70 4.00 -0.46 1.83 0.20 -1.26 -4.40 118.68 115.88 3kn6 s LEU 500 Ca 0.60 0.86 -0.16 0.00 0.69 0.00 0.00 54.13 56.13 3kn6 s LEU 500 Cb -0.39 -3.34 0.06 0.00 -0.43 0.00 0.00 46.19 42.09 3kn6 s LEU 500 CO 0.50 -0.77 0.41 -0.76 -0.29 0.00 0.00 176.35 175.43 3kn6 s LEU 501 N 3.36 5.45 0.00 -0.68 1.43 -1.26 -4.94 118.68 122.04 3kn6 s LEU 501 Ca 0.40 -1.19 0.20 0.00 -1.03 0.00 0.00 54.13 52.50 3kn6 s LEU 501 Cb -0.13 -2.22 0.48 0.00 0.03 0.00 0.00 46.19 44.35 3kn6 s LEU 501 CO 0.14 -0.64 1.40 0.59 0.23 0.00 0.00 176.35 178.07 3kn6 n ASN 502 N 5.31 3.49 -0.22 2.29 5.03 -1.23 -4.47 115.26 125.47 3kn6 n ASN 502 Ca -0.11 -1.97 0.14 0.00 0.87 0.00 0.00 54.58 53.51 3kn6 n ASN 502 Cb 0.44 -0.33 0.59 0.00 -1.02 0.00 0.00 39.78 39.46 3kn6 n ASN 502 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kn6 n GLY 503 N 1.32 -0.64 0.00 7.41 0.00 0.80 -4.66 105.19 109.42 3kn6 n GLY 503 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 1.23 -1.46 3.74 -0.02 0.00 -1.25 -4.60 105.19 102.82 3kn6 n GLY 504 Ca 0.16 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.29 2.18 0.14 1.61 2.02 -1.26 -1.31 118.70 119.79 3kn6 s GLU 505 Ca 0.00 1.50 -0.27 0.00 0.02 0.00 0.00 54.97 56.22 3kn6 s GLU 505 Cb 0.00 -1.86 -0.02 0.00 0.10 0.00 0.00 34.13 32.35 3kn6 s GLU 505 CO 0.00 -1.75 1.59 1.25 0.02 0.00 0.00 175.26 176.36 3kn6 h LEU 506 N -0.62 -1.26 -1.22 1.80 5.85 -1.01 -1.12 115.31 117.72 3kn6 h LEU 506 Ca -0.46 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3kn6 h LEU 506 Cb 1.26 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 3kn6 h LEU 506 CO 0.50 -0.38 -0.19 -0.26 -0.34 0.00 0.00 178.44 177.77 3kn6 h PHE 507 N -0.39 0.00 -0.26 1.25 0.04 -1.86 -1.40 116.94 114.31 3kn6 h PHE 507 Ca 0.11 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.75 3kn6 h PHE 507 Cb 0.59 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 3kn6 h PHE 507 CO -0.52 0.19 -0.39 0.93 -0.60 0.00 0.00 178.31 177.92 3kn6 h GLU 508 N 0.00 0.62 -0.23 1.51 4.39 -1.74 -2.07 114.58 117.06 3kn6 h GLU 508 Ca -0.00 -0.31 -0.13 0.00 0.34 0.00 0.00 59.36 59.26 3kn6 h GLU 508 Cb 0.68 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3kn6 h GLU 508 CO 0.02 0.90 -0.37 0.00 -1.16 0.00 0.00 179.01 178.40 3kn6 h ARG 509 N 0.51 0.66 -0.62 2.33 3.08 -0.21 -3.08 114.38 117.05 3kn6 h ARG 509 Ca 0.05 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 3kn6 h ARG 509 Cb 0.90 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 3kn6 h ARG 509 CO 0.08 1.02 0.34 0.82 -1.07 0.00 0.00 179.97 181.15 3kn6 h ILE 510 N 0.36 1.19 0.00 2.04 2.04 -1.32 -2.29 117.51 119.53 3kn6 h ILE 510 Ca 0.02 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 3kn6 h ILE 510 Cb 0.97 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3kn6 h ILE 510 CO 0.09 0.21 -0.11 0.50 0.00 0.00 0.00 178.15 178.83 3kn6 h LYS 511 N 0.87 0.00 0.00 2.37 3.64 -1.29 -2.95 116.57 119.21 3kn6 h LYS 511 Ca 0.22 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 3kn6 h LYS 511 Cb 0.03 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3kn6 h LYS 511 CO -0.04 0.11 -0.74 0.87 -2.27 0.00 0.00 179.45 177.39 3kn6 h LYS 512 N 0.00 0.00 -6.26 1.90 1.57 -1.33 -3.45 116.57 109.00 3kn6 h LYS 512 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3kn6 h LYS 512 Cb 0.27 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3kn6 h LYS 512 CO 0.01 0.14 -0.01 -1.59 -0.57 0.00 0.00 179.45 177.44 3kn6 s LYS 513 N -3.17 4.26 0.10 3.15 -2.85 -1.11 -4.98 119.74 115.13 3kn6 s LYS 513 Ca 0.02 0.79 -0.11 0.00 -1.00 0.00 0.00 55.97 55.67 3kn6 s LYS 513 Cb 0.08 -3.25 -0.16 0.00 -2.06 0.00 0.00 37.83 32.44 3kn6 s LYS 513 CO 0.76 0.61 1.27 -0.22 0.10 0.00 0.00 175.35 177.87 3kn6 h LYS 514 N 4.61 0.68 -5.51 1.78 3.64 -1.87 -3.44 116.57 116.46 3kn6 h LYS 514 Ca -0.49 -0.64 -0.65 0.00 -1.27 0.00 0.00 60.65 57.61 3kn6 h LYS 514 Cb 1.21 0.16 -0.19 0.00 -0.41 0.00 0.00 32.23 33.00 3kn6 h LYS 514 CO 0.64 1.24 -0.64 -1.58 -2.27 0.00 0.00 179.45 176.84 3kn6 s HIS 515 N -3.52 3.08 -0.11 1.91 2.46 -1.26 -4.88 115.29 112.98 3kn6 s HIS 515 Ca -0.09 -0.11 -0.05 0.00 0.47 0.00 0.00 55.06 55.28 3kn6 s HIS 515 Cb 0.08 -1.92 0.05 0.00 -0.13 0.00 0.00 32.58 30.66 3kn6 s HIS 515 CO 0.90 0.13 0.23 0.12 -2.47 0.00 0.00 174.74 173.65 3kn6 s PHE 516 N -0.00 -0.32 0.37 3.88 5.36 -1.26 -5.03 117.98 120.98 3kn6 s PHE 516 Ca 0.02 0.79 0.05 0.00 -0.96 0.00 0.00 56.93 56.82 3kn6 s PHE 516 Cb -0.13 -0.03 -0.06 0.00 -0.34 0.00 0.00 43.02 42.46 3kn6 s PHE 516 CO 0.02 -0.27 0.05 -1.54 -1.46 0.00 0.00 175.22 172.02 3kn6 s SER 517 N 1.72 2.96 0.41 6.13 1.04 -1.26 0.51 113.70 125.20 3kn6 s SER 517 Ca -0.05 -1.42 0.10 0.00 0.48 0.00 0.00 55.95 55.06 3kn6 s SER 517 Cb -0.11 -0.09 0.88 0.00 0.10 0.00 0.00 66.02 66.79 3kn6 s SER 517 CO -0.08 -0.60 1.99 -0.33 0.98 0.00 0.00 173.24 175.20 3kn6 h GLU 518 N 1.94 0.28 -0.26 4.02 5.08 -1.76 -0.72 114.58 123.17 3kn6 h GLU 518 Ca -0.41 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 57.78 3kn6 h GLU 518 Cb 1.25 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3kn6 h GLU 518 CO 0.72 0.32 -0.33 1.79 -1.00 0.00 0.00 179.01 180.51 3kn6 h THR 519 N 0.28 1.29 -0.15 1.13 1.35 -1.82 0.32 112.91 115.31 3kn6 h THR 519 Ca 0.07 -1.45 -0.16 0.00 -0.55 0.00 0.00 66.41 64.32 3kn6 h THR 519 Cb 0.20 1.45 0.01 0.00 -1.73 0.00 0.00 68.15 68.08 3kn6 h THR 519 CO 0.00 0.46 -0.55 -0.33 -0.25 0.00 0.00 175.52 174.86 3kn6 h GLU 520 N 0.47 0.63 -0.58 4.72 5.08 -1.65 -2.89 114.58 120.35 3kn6 h GLU 520 Ca 0.05 -0.48 -0.05 0.00 -1.00 0.00 0.00 59.36 57.88 3kn6 h GLU 520 Cb 0.81 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 3kn6 h GLU 520 CO 0.07 1.10 0.17 0.00 -1.00 0.00 0.00 179.01 179.35 3kn6 h ALA 521 N 0.53 1.20 -0.20 3.43 0.00 -0.99 -2.27 119.26 120.95 3kn6 h ALA 521 Ca -0.03 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3kn6 h ALA 521 Cb 1.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3kn6 h ALA 521 CO 0.12 0.56 -0.41 1.03 0.00 0.00 0.00 179.25 180.54 3kn6 h SER 522 N 0.86 0.49 -0.30 0.00 0.87 -0.99 0.46 113.55 114.94 3kn6 h SER 522 Ca 0.19 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3kn6 h SER 522 Cb 0.27 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3kn6 h SER 522 CO -0.01 0.85 0.18 0.22 -0.53 0.00 0.00 176.83 177.54 3kn6 h TYR 523 N 0.38 0.39 -0.14 2.24 3.20 -1.26 0.91 116.97 122.70 3kn6 h TYR 523 Ca 0.03 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3kn6 h TYR 523 Cb 0.88 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 3kn6 h TYR 523 CO 0.03 0.30 0.02 0.82 -1.64 0.00 0.00 178.16 177.68 3kn6 h ILE 524 N 0.38 1.23 -0.79 1.81 2.04 -1.26 -3.05 117.51 117.85 3kn6 h ILE 524 Ca 0.11 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.29 3kn6 h ILE 524 Cb 0.02 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 3kn6 h ILE 524 CO -0.02 0.22 0.52 -0.03 0.00 0.00 0.00 178.15 178.84 3kn6 h MET 525 N 0.01 0.89 -0.85 2.37 4.05 -0.74 -1.45 114.93 119.20 3kn6 h MET 525 Ca 0.04 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3kn6 h MET 525 Cb 0.31 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 30.87 3kn6 h MET 525 CO 0.00 0.59 0.52 -0.09 0.23 0.00 0.00 176.91 178.16 3kn6 h ARG 526 N 0.91 1.15 -0.45 0.39 2.43 -0.77 0.56 114.38 118.61 3kn6 h ARG 526 Ca 0.33 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 3kn6 h ARG 526 Cb 0.15 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3kn6 h ARG 526 CO -0.11 0.80 0.05 0.87 -1.51 0.00 0.00 179.97 180.07 3kn6 h LYS 527 N 1.17 0.75 -0.40 0.20 1.57 -1.19 -1.31 116.57 117.37 3kn6 h LYS 527 Ca 0.31 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3kn6 h LYS 527 Cb -0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3kn6 h LYS 527 CO -0.06 0.79 0.06 -0.07 -0.57 0.00 0.00 179.45 179.60 3kn6 h LEU 528 N 0.61 0.63 -0.61 2.94 3.38 -1.00 -0.78 115.31 120.48 3kn6 h LEU 528 Ca 0.13 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kn6 h LEU 528 Cb 0.42 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3kn6 h LEU 528 CO 0.01 0.74 0.37 0.58 0.09 0.00 0.00 178.44 180.23 3kn6 h VAL 529 N 0.50 1.18 -0.52 1.22 2.07 -0.86 -0.90 116.25 118.94 3kn6 h VAL 529 Ca 0.12 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.27 3kn6 h VAL 529 Cb 0.38 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3kn6 h VAL 529 CO 0.01 0.18 0.32 -1.28 0.02 0.00 0.00 177.57 176.82 3kn6 h SER 530 N 0.83 0.52 -0.05 0.57 0.87 -1.07 0.53 113.55 115.75 3kn6 h SER 530 Ca 0.22 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3kn6 h SER 530 Cb -0.03 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3kn6 h SER 530 CO -0.04 0.37 0.03 0.00 -0.53 0.00 0.00 176.83 176.66 3kn6 h ALA 531 N 1.23 0.07 -0.70 6.23 0.00 -0.77 -1.33 119.26 123.99 3kn6 h ALA 531 Ca 0.21 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3kn6 h ALA 531 Cb 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3kn6 h ALA 531 CO -0.09 -0.42 0.19 0.28 0.00 0.00 0.00 179.25 179.21 3kn6 h VAL 532 N 0.04 1.26 -0.51 0.00 2.07 -1.02 -1.09 116.25 117.00 3kn6 h VAL 532 Ca 0.02 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.64 3kn6 h VAL 532 Cb 0.03 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 3kn6 h VAL 532 CO -0.00 0.36 0.25 -1.28 0.02 0.00 0.00 177.57 176.92 3kn6 h SER 533 N 1.05 0.35 -0.54 0.57 0.87 -0.70 -1.17 113.55 113.97 3kn6 h SER 533 Ca 0.22 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 3kn6 h SER 533 Cb 0.35 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3kn6 h SER 533 CO -0.00 0.24 0.28 -0.74 -0.53 0.00 0.00 176.83 176.08 3kn6 h HIS 534 N 0.49 0.76 -0.15 2.24 6.17 -0.71 -0.57 115.15 123.38 3kn6 h HIS 534 Ca 0.23 -0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.32 3kn6 h HIS 534 Cb 0.15 -0.24 -0.05 0.00 2.52 0.00 0.00 27.41 29.79 3kn6 h HIS 534 CO -0.11 0.57 -0.14 0.52 0.71 0.00 0.00 177.93 179.49 3kn6 h MET 535 N 0.73 -0.15 -0.10 5.26 2.07 -0.84 -2.07 114.93 119.82 3kn6 h MET 535 Ca 0.19 0.01 -0.07 0.00 -2.07 0.00 0.00 59.70 57.75 3kn6 h MET 535 Cb 0.08 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 29.83 3kn6 h MET 535 CO -0.03 -0.10 -0.28 0.45 1.07 0.00 0.00 176.91 178.03 3kn6 h HIS 536 N -0.16 0.20 0.00 -0.22 3.86 -1.01 0.22 115.15 118.03 3kn6 h HIS 536 Ca 0.10 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.20 3kn6 h HIS 536 Cb 0.30 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 3kn6 h HIS 536 CO -0.26 0.45 -0.32 0.22 0.86 0.00 0.00 177.93 178.88 3kn6 h ASP 537 N 0.16 0.00 -0.56 2.45 3.58 -0.50 -2.76 116.42 118.79 3kn6 h ASP 537 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3kn6 h ASP 537 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 3kn6 h ASP 537 CO 0.04 0.32 0.00 1.33 -2.88 0.00 0.00 179.24 178.05 3kn6 n VAL 538 N -4.08 1.92 -1.91 2.25 0.24 -0.83 -4.95 118.33 110.96 3kn6 n VAL 538 Ca -0.02 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.98 3kn6 n VAL 538 Cb 0.37 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 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 0.78 0.70 3.05 7.63 0.00 -1.00 -4.92 105.19 111.44 3kn6 n GLY 539 Ca 0.24 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.30 1.33 -0.08 1.61 1.01 0.02 -0.30 120.40 121.69 3kn6 s VAL 540 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3kn6 s VAL 540 Cb 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3kn6 s VAL 540 CO 0.00 0.40 -0.10 0.68 0.00 0.00 0.00 175.10 176.08 3kn6 s VAL 541 N 0.72 3.38 -0.13 2.92 -7.23 -0.34 -2.98 120.40 116.74 3kn6 s VAL 541 Ca -0.13 -0.59 -0.25 0.00 -1.81 0.00 0.00 61.98 59.20 3kn6 s VAL 541 Cb -0.16 -2.37 -0.26 0.00 0.56 0.00 0.00 36.38 34.15 3kn6 s VAL 541 CO 0.03 0.58 0.68 -0.74 -0.31 0.00 0.00 175.10 175.33 3kn6 h HIS 542 N 5.58 0.14 0.00 2.82 2.76 -1.91 -0.41 115.15 124.13 3kn6 h HIS 542 Ca -0.43 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 57.63 3kn6 h HIS 542 Cb 1.17 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.13 3kn6 h HIS 542 CO 0.53 1.19 0.00 0.54 -1.30 0.00 0.00 177.93 178.89 3kn6 n ARG 543 N -4.43 0.00 -2.70 5.26 1.74 -1.26 -3.08 116.66 112.20 3kn6 n ARG 543 Ca -0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 3kn6 n ARG 543 Cb 0.62 -2.41 0.05 0.00 -1.02 0.00 0.00 32.46 29.69 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 1.49 -3.25 0.55 2.03 -1.26 -4.99 116.55 111.13 3kn6 n ASP 544 Ca 0.00 -2.02 -0.25 0.00 0.52 0.00 0.00 54.79 53.04 3kn6 n ASP 544 Cb 0.00 -0.46 -0.02 0.00 -0.72 0.00 0.00 41.12 39.92 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 -0.49 4.63 -4.87 -2.67 4.77 -1.26 -4.83 117.00 112.28 3kn6 n LEU 545 Ca 0.07 -2.83 -0.30 0.00 -0.03 0.00 0.00 56.01 52.91 3kn6 n LEU 545 Cb 0.84 -1.08 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 3kn6 n LEU 545 CO 0.06 0.39 0.47 -0.54 -1.33 0.00 0.00 177.39 176.44 3kn6 s LYS 546 N 3.74 3.78 0.36 3.23 1.02 -1.26 -4.80 119.74 125.82 3kn6 s LYS 546 Ca 0.41 0.52 0.16 0.00 0.02 0.00 0.00 55.97 57.08 3kn6 s LYS 546 Cb 0.11 -2.36 1.08 0.00 -0.52 0.00 0.00 37.83 36.14 3kn6 s LYS 546 CO -0.01 -0.08 1.71 -1.35 -0.92 0.00 0.00 175.35 174.70 3kn6 h PRO 547 N 1.15 0.38 0.00 -1.68 0.11 -1.96 0.18 132.00 130.18 3kn6 h PRO 547 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kn6 h PRO 547 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3kn6 h PRO 547 CO 0.63 0.25 0.00 -0.85 -0.21 0.00 0.00 178.00 177.83 3kn6 n GLU 548 N -4.83 0.16 -0.47 1.05 0.28 -1.26 -1.81 120.64 113.76 3kn6 n GLU 548 Ca 0.29 0.42 0.09 0.00 -0.16 0.00 0.00 57.16 57.80 3kn6 n GLU 548 Cb 0.94 -1.82 0.31 0.00 1.43 0.00 0.00 31.44 32.30 3kn6 n GLU 548 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3kn6 n ASN 549 N -2.11 3.98 -4.14 -1.84 5.03 0.63 -4.77 115.26 112.03 3kn6 n ASN 549 Ca 0.02 -2.24 -0.35 0.00 0.87 0.00 0.00 54.58 52.88 3kn6 n ASN 549 Cb 0.20 -0.50 -0.13 0.00 -1.02 0.00 0.00 39.78 38.33 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 -1.42 4.62 0.01 3.41 1.43 -0.75 -1.15 118.68 124.83 3kn6 s LEU 550 Ca 0.45 -1.69 0.06 0.00 -1.03 0.00 0.00 54.13 51.92 3kn6 s LEU 550 Cb 0.27 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 3kn6 s LEU 550 CO 0.25 -0.41 -0.19 -0.76 0.23 0.00 0.00 176.35 175.47 3kn6 s LEU 551 N 1.18 2.51 0.20 1.79 1.02 -0.14 -0.55 118.68 124.69 3kn6 s LEU 551 Ca 0.03 -0.38 -0.14 0.00 0.02 0.00 0.00 54.13 53.65 3kn6 s LEU 551 Cb -0.21 -1.48 -0.07 0.00 0.02 0.00 0.00 46.19 44.45 3kn6 s LEU 551 CO -0.03 0.29 0.60 -0.36 0.02 0.00 0.00 176.35 176.88 3kn6 s PHE 552 N -0.81 3.53 -0.52 0.29 0.08 -0.43 0.29 117.98 120.41 3kn6 s PHE 552 Ca 0.13 1.09 -0.11 0.00 0.12 0.00 0.00 56.93 58.16 3kn6 s PHE 552 Cb -0.10 -2.40 0.13 0.00 -0.57 0.00 0.00 43.02 40.07 3kn6 s PHE 552 CO 0.03 0.33 0.42 0.95 -0.10 0.00 0.00 175.22 176.84 3kn6 s THR 553 N -1.64 4.50 0.00 0.64 -4.23 0.46 -0.14 115.64 115.22 3kn6 s THR 553 Ca 0.43 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 3kn6 s THR 553 Cb -0.14 -3.93 0.00 0.00 1.34 0.00 0.00 72.50 69.78 3kn6 s THR 553 CO 0.20 -0.82 0.14 -0.90 -0.54 0.00 0.00 174.62 172.69 3kn6 n ASP 554 N 4.82 -0.28 -2.92 3.99 3.85 -1.26 -3.27 116.55 121.48 3kn6 n ASP 554 Ca -0.06 -0.18 -0.22 0.00 -0.71 0.00 0.00 54.79 53.62 3kn6 n ASP 554 Cb 0.41 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.16 3kn6 n ASP 554 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3kn6 n LEU 559 N 1.16 2.94 -4.80 -2.12 7.99 -1.26 -4.98 117.00 115.94 3kn6 n LEU 559 Ca 0.00 -5.16 -0.38 0.00 -0.01 0.00 0.00 56.01 50.46 3kn6 n LEU 559 Cb 0.07 -0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.32 3kn6 n LEU 559 CO 0.07 2.23 0.14 -1.61 -1.51 0.00 0.00 177.39 176.70 3kn6 s GLU 560 N -3.09 4.09 0.15 3.23 0.41 -1.20 -5.08 118.70 117.20 3kn6 s GLU 560 Ca 0.43 0.45 -0.19 0.00 -0.41 0.00 0.00 54.97 55.25 3kn6 s GLU 560 Cb 0.34 -3.29 -0.07 0.00 -1.78 0.00 0.00 34.13 29.33 3kn6 s GLU 560 CO -0.11 0.52 0.65 -1.50 -0.49 0.00 0.00 175.26 174.34 3kn6 s ILE 561 N -0.55 4.64 0.00 -1.63 2.07 -1.26 -0.41 121.20 124.07 3kn6 s ILE 561 Ca 0.25 1.25 0.01 0.00 -1.41 0.00 0.00 60.65 60.74 3kn6 s ILE 561 Cb -0.16 -3.89 -0.01 0.00 0.13 0.00 0.00 42.46 38.53 3kn6 s ILE 561 CO 0.13 0.37 -0.04 -0.54 -1.91 0.00 0.00 174.94 172.95 3kn6 s LYS 562 N -1.58 0.31 -0.10 3.50 1.02 0.14 -4.40 119.74 118.64 3kn6 s LYS 562 Ca 0.37 -0.24 -0.19 0.00 0.02 0.00 0.00 55.97 55.93 3kn6 s LYS 562 Cb -0.18 -0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 36.84 3kn6 s LYS 562 CO 0.21 0.06 0.53 0.42 -0.92 0.00 0.00 175.35 175.66 3kn6 s ILE 563 N -0.34 5.13 0.48 2.17 1.01 -0.44 -0.97 121.20 128.25 3kn6 s ILE 563 Ca -0.01 1.08 0.04 0.00 0.00 0.00 0.00 60.65 61.76 3kn6 s ILE 563 Cb -0.03 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 3kn6 s ILE 563 CO -0.00 0.32 0.07 0.27 0.00 0.00 0.00 174.94 175.60 3kn6 s ILE 564 N 0.57 1.54 -0.41 2.92 -4.36 -0.30 -1.44 121.20 119.72 3kn6 s ILE 564 Ca 0.29 -1.91 -0.14 0.00 -0.26 0.00 0.00 60.65 58.63 3kn6 s ILE 564 Cb -0.16 -2.45 0.02 0.00 1.25 0.00 0.00 42.46 41.11 3kn6 s ILE 564 CO 0.13 0.00 0.55 -0.67 0.24 0.00 0.00 174.94 175.18 3kn6 n ASP 565 N -1.24 -7.39 -1.44 4.36 -0.08 -1.26 -4.91 116.55 104.58 3kn6 n ASP 565 Ca -0.12 0.45 -0.00 0.00 -1.51 0.00 0.00 54.79 53.61 3kn6 n ASP 565 Cb 0.66 -4.99 0.21 0.00 2.34 0.00 0.00 41.12 39.35 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 -0.40 1.40 0.15 -0.67 3.01 -1.26 -4.47 117.46 115.21 3kn6 n PHE 566 Ca 0.10 -0.64 0.13 0.00 1.01 0.00 0.00 57.45 58.05 3kn6 n PHE 566 Cb 0.42 -0.43 0.66 0.00 -0.01 0.00 0.00 39.48 40.12 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 3.89 0.01 -2.30 1.37 0.00 -1.91 -1.88 103.07 102.25 3kn6 h GLY 567 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3kn6 h GLY 567 CO 0.39 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.62 3kn6 n PHE 568 N -4.47 0.69 -0.83 5.60 3.72 -1.26 -4.88 117.46 116.02 3kn6 n PHE 568 Ca 0.02 -0.38 -0.31 0.00 -0.05 0.00 0.00 57.45 56.74 3kn6 n PHE 568 Cb 0.30 -0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.00 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 -1.19 1.41 0.05 4.37 0.00 -0.71 -4.67 121.76 121.02 3kn6 s ALA 569 Ca 0.40 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.81 3kn6 s ALA 569 Cb 0.22 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 3kn6 s ALA 569 CO 0.30 -2.66 -0.15 1.03 0.00 0.00 0.00 175.76 174.28 3kn6 s ARG 570 N -4.70 0.96 -0.10 0.00 1.81 -0.16 -4.96 118.95 111.80 3kn6 s ARG 570 Ca 0.66 -0.82 -0.04 0.00 -1.72 0.00 0.00 55.73 53.80 3kn6 s ARG 570 Cb -0.21 -0.99 -0.04 0.00 -0.45 0.00 0.00 34.95 33.26 3kn6 s ARG 570 CO 0.58 0.24 0.08 -0.51 -0.68 0.00 0.00 175.30 175.01 3kn6 s LEU 571 N -1.26 4.02 0.17 2.53 1.43 -1.26 -1.20 118.68 123.11 3kn6 s LEU 571 Ca 0.02 0.31 -0.31 0.00 -1.03 0.00 0.00 54.13 53.12 3kn6 s LEU 571 Cb -0.08 -1.98 -0.10 0.00 0.03 0.00 0.00 46.19 44.06 3kn6 s LEU 571 CO 0.02 0.39 1.50 -0.75 0.23 0.00 0.00 176.35 177.74 3kn6 s LYS 572 N -1.02 4.25 0.02 1.70 2.20 0.59 -4.72 119.74 122.77 3kn6 s LYS 572 Ca 0.15 2.28 -0.30 0.00 -0.36 0.00 0.00 55.97 57.74 3kn6 s LYS 572 Cb -0.12 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 3kn6 s LYS 572 CO 0.04 -0.53 1.16 -1.25 -0.36 0.00 0.00 175.35 174.41 3kn6 s PRO 573 N 0.86 4.43 0.00 4.03 0.04 -1.26 -5.04 135.00 138.06 3kn6 s PRO 573 Ca 0.67 1.68 0.03 0.00 0.04 0.00 0.00 61.00 63.42 3kn6 s PRO 573 Cb -0.42 -3.42 0.19 0.00 0.04 0.00 0.00 34.50 30.89 3kn6 s PRO 573 CO 0.33 -0.27 0.65 -2.30 0.04 0.00 0.00 177.00 175.45 3kn6 n PRO 574 N 4.27 0.48 -4.81 0.56 -0.02 -1.26 -5.23 135.00 128.99 3kn6 n PRO 574 Ca 0.09 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.30 3kn6 n PRO 574 Cb 0.47 -1.10 -0.17 0.00 -0.02 0.00 0.00 33.50 32.68 3kn6 n PRO 574 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3kn6 s ASN 597 N -1.62 2.20 0.00 2.55 2.47 -1.26 -5.32 114.94 113.96 3kn6 s ASN 597 Ca 0.05 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 52.95 3kn6 s ASN 597 Cb 0.02 -0.92 0.00 0.00 -1.45 0.00 0.00 41.25 38.90 3kn6 s ASN 597 CO 0.04 0.09 0.00 0.61 -3.72 0.00 0.00 177.10 174.12 3kn6 n GLY 598 N 3.58 0.76 3.55 1.21 0.00 -1.26 -4.96 105.19 108.07 3kn6 n GLY 598 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.77 1.62 -0.25 1.61 5.04 -1.26 -4.89 117.35 116.45 3kn6 s TYR 599 Ca 0.00 0.85 -0.02 0.00 -2.44 0.00 0.00 57.07 55.46 3kn6 s TYR 599 Cb 0.00 -4.02 0.08 0.00 0.35 0.00 0.00 41.96 38.37 3kn6 s TYR 599 CO 0.00 -2.20 0.07 0.34 -1.34 0.00 0.00 175.55 172.42 3kn6 s ASP 600 N 8.52 3.40 0.37 4.32 -1.08 -1.26 -5.00 116.67 125.93 3kn6 s ASP 600 Ca 0.71 -1.17 0.27 0.00 -0.52 0.00 0.00 52.55 51.84 3kn6 s ASP 600 Cb -0.12 -0.68 1.07 0.00 -1.46 0.00 0.00 42.92 41.74 3kn6 s ASP 600 CO 0.17 -0.36 1.81 -0.33 0.52 0.00 0.00 175.17 176.98 3kn6 h GLU 601 N 8.20 0.00 0.00 4.34 5.08 -1.99 -2.85 114.58 127.37 3kn6 h GLU 601 Ca -0.16 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 3kn6 h GLU 601 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3kn6 h GLU 601 CO 0.40 0.00 -0.44 0.66 -1.00 0.00 0.00 179.01 178.63 3kn6 h SER 602 N 0.00 0.00 -0.21 1.42 4.64 -1.99 -3.16 113.55 114.24 3kn6 h SER 602 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3kn6 h SER 602 Cb 0.48 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.51 3kn6 h SER 602 CO 0.00 0.44 -0.18 0.00 -0.87 0.00 0.00 176.83 176.22 3kn6 h ASP 604 N -0.19 0.10 -0.17 0.00 3.32 -1.74 -1.96 116.42 115.77 3kn6 h ASP 604 Ca 0.13 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3kn6 h ASP 604 Cb 0.38 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3kn6 h ASP 604 CO -0.32 0.33 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.36 3kn6 h LEU 605 N 0.10 0.38 -0.76 1.55 3.38 -1.42 -2.25 115.31 116.29 3kn6 h LEU 605 Ca 0.02 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.59 3kn6 h LEU 605 Cb 0.46 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3kn6 h LEU 605 CO 0.03 0.72 0.49 -0.25 0.09 0.00 0.00 178.44 179.52 3kn6 h TRP 606 N 0.04 0.91 -0.64 1.13 7.01 -0.98 -2.52 115.95 120.91 3kn6 h TRP 606 Ca 0.04 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.08 3kn6 h TRP 606 Cb 0.59 -0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 27.31 3kn6 h TRP 606 CO 0.07 0.53 0.41 0.77 -2.79 0.00 0.00 178.44 177.43 3kn6 h SER 607 N 0.96 0.68 -0.41 2.65 0.02 -1.28 -0.69 113.55 115.49 3kn6 h SER 607 Ca 0.30 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.25 3kn6 h SER 607 Cb -0.01 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3kn6 h SER 607 CO -0.10 0.48 0.27 -0.07 -1.14 0.00 0.00 176.83 176.27 3kn6 h LEU 608 N 0.81 0.45 -0.37 5.07 3.38 -1.07 -0.40 115.31 123.18 3kn6 h LEU 608 Ca 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3kn6 h LEU 608 Cb -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3kn6 h LEU 608 CO -0.08 0.32 0.14 1.23 0.09 0.00 0.00 178.44 180.15 3kn6 h GLY 609 N 0.53 0.60 0.84 0.83 0.00 -0.74 -0.99 103.07 104.15 3kn6 h GLY 609 Ca 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3kn6 h GLY 609 CO -0.03 0.31 0.03 -2.08 0.00 0.00 0.00 176.54 174.77 3kn6 h VAL 610 N 0.45 1.16 -0.60 4.60 2.07 -0.60 -0.58 116.25 122.76 3kn6 h VAL 610 Ca 0.12 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.26 3kn6 h VAL 610 Cb 0.20 1.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 3kn6 h VAL 610 CO -0.01 0.14 0.18 0.40 0.02 0.00 0.00 177.57 178.30 3kn6 h ILE 611 N -0.03 0.71 -0.30 4.57 2.04 -1.07 -1.46 117.51 121.98 3kn6 h ILE 611 Ca 0.03 -0.12 -0.16 0.00 1.00 0.00 0.00 64.86 65.61 3kn6 h ILE 611 Cb 0.19 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3kn6 h ILE 611 CO -0.00 0.06 -0.46 0.25 0.00 0.00 0.00 178.15 178.00 3kn6 h LEU 612 N 0.34 0.85 0.02 1.44 5.85 -1.01 -0.16 115.31 122.64 3kn6 h LEU 612 Ca 0.31 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.64 3kn6 h LEU 612 Cb 0.42 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3kn6 h LEU 612 CO -0.35 1.18 -0.19 0.22 -0.34 0.00 0.00 178.44 178.96 3kn6 h TYR 613 N 0.62 -0.49 -0.43 1.25 5.03 -0.75 -1.84 116.97 120.36 3kn6 h TYR 613 Ca 0.04 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.26 3kn6 h TYR 613 Cb 1.03 0.22 -0.02 0.00 1.55 0.00 0.00 36.73 39.51 3kn6 h TYR 613 CO 0.06 -0.27 -0.16 1.15 -1.32 0.00 0.00 178.16 177.62 3kn6 h THR 614 N -0.32 1.26 -0.75 1.81 2.02 -1.23 -2.58 112.91 113.13 3kn6 h THR 614 Ca 0.05 -1.25 0.08 0.00 0.77 0.00 0.00 66.41 66.06 3kn6 h THR 614 Cb 0.38 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 3kn6 h THR 614 CO -0.16 0.42 0.49 0.24 0.37 0.00 0.00 175.52 176.88 3kn6 h MET 615 N 0.71 0.70 0.00 6.66 2.86 -0.76 0.27 114.93 125.38 3kn6 h MET 615 Ca 0.11 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3kn6 h MET 615 Cb 0.66 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 3kn6 h MET 615 CO 0.05 0.47 -0.90 -0.07 1.06 0.00 0.00 176.91 177.51 3kn6 h LEU 616 N 0.73 0.00 0.00 1.22 3.38 -1.13 -3.41 115.31 116.09 3kn6 h LEU 616 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3kn6 h LEU 616 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3kn6 h LEU 616 CO -0.12 0.00 -0.79 -1.54 0.09 0.00 0.00 178.44 176.08 3kn6 n SER 617 N -2.72 3.97 0.00 -0.43 3.41 -0.99 -4.54 113.62 112.31 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 0.55 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 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 2.14 0.45 3.72 5.00 0.00 0.93 -4.27 105.19 113.16 3kn6 n GLY 618 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.50 2.19 -0.18 1.61 -0.21 -1.26 -4.68 119.66 116.63 3kn6 s GLN 619 Ca 0.00 -1.84 -0.04 0.00 0.02 0.00 0.00 55.36 53.50 3kn6 s GLN 619 Cb 0.00 -1.95 -0.02 0.00 1.00 0.00 0.00 33.01 32.03 3kn6 s GLN 619 CO 0.00 -0.07 -0.03 0.08 -2.12 0.00 0.00 175.29 173.15 3kn6 s VAL 620 N -2.59 3.82 0.68 1.09 1.01 -1.26 -3.71 120.40 119.44 3kn6 s VAL 620 Ca 0.40 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 3kn6 s VAL 620 Cb 0.04 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.73 3kn6 s VAL 620 CO 0.22 0.46 1.19 -2.16 0.00 0.00 0.00 175.10 174.81 3kn6 s PRO 621 N 0.71 2.48 0.00 2.72 0.04 -1.26 -2.13 135.00 137.55 3kn6 s PRO 621 Ca -0.01 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.73 3kn6 s PRO 621 Cb -0.14 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3kn6 s PRO 621 CO 0.02 -1.56 0.00 1.19 0.04 0.00 0.00 177.00 176.69 3kn6 n PHE 622 N -2.38 0.00 -0.62 0.56 3.72 -1.26 -5.03 117.46 112.45 3kn6 n PHE 622 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3kn6 n PHE 622 Cb 0.50 -1.24 0.00 0.00 -0.94 0.00 0.00 39.48 37.80 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 -1.10 0.00 -3.70 -1.08 6.02 -0.91 -4.82 117.38 111.79 3kn6 n GLN 623 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 3kn6 n GLN 623 Cb 0.17 -0.35 -0.05 0.00 1.02 0.00 0.00 30.24 31.04 3kn6 n GLN 623 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kn6 n THR 632 N -0.20 0.00 -1.08 0.00 -2.24 -1.26 -5.03 114.28 104.47 3kn6 n THR 632 Ca -0.15 -0.22 -0.33 0.00 -2.27 0.00 0.00 64.05 61.07 3kn6 n THR 632 Cb 0.63 -1.13 0.13 0.00 -2.10 0.00 0.00 70.33 67.86 3kn6 n THR 632 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kn6 n SER 633 N -3.80 0.81 0.07 3.42 2.88 -1.26 -4.85 113.62 110.89 3kn6 n SER 633 Ca 0.07 0.57 -0.11 0.00 -1.33 0.00 0.00 58.87 58.06 3kn6 n SER 633 Cb 0.26 -1.49 -0.05 0.00 -0.75 0.00 0.00 64.21 62.18 3kn6 n SER 633 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kn6 h ALA 634 N -0.95 -0.23 -0.10 -1.46 0.00 -1.96 -1.58 119.26 112.99 3kn6 h ALA 634 Ca -0.46 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 3kn6 h ALA 634 Cb 1.30 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3kn6 h ALA 634 CO 0.45 -0.67 -0.33 -0.39 0.00 0.00 0.00 179.25 178.31 3kn6 h VAL 635 N -0.29 1.27 -0.29 0.00 -1.51 -1.97 0.76 116.25 114.21 3kn6 h VAL 635 Ca 0.04 -1.28 -0.17 0.00 -1.23 0.00 0.00 66.70 64.06 3kn6 h VAL 635 Cb 0.34 1.57 -0.00 0.00 -2.13 0.00 0.00 31.29 31.07 3kn6 h VAL 635 CO -0.14 0.38 -0.49 -0.33 -1.23 0.00 0.00 177.57 175.76 3kn6 h GLU 636 N 0.16 0.82 -0.15 5.19 4.39 -1.87 0.37 114.58 123.48 3kn6 h GLU 636 Ca 0.02 -0.48 -0.02 0.00 0.34 0.00 0.00 59.36 59.22 3kn6 h GLU 636 Cb 0.67 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 3kn6 h GLU 636 CO 0.05 1.12 0.03 0.82 -1.16 0.00 0.00 179.01 179.87 3kn6 h ILE 637 N 0.64 1.21 -0.83 3.13 2.04 -1.01 -2.86 117.51 119.83 3kn6 h ILE 637 Ca 0.03 -0.67 0.08 0.00 1.00 0.00 0.00 64.86 65.30 3kn6 h ILE 637 Cb 1.08 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 38.46 3kn6 h ILE 637 CO 0.11 0.20 0.49 -0.03 0.00 0.00 0.00 178.15 178.92 3kn6 h MET 638 N 0.03 0.82 -0.87 2.37 4.05 -0.72 0.21 114.93 120.82 3kn6 h MET 638 Ca 0.05 -0.05 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 3kn6 h MET 638 Cb 0.28 -0.19 -0.05 0.00 -0.80 0.00 0.00 31.60 30.84 3kn6 h MET 638 CO 0.00 0.54 0.57 -0.22 0.23 0.00 0.00 176.91 178.04 3kn6 h LYS 639 N 0.85 1.01 0.05 0.39 3.64 -0.83 -0.87 116.57 120.80 3kn6 h LYS 639 Ca 0.39 -0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 59.43 3kn6 h LYS 639 Cb 0.29 -0.23 0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3kn6 h LYS 639 CO -0.22 0.67 -1.11 0.87 -2.27 0.00 0.00 179.45 177.38 3kn6 h LYS 640 N 1.04 0.64 0.29 1.90 1.57 -0.90 -3.08 116.57 118.02 3kn6 h LYS 640 Ca 0.36 -0.75 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3kn6 h LYS 640 Cb 0.11 0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3kn6 h LYS 640 CO -0.12 1.33 -0.43 0.82 -0.57 0.00 0.00 179.45 180.48 3kn6 h ILE 641 N 0.33 0.00 0.00 1.86 2.04 0.09 0.20 117.51 122.03 3kn6 h ILE 641 Ca -0.15 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3kn6 h ILE 641 Cb 1.77 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3kn6 h ILE 641 CO 0.21 0.00 0.00 2.29 0.00 0.00 0.00 178.15 180.65 3kn6 n LYS 642 N -4.96 0.04 0.00 2.37 2.85 -0.40 -0.78 118.16 117.28 3kn6 n LYS 642 Ca -0.09 0.51 0.08 0.00 -1.05 0.00 0.00 58.31 57.76 3kn6 n LYS 642 Cb 0.37 -1.62 0.02 0.00 -0.65 0.00 0.00 35.03 33.14 3kn6 n LYS 642 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3kn6 n LYS 643 N -1.71 1.59 -1.99 -1.58 4.81 -0.49 -4.97 118.16 113.83 3kn6 n LYS 643 Ca 0.00 -0.99 -0.15 0.00 -0.87 0.00 0.00 58.31 56.31 3kn6 n LYS 643 Cb 0.03 -1.27 -0.03 0.00 0.02 0.00 0.00 35.03 33.78 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 1.06 0.36 3.35 3.14 0.00 0.37 -4.91 105.19 108.56 3kn6 n GLY 644 Ca 0.07 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.64 5.04 -4.17 1.61 2.03 0.41 -4.91 116.55 115.91 3kn6 n ASP 645 Ca -0.16 -2.98 -0.20 0.00 0.52 0.00 0.00 54.79 51.97 3kn6 n ASP 645 Cb 0.58 -1.61 -0.13 0.00 -0.72 0.00 0.00 41.12 39.25 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 2.13 1.32 0.15 -0.67 -0.71 -1.26 -4.35 117.98 114.58 3kn6 s PHE 646 Ca 0.45 -0.40 0.05 0.00 -1.04 0.00 0.00 56.93 55.99 3kn6 s PHE 646 Cb 0.02 -0.76 -0.04 0.00 -1.21 0.00 0.00 43.02 41.03 3kn6 s PHE 646 CO 0.02 0.06 -0.11 -1.12 -1.34 0.00 0.00 175.22 172.73 3kn6 s SER 647 N -1.42 1.88 -0.72 1.98 0.01 -1.26 -4.99 113.70 109.17 3kn6 s SER 647 Ca 0.01 -0.99 0.04 0.00 1.31 0.00 0.00 55.95 56.32 3kn6 s SER 647 Cb -0.09 -0.03 0.26 0.00 0.21 0.00 0.00 66.02 66.38 3kn6 s SER 647 CO 0.02 -0.30 0.90 0.49 0.41 0.00 0.00 173.24 174.76 3kn6 n PHE 648 N -0.13 3.41 -4.38 2.43 3.72 -1.26 -4.95 117.46 116.30 3kn6 n PHE 648 Ca -0.11 -3.86 -0.24 0.00 -0.05 0.00 0.00 57.45 53.19 3kn6 n PHE 648 Cb 0.60 -0.69 -0.09 0.00 -0.94 0.00 0.00 39.48 38.37 3kn6 n PHE 648 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3kn6 s GLU 649 N -2.59 1.93 0.00 -1.08 2.56 -1.26 -4.79 118.70 113.47 3kn6 s GLU 649 Ca 0.39 -1.57 0.00 0.00 0.00 0.00 0.00 54.97 53.79 3kn6 s GLU 649 Cb 0.14 -1.96 0.00 0.00 2.00 0.00 0.00 34.13 34.30 3kn6 s GLU 649 CO 0.01 0.36 0.00 0.41 -0.56 0.00 0.00 175.26 175.48 3kn6 n GLY 650 N -0.57 -0.13 0.35 -1.50 0.00 -1.26 -4.37 105.19 97.70 3kn6 n GLY 650 Ca -0.07 -1.85 0.06 0.00 0.00 0.00 0.00 46.02 44.16 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 0.73 0.00 1.61 4.11 -2.01 -2.40 114.58 116.62 3kn6 h GLU 651 Ca 0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.35 3kn6 h GLU 651 Cb 0.00 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 3kn6 h GLU 651 CO 0.00 0.48 -0.16 0.00 0.07 0.00 0.00 179.01 179.40 3kn6 h ALA 652 N 1.62 1.39 0.00 1.06 0.00 -1.91 -2.92 119.26 118.50 3kn6 h ALA 652 Ca 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kn6 h ALA 652 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kn6 h ALA 652 CO -0.09 0.21 -1.10 0.91 0.00 0.00 0.00 179.25 179.18 3kn6 n TRP 653 N -3.86 0.00 -0.13 0.00 7.02 -0.93 -4.66 117.44 114.89 3kn6 n TRP 653 Ca -0.02 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.42 3kn6 n TRP 653 Cb 0.26 -0.10 0.03 0.00 -2.42 0.00 0.00 31.31 29.08 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 0.00 0.10 -0.20 -0.99 3.64 -1.29 -2.50 116.57 115.34 3kn6 h LYS 654 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3kn6 h LYS 654 Cb 0.53 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3kn6 h LYS 654 CO 0.00 0.06 0.00 0.09 -2.27 0.00 0.00 179.45 177.33 3kn6 n ASN 655 N -5.21 2.81 -4.74 4.20 5.03 -1.26 -4.94 115.26 111.15 3kn6 n ASN 655 Ca 0.03 -1.90 -0.41 0.00 0.87 0.00 0.00 54.58 53.17 3kn6 n ASN 655 Cb 0.22 -0.12 -0.03 0.00 -1.02 0.00 0.00 39.78 38.83 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 -1.76 3.48 0.55 2.41 1.01 -0.94 -4.98 120.40 120.16 3kn6 s VAL 656 Ca 0.34 1.25 -0.21 0.00 0.00 0.00 0.00 61.98 63.37 3kn6 s VAL 656 Cb 0.21 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 3kn6 s VAL 656 CO 0.30 0.21 1.15 -1.54 0.00 0.00 0.00 175.10 175.22 3kn6 n SER 657 N 2.41 1.71 0.10 3.32 3.41 -1.26 -4.89 113.62 118.42 3kn6 n SER 657 Ca 0.04 0.92 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 3kn6 n SER 657 Cb 0.44 -1.47 0.30 0.00 -0.26 0.00 0.00 64.21 63.23 3kn6 n SER 657 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3kn6 h GLN 658 N 1.07 0.27 -0.68 4.33 5.75 -1.98 -2.58 115.11 121.29 3kn6 h GLN 658 Ca -0.49 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 57.86 3kn6 h GLN 658 Cb 1.33 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.83 3kn6 h GLN 658 CO 0.55 0.51 0.19 0.93 -2.65 0.00 0.00 178.83 178.35 3kn6 h GLU 659 N 0.24 1.06 -0.33 1.69 3.07 -1.99 0.49 114.58 118.81 3kn6 h GLU 659 Ca 0.04 -0.23 -0.07 0.00 -0.50 0.00 0.00 59.36 58.60 3kn6 h GLU 659 Cb 0.58 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 3kn6 h GLU 659 CO 0.04 0.92 -0.07 0.00 -1.40 0.00 0.00 179.01 178.50 3kn6 h ALA 660 N 1.19 0.45 -0.71 3.43 0.00 -1.85 -1.86 119.26 119.91 3kn6 h ALA 660 Ca 0.22 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3kn6 h ALA 660 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3kn6 h ALA 660 CO -0.00 0.28 0.23 0.87 0.00 0.00 0.00 179.25 180.62 3kn6 h LYS 661 N 0.41 1.10 -0.38 0.00 1.57 -1.18 -1.50 116.57 116.59 3kn6 h LYS 661 Ca 0.08 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 3kn6 h LYS 661 Cb 0.56 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3kn6 h LYS 661 CO 0.03 0.93 -0.11 -0.44 -0.57 0.00 0.00 179.45 179.29 3kn6 h ASP 662 N 1.06 0.65 -0.16 0.86 3.32 -0.82 0.07 116.42 121.40 3kn6 h ASP 662 Ca 0.23 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3kn6 h ASP 662 Cb 0.29 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3kn6 h ASP 662 CO -0.01 0.79 0.05 0.25 -1.72 0.00 0.00 179.24 178.60 3kn6 h LEU 663 N 0.60 0.24 -0.74 1.55 5.85 -0.87 -1.97 115.31 119.96 3kn6 h LEU 663 Ca 0.11 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3kn6 h LEU 663 Cb 0.55 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3kn6 h LEU 663 CO 0.03 0.38 0.48 0.40 -0.34 0.00 0.00 178.44 179.39 3kn6 h ILE 664 N 0.08 1.20 -0.66 4.05 2.04 -1.13 -2.19 117.51 120.89 3kn6 h ILE 664 Ca 0.05 -0.37 0.07 0.00 1.00 0.00 0.00 64.86 65.61 3kn6 h ILE 664 Cb 0.23 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 3kn6 h ILE 664 CO -0.00 0.19 0.34 -0.61 0.00 0.00 0.00 178.15 178.07 3kn6 h GLN 665 N 1.01 0.59 0.00 2.37 -0.00 -0.82 0.23 115.11 118.48 3kn6 h GLN 665 Ca 0.27 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.83 3kn6 h GLN 665 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.24 3kn6 h GLN 665 CO -0.06 0.39 -0.25 0.78 0.00 0.00 0.00 178.83 179.69 3kn6 h GLY 666 N 0.61 0.00 1.22 2.39 0.00 -0.83 -2.58 103.07 103.88 3kn6 h GLY 666 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.36 3kn6 h GLY 666 CO -0.23 0.00 -1.55 1.41 0.00 0.00 0.00 176.54 176.18 3kn6 h LEU 667 N 0.00 0.08 0.00 3.11 3.38 -0.69 0.11 115.31 121.30 3kn6 h LEU 667 Ca -0.00 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3kn6 h LEU 667 Cb 0.59 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3kn6 h LEU 667 CO 0.03 1.12 -1.02 -0.07 0.09 0.00 0.00 178.44 178.60 3kn6 h LEU 668 N 0.01 0.00 -9.74 1.67 3.38 -0.94 -3.34 115.31 106.35 3kn6 h LEU 668 Ca -0.23 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.22 3kn6 h LEU 668 Cb 1.96 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.77 3kn6 h LEU 668 CO 0.10 0.29 0.80 0.28 0.09 0.00 0.00 178.44 180.00 3kn6 s THR 669 N -3.13 2.52 -0.68 0.22 -1.32 -0.98 -4.90 115.64 107.37 3kn6 s THR 669 Ca -0.00 0.43 0.23 0.00 -1.21 0.00 0.00 61.69 61.14 3kn6 s THR 669 Cb 0.09 -3.27 -0.11 0.00 -1.51 0.00 0.00 72.50 67.70 3kn6 s THR 669 CO 0.78 0.06 1.06 1.33 -2.21 0.00 0.00 174.62 175.65 3kn6 n VAL 670 N 2.47 0.14 -1.61 5.08 0.24 -1.26 -4.60 118.33 118.80 3kn6 n VAL 670 Ca 0.08 -0.20 -0.44 0.00 -2.04 0.00 0.00 64.34 61.74 3kn6 n VAL 670 Cb 0.39 0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.99 3kn6 n VAL 670 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3kn6 n ASP 671 N -1.88 3.43 0.32 -1.34 4.64 -1.26 -4.84 116.55 115.62 3kn6 n ASP 671 Ca 0.02 0.43 0.18 0.00 -1.38 0.00 0.00 54.79 54.04 3kn6 n ASP 671 Cb 0.42 -1.52 0.98 0.00 -1.04 0.00 0.00 41.12 39.95 3kn6 n ASP 671 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3kn6 h PRO 672 N 13.52 0.00 0.00 -0.67 0.11 -1.95 0.14 132.00 143.16 3kn6 h PRO 672 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kn6 h PRO 672 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kn6 h PRO 672 CO 0.96 0.00 -1.15 0.09 -0.21 0.00 0.00 178.00 177.69 3kn6 n ASN 673 N -2.90 0.58 -0.08 -2.05 3.02 -1.26 -4.38 115.26 108.19 3kn6 n ASN 673 Ca -0.02 -0.10 -0.07 0.00 -0.03 0.00 0.00 54.58 54.35 3kn6 n ASN 673 Cb 0.21 0.89 -0.13 0.00 -0.61 0.00 0.00 39.78 40.14 3kn6 n ASN 673 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3kn6 n LYS 674 N -2.11 1.29 -2.24 3.52 4.81 0.14 -5.02 118.16 118.55 3kn6 n LYS 674 Ca 0.01 -0.02 -0.41 0.00 -0.87 0.00 0.00 58.31 57.02 3kn6 n LYS 674 Cb 0.47 -1.42 -0.03 0.00 0.02 0.00 0.00 35.03 34.07 3kn6 n LYS 674 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3kn6 s ARG 675 N -2.43 4.43 0.15 1.64 1.70 0.26 -4.88 118.95 119.82 3kn6 s ARG 675 Ca -0.08 2.05 -0.31 0.00 -0.47 0.00 0.00 55.73 56.92 3kn6 s ARG 675 Cb 0.05 -3.16 -0.08 0.00 -0.57 0.00 0.00 34.95 31.19 3kn6 s ARG 675 CO 0.67 -0.15 1.32 -1.17 -1.08 0.00 0.00 175.30 174.89 3kn6 s LEU 676 N -0.80 4.40 0.46 -1.89 2.96 0.37 -5.00 118.68 119.17 3kn6 s LEU 676 Ca 0.52 2.31 0.08 0.00 -0.22 0.00 0.00 54.13 56.82 3kn6 s LEU 676 Cb -0.36 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.74 3kn6 s LEU 676 CO 0.43 -0.56 0.48 -0.54 -1.32 0.00 0.00 176.35 174.84 3kn6 s LYS 677 N 0.49 2.51 -0.47 1.98 -0.14 -1.26 -4.83 119.74 118.01 3kn6 s LYS 677 Ca 0.60 -1.57 -0.22 0.00 -1.36 0.00 0.00 55.97 53.41 3kn6 s LYS 677 Cb -0.35 -2.44 0.03 0.00 -1.68 0.00 0.00 37.83 33.38 3kn6 s LYS 677 CO 0.34 -0.37 0.76 1.41 -0.76 0.00 0.00 175.35 176.74 3kn6 s MET 678 N -4.27 3.33 -0.21 1.68 -2.45 -1.26 -1.55 119.30 114.56 3kn6 s MET 678 Ca 0.49 -0.29 -0.05 0.00 -1.25 0.00 0.00 55.69 54.60 3kn6 s MET 678 Cb -0.05 -3.98 0.11 0.00 1.25 0.00 0.00 34.83 32.16 3kn6 s MET 678 CO 0.29 -1.17 0.39 0.45 1.05 0.00 0.00 175.02 176.03 3kn6 s SER 679 N 2.30 0.02 0.00 1.11 0.15 -1.26 -5.01 113.70 111.01 3kn6 s SER 679 Ca 0.27 0.61 0.18 0.00 0.70 0.00 0.00 55.95 57.70 3kn6 s SER 679 Cb -0.13 1.19 0.12 0.00 -1.71 0.00 0.00 66.02 65.48 3kn6 s SER 679 CO 0.20 -0.26 1.03 0.61 1.20 0.00 0.00 173.24 176.02 3kn6 n GLY 680 N 5.38 0.28 0.17 9.45 0.00 -0.60 -4.49 105.19 115.37 3kn6 n GLY 680 Ca -0.06 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 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 3.19 0.55 -2.42 0.99 6.46 -1.85 -2.87 115.31 119.38 3kn6 h LEU 681 Ca 0.00 -0.51 0.02 0.00 -0.12 0.00 0.00 57.88 57.27 3kn6 h LEU 681 Cb 0.71 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 3kn6 h LEU 681 CO 0.00 0.95 0.06 0.08 -0.62 0.00 0.00 178.44 178.91 3kn6 h ARG 682 N 0.17 0.00 -0.33 1.25 0.11 -1.85 -1.92 114.38 111.82 3kn6 h ARG 682 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 3kn6 h ARG 682 Cb 0.82 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.90 3kn6 h ARG 682 CO 0.06 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.79 3kn6 n TYR 683 N -3.79 0.42 -1.92 4.08 4.01 -1.10 -4.90 117.16 113.96 3kn6 n TYR 683 Ca -0.02 -0.21 -0.42 0.00 -0.16 0.00 0.00 57.90 57.10 3kn6 n TYR 683 Cb 0.16 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.54 6.56 0.24 7.72 2.47 -0.72 -4.90 114.94 124.77 3kn6 s ASN 684 Ca 0.37 2.70 -0.06 0.00 0.42 0.00 0.00 52.86 56.28 3kn6 s ASN 684 Cb 0.22 -2.61 0.27 0.00 -1.45 0.00 0.00 41.25 37.68 3kn6 s ASN 684 CO 0.31 -0.81 1.90 1.05 -3.72 0.00 0.00 177.10 175.83 3kn6 h GLU 685 N 5.96 1.17 0.00 0.43 4.11 -1.92 -1.95 114.58 122.38 3kn6 h GLU 685 Ca -0.44 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 58.89 3kn6 h GLU 685 Cb 1.21 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 3kn6 h GLU 685 CO 0.86 0.77 -0.12 2.35 0.07 0.00 0.00 179.01 182.94 3kn6 h TRP 686 N 1.20 0.00 0.00 2.06 7.01 -1.90 -2.94 115.95 121.38 3kn6 h TRP 686 Ca 0.36 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.36 3kn6 h TRP 686 Cb -0.05 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.01 3kn6 h TRP 686 CO -0.01 0.12 -0.72 1.28 -2.79 0.00 0.00 178.44 176.32 3kn6 n LEU 687 N -3.88 0.64 -4.76 0.65 4.32 -0.74 -4.92 117.00 108.30 3kn6 n LEU 687 Ca -0.02 -0.09 -0.41 0.00 -0.02 0.00 0.00 56.01 55.47 3kn6 n LEU 687 Cb 0.21 -0.16 -0.02 0.00 -1.62 0.00 0.00 43.42 41.82 3kn6 n LEU 687 CO 0.31 0.12 1.00 -1.10 -1.22 0.00 0.00 177.39 176.51 3kn6 s GLN 688 N -3.05 4.35 0.20 3.23 -1.52 -1.11 -4.85 119.66 116.91 3kn6 s GLN 688 Ca 0.09 2.20 -0.10 0.00 -1.95 0.00 0.00 55.36 55.60 3kn6 s GLN 688 Cb 0.16 -3.10 0.23 0.00 -0.22 0.00 0.00 33.01 30.09 3kn6 s GLN 688 CO 0.76 -0.24 1.79 0.22 -0.25 0.00 0.00 175.29 177.57 3kn6 h ASP 689 N 4.05 0.47 0.59 5.90 -0.00 -1.91 -2.73 116.42 122.78 3kn6 h ASP 689 Ca -0.48 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 56.59 3kn6 h ASP 689 Cb 1.22 -0.05 0.00 0.00 -0.00 0.00 0.00 39.33 40.50 3kn6 h ASP 689 CO 0.70 0.30 -0.22 0.61 -0.00 0.00 0.00 179.24 180.63 3kn6 n GLY 690 N -1.28 -1.19 3.76 -0.78 0.00 -1.26 -4.89 105.19 99.55 3kn6 n GLY 690 Ca 0.08 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.81 6.44 -0.42 1.61 0.01 -1.03 -4.95 113.70 112.56 3kn6 s SER 691 Ca 0.18 2.92 -0.25 0.00 1.31 0.00 0.00 55.95 60.11 3kn6 s SER 691 Cb 0.19 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.79 3kn6 s SER 691 CO 0.57 -0.83 0.87 -1.58 0.41 0.00 0.00 173.24 172.68 3kn6 s GLN 692 N -1.18 3.61 0.42 12.44 2.00 -1.26 -5.00 119.66 130.68 3kn6 s GLN 692 Ca 0.57 0.21 0.08 0.00 -2.00 0.00 0.00 55.36 54.22 3kn6 s GLN 692 Cb -0.46 -3.88 -0.01 0.00 0.80 0.00 0.00 33.01 29.46 3kn6 s GLN 692 CO 0.53 -1.07 0.41 -0.51 -0.50 0.00 0.00 175.29 174.15 3kn6 s LEU 693 N 3.47 3.42 0.60 3.68 1.43 -1.26 -5.10 118.68 124.91 3kn6 s LEU 693 Ca 0.34 -0.70 -0.19 0.00 -1.03 0.00 0.00 54.13 52.55 3kn6 s LEU 693 Cb -0.11 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 3kn6 s LEU 693 CO 0.22 -0.68 1.23 -0.55 0.23 0.00 0.00 176.35 176.80 3kn6 s SER 694 N -4.17 5.13 -0.07 2.29 0.15 -1.26 -4.81 113.70 110.96 3kn6 s SER 694 Ca 0.49 2.44 0.11 0.00 0.70 0.00 0.00 55.95 59.69 3kn6 s SER 694 Cb -0.04 -2.60 0.24 0.00 -1.71 0.00 0.00 66.02 61.91 3kn6 s SER 694 CO 0.29 -1.64 1.17 -1.20 1.20 0.00 0.00 173.24 173.06 3kn6 n SER 695 N -1.59 2.64 -4.77 5.45 7.64 -1.26 -2.63 113.62 119.11 3kn6 n SER 695 Ca 0.14 -2.50 -0.38 0.00 1.01 0.00 0.00 58.87 57.14 3kn6 n SER 695 Cb 0.49 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 3kn6 n SER 695 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3kn6 s ASN 696 N -1.70 6.11 0.35 6.43 0.01 -1.26 -4.82 114.94 120.06 3kn6 s ASN 696 Ca 0.22 2.54 -0.29 0.00 -0.71 0.00 0.00 52.86 54.62 3kn6 s ASN 696 Cb 0.17 -2.62 -0.11 0.00 0.41 0.00 0.00 41.25 39.09 3kn6 s ASN 696 CO 0.06 -0.98 1.49 -2.16 -1.51 0.00 0.00 177.10 174.00 3kn6 s PRO 697 N -2.50 4.14 0.51 -0.60 0.04 -1.26 -4.32 135.00 131.02 3kn6 s PRO 697 Ca 0.61 2.53 -0.01 0.00 0.04 0.00 0.00 61.00 64.17 3kn6 s PRO 697 Cb -0.35 -3.00 0.01 0.00 0.04 0.00 0.00 34.50 31.21 3kn6 s PRO 697 CO 0.43 -0.51 0.75 -0.51 0.04 0.00 0.00 177.00 177.20 3kn6 s LEU 698 N -1.67 3.44 0.00 -3.56 1.43 0.18 -4.97 118.68 113.53 3kn6 s LEU 698 Ca 0.55 0.29 0.30 0.00 -1.03 0.00 0.00 54.13 54.23 3kn6 s LEU 698 Cb -0.46 -3.15 1.40 0.00 0.03 0.00 0.00 46.19 44.02 3kn6 s LEU 698 CO 0.58 -0.92 1.95 0.23 0.23 0.00 0.00 176.35 178.42 3kn6 n MET 699 N -2.28 0.90 -0.01 1.70 2.81 -1.26 -4.48 117.12 114.50 3kn6 n MET 699 Ca 0.04 -0.27 -0.06 0.00 -1.81 0.00 0.00 57.70 55.60 3kn6 n MET 699 Cb 0.58 -1.49 0.13 0.00 -0.71 0.00 0.00 33.22 31.73 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 0.65 1.29 -0.59 2.03 1.03 -1.80 -1.89 112.91 113.63 3kn6 h THR 700 Ca 0.00 -1.46 -0.06 0.00 -0.01 0.00 0.00 66.41 64.88 3kn6 h THR 700 Cb 0.28 1.45 -0.02 0.00 -1.07 0.00 0.00 68.15 68.79 3kn6 h THR 700 CO 0.00 0.46 0.15 -0.65 -0.01 0.00 0.00 175.52 175.47 3kn6 h PRO 701 N 0.48 0.94 -0.32 0.00 0.11 -1.79 0.15 132.00 131.56 3kn6 h PRO 701 Ca 0.05 -0.22 -0.04 0.00 0.11 0.00 0.00 66.00 65.90 3kn6 h PRO 701 Cb 0.82 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 3kn6 h PRO 701 CO 0.07 0.86 0.06 0.22 -0.21 0.00 0.00 178.00 179.00 3kn6 h ASP 702 N 0.85 0.51 -0.55 -2.05 3.58 -1.84 0.12 116.42 117.03 3kn6 h ASP 702 Ca 0.18 -0.25 -0.07 0.00 0.42 0.00 0.00 57.03 57.31 3kn6 h ASP 702 Cb 0.34 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3kn6 h ASP 702 CO 0.00 0.63 0.05 0.40 -2.88 0.00 0.00 179.24 177.44 3kn6 h ILE 703 N 0.36 1.26 -0.78 2.25 2.04 -1.19 -0.96 117.51 120.49 3kn6 h ILE 703 Ca 0.10 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 3kn6 h ILE 703 Cb 0.33 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3kn6 h ILE 703 CO 0.00 0.37 0.49 -0.07 0.00 0.00 0.00 178.15 178.94 3kn6 h LEU 704 N 0.82 0.93 -1.00 1.44 4.07 -0.65 -0.06 115.31 120.86 3kn6 h LEU 704 Ca 0.16 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 3kn6 h LEU 704 Cb 0.46 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 3kn6 h LEU 704 CO 0.02 0.71 0.50 1.23 -1.08 0.00 0.00 178.44 179.81 3kn6 h GLY 705 N 1.07 1.28 1.19 0.83 0.00 -0.28 0.18 103.07 107.34 3kn6 h GLY 705 Ca 0.28 -0.56 -0.29 0.00 0.00 0.00 0.00 47.33 46.77 3kn6 h GLY 705 CO -0.06 0.54 -1.57 1.48 0.00 0.00 0.00 176.54 176.93 3kn6 h SER 706 N 1.21 0.15 -0.09 0.19 4.64 -1.04 -3.39 113.55 115.22 3kn6 h SER 706 Ca 0.31 -0.25 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 3kn6 h SER 706 Cb -0.01 -0.05 -0.19 0.00 -0.31 0.00 0.00 62.40 61.84 3kn6 h SER 706 CO -0.05 1.21 -0.75 -1.54 -0.87 0.00 0.00 176.83 174.84 3kn6 n SER 707 N -3.26 1.74 0.05 4.97 3.41 -0.05 -4.91 113.62 115.57 3kn6 n SER 707 Ca -0.15 -3.14 -0.11 0.00 -0.26 0.00 0.00 58.87 55.20 3kn6 n SER 707 Cb 1.03 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 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 1.19 -0.44 0.90 5.00 0.00 -0.79 -2.21 103.07 106.72 3kn6 h GLY 708 Ca -0.05 0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.64 3kn6 h GLY 708 CO 0.11 -0.22 0.16 0.00 0.00 0.00 0.00 176.54 176.59 3kn6 h ALA 709 N 0.38 0.36 -0.95 3.60 0.00 -1.91 -2.46 119.26 118.29 3kn6 h ALA 709 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kn6 h ALA 709 Cb 0.52 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3kn6 h ALA 709 CO -0.27 -0.22 0.63 0.00 0.00 0.00 0.00 179.25 179.39 3kn6 h ALA 710 N 1.14 1.21 -0.51 0.00 0.00 -1.92 -2.33 119.26 116.85 3kn6 h ALA 710 Ca 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kn6 h ALA 710 Cb 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3kn6 h ALA 710 CO -0.07 0.57 0.33 0.28 0.00 0.00 0.00 179.25 180.37 3kn6 h VAL 711 N 1.26 1.11 -0.67 0.00 2.07 -0.99 -1.73 116.25 117.31 3kn6 h VAL 711 Ca 0.35 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.70 3kn6 h VAL 711 Cb -0.12 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 29.98 3kn6 h VAL 711 CO -0.08 0.12 0.38 -0.74 0.02 0.00 0.00 177.57 177.27 3kn6 h HIS 712 N 0.67 0.70 -0.20 1.57 2.76 -0.98 -1.13 115.15 118.54 3kn6 h HIS 712 Ca 0.19 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.34 3kn6 h HIS 712 Cb -0.06 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.68 3kn6 h HIS 712 CO -0.05 0.35 -0.07 1.15 -1.30 0.00 0.00 177.93 178.02 3kn6 h THR 713 N 0.71 1.29 -0.54 6.26 2.02 -1.20 -2.65 112.91 118.80 3kn6 h THR 713 Ca 0.29 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 3kn6 h THR 713 Cb 0.16 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3kn6 h THR 713 CO -0.17 0.33 0.32 0.00 0.37 0.00 0.00 175.52 176.37 3kn6 h VAL 715 N 0.73 1.20 -0.27 0.00 2.07 -1.21 0.60 116.25 119.36 3kn6 h VAL 715 Ca 0.19 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.29 3kn6 h VAL 715 Cb -0.01 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 3kn6 h VAL 715 CO -0.04 0.21 0.02 0.11 0.02 0.00 0.00 177.57 177.89 3kn6 h LYS 716 N 0.92 0.10 -0.80 1.57 1.57 -1.13 -1.49 116.57 117.31 3kn6 h LYS 716 Ca 0.24 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.06 3kn6 h LYS 716 Cb -0.00 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 3kn6 h LYS 716 CO -0.04 0.07 0.53 0.00 -0.57 0.00 0.00 179.45 179.43 3kn6 h ALA 717 N 1.22 1.55 -0.29 3.86 0.00 -0.26 -0.61 119.26 124.73 3kn6 h ALA 717 Ca 0.13 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 3kn6 h ALA 717 Cb 0.16 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kn6 h ALA 717 CO -0.20 0.35 -0.47 1.15 0.00 0.00 0.00 179.25 180.08 3kn6 h THR 718 N 0.95 1.29 -0.43 0.00 2.02 -0.49 -1.36 112.91 114.89 3kn6 h THR 718 Ca 0.33 -1.66 -0.10 0.00 0.77 0.00 0.00 66.41 65.75 3kn6 h THR 718 Cb 0.11 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3kn6 h THR 718 CO -0.10 0.54 -0.13 -0.26 0.37 0.00 0.00 175.52 175.94 3kn6 h PHE 719 N 0.61 0.86 -0.45 3.16 0.04 -0.72 -1.63 116.94 118.81 3kn6 h PHE 719 Ca 0.03 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.64 3kn6 h PHE 719 Cb 1.04 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.95 3kn6 h PHE 719 CO 0.06 0.86 0.28 1.25 -0.60 0.00 0.00 178.31 180.15 3kn6 h HIS 720 N 0.70 0.58 -0.71 -0.55 2.76 -0.90 -2.31 115.15 114.73 3kn6 h HIS 720 Ca 0.12 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3kn6 h HIS 720 Cb 0.61 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 3kn6 h HIS 720 CO 0.03 0.40 0.39 0.00 -1.30 0.00 0.00 177.93 177.45 3kn6 h ALA 721 N 1.14 0.91 -0.70 5.26 0.00 -0.91 -2.11 119.26 122.84 3kn6 h ALA 721 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kn6 h ALA 721 Cb -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3kn6 h ALA 721 CO -0.03 0.41 0.35 0.35 0.00 0.00 0.00 179.25 180.33 3kn6 h PHE 722 N 0.97 0.97 -0.41 0.00 3.57 -1.10 -0.69 116.94 120.25 3kn6 h PHE 722 Ca 0.25 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3kn6 h PHE 722 Cb 0.03 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 3kn6 h PHE 722 CO -0.00 0.70 0.22 -0.91 -2.23 0.00 0.00 178.31 176.08 3kn6 h ASN 723 N 0.98 0.52 -0.75 0.41 -0.26 -0.86 -1.16 115.58 114.46 3kn6 h ASN 723 Ca 0.24 -0.10 -0.06 0.00 -0.56 0.00 0.00 56.30 55.82 3kn6 h ASN 723 Cb 0.08 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.18 3kn6 h ASN 723 CO -0.03 0.48 0.23 0.11 -1.06 0.00 0.00 177.43 177.15 3kn6 h LYS 724 N 0.53 1.17 -0.28 0.81 1.57 -0.84 0.04 116.57 119.58 3kn6 h LYS 724 Ca 0.14 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3kn6 h LYS 724 Cb 0.08 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3kn6 h LYS 724 CO -0.02 1.00 0.02 -0.92 -0.57 0.00 0.00 179.45 178.95 3kn6 h TYR 725 N 1.12 0.41 -0.03 -1.35 3.20 -0.97 -0.48 116.97 118.87 3kn6 h TYR 725 Ca 0.24 -0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.88 3kn6 h TYR 725 Cb 0.32 -0.13 0.02 0.00 1.54 0.00 0.00 36.73 38.48 3kn6 h TYR 725 CO 0.03 0.41 -0.79 0.87 -1.64 0.00 0.00 178.16 177.03 3kn6 h LYS 726 N 0.40 0.59 -0.04 1.82 1.79 -0.43 -3.24 116.57 117.46 3kn6 h LYS 726 Ca 0.09 -0.59 -0.17 0.00 -2.18 0.00 0.00 60.65 57.80 3kn6 h LYS 726 Cb 0.24 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 3kn6 h LYS 726 CO 0.00 1.21 -0.73 0.00 -1.08 0.00 0.00 179.45 178.85 3kn6 h ARG 727 N 0.20 0.21 -0.62 3.15 3.08 -0.90 -3.16 114.38 116.34 3kn6 h ARG 727 Ca -0.09 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 59.79 3kn6 h ARG 727 Cb 1.46 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.52 3kn6 h ARG 727 CO 0.16 0.85 0.41 1.49 -1.07 0.00 0.00 179.97 181.81 3kn6 h GLU 728 N 0.14 0.78 0.00 0.04 4.81 -1.15 -3.51 114.58 115.69 3kn6 h GLU 728 Ca -0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3kn6 h GLU 728 Cb 1.29 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3kn6 h GLU 728 CO 0.11 0.52 0.00 0.41 -0.73 0.00 0.00 179.01 179.32