#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kn5 s ASP 416 N 0.00 7.18 0.26 4.39 -0.00 -1.26 -5.00 116.67 122.24 3kn5 s ASP 416 Ca 0.00 1.87 -0.31 0.00 -0.00 0.00 0.00 52.55 54.11 3kn5 s ASP 416 Cb 0.00 -2.58 -0.13 0.00 -0.00 0.00 0.00 42.92 40.22 3kn5 s ASP 416 CO 0.00 -0.18 1.46 -1.54 -0.00 0.00 0.00 175.17 174.91 3kn5 n SER 417 N 0.31 3.12 -0.34 0.27 3.41 -1.26 -4.81 113.62 114.32 3kn5 n SER 417 Ca 0.03 1.15 0.19 0.00 -0.26 0.00 0.00 58.87 59.97 3kn5 n SER 417 Cb 0.50 -1.48 0.40 0.00 -0.26 0.00 0.00 64.21 63.37 3kn5 n SER 417 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3kn5 h PRO 418 N 4.34 0.45 -0.43 4.33 0.11 -1.95 -0.59 132.00 138.26 3kn5 h PRO 418 Ca -0.46 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.71 3kn5 h PRO 418 Cb 1.26 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.19 3kn5 h PRO 418 CO 0.76 0.30 -0.11 0.35 -0.21 0.00 0.00 178.00 179.10 3kn5 h PHE 419 N 0.47 -0.23 0.00 0.65 3.57 -1.90 0.93 116.94 120.43 3kn5 h PHE 419 Ca 0.66 0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.20 3kn5 h PHE 419 Cb 1.34 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.25 3kn5 h PHE 419 CO -0.03 -0.18 0.00 1.88 -2.23 0.00 0.00 178.31 177.74 3kn5 h TYR 420 N 0.00 0.00 0.00 0.41 0.05 -1.31 0.29 116.97 116.41 3kn5 h TYR 420 Ca 0.21 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.95 3kn5 h TYR 420 Cb 0.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3kn5 h TYR 420 CO -0.38 0.00 -0.18 1.96 -1.05 0.00 0.00 178.16 178.51 3kn5 h GLN 421 N 0.00 0.00 0.00 4.88 4.20 -0.66 -3.36 115.11 120.17 3kn5 h GLN 421 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 3kn5 h GLN 421 Cb 0.50 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 3kn5 h GLN 421 CO 0.00 0.18 -1.63 0.72 -0.67 0.00 0.00 178.83 177.43 3kn5 n HIS 422 N -3.50 0.00 -4.38 2.96 8.25 0.00 -4.95 115.22 113.60 3kn5 n HIS 422 Ca -0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.19 3kn5 n HIS 422 Cb 0.34 -0.44 -0.13 0.00 1.12 0.00 0.00 29.99 30.88 3kn5 n HIS 422 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kn5 s TYR 423 N -2.22 2.01 0.03 4.41 2.02 0.81 -0.78 117.35 123.62 3kn5 s TYR 423 Ca -0.09 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.17 3kn5 s TYR 423 Cb 0.03 -1.11 -0.05 0.00 -0.40 0.00 0.00 41.96 40.44 3kn5 s TYR 423 CO 0.33 0.24 0.25 -0.51 -1.57 0.00 0.00 175.55 174.29 3kn5 s ASP 424 N -1.88 6.44 -0.10 2.29 1.01 0.75 -4.40 116.67 120.78 3kn5 s ASP 424 Ca 0.10 0.46 0.02 0.00 0.71 0.00 0.00 52.55 53.83 3kn5 s ASP 424 Cb -0.10 -2.04 -0.01 0.00 1.01 0.00 0.00 42.92 41.77 3kn5 s ASP 424 CO 0.05 0.21 -0.16 -0.22 0.21 0.00 0.00 175.17 175.25 3kn5 s LEU 425 N -2.06 2.55 -0.66 1.23 2.96 -1.26 -1.15 118.68 120.28 3kn5 s LEU 425 Ca 0.31 -0.36 -0.13 0.00 -0.22 0.00 0.00 54.13 53.72 3kn5 s LEU 425 Cb -0.13 -1.54 0.17 0.00 0.50 0.00 0.00 46.19 45.19 3kn5 s LEU 425 CO 0.20 0.21 0.59 -0.62 -1.32 0.00 0.00 176.35 175.41 3kn5 s ASP 426 N 0.07 6.31 0.00 3.68 3.68 -1.24 -4.90 116.67 124.26 3kn5 s ASP 426 Ca -0.07 -2.28 0.25 0.00 2.13 0.00 0.00 52.55 52.59 3kn5 s ASP 426 Cb -0.15 -2.16 1.12 0.00 -1.45 0.00 0.00 42.92 40.29 3kn5 s ASP 426 CO 0.05 -0.68 1.81 0.18 0.13 0.00 0.00 175.17 176.66 3kn5 n LEU 427 N 4.52 0.00 -0.04 -1.34 4.32 -1.26 -3.10 117.00 120.11 3kn5 n LEU 427 Ca 0.00 0.44 -0.13 0.00 -0.02 0.00 0.00 56.01 56.30 3kn5 n LEU 427 Cb 0.43 -0.44 -0.08 0.00 -1.62 0.00 0.00 43.42 41.71 3kn5 n LEU 427 CO 0.42 -0.07 0.62 0.11 -1.22 0.00 0.00 177.39 177.26 3kn5 h LYS 428 N 0.00 0.20 -6.86 3.23 1.57 -2.01 -3.44 116.57 109.25 3kn5 h LYS 428 Ca 0.00 -0.10 -0.52 0.00 -1.87 0.00 0.00 60.65 58.16 3kn5 h LYS 428 Cb 0.37 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.74 3kn5 h LYS 428 CO 0.00 0.62 0.60 -0.51 -0.57 0.00 0.00 179.45 179.59 3kn5 s ASP 429 N -5.92 6.88 0.45 0.86 -0.00 -1.18 -5.00 116.67 112.77 3kn5 s ASP 429 Ca -0.15 2.59 -0.22 0.00 -0.00 0.00 0.00 52.55 54.77 3kn5 s ASP 429 Cb 0.04 -2.64 -0.09 0.00 -0.00 0.00 0.00 42.92 40.23 3kn5 s ASP 429 CO 0.72 -0.44 1.05 -1.59 -0.00 0.00 0.00 175.17 174.90 3kn5 s LYS 430 N -1.72 3.94 0.23 8.23 -2.85 -1.26 -4.96 119.74 121.34 3kn5 s LYS 430 Ca 0.48 1.44 -0.30 0.00 -1.00 0.00 0.00 55.97 56.59 3kn5 s LYS 430 Cb -0.38 -2.28 -0.15 0.00 -2.06 0.00 0.00 37.83 32.96 3kn5 s LYS 430 CO 0.50 -0.33 1.03 -2.30 0.10 0.00 0.00 175.35 174.35 3kn5 n PRO 431 N -0.60 1.15 0.26 1.78 -0.02 -1.26 -4.85 135.00 131.46 3kn5 n PRO 431 Ca 0.08 0.41 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 3kn5 n PRO 431 Cb 0.51 -1.80 0.71 0.00 -0.02 0.00 0.00 33.50 32.91 3kn5 n PRO 431 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kn5 h LEU 432 N 2.47 0.00 -7.26 2.45 3.38 -0.84 -3.46 115.31 112.05 3kn5 h LEU 432 Ca -0.40 0.00 0.30 0.00 0.09 0.00 0.00 57.88 57.87 3kn5 h LEU 432 Cb 1.35 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.98 3kn5 h LEU 432 CO 0.64 0.08 0.78 -0.83 0.09 0.00 0.00 178.44 179.20 3kn5 s GLY 433 N -4.14 -0.38 0.00 0.83 0.00 -1.14 -4.97 107.32 97.52 3kn5 s GLY 433 Ca -0.04 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3kn5 s GLY 433 CO 0.62 0.14 0.00 1.18 0.00 0.00 0.00 173.10 175.04 3kn5 n GLU 434 N -0.45 1.12 -0.31 2.90 1.02 -1.26 -0.75 120.64 122.90 3kn5 n GLU 434 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3kn5 n GLU 434 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 3kn5 n GLU 434 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kn5 n GLY 435 N 1.39 0.86 3.57 0.62 0.00 -1.14 -4.74 105.19 105.76 3kn5 n GLY 435 Ca 0.00 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 3kn5 n GLY 435 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kn5 s SER 436 N -4.00 5.41 -1.56 1.61 0.01 -1.26 -3.43 113.70 110.48 3kn5 s SER 436 Ca 0.00 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.09 3kn5 s SER 436 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 3kn5 s SER 436 CO 0.00 -2.17 0.00 0.49 0.41 0.00 0.00 173.24 171.97 3kn5 n PHE 437 N 12.17 -1.03 -3.84 2.43 3.72 -1.26 -4.92 117.46 124.72 3kn5 n PHE 437 Ca 0.24 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.54 3kn5 n PHE 437 Cb 0.50 -3.48 -0.06 0.00 -0.94 0.00 0.00 39.48 35.50 3kn5 n PHE 437 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kn5 s SER 438 N -2.10 -0.00 -0.14 4.37 1.04 -1.22 -0.83 113.70 114.81 3kn5 s SER 438 Ca 0.00 -0.65 -0.22 0.00 0.48 0.00 0.00 55.95 55.56 3kn5 s SER 438 Cb 0.00 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.59 3kn5 s SER 438 CO 0.00 -0.84 0.56 -0.51 0.98 0.00 0.00 173.24 173.43 3kn5 s ILE 439 N -3.89 0.01 -0.10 -1.02 2.07 -0.49 -2.87 121.20 114.91 3kn5 s ILE 439 Ca 0.09 -0.07 0.02 0.00 -1.41 0.00 0.00 60.65 59.27 3kn5 s ILE 439 Cb 0.03 -0.81 -0.02 0.00 0.13 0.00 0.00 42.46 41.79 3kn5 s ILE 439 CO -0.07 -0.04 -0.15 0.00 -1.91 0.00 0.00 174.94 172.78 3kn5 s ARG 441 N -0.06 0.59 0.12 0.00 0.52 0.39 -0.08 118.95 120.43 3kn5 s ARG 441 Ca -0.03 -1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 53.83 3kn5 s ARG 441 Cb -0.14 -0.00 -0.06 0.00 0.52 0.00 0.00 34.95 35.27 3kn5 s ARG 441 CO 0.04 -0.05 0.99 0.21 0.02 0.00 0.00 175.30 176.51 3kn5 s LYS 442 N -3.00 4.67 0.34 3.54 2.20 -1.26 0.38 119.74 126.60 3kn5 s LYS 442 Ca 0.01 1.50 0.03 0.00 -0.36 0.00 0.00 55.97 57.16 3kn5 s LYS 442 Cb 0.01 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 3kn5 s LYS 442 CO -0.05 0.17 0.13 0.00 -0.36 0.00 0.00 175.35 175.25 3kn5 s VAL 444 N -3.45 0.37 -0.28 0.00 1.01 -0.30 -1.63 120.40 116.12 3kn5 s VAL 444 Ca 0.33 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 3kn5 s VAL 444 Cb 0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 3kn5 s VAL 444 CO 0.16 0.17 1.38 -2.28 0.00 0.00 0.00 175.10 174.53 3kn5 s HIS 445 N 0.71 2.55 0.08 5.22 2.46 -0.28 -0.18 115.29 125.86 3kn5 s HIS 445 Ca -0.08 0.79 -0.19 0.00 0.47 0.00 0.00 55.06 56.04 3kn5 s HIS 445 Cb -0.11 -3.93 -0.06 0.00 -0.13 0.00 0.00 32.58 28.35 3kn5 s HIS 445 CO -0.01 -2.00 1.33 0.87 -2.47 0.00 0.00 174.74 172.46 3kn5 h LYS 446 N 9.64 -0.17 0.07 2.88 1.57 -1.30 0.81 116.57 130.07 3kn5 h LYS 446 Ca -0.28 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.52 3kn5 h LYS 446 Cb 1.11 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 3kn5 h LYS 446 CO 1.03 -0.11 -0.29 0.87 -0.57 0.00 0.00 179.45 180.37 3kn5 h LYS 447 N -0.18 -0.41 0.00 3.15 6.56 -1.92 -3.08 116.57 120.69 3kn5 h LYS 447 Ca 0.06 0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.64 3kn5 h LYS 447 Cb 0.33 0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.07 3kn5 h LYS 447 CO -0.41 -0.27 -0.19 0.66 -2.06 0.00 0.00 179.45 177.18 3kn5 h SER 448 N -0.42 0.00 -2.31 0.86 4.64 -1.92 -3.46 113.55 110.93 3kn5 h SER 448 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3kn5 h SER 448 Cb 0.42 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 3kn5 h SER 448 CO -0.16 0.19 -0.43 -3.20 -0.87 0.00 0.00 176.83 172.36 3kn5 n ASN 449 N -3.27 -5.07 -4.89 4.97 5.15 0.28 -5.00 115.26 107.44 3kn5 n ASN 449 Ca 0.01 0.02 -0.35 0.00 -0.60 0.00 0.00 54.58 53.67 3kn5 n ASN 449 Cb 0.46 -4.15 -0.05 0.00 -0.53 0.00 0.00 39.78 35.50 3kn5 n ASN 449 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 3kn5 s GLN 450 N -4.73 3.48 -0.12 1.20 0.74 -1.23 -4.82 119.66 114.18 3kn5 s GLN 450 Ca 0.00 -0.19 -0.19 0.00 0.05 0.00 0.00 55.36 55.03 3kn5 s GLN 450 Cb 0.00 -3.12 -0.04 0.00 1.10 0.00 0.00 33.01 30.95 3kn5 s GLN 450 CO 0.00 0.70 0.52 0.00 -0.55 0.00 0.00 175.29 175.96 3kn5 s ALA 451 N -1.22 3.45 0.41 1.58 0.00 -1.26 -1.12 121.76 123.60 3kn5 s ALA 451 Ca 0.23 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.09 3kn5 s ALA 451 Cb -0.13 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 3kn5 s ALA 451 CO 0.13 -0.05 0.06 -0.06 0.00 0.00 0.00 175.76 175.84 3kn5 s PHE 452 N 0.74 1.98 0.07 0.00 0.08 -0.65 -4.34 117.98 115.86 3kn5 s PHE 452 Ca 0.28 -1.01 0.04 0.00 0.12 0.00 0.00 56.93 56.36 3kn5 s PHE 452 Cb -0.16 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 3kn5 s PHE 452 CO 0.12 0.05 -0.01 0.00 -0.10 0.00 0.00 175.22 175.28 3kn5 s ALA 453 N -3.06 3.26 -0.03 5.36 0.00 -0.10 -1.18 121.76 126.00 3kn5 s ALA 453 Ca 0.25 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.17 3kn5 s ALA 453 Cb 0.05 -1.21 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 3kn5 s ALA 453 CO 0.12 0.68 -0.15 0.54 0.00 0.00 0.00 175.76 176.95 3kn5 s VAL 454 N -1.24 1.27 -0.29 0.00 0.11 0.16 0.19 120.40 120.60 3kn5 s VAL 454 Ca 0.24 -0.64 -0.10 0.00 -2.93 0.00 0.00 61.98 58.55 3kn5 s VAL 454 Cb -0.12 -1.09 -0.03 0.00 -1.53 0.00 0.00 36.38 33.61 3kn5 s VAL 454 CO 0.16 0.37 0.16 -0.75 -3.33 0.00 0.00 175.10 171.70 3kn5 s LYS 455 N -0.01 3.67 -0.20 1.54 2.20 -0.26 -0.46 119.74 126.23 3kn5 s LYS 455 Ca -0.02 -0.49 -0.06 0.00 -0.36 0.00 0.00 55.97 55.04 3kn5 s LYS 455 Cb -0.10 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3kn5 s LYS 455 CO 0.01 -0.27 0.02 0.42 -0.36 0.00 0.00 175.35 175.17 3kn5 s ILE 456 N 1.68 4.20 -0.04 5.43 1.01 0.27 -0.84 121.20 132.91 3kn5 s ILE 456 Ca 0.06 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.49 3kn5 s ILE 456 Cb -0.16 -2.90 0.02 0.00 0.01 0.00 0.00 42.46 39.42 3kn5 s ILE 456 CO 0.08 0.43 -0.06 -0.63 0.00 0.00 0.00 174.94 174.76 3kn5 s ILE 457 N 0.88 0.59 0.42 2.92 1.01 -0.21 -1.40 121.20 125.42 3kn5 s ILE 457 Ca 0.02 -0.19 -0.26 0.00 0.00 0.00 0.00 60.65 60.22 3kn5 s ILE 457 Cb -0.14 -0.59 -0.09 0.00 0.01 0.00 0.00 42.46 41.65 3kn5 s ILE 457 CO 0.02 0.22 1.40 -0.55 0.00 0.00 0.00 174.94 176.03 3kn5 s SER 458 N 0.68 6.12 0.14 3.58 0.15 -0.01 -0.62 113.70 123.74 3kn5 s SER 458 Ca -0.10 2.86 0.10 0.00 0.70 0.00 0.00 55.95 59.52 3kn5 s SER 458 Cb -0.13 -2.65 0.54 0.00 -1.71 0.00 0.00 66.02 62.08 3kn5 s SER 458 CO 0.00 -1.01 1.31 0.29 1.20 0.00 0.00 173.24 175.04 3kn5 n LYS 459 N 0.06 0.06 0.24 5.44 4.76 -0.60 -1.12 118.16 126.99 3kn5 n LYS 459 Ca 0.04 0.55 0.16 0.00 -2.87 0.00 0.00 58.31 56.19 3kn5 n LYS 459 Cb 0.42 -1.71 0.68 0.00 -1.84 0.00 0.00 35.03 32.58 3kn5 n LYS 459 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kn5 h ARG 460 N 0.00 0.00 -0.64 1.97 3.08 -1.89 -2.52 114.38 114.39 3kn5 h ARG 460 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kn5 h ARG 460 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3kn5 h ARG 460 CO 0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.57 3kn5 n MET 461 N -2.79 3.53 -0.24 0.04 2.81 -0.28 -4.77 117.12 115.42 3kn5 n MET 461 Ca 0.01 -2.82 0.15 0.00 -1.81 0.00 0.00 57.70 53.22 3kn5 n MET 461 Cb 0.24 -1.82 0.44 0.00 -0.71 0.00 0.00 33.22 31.38 3kn5 n MET 461 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3kn5 h GLU 462 N 3.96 0.54 -0.30 0.03 4.57 -1.59 0.32 114.58 122.09 3kn5 h GLU 462 Ca 0.00 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 3kn5 h GLU 462 Cb 1.36 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 3kn5 h GLU 462 CO 0.19 0.35 -0.14 0.00 -1.18 0.00 0.00 179.01 178.23 3kn5 h ALA 463 N 1.61 0.42 -0.63 2.92 0.00 -1.86 -2.21 119.26 119.52 3kn5 h ALA 463 Ca 0.44 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3kn5 h ALA 463 Cb 0.88 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3kn5 h ALA 463 CO -0.19 0.31 0.05 -0.97 0.00 0.00 0.00 179.25 178.46 3kn5 h ASN 464 N 0.38 1.04 0.79 0.00 -1.24 -1.36 -2.53 115.58 112.67 3kn5 h ASN 464 Ca 0.07 -0.27 -0.10 0.00 0.71 0.00 0.00 56.30 56.71 3kn5 h ASN 464 Cb 0.66 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 3kn5 h ASN 464 CO 0.04 1.06 -0.48 0.71 -1.29 0.00 0.00 177.43 177.48 3kn5 h THR 465 N 0.99 1.09 -0.64 -3.57 1.35 -1.23 -0.69 112.91 110.22 3kn5 h THR 465 Ca 0.19 -1.79 -0.01 0.00 -0.55 0.00 0.00 66.41 64.25 3kn5 h THR 465 Cb 0.50 2.04 -0.03 0.00 -1.73 0.00 0.00 68.15 68.92 3kn5 h THR 465 CO 0.02 0.47 0.38 1.56 -0.25 0.00 0.00 175.52 177.69 3kn5 h GLN 466 N 0.00 0.87 0.04 4.72 4.20 -1.22 -0.09 115.11 123.63 3kn5 h GLN 466 Ca -0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3kn5 h GLN 466 Cb 1.00 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3kn5 h GLN 466 CO 0.06 0.64 -0.04 -0.22 -0.67 0.00 0.00 178.83 178.60 3kn5 h LYS 467 N 0.87 -0.09 -0.73 1.46 3.11 -0.98 -1.83 116.57 118.38 3kn5 h LYS 467 Ca 0.23 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 58.10 3kn5 h LYS 467 Cb -0.00 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.20 3kn5 h LYS 467 CO -0.04 -0.06 0.47 1.49 -2.81 0.00 0.00 179.45 178.50 3kn5 h GLU 468 N -0.09 0.90 -0.66 1.90 4.81 -0.99 -0.01 114.58 120.43 3kn5 h GLU 468 Ca 0.01 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 3kn5 h GLU 468 Cb 0.09 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3kn5 h GLU 468 CO -0.02 0.59 0.11 0.82 -0.73 0.00 0.00 179.01 179.79 3kn5 h ILE 469 N 0.92 1.26 -0.34 2.32 2.04 -0.90 -1.29 117.51 121.52 3kn5 h ILE 469 Ca 0.28 -1.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 3kn5 h ILE 469 Cb -0.02 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3kn5 h ILE 469 CO -0.09 0.39 -0.02 0.74 0.00 0.00 0.00 178.15 179.16 3kn5 h THR 470 N 1.01 1.26 -0.47 -0.27 2.02 -0.96 -2.23 112.91 113.28 3kn5 h THR 470 Ca 0.20 -1.01 0.06 0.00 0.77 0.00 0.00 66.41 66.43 3kn5 h THR 470 Cb 0.43 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 3kn5 h THR 470 CO 0.01 0.33 0.18 0.00 0.37 0.00 0.00 175.52 176.41 3kn5 h ALA 471 N 0.84 0.57 -0.37 6.16 0.00 -0.81 0.31 119.26 125.97 3kn5 h ALA 471 Ca 0.09 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3kn5 h ALA 471 Cb 0.48 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3kn5 h ALA 471 CO 0.02 -0.20 -0.02 -0.07 0.00 0.00 0.00 179.25 178.98 3kn5 h LEU 472 N 0.37 0.55 0.00 0.00 3.38 -1.11 -2.95 115.31 115.55 3kn5 h LEU 472 Ca 0.22 -0.12 -0.23 0.00 0.09 0.00 0.00 57.88 57.85 3kn5 h LEU 472 Cb 0.20 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3kn5 h LEU 472 CO -0.21 0.63 -1.20 0.11 0.09 0.00 0.00 178.44 177.86 3kn5 h LYS 473 N 0.55 0.00 -0.64 1.13 1.57 -0.90 -2.59 116.57 115.70 3kn5 h LYS 473 Ca 0.11 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 3kn5 h LYS 473 Cb 0.38 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 3kn5 h LYS 473 CO 0.01 0.81 0.42 -0.07 -0.57 0.00 0.00 179.45 180.06 3kn5 h LEU 474 N 0.00 0.54 -0.77 2.94 3.38 -0.82 -2.62 115.31 117.96 3kn5 h LEU 474 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kn5 h LEU 474 Cb 1.82 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.46 3kn5 h LEU 474 CO 0.11 0.35 -0.31 0.00 0.09 0.00 0.00 178.44 178.68 3kn5 n GLU 476 N -0.28 0.00 0.00 0.00 4.07 -0.98 -2.88 120.64 120.57 3kn5 n GLU 476 Ca 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 3kn5 n GLU 476 Cb 0.40 -1.39 0.00 0.00 -0.06 0.00 0.00 31.44 30.40 3kn5 n GLU 476 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kn5 n GLY 477 N 1.53 2.96 3.72 8.31 0.00 -1.26 -5.07 105.19 115.38 3kn5 n GLY 477 Ca 0.19 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 3kn5 n GLY 477 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kn5 s HIS 478 N -0.23 3.08 -1.12 1.61 5.65 -1.14 -4.90 115.29 118.24 3kn5 s HIS 478 Ca 0.00 0.76 0.19 0.00 0.25 0.00 0.00 55.06 56.26 3kn5 s HIS 478 Cb 0.00 -3.87 0.85 0.00 -1.18 0.00 0.00 32.58 28.38 3kn5 s HIS 478 CO 0.00 -3.11 1.60 -0.35 -0.65 0.00 0.00 174.74 172.23 3kn5 n PRO 479 N 3.59 0.08 -0.56 2.88 -0.04 -1.26 -3.01 135.00 136.67 3kn5 n PRO 479 Ca 0.12 0.16 0.05 0.00 -0.04 0.00 0.00 63.50 63.78 3kn5 n PRO 479 Cb 0.39 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.60 3kn5 n PRO 479 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kn5 n ASN 480 N -1.44 3.65 -4.08 3.54 4.13 -1.26 -4.85 115.26 114.94 3kn5 n ASN 480 Ca 0.06 -3.20 -0.26 0.00 1.68 0.00 0.00 54.58 52.86 3kn5 n ASN 480 Cb 0.20 -0.58 -0.16 0.00 -1.54 0.00 0.00 39.78 37.70 3kn5 n ASN 480 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kn5 s ILE 481 N -2.94 1.33 0.24 2.41 1.01 -1.16 -1.38 121.20 120.71 3kn5 s ILE 481 Ca 0.44 -0.62 -0.31 0.00 0.00 0.00 0.00 60.65 60.16 3kn5 s ILE 481 Cb 0.36 -1.18 -0.14 0.00 0.01 0.00 0.00 42.46 41.51 3kn5 s ILE 481 CO 0.07 0.39 1.26 0.55 0.00 0.00 0.00 174.94 177.22 3kn5 n VAL 482 N 3.53 1.24 -3.45 2.92 3.14 -0.38 -4.85 118.33 120.48 3kn5 n VAL 482 Ca -0.21 -0.31 -0.37 0.00 -2.96 0.00 0.00 64.34 60.49 3kn5 n VAL 482 Cb 0.52 -1.25 -0.06 0.00 -1.06 0.00 0.00 33.84 31.99 3kn5 n VAL 482 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3kn5 s LYS 483 N -0.78 4.20 -0.47 1.45 2.47 -1.26 -5.00 119.74 120.35 3kn5 s LYS 483 Ca 0.66 0.29 -0.22 0.00 -1.56 0.00 0.00 55.97 55.14 3kn5 s LYS 483 Cb -0.70 -3.38 0.03 0.00 -1.46 0.00 0.00 37.83 32.32 3kn5 s LYS 483 CO 0.54 0.32 0.73 -1.17 0.16 0.00 0.00 175.35 175.92 3kn5 s LEU 484 N 0.17 4.42 -0.01 5.43 2.96 -1.26 -2.76 118.68 127.62 3kn5 s LEU 484 Ca 0.21 -0.34 -0.07 0.00 -0.22 0.00 0.00 54.13 53.71 3kn5 s LEU 484 Cb -0.14 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 3kn5 s LEU 484 CO 0.08 -0.90 0.54 -0.74 -1.32 0.00 0.00 176.35 174.01 3kn5 h HIS 485 N 8.99 -0.24 -4.19 5.38 -0.00 -0.91 -3.49 115.15 120.69 3kn5 h HIS 485 Ca -0.25 -0.01 -0.26 0.00 -0.00 0.00 0.00 60.37 59.85 3kn5 h HIS 485 Cb 1.09 0.08 -0.10 0.00 -0.00 0.00 0.00 27.41 28.48 3kn5 h HIS 485 CO 0.78 -0.15 -0.26 -1.83 -0.00 0.00 0.00 177.93 176.46 3kn5 s GLU 486 N -2.57 1.76 -0.05 5.26 -1.05 -1.17 -5.01 118.70 115.86 3kn5 s GLU 486 Ca -0.04 -1.69 0.02 0.00 -0.15 0.00 0.00 54.97 53.11 3kn5 s GLU 486 Cb 0.00 0.41 0.01 0.00 -0.44 0.00 0.00 34.13 34.12 3kn5 s GLU 486 CO 0.12 -0.71 -0.11 0.08 0.95 0.00 0.00 175.26 175.59 3kn5 s VAL 487 N -3.37 1.02 0.10 1.83 1.01 -1.26 -0.99 120.40 118.74 3kn5 s VAL 487 Ca 0.31 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.94 3kn5 s VAL 487 Cb 0.01 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3kn5 s VAL 487 CO 0.18 0.32 -0.21 -0.36 0.00 0.00 0.00 175.10 175.04 3kn5 s PHE 488 N 0.52 1.77 -0.04 5.22 0.08 -0.06 -4.97 117.98 120.49 3kn5 s PHE 488 Ca -0.11 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.57 3kn5 s PHE 488 Cb -0.14 -0.97 -0.00 0.00 -0.57 0.00 0.00 43.02 41.34 3kn5 s PHE 488 CO 0.02 0.20 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.16 3kn5 s HIS 489 N -1.16 1.72 0.35 0.36 3.76 -1.26 -0.23 115.29 118.82 3kn5 s HIS 489 Ca 0.06 -0.49 0.04 0.00 -0.15 0.00 0.00 55.06 54.52 3kn5 s HIS 489 Cb -0.10 -1.16 -0.06 0.00 1.11 0.00 0.00 32.58 32.38 3kn5 s HIS 489 CO 0.04 -0.16 0.07 0.16 -0.85 0.00 0.00 174.74 173.99 3kn5 s ASP 490 N 0.03 2.58 0.63 1.40 3.84 -0.41 -4.67 116.67 120.08 3kn5 s ASP 490 Ca -0.04 -1.44 0.34 0.00 -0.00 0.00 0.00 52.55 51.41 3kn5 s ASP 490 Cb -0.11 0.04 1.87 0.00 -1.38 0.00 0.00 42.92 43.33 3kn5 s ASP 490 CO 0.02 -0.67 2.12 1.56 -0.00 0.00 0.00 175.17 178.20 3kn5 h GLN 491 N 2.01 0.00 0.06 2.11 4.20 -2.03 -2.92 115.11 118.54 3kn5 h GLN 491 Ca -0.40 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 57.97 3kn5 h GLN 491 Cb 1.25 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.00 3kn5 h GLN 491 CO 0.68 0.00 -1.87 1.28 -0.67 0.00 0.00 178.83 178.25 3kn5 n LEU 492 N -3.35 2.36 -4.13 1.46 4.77 -1.26 -4.78 117.00 112.07 3kn5 n LEU 492 Ca -0.01 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.12 3kn5 n LEU 492 Cb 0.27 -1.02 -0.10 0.00 -2.33 0.00 0.00 43.42 40.24 3kn5 n LEU 492 CO 0.21 0.65 -0.38 -1.00 -1.33 0.00 0.00 177.39 175.54 3kn5 s HIS 493 N -2.49 0.76 -0.15 -1.77 3.76 -1.10 -1.55 115.29 112.76 3kn5 s HIS 493 Ca -0.28 -0.84 -0.03 0.00 -0.15 0.00 0.00 55.06 53.76 3kn5 s HIS 493 Cb 0.07 -0.46 -0.03 0.00 1.11 0.00 0.00 32.58 33.28 3kn5 s HIS 493 CO 0.67 -0.18 -0.03 0.99 -0.85 0.00 0.00 174.74 175.34 3kn5 s THR 494 N -3.16 3.93 -0.22 1.30 2.01 0.21 -1.29 115.64 118.42 3kn5 s THR 494 Ca 0.06 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 3kn5 s THR 494 Cb 0.02 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 3kn5 s THR 494 CO -0.04 0.51 0.03 -0.36 -0.69 0.00 0.00 174.62 174.06 3kn5 s PHE 495 N 0.22 3.07 -0.40 4.92 0.08 0.67 -1.04 117.98 125.51 3kn5 s PHE 495 Ca -0.02 -0.44 -0.09 0.00 0.12 0.00 0.00 56.93 56.50 3kn5 s PHE 495 Cb -0.14 -2.15 0.06 0.00 -0.57 0.00 0.00 43.02 40.22 3kn5 s PHE 495 CO 0.03 -0.29 0.22 -0.51 -0.10 0.00 0.00 175.22 174.57 3kn5 s LEU 496 N 1.27 4.92 -0.51 -0.37 1.02 -0.02 -0.88 118.68 124.11 3kn5 s LEU 496 Ca 0.04 -1.36 -0.26 0.00 0.02 0.00 0.00 54.13 52.58 3kn5 s LEU 496 Cb -0.15 -1.97 0.03 0.00 0.02 0.00 0.00 46.19 44.13 3kn5 s LEU 496 CO 0.02 -0.47 0.99 -0.69 0.02 0.00 0.00 176.35 176.22 3kn5 s VAL 497 N 1.44 4.35 0.21 -1.59 1.01 -0.16 -1.10 120.40 124.56 3kn5 s VAL 497 Ca 0.02 0.65 0.05 0.00 0.00 0.00 0.00 61.98 62.70 3kn5 s VAL 497 Cb -0.22 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.60 3kn5 s VAL 497 CO 0.03 -1.02 0.27 -0.04 0.00 0.00 0.00 175.10 174.34 3kn5 s MET 498 N 4.06 3.23 0.39 2.72 1.00 0.13 -0.18 119.30 130.65 3kn5 s MET 498 Ca 0.37 -0.82 -0.27 0.00 0.00 0.00 0.00 55.69 54.97 3kn5 s MET 498 Cb -0.10 -2.79 -0.10 0.00 0.00 0.00 0.00 34.83 31.84 3kn5 s MET 498 CO 0.24 0.45 1.40 -1.83 0.00 0.00 0.00 175.02 175.28 3kn5 s GLU 499 N -3.67 4.05 -0.20 2.03 -1.05 -1.11 -0.93 118.70 117.81 3kn5 s GLU 499 Ca 0.33 2.39 -0.25 0.00 -0.15 0.00 0.00 54.97 57.29 3kn5 s GLU 499 Cb -0.09 -2.88 -0.01 0.00 -0.44 0.00 0.00 34.13 30.70 3kn5 s GLU 499 CO 0.27 -0.51 0.85 -1.17 0.95 0.00 0.00 175.26 175.65 3kn5 s LEU 500 N -2.23 4.13 -0.31 1.83 0.20 -1.26 -4.45 118.68 116.59 3kn5 s LEU 500 Ca 0.54 1.13 -0.07 0.00 0.69 0.00 0.00 54.13 56.43 3kn5 s LEU 500 Cb -0.43 -3.24 0.01 0.00 -0.43 0.00 0.00 46.19 42.11 3kn5 s LEU 500 CO 0.57 -0.47 0.10 -0.76 -0.29 0.00 0.00 176.35 175.49 3kn5 s LEU 501 N 2.53 4.00 -0.08 -0.68 1.43 -1.26 -4.93 118.68 119.68 3kn5 s LEU 501 Ca 0.37 -0.79 0.16 0.00 -1.03 0.00 0.00 54.13 52.83 3kn5 s LEU 501 Cb -0.16 -1.89 0.53 0.00 0.03 0.00 0.00 46.19 44.70 3kn5 s LEU 501 CO 0.10 -0.23 1.45 0.59 0.23 0.00 0.00 176.35 178.48 3kn5 n ASN 502 N 4.87 3.87 -0.04 2.29 5.03 0.10 -4.59 115.26 126.80 3kn5 n ASN 502 Ca -0.14 -2.40 0.14 0.00 0.87 0.00 0.00 54.58 53.05 3kn5 n ASN 502 Cb 0.47 -0.44 0.63 0.00 -1.02 0.00 0.00 39.78 39.42 3kn5 n ASN 502 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kn5 n GLY 503 N 0.56 -1.23 0.00 7.41 0.00 0.12 -4.59 105.19 107.46 3kn5 n GLY 503 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3kn5 n GLY 503 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kn5 n GLY 504 N 1.35 0.07 3.82 -0.02 0.00 -1.25 -4.53 105.19 104.64 3kn5 n GLY 504 Ca 0.12 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 3kn5 n GLY 504 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kn5 s GLU 505 N -1.92 3.45 0.19 1.61 2.02 -1.26 -1.09 118.70 121.70 3kn5 s GLU 505 Ca 0.00 1.08 -0.20 0.00 0.02 0.00 0.00 54.97 55.87 3kn5 s GLU 505 Cb 0.00 -2.06 0.13 0.00 0.10 0.00 0.00 34.13 32.30 3kn5 s GLU 505 CO 0.00 -0.69 1.60 1.25 0.02 0.00 0.00 175.26 177.44 3kn5 h LEU 506 N 0.37 -1.01 -0.31 1.80 5.85 -1.18 -1.01 115.31 119.82 3kn5 h LEU 506 Ca -0.46 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3kn5 h LEU 506 Cb 1.21 0.52 0.00 0.00 0.37 0.00 0.00 40.66 42.75 3kn5 h LEU 506 CO 0.59 -0.29 0.00 -0.26 -0.34 0.00 0.00 178.44 178.14 3kn5 h PHE 507 N -0.15 0.00 -0.09 1.25 0.04 -1.87 -2.78 116.94 113.33 3kn5 h PHE 507 Ca 0.23 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.83 3kn5 h PHE 507 Cb 0.53 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 3kn5 h PHE 507 CO -0.58 0.00 -0.69 0.93 -0.60 0.00 0.00 178.31 177.37 3kn5 h GLU 508 N 0.00 0.41 -0.23 1.51 4.39 -1.57 -0.37 114.58 118.72 3kn5 h GLU 508 Ca 0.00 -0.32 -0.19 0.00 0.34 0.00 0.00 59.36 59.19 3kn5 h GLU 508 Cb 0.67 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3kn5 h GLU 508 CO 0.00 0.95 -0.62 0.00 -1.16 0.00 0.00 179.01 178.18 3kn5 h ARG 509 N 0.29 0.79 -0.08 2.33 2.47 -1.28 -2.91 114.38 115.98 3kn5 h ARG 509 Ca -0.02 -0.54 -0.02 0.00 -1.26 0.00 0.00 59.98 58.14 3kn5 h ARG 509 Cb 1.25 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.65 3kn5 h ARG 509 CO 0.12 1.16 -0.02 0.82 0.56 0.00 0.00 179.97 182.61 3kn5 h ILE 510 N 0.58 1.29 -0.68 2.04 2.04 -1.41 -1.92 117.51 119.45 3kn5 h ILE 510 Ca -0.01 -0.94 0.20 0.00 1.00 0.00 0.00 64.86 65.11 3kn5 h ILE 510 Cb 1.22 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 39.02 3kn5 h ILE 510 CO 0.13 0.26 0.49 0.50 0.00 0.00 0.00 178.15 179.53 3kn5 h LYS 511 N -0.17 0.01 -0.83 2.37 3.64 -1.14 -2.80 116.57 117.63 3kn5 h LYS 511 Ca 0.02 -0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.10 3kn5 h LYS 511 Cb 0.42 -0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.07 3kn5 h LYS 511 CO 0.01 0.00 0.38 1.17 -2.27 0.00 0.00 179.45 178.74 3kn5 n LYS 512 N -4.33 3.26 -4.06 1.90 3.00 -0.73 -4.74 118.16 112.47 3kn5 n LYS 512 Ca 0.13 -2.96 -0.11 0.00 -0.00 0.00 0.00 58.31 55.37 3kn5 n LYS 512 Cb 0.75 -2.18 -0.11 0.00 0.00 0.00 0.00 35.03 33.49 3kn5 n LYS 512 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 3kn5 s LYS 513 N -2.99 0.52 -0.12 1.64 -2.85 -1.06 -5.00 119.74 109.89 3kn5 s LYS 513 Ca 0.54 -0.86 0.12 0.00 -1.00 0.00 0.00 55.97 54.77 3kn5 s LYS 513 Cb 0.44 -0.10 -0.24 0.00 -2.06 0.00 0.00 37.83 35.87 3kn5 s LYS 513 CO 0.13 -0.01 0.36 1.17 0.10 0.00 0.00 175.35 177.10 3kn5 n LYS 514 N 1.10 0.67 -4.01 1.78 3.00 -1.26 -4.74 118.16 114.70 3kn5 n LYS 514 Ca -0.20 0.17 -0.34 0.00 -0.00 0.00 0.00 58.31 57.94 3kn5 n LYS 514 Cb 0.56 -1.67 -0.15 0.00 0.00 0.00 0.00 35.03 33.78 3kn5 n LYS 514 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 3kn5 s HIS 515 N -2.55 3.13 -0.26 5.64 2.46 -1.26 -4.98 115.29 117.47 3kn5 s HIS 515 Ca -0.10 -1.88 -0.01 0.00 0.47 0.00 0.00 55.06 53.54 3kn5 s HIS 515 Cb 0.07 -2.01 0.08 0.00 -0.13 0.00 0.00 32.58 30.59 3kn5 s HIS 515 CO 0.81 -0.80 0.04 0.12 -2.47 0.00 0.00 174.74 172.43 3kn5 s PHE 516 N 1.23 1.79 0.44 3.88 5.36 -1.26 -5.03 117.98 124.40 3kn5 s PHE 516 Ca -0.03 -1.55 0.07 0.00 -0.96 0.00 0.00 56.93 54.46 3kn5 s PHE 516 Cb -0.18 -1.54 -0.02 0.00 -0.34 0.00 0.00 43.02 40.94 3kn5 s PHE 516 CO -0.05 -0.78 0.33 -1.54 -1.46 0.00 0.00 175.22 171.73 3kn5 s SER 517 N 1.59 4.79 0.59 6.13 1.04 -1.26 0.62 113.70 127.20 3kn5 s SER 517 Ca 0.03 -0.94 0.29 0.00 0.48 0.00 0.00 55.95 55.80 3kn5 s SER 517 Cb -0.18 -0.33 1.56 0.00 0.10 0.00 0.00 66.02 67.18 3kn5 s SER 517 CO -0.14 -0.73 1.98 -0.33 0.98 0.00 0.00 173.24 175.01 3kn5 h GLU 518 N 1.07 0.00 0.07 4.02 5.08 -1.72 -2.09 114.58 121.01 3kn5 h GLU 518 Ca -0.41 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.70 3kn5 h GLU 518 Cb 1.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.53 3kn5 h GLU 518 CO 0.61 0.00 -1.10 1.79 -1.00 0.00 0.00 179.01 179.30 3kn5 h THR 519 N 0.00 1.43 0.49 1.13 1.35 -1.89 -0.99 112.91 114.43 3kn5 h THR 519 Ca 0.15 -2.71 -0.02 0.00 -0.55 0.00 0.00 66.41 63.28 3kn5 h THR 519 Cb 0.86 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 3kn5 h THR 519 CO -0.00 0.80 -0.24 -0.33 -0.25 0.00 0.00 175.52 175.50 3kn5 h GLU 520 N 0.16 -0.64 -0.97 4.72 5.08 -1.76 -2.28 114.58 118.89 3kn5 h GLU 520 Ca -0.12 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.49 3kn5 h GLU 520 Cb 1.78 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 31.09 3kn5 h GLU 520 CO 0.19 -0.34 0.62 0.00 -1.00 0.00 0.00 179.01 178.48 3kn5 h ALA 521 N -0.54 1.93 -0.07 3.43 0.00 -1.45 -0.78 119.26 121.79 3kn5 h ALA 521 Ca -0.07 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3kn5 h ALA 521 Cb 0.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kn5 h ALA 521 CO 0.11 -0.28 -0.66 1.03 0.00 0.00 0.00 179.25 179.45 3kn5 h SER 522 N 0.60 0.34 -0.53 0.00 0.87 -1.14 -1.55 113.55 112.13 3kn5 h SER 522 Ca 0.54 -0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.82 3kn5 h SER 522 Cb 1.06 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 3kn5 h SER 522 CO -0.29 0.91 0.07 0.22 -0.53 0.00 0.00 176.83 177.21 3kn5 h TYR 523 N 0.21 0.95 -0.01 2.24 3.20 -0.56 -1.39 116.97 121.61 3kn5 h TYR 523 Ca -0.02 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.71 3kn5 h TYR 523 Cb 1.20 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 3kn5 h TYR 523 CO 0.03 0.85 0.00 0.82 -1.64 0.00 0.00 178.16 178.22 3kn5 h ILE 524 N 0.77 1.21 -0.19 1.81 2.04 -1.30 -2.97 117.51 118.88 3kn5 h ILE 524 Ca 0.16 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.41 3kn5 h ILE 524 Cb 0.43 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3kn5 h ILE 524 CO 0.01 0.16 0.12 -0.03 0.00 0.00 0.00 178.15 178.42 3kn5 h MET 525 N -0.23 0.23 -0.36 2.37 4.05 -1.21 -0.70 114.93 119.08 3kn5 h MET 525 Ca 0.00 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3kn5 h MET 525 Cb 0.26 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 3kn5 h MET 525 CO 0.00 0.15 0.17 0.00 0.23 0.00 0.00 176.91 177.46 3kn5 h ARG 526 N 0.23 0.52 -0.09 0.39 3.08 -1.16 -0.35 114.38 116.99 3kn5 h ARG 526 Ca 0.07 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3kn5 h ARG 526 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3kn5 h ARG 526 CO -0.01 0.46 0.01 0.87 -1.07 0.00 0.00 179.97 180.23 3kn5 h LYS 527 N 0.44 0.04 -0.62 0.04 1.57 -1.01 -0.02 116.57 117.01 3kn5 h LYS 527 Ca 0.12 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3kn5 h LYS 527 Cb 0.12 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3kn5 h LYS 527 CO -0.02 0.03 0.37 -0.07 -0.57 0.00 0.00 179.45 179.20 3kn5 h LEU 528 N 0.05 0.75 -0.56 2.94 3.38 -1.23 -0.19 115.31 120.45 3kn5 h LEU 528 Ca 0.04 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3kn5 h LEU 528 Cb 0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3kn5 h LEU 528 CO -0.06 0.59 0.06 0.58 0.09 0.00 0.00 178.44 179.70 3kn5 h VAL 529 N 0.84 1.26 -0.43 1.22 2.07 -0.82 -0.00 116.25 120.38 3kn5 h VAL 529 Ca 0.22 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 3kn5 h VAL 529 Cb -0.02 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3kn5 h VAL 529 CO -0.04 0.37 0.21 -1.28 0.02 0.00 0.00 177.57 176.84 3kn5 h SER 530 N 0.84 0.57 -0.25 0.57 0.87 -0.74 0.04 113.55 115.45 3kn5 h SER 530 Ca 0.17 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3kn5 h SER 530 Cb 0.45 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3kn5 h SER 530 CO 0.02 0.54 0.10 0.00 -0.53 0.00 0.00 176.83 176.96 3kn5 h ALA 531 N 1.05 0.32 -0.58 6.23 0.00 -0.80 -0.13 119.26 125.35 3kn5 h ALA 531 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3kn5 h ALA 531 Cb 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kn5 h ALA 531 CO -0.02 -0.09 0.21 0.28 0.00 0.00 0.00 179.25 179.64 3kn5 h VAL 532 N 0.26 1.23 -0.57 0.00 2.07 -0.97 -1.43 116.25 116.83 3kn5 h VAL 532 Ca 0.08 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.90 3kn5 h VAL 532 Cb 0.17 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3kn5 h VAL 532 CO -0.01 0.29 0.33 -1.28 0.02 0.00 0.00 177.57 176.92 3kn5 h SER 533 N 0.81 0.52 -0.87 0.57 0.87 -0.79 -2.01 113.55 112.64 3kn5 h SER 533 Ca 0.19 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3kn5 h SER 533 Cb 0.23 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 3kn5 h SER 533 CO -0.01 0.35 0.44 -0.74 -0.53 0.00 0.00 176.83 176.35 3kn5 h HIS 534 N 0.64 1.23 -0.08 2.24 6.17 -0.59 -2.18 115.15 122.58 3kn5 h HIS 534 Ca 0.24 -0.05 0.02 0.00 0.71 0.00 0.00 60.37 61.29 3kn5 h HIS 534 Cb 0.08 -0.39 -0.02 0.00 2.52 0.00 0.00 27.41 29.61 3kn5 h HIS 534 CO -0.07 0.87 -0.03 0.52 0.71 0.00 0.00 177.93 179.92 3kn5 h MET 535 N 1.23 -0.03 -0.30 5.26 2.86 -0.57 -2.32 114.93 121.06 3kn5 h MET 535 Ca 0.30 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.88 3kn5 h MET 535 Cb 0.08 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3kn5 h MET 535 CO -0.04 -0.02 -0.08 0.45 1.06 0.00 0.00 176.91 178.28 3kn5 h HIS 536 N -0.03 0.51 0.00 -0.22 3.86 -1.34 0.21 115.15 118.14 3kn5 h HIS 536 Ca 0.04 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3kn5 h HIS 536 Cb 0.09 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 3kn5 h HIS 536 CO -0.14 0.56 -0.14 0.22 0.86 0.00 0.00 177.93 179.28 3kn5 h ASP 537 N 0.46 0.00 -0.35 2.45 3.58 -0.90 -2.31 116.42 119.34 3kn5 h ASP 537 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3kn5 h ASP 537 Cb 0.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.47 3kn5 h ASP 537 CO 0.02 0.14 0.00 1.33 -2.88 0.00 0.00 179.24 177.85 3kn5 n VAL 538 N -4.14 0.52 -1.56 2.25 0.24 -0.83 -4.97 118.33 109.84 3kn5 n VAL 538 Ca -0.02 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 3kn5 n VAL 538 Cb 0.22 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 3kn5 n VAL 538 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kn5 n GLY 539 N 1.32 0.97 2.98 7.63 0.00 -0.71 -4.93 105.19 112.46 3kn5 n GLY 539 Ca 0.17 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 3kn5 n GLY 539 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kn5 s VAL 540 N -2.59 0.96 -0.08 1.61 1.01 -0.02 -1.27 120.40 120.01 3kn5 s VAL 540 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3kn5 s VAL 540 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3kn5 s VAL 540 CO 0.00 0.32 -0.10 0.68 0.00 0.00 0.00 175.10 176.00 3kn5 s VAL 541 N 0.78 3.43 -0.13 2.92 -7.23 -0.32 -3.11 120.40 116.74 3kn5 s VAL 541 Ca -0.13 -0.57 -0.28 0.00 -1.81 0.00 0.00 61.98 59.19 3kn5 s VAL 541 Cb -0.15 -2.40 -0.27 0.00 0.56 0.00 0.00 36.38 34.12 3kn5 s VAL 541 CO 0.02 0.58 0.78 -0.74 -0.31 0.00 0.00 175.10 175.43 3kn5 h HIS 542 N 5.59 0.06 0.00 2.82 2.76 -1.91 0.05 115.15 124.52 3kn5 h HIS 542 Ca -0.43 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 3kn5 h HIS 542 Cb 1.17 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.13 3kn5 h HIS 542 CO 0.53 1.04 0.00 0.54 -1.30 0.00 0.00 177.93 178.74 3kn5 n ARG 543 N -4.55 -0.12 -2.71 5.26 1.74 -1.26 -2.95 116.66 112.06 3kn5 n ARG 543 Ca -0.10 0.03 -0.05 0.00 -0.77 0.00 0.00 57.85 56.95 3kn5 n ARG 543 Cb 0.52 -3.32 0.09 0.00 -1.02 0.00 0.00 32.46 28.73 3kn5 n ARG 543 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3kn5 n ASP 544 N -0.06 -0.30 -3.37 0.55 2.03 -1.26 -5.00 116.55 109.14 3kn5 n ASP 544 Ca 0.00 -2.39 -0.39 0.00 0.52 0.00 0.00 54.79 52.53 3kn5 n ASP 544 Cb 0.03 0.27 -0.02 0.00 -0.72 0.00 0.00 41.12 40.68 3kn5 n ASP 544 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3kn5 n LEU 545 N -0.68 8.36 -4.73 -2.67 4.77 -1.26 -4.87 117.00 115.92 3kn5 n LEU 545 Ca -0.01 -4.61 -0.30 0.00 -0.03 0.00 0.00 56.01 51.06 3kn5 n LEU 545 Cb 0.84 -1.46 0.13 0.00 -2.33 0.00 0.00 43.42 40.60 3kn5 n LEU 545 CO 0.02 2.06 0.67 -0.54 -1.33 0.00 0.00 177.39 178.28 3kn5 s LYS 546 N 0.48 1.42 0.41 3.23 1.02 -1.26 -4.89 119.74 120.14 3kn5 s LYS 546 Ca 0.62 0.82 0.11 0.00 0.02 0.00 0.00 55.97 57.54 3kn5 s LYS 546 Cb 0.19 -1.83 0.93 0.00 -0.52 0.00 0.00 37.83 36.60 3kn5 s LYS 546 CO -0.08 -2.13 1.96 -1.35 -0.92 0.00 0.00 175.35 172.83 3kn5 h PRO 547 N -1.47 0.52 0.00 -1.68 0.11 -1.95 -2.15 132.00 125.38 3kn5 h PRO 547 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kn5 h PRO 547 Cb 1.28 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kn5 h PRO 547 CO 0.55 0.34 0.00 -0.85 -0.21 0.00 0.00 178.00 177.83 3kn5 n GLU 548 N -4.48 0.10 -0.59 1.05 0.28 -1.26 -2.16 120.64 113.58 3kn5 n GLU 548 Ca 0.11 0.06 0.07 0.00 -0.16 0.00 0.00 57.16 57.24 3kn5 n GLU 548 Cb 0.35 -1.50 0.31 0.00 1.43 0.00 0.00 31.44 32.04 3kn5 n GLU 548 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3kn5 n ASN 549 N -1.44 4.34 -4.03 -1.84 5.03 -0.81 -4.74 115.26 111.77 3kn5 n ASN 549 Ca 0.08 -2.48 -0.31 0.00 0.87 0.00 0.00 54.58 52.73 3kn5 n ASN 549 Cb 0.27 -0.56 -0.15 0.00 -1.02 0.00 0.00 39.78 38.31 3kn5 n ASN 549 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kn5 s LEU 550 N -1.80 2.97 0.08 3.41 1.43 -0.92 -1.52 118.68 122.33 3kn5 s LEU 550 Ca 0.44 -1.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.39 3kn5 s LEU 550 Cb 0.30 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 3kn5 s LEU 550 CO 0.19 -0.18 -0.17 -0.76 0.23 0.00 0.00 176.35 175.66 3kn5 s LEU 551 N 1.23 2.28 0.24 1.79 1.02 -0.32 -0.90 118.68 124.03 3kn5 s LEU 551 Ca -0.06 -0.64 -0.08 0.00 0.02 0.00 0.00 54.13 53.36 3kn5 s LEU 551 Cb -0.19 -0.68 -0.07 0.00 0.02 0.00 0.00 46.19 45.27 3kn5 s LEU 551 CO -0.06 -0.01 0.55 -0.36 0.02 0.00 0.00 176.35 176.48 3kn5 s PHE 552 N -1.21 3.44 0.24 0.29 0.08 -0.25 0.13 117.98 120.70 3kn5 s PHE 552 Ca 0.02 0.81 0.05 0.00 0.12 0.00 0.00 56.93 57.93 3kn5 s PHE 552 Cb -0.10 -2.22 0.26 0.00 -0.57 0.00 0.00 43.02 40.39 3kn5 s PHE 552 CO 0.03 0.24 1.57 1.79 -0.10 0.00 0.00 175.22 178.75 3kn5 h THR 553 N 1.82 1.38 0.00 0.64 1.35 -1.87 0.33 112.91 116.57 3kn5 h THR 553 Ca -0.47 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 3kn5 h THR 553 Cb 1.17 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 3kn5 h THR 553 CO 0.68 0.58 0.00 -0.90 -0.25 0.00 0.00 175.52 175.63 3kn5 n ASP 554 N -3.88 -0.27 -2.34 5.36 3.85 -1.26 0.03 116.55 118.04 3kn5 n ASP 554 Ca -0.02 0.08 -0.33 0.00 -0.71 0.00 0.00 54.79 53.80 3kn5 n ASP 554 Cb 0.61 0.51 0.06 0.00 -1.35 0.00 0.00 41.12 40.96 3kn5 n ASP 554 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3kn5 n LEU 559 N -2.61 7.15 -4.63 -2.12 7.99 -1.26 -3.85 117.00 117.67 3kn5 n LEU 559 Ca 0.00 -4.45 -0.42 0.00 -0.01 0.00 0.00 56.01 51.13 3kn5 n LEU 559 Cb 0.00 -0.87 -0.03 0.00 -0.11 0.00 0.00 43.42 42.41 3kn5 n LEU 559 CO 0.00 1.63 0.77 -1.61 -1.51 0.00 0.00 177.39 176.67 3kn5 s GLU 560 N -3.81 4.04 0.25 3.23 0.41 -1.26 -5.02 118.70 116.54 3kn5 s GLU 560 Ca 0.61 0.88 0.00 0.00 -0.41 0.00 0.00 54.97 56.05 3kn5 s GLU 560 Cb 0.48 -3.72 -0.04 0.00 -1.78 0.00 0.00 34.13 29.08 3kn5 s GLU 560 CO -0.05 -0.75 0.43 -1.50 -0.49 0.00 0.00 175.26 172.90 3kn5 s ILE 561 N 3.25 5.18 -0.01 -1.63 2.07 -1.26 -2.96 121.20 125.84 3kn5 s ILE 561 Ca 0.39 -0.46 -0.00 0.00 -1.41 0.00 0.00 60.65 59.17 3kn5 s ILE 561 Cb -0.13 -3.78 0.01 0.00 0.13 0.00 0.00 42.46 38.68 3kn5 s ILE 561 CO 0.13 -0.30 0.02 -0.54 -1.91 0.00 0.00 174.94 172.33 3kn5 s LYS 562 N -3.68 -0.01 -0.04 3.50 -0.14 0.12 -4.44 119.74 115.05 3kn5 s LYS 562 Ca 0.38 0.09 -0.19 0.00 -1.36 0.00 0.00 55.97 54.89 3kn5 s LYS 562 Cb -0.10 -0.11 -0.05 0.00 -1.68 0.00 0.00 37.83 35.89 3kn5 s LYS 562 CO 0.31 -0.07 0.52 0.42 -0.76 0.00 0.00 175.35 175.77 3kn5 s ILE 563 N 0.47 5.02 0.44 2.17 1.01 -0.48 -1.17 121.20 128.66 3kn5 s ILE 563 Ca -0.04 1.08 0.03 0.00 0.00 0.00 0.00 60.65 61.72 3kn5 s ILE 563 Cb -0.06 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 3kn5 s ILE 563 CO -0.01 0.42 0.09 0.27 0.00 0.00 0.00 174.94 175.70 3kn5 s ILE 564 N -0.09 0.79 -0.40 2.92 -4.36 -0.58 -1.24 121.20 118.24 3kn5 s ILE 564 Ca 0.28 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.53 3kn5 s ILE 564 Cb -0.17 -2.32 0.02 0.00 1.25 0.00 0.00 42.46 41.24 3kn5 s ILE 564 CO 0.14 0.00 0.55 -0.67 0.24 0.00 0.00 174.94 175.20 3kn5 n ASP 565 N -1.28 -7.64 -1.78 4.36 -0.08 -1.26 -4.89 116.55 103.98 3kn5 n ASP 565 Ca -0.10 0.54 -0.05 0.00 -1.51 0.00 0.00 54.79 53.68 3kn5 n ASP 565 Cb 0.66 -5.16 0.25 0.00 2.34 0.00 0.00 41.12 39.20 3kn5 n ASP 565 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3kn5 n PHE 566 N -0.27 2.02 0.30 -0.67 3.01 -1.26 -4.52 117.46 116.07 3kn5 n PHE 566 Ca 0.11 -1.01 0.19 0.00 1.01 0.00 0.00 57.45 57.75 3kn5 n PHE 566 Cb 0.42 -0.60 0.93 0.00 -0.01 0.00 0.00 39.48 40.22 3kn5 n PHE 566 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3kn5 h GLY 567 N 3.10 0.00 -1.15 1.37 0.00 -1.92 -2.65 103.07 101.82 3kn5 h GLY 567 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3kn5 h GLY 567 CO 0.61 0.00 -0.05 0.69 0.00 0.00 0.00 176.54 177.79 3kn5 n PHE 568 N -3.17 0.00 -1.01 5.60 3.72 -1.26 -4.90 117.46 116.44 3kn5 n PHE 568 Ca -0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.04 3kn5 n PHE 568 Cb 0.19 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.82 3kn5 n PHE 568 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kn5 n ALA 569 N 0.71 -2.75 -2.57 4.37 0.00 -1.00 -4.74 120.51 114.53 3kn5 n ALA 569 Ca 0.09 -0.47 -0.23 0.00 0.00 0.00 0.00 53.44 52.82 3kn5 n ALA 569 Cb 0.37 -1.69 -0.13 0.00 0.00 0.00 0.00 19.45 18.00 3kn5 n ALA 569 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kn5 s ARG 570 N -2.95 1.14 0.10 0.00 1.81 0.00 -4.94 118.95 114.10 3kn5 s ARG 570 Ca 0.57 -0.89 0.02 0.00 -1.72 0.00 0.00 55.73 53.71 3kn5 s ARG 570 Cb -0.26 -1.22 -0.04 0.00 -0.45 0.00 0.00 34.95 32.98 3kn5 s ARG 570 CO 0.67 0.30 0.17 -0.51 -0.68 0.00 0.00 175.30 175.25 3kn5 s LEU 571 N -1.27 4.08 -0.13 2.53 1.43 -1.26 -1.18 118.68 122.89 3kn5 s LEU 571 Ca 0.04 0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.95 3kn5 s LEU 571 Cb -0.09 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 3kn5 s LEU 571 CO 0.02 0.13 1.09 -0.75 0.23 0.00 0.00 176.35 177.07 3kn5 s LYS 572 N -2.69 4.35 0.32 1.70 2.20 -0.40 -4.92 119.74 120.31 3kn5 s LYS 572 Ca 0.32 1.49 -0.29 0.00 -0.36 0.00 0.00 55.97 57.13 3kn5 s LYS 572 Cb -0.12 -3.59 -0.10 0.00 -1.51 0.00 0.00 37.83 32.51 3kn5 s LYS 572 CO 0.25 -0.46 1.26 -2.14 -0.36 0.00 0.00 175.35 173.90 3kn5 s PRO 573 N 2.48 4.40 0.00 4.03 0.02 -1.26 -5.05 135.00 139.61 3kn5 s PRO 573 Ca 0.50 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3kn5 s PRO 573 Cb -0.20 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3kn5 s PRO 573 CO 0.16 -0.11 0.55 -2.30 -0.33 0.00 0.00 177.00 174.97 3kn5 n PRO 574 N 0.84 0.00 -2.73 5.54 -0.02 -1.26 -5.23 135.00 132.15 3kn5 n PRO 574 Ca -0.00 0.10 -0.04 0.00 -2.02 0.00 0.00 63.50 61.54 3kn5 n PRO 574 Cb 0.43 -1.51 0.07 0.00 -0.02 0.00 0.00 33.50 32.46 3kn5 n PRO 574 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3kn5 n ASN 597 N -1.05 0.34 -1.33 2.55 2.04 -1.26 -5.34 115.26 111.20 3kn5 n ASN 597 Ca 0.00 -2.35 0.08 0.00 -0.44 0.00 0.00 54.58 51.87 3kn5 n ASN 597 Cb 0.01 -0.01 0.30 0.00 -2.53 0.00 0.00 39.78 37.55 3kn5 n ASN 597 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3kn5 n GLY 598 N -0.61 2.20 3.56 4.83 0.00 -1.26 -4.89 105.19 109.02 3kn5 n GLY 598 Ca 0.01 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 3kn5 n GLY 598 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kn5 s TYR 599 N -1.63 1.65 -0.20 1.61 5.04 -1.26 -4.90 117.35 117.66 3kn5 s TYR 599 Ca 0.43 0.93 -0.01 0.00 -2.44 0.00 0.00 57.07 55.98 3kn5 s TYR 599 Cb 0.26 -3.92 0.06 0.00 0.35 0.00 0.00 41.96 38.71 3kn5 s TYR 599 CO 0.23 -1.75 -0.01 0.34 -1.34 0.00 0.00 175.55 173.02 3kn5 s ASP 600 N 8.68 3.16 0.15 4.32 2.15 -1.26 -5.00 116.67 128.86 3kn5 s ASP 600 Ca 0.75 -0.89 0.24 0.00 0.43 0.00 0.00 52.55 53.08 3kn5 s ASP 600 Cb -0.08 -0.82 0.92 0.00 -0.30 0.00 0.00 42.92 42.64 3kn5 s ASP 600 CO 0.03 -0.26 1.74 -0.62 -0.17 0.00 0.00 175.17 175.88 3kn5 n GLU 601 N 4.91 0.15 0.18 4.34 1.02 -1.26 -2.82 120.64 127.15 3kn5 n GLU 601 Ca -0.10 0.23 0.09 0.00 -0.02 0.00 0.00 57.16 57.36 3kn5 n GLU 601 Cb 0.46 -1.71 0.11 0.00 -0.02 0.00 0.00 31.44 30.28 3kn5 n GLU 601 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kn5 h SER 602 N 0.00 0.00 -0.63 1.62 4.64 -1.99 -3.24 113.55 113.94 3kn5 h SER 602 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3kn5 h SER 602 Cb 0.51 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.54 3kn5 h SER 602 CO 0.00 0.18 0.33 0.00 -0.87 0.00 0.00 176.83 176.47 3kn5 h ASP 604 N 0.62 0.54 -0.56 0.00 3.32 -1.75 -2.13 116.42 116.45 3kn5 h ASP 604 Ca 0.29 -0.36 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 3kn5 h ASP 604 Cb 0.20 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3kn5 h ASP 604 CO -0.19 1.11 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.29 3kn5 h LEU 605 N 0.30 1.04 -0.83 1.55 4.07 -1.53 -1.75 115.31 118.16 3kn5 h LEU 605 Ca -0.04 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 57.58 3kn5 h LEU 605 Cb 1.34 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 42.76 3kn5 h LEU 605 CO 0.13 1.13 0.49 -0.25 -1.08 0.00 0.00 178.44 178.85 3kn5 h TRP 606 N 0.93 1.11 -0.86 1.13 7.01 -0.94 -2.37 115.95 121.95 3kn5 h TRP 606 Ca 0.15 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 3kn5 h TRP 606 Cb 0.64 -0.36 -0.04 0.00 -2.10 0.00 0.00 29.16 27.30 3kn5 h TRP 606 CO 0.04 0.75 0.41 0.77 -2.79 0.00 0.00 178.44 177.62 3kn5 h SER 607 N 1.14 1.12 -0.48 2.65 0.02 -1.11 -1.88 113.55 115.02 3kn5 h SER 607 Ca 0.30 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3kn5 h SER 607 Cb -0.02 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 3kn5 h SER 607 CO -0.05 0.95 0.31 -0.07 -1.14 0.00 0.00 176.83 176.83 3kn5 h LEU 608 N 1.22 0.56 -0.72 5.07 3.38 -0.88 -1.18 115.31 122.76 3kn5 h LEU 608 Ca 0.29 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.27 3kn5 h LEU 608 Cb 0.12 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3kn5 h LEU 608 CO -0.04 0.42 0.45 1.23 0.09 0.00 0.00 178.44 180.59 3kn5 h GLY 609 N 0.65 1.05 0.97 0.83 0.00 -1.05 -0.29 103.07 105.24 3kn5 h GLY 609 Ca 0.18 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3kn5 h GLY 609 CO -0.04 0.27 0.22 -2.08 0.00 0.00 0.00 176.54 174.92 3kn5 h VAL 610 N 0.87 1.21 -0.45 4.60 2.07 -0.92 -0.33 116.25 123.29 3kn5 h VAL 610 Ca 0.30 -0.63 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 3kn5 h VAL 610 Cb 0.05 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3kn5 h VAL 610 CO -0.12 0.24 -0.15 0.40 0.02 0.00 0.00 177.57 177.96 3kn5 h ILE 611 N 0.69 1.26 -0.05 4.57 2.04 -0.92 -2.61 117.51 122.51 3kn5 h ILE 611 Ca 0.17 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 3kn5 h ILE 611 Cb 0.17 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3kn5 h ILE 611 CO -0.02 0.43 0.02 0.25 0.00 0.00 0.00 178.15 178.83 3kn5 h LEU 612 N 0.75 0.07 -0.37 1.44 6.46 -0.85 -0.30 115.31 122.51 3kn5 h LEU 612 Ca 0.12 -0.17 0.07 0.00 -0.12 0.00 0.00 57.88 57.78 3kn5 h LEU 612 Cb 0.66 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.49 3kn5 h LEU 612 CO 0.05 0.22 -0.40 0.22 -0.62 0.00 0.00 178.44 177.91 3kn5 h TYR 613 N -0.08 -1.14 -0.35 1.25 5.03 -0.86 0.47 116.97 121.28 3kn5 h TYR 613 Ca 0.02 0.06 -0.14 0.00 2.58 0.00 0.00 58.73 61.25 3kn5 h TYR 613 Cb 0.17 0.55 -0.01 0.00 1.55 0.00 0.00 36.73 38.99 3kn5 h TYR 613 CO -0.02 -0.43 -0.33 1.15 -1.32 0.00 0.00 178.16 177.22 3kn5 h THR 614 N -0.33 1.28 -1.00 1.81 2.02 -1.49 -2.38 112.91 112.81 3kn5 h THR 614 Ca 0.14 -1.48 0.15 0.00 0.77 0.00 0.00 66.41 65.99 3kn5 h THR 614 Cb 0.58 1.36 -0.09 0.00 -1.74 0.00 0.00 68.15 68.25 3kn5 h THR 614 CO -0.54 0.49 0.62 0.24 0.37 0.00 0.00 175.52 176.70 3kn5 h MET 615 N 0.65 0.87 0.00 6.66 2.86 -0.17 0.57 114.93 126.36 3kn5 h MET 615 Ca 0.07 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3kn5 h MET 615 Cb 0.86 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3kn5 h MET 615 CO 0.08 0.58 -0.65 -0.07 1.06 0.00 0.00 176.91 177.90 3kn5 h LEU 616 N 0.90 0.00 0.00 1.22 3.38 -0.72 -3.41 115.31 116.67 3kn5 h LEU 616 Ca 0.53 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3kn5 h LEU 616 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3kn5 h LEU 616 CO -0.31 0.10 -0.69 -1.54 0.09 0.00 0.00 178.44 176.08 3kn5 n SER 617 N -2.17 3.23 0.00 -0.43 3.41 -0.91 -4.63 113.62 112.11 3kn5 n SER 617 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3kn5 n SER 617 Cb 0.45 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 3kn5 n SER 617 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kn5 n GLY 618 N 2.44 0.50 3.36 5.00 0.00 0.19 -4.23 105.19 112.46 3kn5 n GLY 618 Ca 0.00 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 3kn5 n GLY 618 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kn5 s GLN 619 N -1.13 1.34 -0.08 1.61 -0.21 -1.26 -4.69 119.66 115.25 3kn5 s GLN 619 Ca 0.00 -1.37 -0.15 0.00 0.02 0.00 0.00 55.36 53.87 3kn5 s GLN 619 Cb 0.00 -1.65 -0.05 0.00 1.00 0.00 0.00 33.01 32.31 3kn5 s GLN 619 CO 0.00 0.37 0.38 0.08 -2.12 0.00 0.00 175.29 173.99 3kn5 s VAL 620 N -1.46 5.17 0.69 1.09 1.01 -1.26 -3.46 120.40 122.19 3kn5 s VAL 620 Ca 0.14 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 3kn5 s VAL 620 Cb -0.09 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.61 3kn5 s VAL 620 CO 0.07 0.47 1.07 -2.16 0.00 0.00 0.00 175.10 174.55 3kn5 s PRO 621 N -0.24 2.96 -0.64 2.72 0.04 -1.26 -4.20 135.00 134.39 3kn5 s PRO 621 Ca 0.22 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.93 3kn5 s PRO 621 Cb -0.15 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3kn5 s PRO 621 CO 0.09 -1.01 0.00 1.19 0.04 0.00 0.00 177.00 177.31 3kn5 n PHE 622 N -3.03 0.00 -3.06 0.56 3.72 -1.26 -5.01 117.46 109.38 3kn5 n PHE 622 Ca 0.07 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.34 3kn5 n PHE 622 Cb 0.55 -1.36 0.04 0.00 -0.94 0.00 0.00 39.48 37.78 3kn5 n PHE 622 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3kn5 n GLN 623 N -2.80 0.76 -1.54 -1.08 1.13 -1.26 -4.55 117.38 108.05 3kn5 n GLN 623 Ca -0.06 -1.98 -0.58 0.00 -1.94 0.00 0.00 57.00 52.44 3kn5 n GLN 623 Cb 0.20 -0.13 -0.09 0.00 0.11 0.00 0.00 30.24 30.33 3kn5 n GLN 623 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3kn5 n SER 624 N -2.55 1.76 0.17 1.08 3.41 -1.26 -4.82 113.62 111.41 3kn5 n SER 624 Ca 0.10 0.83 0.07 0.00 -0.26 0.00 0.00 58.87 59.60 3kn5 n SER 624 Cb 0.38 -1.08 0.56 0.00 -0.26 0.00 0.00 64.21 63.82 3kn5 n SER 624 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3kn5 h HIS 625 N 8.65 0.18 -3.12 7.33 3.86 -1.99 -3.32 115.15 126.74 3kn5 h HIS 625 Ca -0.32 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.33 3kn5 h HIS 625 Cb 1.35 -0.06 -0.08 0.00 1.06 0.00 0.00 27.41 29.68 3kn5 h HIS 625 CO 0.85 0.12 0.91 0.16 0.86 0.00 0.00 177.93 180.83 3kn5 s ASP 626 N -6.94 6.40 0.67 2.45 -4.77 -1.26 -5.01 116.67 108.22 3kn5 s ASP 626 Ca -0.06 -0.03 -0.16 0.00 -3.30 0.00 0.00 52.55 49.00 3kn5 s ASP 626 Cb 0.17 -2.53 0.01 0.00 -1.09 0.00 0.00 42.92 39.47 3kn5 s ASP 626 CO 0.69 -1.47 1.21 -0.13 0.70 0.00 0.00 175.17 176.17 3kn5 s ARG 627 N 4.85 2.51 0.04 2.11 3.00 -1.25 -4.88 118.95 125.33 3kn5 s ARG 627 Ca 0.40 1.77 0.00 0.00 0.00 0.00 0.00 55.73 57.90 3kn5 s ARG 627 Cb -0.08 -1.88 0.00 0.00 0.00 0.00 0.00 34.95 32.99 3kn5 s ARG 627 CO 0.23 -1.55 0.00 0.45 0.00 0.00 0.00 175.30 174.43 3kn5 n SER 628 N -2.25 0.00 0.00 0.23 2.88 -1.26 -5.00 113.62 108.22 3kn5 n SER 628 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 3kn5 n SER 628 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 3kn5 n SER 628 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3kn5 n LEU 629 N 0.00 0.00 -3.76 2.46 7.94 -1.26 -4.84 117.00 117.54 3kn5 n LEU 629 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 3kn5 n LEU 629 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 3kn5 n LEU 629 CO 0.00 0.00 0.03 -0.89 -1.11 0.00 0.00 177.39 175.42 3kn5 s THR 630 N 0.00 0.06 0.38 1.96 2.01 -1.26 -5.12 115.64 113.67 3kn5 s THR 630 Ca 0.00 -0.48 -0.27 0.00 0.31 0.00 0.00 61.69 61.25 3kn5 s THR 630 Cb 0.00 -0.63 -0.09 0.00 0.01 0.00 0.00 72.50 71.78 3kn5 s THR 630 CO 0.00 -0.26 1.30 0.00 -0.69 0.00 0.00 174.62 174.97 3kn5 n THR 632 N 0.36 0.00 -2.28 0.00 5.66 -1.26 -5.07 114.28 111.69 3kn5 n THR 632 Ca 0.02 -0.29 -0.29 0.00 -3.05 0.00 0.00 64.05 60.45 3kn5 n THR 632 Cb 0.43 -1.51 0.01 0.00 -1.55 0.00 0.00 70.33 67.71 3kn5 n THR 632 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3kn5 s SER 633 N -1.94 6.04 0.23 1.09 1.04 -1.26 -4.90 113.70 114.00 3kn5 s SER 633 Ca 0.15 1.06 -0.07 0.00 0.48 0.00 0.00 55.95 57.56 3kn5 s SER 633 Cb -0.01 -2.18 0.25 0.00 0.10 0.00 0.00 66.02 64.18 3kn5 s SER 633 CO 0.10 -0.84 1.89 0.00 0.98 0.00 0.00 173.24 175.37 3kn5 h ALA 634 N -0.11 1.14 -0.22 5.32 0.00 -1.98 -1.01 119.26 122.41 3kn5 h ALA 634 Ca -0.46 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 3kn5 h ALA 634 Cb 1.22 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3kn5 h ALA 634 CO 0.62 0.45 -0.48 0.28 0.00 0.00 0.00 179.25 180.12 3kn5 h VAL 635 N 1.13 1.31 0.27 0.00 2.07 -1.98 0.24 116.25 119.29 3kn5 h VAL 635 Ca 0.34 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 3kn5 h VAL 635 Cb -0.05 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3kn5 h VAL 635 CO -0.10 0.53 -0.36 -0.33 0.02 0.00 0.00 177.57 177.33 3kn5 h GLU 636 N 0.47 -0.63 -0.52 1.57 3.07 -1.80 -2.78 114.58 113.97 3kn5 h GLU 636 Ca 0.02 0.04 0.07 0.00 -0.50 0.00 0.00 59.36 58.99 3kn5 h GLU 636 Cb 1.01 0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 29.01 3kn5 h GLU 636 CO 0.09 -0.42 0.21 0.82 -1.40 0.00 0.00 179.01 178.31 3kn5 h ILE 637 N -0.65 0.86 -0.53 3.13 2.04 -1.06 -2.55 117.51 118.74 3kn5 h ILE 637 Ca -0.03 -0.14 0.11 0.00 1.00 0.00 0.00 64.86 65.80 3kn5 h ILE 637 Cb 0.59 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3kn5 h ILE 637 CO -0.09 0.07 0.36 -0.03 0.00 0.00 0.00 178.15 178.46 3kn5 h MET 638 N 0.40 0.23 0.10 2.37 4.05 -0.50 -1.39 114.93 120.20 3kn5 h MET 638 Ca 0.25 -0.01 -0.22 0.00 -0.28 0.00 0.00 59.70 59.43 3kn5 h MET 638 Cb 0.24 -0.05 0.02 0.00 -0.80 0.00 0.00 31.60 31.01 3kn5 h MET 638 CO -0.23 0.15 -0.91 -0.22 0.23 0.00 0.00 176.91 175.93 3kn5 h LYS 639 N 0.23 0.44 -0.91 0.39 3.64 -1.17 -2.88 116.57 116.31 3kn5 h LYS 639 Ca 0.25 -0.61 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3kn5 h LYS 639 Cb 0.66 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 3kn5 h LYS 639 CO -0.05 1.25 0.56 0.87 -2.27 0.00 0.00 179.45 179.81 3kn5 h LYS 640 N -0.09 1.24 0.04 1.90 1.57 -1.28 -2.34 116.57 117.61 3kn5 h LYS 640 Ca -0.14 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3kn5 h LYS 640 Cb 1.65 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 3kn5 h LYS 640 CO 0.17 0.86 -0.06 0.82 -0.57 0.00 0.00 179.45 180.68 3kn5 h ILE 641 N 1.26 0.86 0.00 1.86 2.04 -1.29 0.19 117.51 122.43 3kn5 h ILE 641 Ca 0.33 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.17 3kn5 h ILE 641 Cb -0.06 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3kn5 h ILE 641 CO -0.06 0.00 -0.10 0.07 0.00 0.00 0.00 178.15 178.06 3kn5 h LYS 642 N -0.12 0.00 -0.02 2.37 2.10 -1.38 -2.48 116.57 117.03 3kn5 h LYS 642 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 3kn5 h LYS 642 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3kn5 h LYS 642 CO -0.03 0.10 -0.05 1.17 -2.00 0.00 0.00 179.45 178.63 3kn5 n LYS 643 N -3.50 2.01 -3.57 0.07 0.00 -0.89 -4.82 118.16 107.45 3kn5 n LYS 643 Ca -0.02 -1.56 -0.21 0.00 0.00 0.00 0.00 58.31 56.53 3kn5 n LYS 643 Cb 0.24 -1.47 0.07 0.00 0.00 0.00 0.00 35.03 33.87 3kn5 n LYS 643 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kn5 n GLY 644 N 1.31 -0.43 3.10 3.14 0.00 0.32 -4.83 105.19 107.80 3kn5 n GLY 644 Ca 0.15 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 3kn5 n GLY 644 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kn5 n ASP 645 N -3.05 6.06 -4.42 1.61 -0.08 0.41 -4.83 116.55 112.25 3kn5 n ASP 645 Ca -0.15 -3.30 -0.25 0.00 -1.51 0.00 0.00 54.79 49.59 3kn5 n ASP 645 Cb 0.62 -1.29 -0.11 0.00 2.34 0.00 0.00 41.12 42.68 3kn5 n ASP 645 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3kn5 s PHE 646 N -2.31 2.19 0.14 -0.67 -0.71 -1.26 -4.40 117.98 110.96 3kn5 s PHE 646 Ca 0.31 -0.38 0.02 0.00 -1.04 0.00 0.00 56.93 55.84 3kn5 s PHE 646 Cb 0.00 -1.04 -0.04 0.00 -1.21 0.00 0.00 43.02 40.73 3kn5 s PHE 646 CO 0.04 0.53 -0.03 -1.12 -1.34 0.00 0.00 175.22 173.31 3kn5 s SER 647 N -2.96 1.17 -0.55 1.98 0.01 -1.26 -5.03 113.70 107.05 3kn5 s SER 647 Ca 0.23 -1.10 0.05 0.00 1.31 0.00 0.00 55.95 56.45 3kn5 s SER 647 Cb -0.06 0.11 0.35 0.00 0.21 0.00 0.00 66.02 66.63 3kn5 s SER 647 CO 0.11 -0.52 0.95 0.49 0.41 0.00 0.00 173.24 174.68 3kn5 n PHE 648 N -0.15 3.79 -4.52 2.43 3.72 -1.26 -5.02 117.46 116.45 3kn5 n PHE 648 Ca -0.09 -3.90 -0.27 0.00 -0.05 0.00 0.00 57.45 53.15 3kn5 n PHE 648 Cb 0.62 -0.44 -0.10 0.00 -0.94 0.00 0.00 39.48 38.61 3kn5 n PHE 648 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3kn5 s GLU 649 N -3.43 1.93 0.00 -1.08 2.02 -1.26 -4.75 118.70 112.13 3kn5 s GLU 649 Ca 0.48 -1.98 0.00 0.00 0.02 0.00 0.00 54.97 53.50 3kn5 s GLU 649 Cb 0.30 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.80 3kn5 s GLU 649 CO -0.14 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.60 3kn5 n GLY 650 N -0.91 1.94 0.08 -1.39 0.00 -1.26 -4.33 105.19 99.31 3kn5 n GLY 650 Ca -0.05 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.20 3kn5 n GLY 650 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kn5 n GLU 651 N 1.77 0.06 0.09 1.61 0.28 -1.26 -1.78 120.64 121.42 3kn5 n GLU 651 Ca 0.00 0.56 -0.12 0.00 -0.16 0.00 0.00 57.16 57.44 3kn5 n GLU 651 Cb 0.00 -1.71 -0.10 0.00 1.43 0.00 0.00 31.44 31.06 3kn5 n GLU 651 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kn5 h ALA 652 N 1.99 0.28 -0.02 -1.84 0.00 -1.93 -3.14 119.26 114.60 3kn5 h ALA 652 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3kn5 h ALA 652 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kn5 h ALA 652 CO 0.00 1.01 -0.11 0.91 0.00 0.00 0.00 179.25 181.06 3kn5 n TRP 653 N -3.54 0.00 -0.24 0.00 7.02 -0.73 -4.57 117.44 115.37 3kn5 n TRP 653 Ca -0.05 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.35 3kn5 n TRP 653 Cb 0.94 -0.02 -0.04 0.00 -2.42 0.00 0.00 31.31 29.77 3kn5 n TRP 653 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 3kn5 h LYS 654 N 2.85 -0.18 -0.01 -0.99 1.63 -1.47 -3.00 116.57 115.39 3kn5 h LYS 654 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3kn5 h LYS 654 Cb 0.68 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 3kn5 h LYS 654 CO 0.00 -0.12 -0.71 0.09 -3.45 0.00 0.00 179.45 175.25 3kn5 n ASN 655 N -5.40 1.25 -4.69 4.20 5.03 -1.26 -4.98 115.26 109.42 3kn5 n ASN 655 Ca 0.02 -1.13 -0.44 0.00 0.87 0.00 0.00 54.58 53.90 3kn5 n ASN 655 Cb 0.35 0.81 -0.04 0.00 -1.02 0.00 0.00 39.78 39.88 3kn5 n ASN 655 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3kn5 n VAL 656 N -0.93 0.08 -1.47 2.41 0.31 -1.14 -4.89 118.33 112.70 3kn5 n VAL 656 Ca 0.05 -0.02 -0.37 0.00 -0.01 0.00 0.00 64.34 64.00 3kn5 n VAL 656 Cb 0.34 -1.69 0.07 0.00 -0.91 0.00 0.00 33.84 31.64 3kn5 n VAL 656 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kn5 n SER 657 N 3.49 0.39 0.25 4.52 3.41 -1.26 -4.88 113.62 119.55 3kn5 n SER 657 Ca 0.16 0.72 0.13 0.00 -0.26 0.00 0.00 58.87 59.62 3kn5 n SER 657 Cb 0.31 -1.37 0.59 0.00 -0.26 0.00 0.00 64.21 63.47 3kn5 n SER 657 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3kn5 h GLN 658 N 0.07 0.00 -0.21 4.33 5.75 -1.99 -2.97 115.11 120.09 3kn5 h GLN 658 Ca -0.48 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 57.90 3kn5 h GLN 658 Cb 1.35 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.90 3kn5 h GLN 658 CO 0.48 0.13 -0.34 0.93 -2.65 0.00 0.00 178.83 177.38 3kn5 h GLU 659 N 0.00 0.60 -0.38 1.69 3.07 -1.99 -1.70 114.58 115.87 3kn5 h GLU 659 Ca -0.00 -0.37 0.04 0.00 -0.50 0.00 0.00 59.36 58.53 3kn5 h GLU 659 Cb 0.60 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.51 3kn5 h GLU 659 CO 0.02 0.98 0.15 0.00 -1.40 0.00 0.00 179.01 178.75 3kn5 h ALA 660 N 0.62 0.46 -0.13 3.43 0.00 -1.91 -1.81 119.26 119.92 3kn5 h ALA 660 Ca 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3kn5 h ALA 660 Cb 0.93 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3kn5 h ALA 660 CO 0.08 -0.23 -0.12 0.87 0.00 0.00 0.00 179.25 179.84 3kn5 h LYS 661 N 0.32 0.19 0.03 0.00 1.57 -1.37 -1.03 116.57 116.28 3kn5 h LYS 661 Ca 0.17 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.69 3kn5 h LYS 661 Cb 0.13 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3kn5 h LYS 661 CO -0.16 0.33 -0.97 -0.44 -0.57 0.00 0.00 179.45 177.64 3kn5 h ASP 662 N 0.19 0.37 0.48 0.86 3.32 -1.01 -1.32 116.42 119.31 3kn5 h ASP 662 Ca 0.04 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 3kn5 h ASP 662 Cb 0.34 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3kn5 h ASP 662 CO 0.02 1.14 -0.23 0.25 -1.72 0.00 0.00 179.24 178.70 3kn5 h LEU 663 N 0.14 -0.55 -0.90 1.55 5.85 -0.49 -1.67 115.31 119.24 3kn5 h LEU 663 Ca -0.07 -0.08 0.25 0.00 0.84 0.00 0.00 57.88 58.82 3kn5 h LEU 663 Cb 1.63 0.14 -0.15 0.00 0.37 0.00 0.00 40.66 42.65 3kn5 h LEU 663 CO 0.16 -0.20 0.23 0.40 -0.34 0.00 0.00 178.44 178.69 3kn5 h ILE 664 N -0.94 0.26 -0.15 4.05 2.04 -1.28 -0.56 117.51 120.93 3kn5 h ILE 664 Ca -0.07 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 3kn5 h ILE 664 Cb 0.59 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3kn5 h ILE 664 CO 0.11 0.03 -0.16 -0.61 0.00 0.00 0.00 178.15 177.52 3kn5 h GLN 665 N 0.18 0.24 0.00 2.37 4.15 -0.89 -1.39 115.11 119.76 3kn5 h GLN 665 Ca 0.58 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.91 3kn5 h GLN 665 Cb 1.19 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 3kn5 h GLN 665 CO -0.69 0.41 -0.13 0.78 -1.93 0.00 0.00 178.83 177.27 3kn5 h GLY 666 N 0.81 0.00 0.80 2.39 0.00 -0.15 -2.05 103.07 104.86 3kn5 h GLY 666 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.04 3kn5 h GLY 666 CO 0.03 0.00 -1.85 1.41 0.00 0.00 0.00 176.54 176.12 3kn5 h LEU 667 N 0.00 0.26 0.00 3.11 3.38 -0.98 0.13 115.31 121.21 3kn5 h LEU 667 Ca -0.00 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3kn5 h LEU 667 Cb 0.74 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kn5 h LEU 667 CO 0.02 1.50 -0.96 0.18 0.09 0.00 0.00 178.44 179.27 3kn5 n LEU 668 N -3.31 0.68 -4.71 1.67 4.77 -0.62 -4.30 117.00 111.18 3kn5 n LEU 668 Ca -0.25 -0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.13 3kn5 n LEU 668 Cb 1.05 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 42.02 3kn5 n LEU 668 CO 0.44 0.13 0.94 0.28 -1.33 0.00 0.00 177.39 177.86 3kn5 s THR 669 N -3.11 3.78 -0.34 -5.08 -1.32 -0.77 -4.72 115.64 104.09 3kn5 s THR 669 Ca 0.06 1.28 -0.01 0.00 -1.21 0.00 0.00 61.69 61.82 3kn5 s THR 669 Cb 0.16 -3.82 0.13 0.00 -1.51 0.00 0.00 72.50 67.46 3kn5 s THR 669 CO 0.81 0.10 0.20 0.68 -2.21 0.00 0.00 174.62 174.20 3kn5 s VAL 670 N 1.07 0.08 0.00 5.08 -7.23 -1.26 -4.66 120.40 113.47 3kn5 s VAL 670 Ca 0.61 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 3kn5 s VAL 670 Cb -0.32 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.55 3kn5 s VAL 670 CO 0.30 -0.93 0.00 0.47 -0.31 0.00 0.00 175.10 174.62 3kn5 n ASP 671 N 4.25 0.00 -0.09 4.85 9.92 -1.26 -4.08 116.55 130.14 3kn5 n ASP 671 Ca 0.09 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.23 3kn5 n ASP 671 Cb 0.38 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.82 3kn5 n ASP 671 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 3kn5 n PRO 672 N 0.00 0.51 0.00 -0.24 -0.05 -1.26 -4.77 135.00 129.19 3kn5 n PRO 672 Ca 0.00 0.39 0.00 0.00 -0.05 0.00 0.00 63.50 63.84 3kn5 n PRO 672 Cb 0.00 -1.59 0.00 0.00 -0.05 0.00 0.00 33.50 31.86 3kn5 n PRO 672 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 3kn5 n ASN 673 N -4.49 0.00 0.00 3.54 6.94 -1.26 -4.22 115.26 115.77 3kn5 n ASN 673 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.37 3kn5 n ASN 673 Cb 0.49 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 3kn5 n ASN 673 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3kn5 n LYS 674 N 0.00 0.00 -1.84 -3.83 5.02 -1.26 -5.11 118.16 111.14 3kn5 n LYS 674 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3kn5 n LYS 674 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3kn5 n LYS 674 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3kn5 s ARG 675 N 0.00 3.96 0.35 1.97 1.70 -1.26 -4.69 118.95 120.99 3kn5 s ARG 675 Ca 0.00 2.25 -0.27 0.00 -0.47 0.00 0.00 55.73 57.24 3kn5 s ARG 675 Cb 0.00 -4.11 -0.09 0.00 -0.57 0.00 0.00 34.95 30.17 3kn5 s ARG 675 CO 0.00 -1.13 1.19 -0.51 -1.08 0.00 0.00 175.30 173.77 3kn5 s LEU 676 N 4.96 4.35 0.53 -1.89 1.02 0.44 -5.04 118.68 123.05 3kn5 s LEU 676 Ca 0.83 2.42 0.05 0.00 0.02 0.00 0.00 54.13 57.45 3kn5 s LEU 676 Cb -0.36 -3.82 0.02 0.00 0.02 0.00 0.00 46.19 42.06 3kn5 s LEU 676 CO 0.35 -0.50 0.31 -0.54 0.02 0.00 0.00 176.35 175.98 3kn5 s LYS 677 N -1.95 2.25 0.15 1.70 1.02 -1.26 -4.87 119.74 116.78 3kn5 s LYS 677 Ca 0.52 -2.09 -0.13 0.00 0.02 0.00 0.00 55.97 54.29 3kn5 s LYS 677 Cb -0.34 -1.97 0.02 0.00 -0.52 0.00 0.00 37.83 35.02 3kn5 s LYS 677 CO 0.43 -0.53 1.63 1.98 -0.92 0.00 0.00 175.35 177.94 3kn5 h MET 678 N 0.92 0.80 -0.19 1.68 1.85 -1.97 0.31 114.93 118.32 3kn5 h MET 678 Ca -0.39 -0.21 0.06 0.00 -0.61 0.00 0.00 59.70 58.55 3kn5 h MET 678 Cb 1.30 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 33.23 3kn5 h MET 678 CO 0.61 0.80 0.14 0.66 -0.40 0.00 0.00 176.91 178.73 3kn5 h SER 679 N 0.67 0.00 0.16 1.39 4.64 -2.01 -2.34 113.55 116.07 3kn5 h SER 679 Ca 0.15 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.11 3kn5 h SER 679 Cb 0.39 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 3kn5 h SER 679 CO 0.01 0.00 -2.13 0.61 -0.87 0.00 0.00 176.83 174.45 3kn5 n GLY 680 N -1.57 -0.73 0.27 -0.77 0.00 -1.09 -4.36 105.19 96.95 3kn5 n GLY 680 Ca 0.02 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.88 3kn5 n GLY 680 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kn5 h LEU 681 N 0.02 0.19 -0.21 0.99 6.46 0.10 -0.53 115.31 122.33 3kn5 h LEU 681 Ca -0.45 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 3kn5 h LEU 681 Cb 2.05 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 42.10 3kn5 h LEU 681 CO 0.03 0.05 0.00 -2.11 -0.62 0.00 0.00 178.44 175.79 3kn5 n ARG 682 N -5.06 0.03 -0.14 1.25 1.85 -0.92 -1.73 116.66 111.95 3kn5 n ARG 682 Ca 0.14 0.39 0.11 0.00 -1.00 0.00 0.00 57.85 57.50 3kn5 n ARG 682 Cb 0.43 -1.58 0.18 0.00 -1.05 0.00 0.00 32.46 30.44 3kn5 n ARG 682 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3kn5 n TYR 683 N -1.65 0.36 -2.02 2.89 4.01 -0.21 -4.90 117.16 115.63 3kn5 n TYR 683 Ca 0.02 -0.19 -0.42 0.00 -0.16 0.00 0.00 57.90 57.15 3kn5 n TYR 683 Cb 0.10 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 3kn5 n TYR 683 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3kn5 s ASN 684 N -1.55 6.68 0.24 7.72 2.47 -0.70 -4.89 114.94 124.90 3kn5 s ASN 684 Ca 0.34 2.40 -0.04 0.00 0.42 0.00 0.00 52.86 55.97 3kn5 s ASN 684 Cb 0.21 -2.57 0.40 0.00 -1.45 0.00 0.00 41.25 37.84 3kn5 s ASN 684 CO 0.30 -0.82 1.80 1.05 -3.72 0.00 0.00 177.10 175.71 3kn5 h GLU 685 N 7.88 0.71 -0.02 0.43 4.11 -1.93 -0.87 114.58 124.90 3kn5 h GLU 685 Ca -0.41 -0.04 0.01 0.00 0.07 0.00 0.00 59.36 58.98 3kn5 h GLU 685 Cb 1.20 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3kn5 h GLU 685 CO 0.92 0.47 0.03 2.35 0.07 0.00 0.00 179.01 182.85 3kn5 h TRP 686 N 0.74 0.00 0.00 2.06 7.01 -1.90 -2.35 115.95 121.51 3kn5 h TRP 686 Ca 0.39 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.39 3kn5 h TRP 686 Cb 0.39 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 3kn5 h TRP 686 CO -0.07 0.00 -1.01 1.28 -2.79 0.00 0.00 178.44 175.85 3kn5 n LEU 687 N -3.52 0.62 -4.77 0.65 4.32 -0.35 -4.95 117.00 109.00 3kn5 n LEU 687 Ca -0.02 0.02 -0.40 0.00 -0.02 0.00 0.00 56.01 55.59 3kn5 n LEU 687 Cb 0.11 -0.10 -0.01 0.00 -1.62 0.00 0.00 43.42 41.80 3kn5 n LEU 687 CO 0.24 0.02 0.94 -1.10 -1.22 0.00 0.00 177.39 176.27 3kn5 s GLN 688 N -3.21 4.14 0.27 3.23 -1.52 -0.88 -4.90 119.66 116.78 3kn5 s GLN 688 Ca 0.03 2.10 -0.02 0.00 -1.95 0.00 0.00 55.36 55.52 3kn5 s GLN 688 Cb 0.14 -2.86 0.36 0.00 -0.22 0.00 0.00 33.01 30.43 3kn5 s GLN 688 CO 0.80 -0.33 1.81 0.22 -0.25 0.00 0.00 175.29 177.54 3kn5 h ASP 689 N 2.95 0.81 -0.05 5.90 1.82 -1.92 -2.91 116.42 123.02 3kn5 h ASP 689 Ca -0.49 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.00 3kn5 h ASP 689 Cb 1.24 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.03 3kn5 h ASP 689 CO 0.64 0.80 0.00 0.61 -1.61 0.00 0.00 179.24 179.67 3kn5 n GLY 690 N -0.83 -0.45 3.71 -0.78 0.00 -1.26 -4.77 105.19 100.81 3kn5 n GLY 690 Ca 0.04 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3kn5 n GLY 690 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kn5 s SER 691 N -1.75 7.37 -0.11 1.61 0.01 -1.10 -5.04 113.70 114.69 3kn5 s SER 691 Ca 0.35 1.71 -0.21 0.00 1.31 0.00 0.00 55.95 59.12 3kn5 s SER 691 Cb 0.18 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 3kn5 s SER 691 CO 0.29 -0.24 0.60 -1.10 0.41 0.00 0.00 173.24 173.20 3kn5 s GLN 692 N 0.82 4.35 0.37 12.44 1.11 -1.26 -4.97 119.66 132.53 3kn5 s GLN 692 Ca 0.51 0.66 0.08 0.00 0.01 0.00 0.00 55.36 56.62 3kn5 s GLN 692 Cb -0.22 -3.47 -0.05 0.00 -1.01 0.00 0.00 33.01 28.26 3kn5 s GLN 692 CO 0.28 0.04 0.10 -0.51 0.01 0.00 0.00 175.29 175.22 3kn5 s LEU 693 N 0.96 3.09 0.50 2.90 1.43 -1.26 -5.10 118.68 121.20 3kn5 s LEU 693 Ca 0.31 -1.00 -0.23 0.00 -1.03 0.00 0.00 54.13 52.18 3kn5 s LEU 693 Cb -0.16 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.56 3kn5 s LEU 693 CO 0.13 -0.38 1.36 -0.55 0.23 0.00 0.00 176.35 177.14 3kn5 s SER 694 N -3.82 5.56 -0.13 2.29 0.15 -1.26 -4.86 113.70 111.63 3kn5 s SER 694 Ca 0.38 2.78 0.16 0.00 0.70 0.00 0.00 55.95 59.97 3kn5 s SER 694 Cb 0.02 -2.64 0.61 0.00 -1.71 0.00 0.00 66.02 62.30 3kn5 s SER 694 CO 0.21 -1.38 1.52 -1.20 1.20 0.00 0.00 173.24 173.60 3kn5 n SER 695 N -0.68 4.35 -4.68 5.45 7.64 -1.26 -3.56 113.62 120.88 3kn5 n SER 695 Ca 0.08 -2.61 -0.44 0.00 1.01 0.00 0.00 58.87 56.91 3kn5 n SER 695 Cb 0.44 -0.53 -0.04 0.00 -1.01 0.00 0.00 64.21 63.08 3kn5 n SER 695 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kn5 n ASN 696 N 0.46 3.82 -4.63 6.43 4.13 -1.26 -4.76 115.26 119.45 3kn5 n ASN 696 Ca 0.22 0.97 -0.49 0.00 1.68 0.00 0.00 54.58 56.96 3kn5 n ASN 696 Cb 0.86 -1.48 -0.05 0.00 -1.54 0.00 0.00 39.78 37.56 3kn5 n ASN 696 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3kn5 n PRO 697 N 6.15 1.81 -1.28 3.52 -0.02 -1.26 -4.12 135.00 139.79 3kn5 n PRO 697 Ca 0.20 0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 62.01 3kn5 n PRO 697 Cb 0.35 -2.61 0.16 0.00 -0.02 0.00 0.00 33.50 31.39 3kn5 n PRO 697 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kn5 s LEU 698 N 5.14 1.74 0.00 2.45 1.43 0.20 -4.93 118.68 124.71 3kn5 s LEU 698 Ca 0.98 1.13 0.25 0.00 -1.03 0.00 0.00 54.13 55.46 3kn5 s LEU 698 Cb -0.73 -3.37 0.97 0.00 0.03 0.00 0.00 46.19 43.09 3kn5 s LEU 698 CO 0.51 -2.95 1.69 0.23 0.23 0.00 0.00 176.35 176.06 3kn5 n MET 699 N -4.05 1.63 -0.01 1.70 2.81 -1.26 -4.47 117.12 113.46 3kn5 n MET 699 Ca 0.06 -0.93 -0.18 0.00 -1.81 0.00 0.00 57.70 54.84 3kn5 n MET 699 Cb 0.58 -1.44 -0.08 0.00 -0.71 0.00 0.00 33.22 31.57 3kn5 n MET 699 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kn5 h THR 700 N 2.07 1.30 0.00 2.03 1.03 -1.85 -1.73 112.91 115.77 3kn5 h THR 700 Ca 0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 66.41 64.42 3kn5 h THR 700 Cb 0.45 2.12 0.00 0.00 -1.07 0.00 0.00 68.15 69.64 3kn5 h THR 700 CO 0.00 0.62 0.03 -0.65 -0.01 0.00 0.00 175.52 175.50 3kn5 h PRO 701 N 0.39 0.00 0.34 0.00 0.11 -1.78 -0.11 132.00 130.95 3kn5 h PRO 701 Ca -0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 3kn5 h PRO 701 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 3kn5 h PRO 701 CO 0.15 0.00 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.34 3kn5 h ASP 702 N 0.00 -0.39 -0.08 -2.05 5.19 -1.68 -2.91 116.42 114.51 3kn5 h ASP 702 Ca 0.00 -0.08 -0.10 0.00 -0.62 0.00 0.00 57.03 56.24 3kn5 h ASP 702 Cb 0.05 0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.66 3kn5 h ASP 702 CO 0.00 0.07 -0.33 0.40 -3.12 0.00 0.00 179.24 176.27 3kn5 h ILE 703 N -1.07 1.41 -0.95 0.35 2.04 -0.85 -2.37 117.51 116.08 3kn5 h ILE 703 Ca -0.05 -1.70 0.17 0.00 1.00 0.00 0.00 64.86 64.29 3kn5 h ILE 703 Cb 0.44 2.26 -0.08 0.00 -0.74 0.00 0.00 36.82 38.70 3kn5 h ILE 703 CO 0.08 0.49 0.60 -0.07 0.00 0.00 0.00 178.15 179.25 3kn5 h LEU 704 N -0.10 0.68 -0.02 1.44 4.07 -1.21 -0.89 115.31 119.27 3kn5 h LEU 704 Ca -0.02 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3kn5 h LEU 704 Cb 0.97 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.64 3kn5 h LEU 704 CO 0.07 0.29 0.00 0.61 -1.08 0.00 0.00 178.44 178.33 3kn5 n GLY 705 N -1.41 -0.95 0.00 0.83 0.00 -0.90 -0.99 105.19 101.77 3kn5 n GLY 705 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3kn5 n GLY 705 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kn5 n SER 706 N -1.52 0.07 -1.56 1.61 3.41 -0.45 -4.86 113.62 110.33 3kn5 n SER 706 Ca 0.03 -0.42 -0.04 0.00 -0.26 0.00 0.00 58.87 58.19 3kn5 n SER 706 Cb 0.15 0.62 0.01 0.00 -0.26 0.00 0.00 64.21 64.73 3kn5 n SER 706 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kn5 n SER 707 N -0.62 -0.96 0.00 4.04 3.41 -0.57 -4.97 113.62 113.95 3kn5 n SER 707 Ca 0.00 -1.76 0.11 0.00 -0.26 0.00 0.00 58.87 56.96 3kn5 n SER 707 Cb 0.01 0.37 0.53 0.00 -0.26 0.00 0.00 64.21 64.86 3kn5 n SER 707 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kn5 n GLY 708 N -0.53 -1.19 0.14 5.00 0.00 -0.16 -2.43 105.19 106.02 3kn5 n GLY 708 Ca -0.19 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 3kn5 n GLY 708 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kn5 h ALA 709 N 2.92 0.01 -0.58 4.61 0.00 -1.94 -2.49 119.26 121.79 3kn5 h ALA 709 Ca 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 54.91 53.90 3kn5 h ALA 709 Cb 0.32 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3kn5 h ALA 709 CO 0.00 0.79 0.22 0.00 0.00 0.00 0.00 179.25 180.26 3kn5 h ALA 710 N 0.10 1.30 -0.25 0.00 0.00 -1.93 -2.43 119.26 116.05 3kn5 h ALA 710 Ca -0.28 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 3kn5 h ALA 710 Cb 2.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 3kn5 h ALA 710 CO 0.19 0.52 -0.02 0.28 0.00 0.00 0.00 179.25 180.22 3kn5 h VAL 711 N 0.84 1.27 -0.78 0.00 2.07 -1.56 -0.72 116.25 117.36 3kn5 h VAL 711 Ca 0.20 -0.97 0.13 0.00 0.82 0.00 0.00 66.70 66.88 3kn5 h VAL 711 Cb 0.18 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3kn5 h VAL 711 CO -0.02 0.30 0.52 -0.74 0.02 0.00 0.00 177.57 177.65 3kn5 h HIS 712 N 0.22 0.62 0.00 1.57 2.76 -1.20 0.22 115.15 119.34 3kn5 h HIS 712 Ca 0.07 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 3kn5 h HIS 712 Cb 0.46 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.22 3kn5 h HIS 712 CO 0.04 0.25 -0.08 1.15 -1.30 0.00 0.00 177.93 177.99 3kn5 h THR 713 N 0.54 1.62 -0.14 6.26 2.02 -1.24 -2.99 112.91 118.98 3kn5 h THR 713 Ca 0.38 -1.92 -0.05 0.00 0.77 0.00 0.00 66.41 65.59 3kn5 h THR 713 Cb 0.72 2.90 -0.01 0.00 -1.74 0.00 0.00 68.15 70.02 3kn5 h THR 713 CO -0.14 0.51 -0.13 0.00 0.37 0.00 0.00 175.52 176.13 3kn5 h VAL 715 N 0.21 1.28 -0.66 0.00 2.07 -0.68 -1.96 116.25 116.51 3kn5 h VAL 715 Ca 0.04 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.31 3kn5 h VAL 715 Cb 0.37 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3kn5 h VAL 715 CO 0.02 0.42 0.42 0.11 0.02 0.00 0.00 177.57 178.56 3kn5 h LYS 716 N 0.54 0.88 -0.92 1.57 1.57 -1.27 -1.98 116.57 116.96 3kn5 h LYS 716 Ca 0.09 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3kn5 h LYS 716 Cb 0.69 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 3kn5 h LYS 716 CO 0.05 0.60 0.60 0.00 -0.57 0.00 0.00 179.45 180.13 3kn5 h ALA 717 N 1.23 1.33 -0.07 3.86 0.00 -1.09 -0.99 119.26 123.53 3kn5 h ALA 717 Ca 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kn5 h ALA 717 Cb -0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.34 3kn5 h ALA 717 CO -0.05 0.62 0.00 1.15 0.00 0.00 0.00 179.25 180.97 3kn5 h THR 718 N 1.25 1.24 -0.97 0.00 2.02 -0.80 0.20 112.91 115.85 3kn5 h THR 718 Ca 0.34 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3kn5 h THR 718 Cb -0.13 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 3kn5 h THR 718 CO -0.07 0.20 0.61 -0.26 0.37 0.00 0.00 175.52 176.37 3kn5 h PHE 719 N -0.16 1.26 -0.38 3.16 0.04 -1.28 -1.09 116.94 118.49 3kn5 h PHE 719 Ca 0.02 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.85 3kn5 h PHE 719 Cb 0.32 -0.42 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 3kn5 h PHE 719 CO 0.03 0.82 0.12 1.25 -0.60 0.00 0.00 178.31 179.93 3kn5 h HIS 720 N 1.33 0.22 -0.71 -0.55 2.76 -0.95 -1.52 115.15 115.73 3kn5 h HIS 720 Ca 0.35 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.47 3kn5 h HIS 720 Cb -0.10 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 28.79 3kn5 h HIS 720 CO 0.00 0.08 0.17 0.00 -1.30 0.00 0.00 177.93 176.88 3kn5 h ALA 721 N 1.25 0.95 -0.93 5.26 0.00 -0.43 -1.63 119.26 123.74 3kn5 h ALA 721 Ca 0.17 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kn5 h ALA 721 Cb 0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3kn5 h ALA 721 CO -0.19 0.67 0.61 0.35 0.00 0.00 0.00 179.25 180.69 3kn5 h PHE 722 N 1.08 1.14 0.05 0.00 3.57 -0.84 0.14 116.94 122.08 3kn5 h PHE 722 Ca 0.22 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 3kn5 h PHE 722 Cb 0.38 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3kn5 h PHE 722 CO 0.03 0.67 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.85 3kn5 h ASN 723 N 1.19 -0.06 -0.30 0.41 -0.26 -0.85 0.20 115.58 115.92 3kn5 h ASN 723 Ca 0.36 -0.20 0.07 0.00 -0.56 0.00 0.00 56.30 55.97 3kn5 h ASN 723 Cb -0.04 0.02 -0.07 0.00 -1.06 0.00 0.00 38.32 37.17 3kn5 h ASN 723 CO -0.11 0.16 -0.21 0.50 -1.06 0.00 0.00 177.43 176.72 3kn5 h LYS 724 N -0.29 -0.18 -0.64 0.81 3.64 -1.02 0.28 116.57 119.17 3kn5 h LYS 724 Ca -0.01 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3kn5 h LYS 724 Cb 0.26 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 3kn5 h LYS 724 CO 0.01 -0.12 0.43 -0.92 -2.27 0.00 0.00 179.45 176.58 3kn5 h TYR 725 N -0.19 0.51 0.00 1.91 3.20 -0.60 0.10 116.97 121.90 3kn5 h TYR 725 Ca 0.16 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 3kn5 h TYR 725 Cb 0.43 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3kn5 h TYR 725 CO -0.40 0.24 -0.43 0.87 -1.64 0.00 0.00 178.16 176.81 3kn5 h LYS 726 N 0.48 0.00 0.03 1.82 1.79 0.22 -3.16 116.57 117.74 3kn5 h LYS 726 Ca 0.29 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.67 3kn5 h LYS 726 Cb 0.52 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.18 3kn5 h LYS 726 CO -0.09 0.43 -0.39 0.00 -1.08 0.00 0.00 179.45 178.32 3kn5 h ARG 727 N 0.00 0.22 -4.33 3.15 3.08 0.66 -3.39 114.38 113.77 3kn5 h ARG 727 Ca -0.00 -0.27 -0.75 0.00 0.07 0.00 0.00 59.98 59.03 3kn5 h ARG 727 Cb 1.13 0.08 -0.22 0.00 0.08 0.00 0.00 29.97 31.04 3kn5 h ARG 727 CO 0.06 1.03 0.37 -1.21 -1.07 0.00 0.00 179.97 179.14 3kn5 s GLU 728 N -2.88 3.56 0.00 0.04 2.02 0.23 -5.11 118.70 116.56 3kn5 s GLU 728 Ca -0.15 -2.12 0.00 0.00 0.02 0.00 0.00 54.97 52.71 3kn5 s GLU 728 Cb 0.01 -4.60 0.00 0.00 0.10 0.00 0.00 34.13 29.64 3kn5 s GLU 728 CO 0.77 -1.48 0.00 0.41 0.02 0.00 0.00 175.26 174.97