#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 6.91 0.42 4.39 -0.00 -1.26 -5.01 116.67 122.13 3kn5 s ASP 416 Ca 0.00 1.64 -0.26 0.00 -0.00 0.00 0.00 52.55 53.93 3kn5 s ASP 416 Cb 0.00 -2.52 -0.10 0.00 -0.00 0.00 0.00 42.92 40.31 3kn5 s ASP 416 CO 0.00 -0.35 1.35 -1.54 -0.00 0.00 0.00 175.17 174.64 3kn5 n SER 417 N -0.62 2.98 -0.24 0.27 3.41 -1.26 -4.82 113.62 113.33 3kn5 n SER 417 Ca 0.07 1.13 0.25 0.00 -0.26 0.00 0.00 58.87 60.06 3kn5 n SER 417 Cb 0.54 -1.55 0.63 0.00 -0.26 0.00 0.00 64.21 63.57 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 2.27 0.18 -0.51 4.33 0.11 -1.95 -1.83 132.00 134.61 3kn5 h PRO 418 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3kn5 h PRO 418 Cb 1.28 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3kn5 h PRO 418 CO 0.61 0.12 0.27 0.35 -0.21 0.00 0.00 178.00 179.14 3kn5 h PHE 419 N 0.19 0.70 0.00 0.65 3.57 -1.89 -2.74 116.94 117.42 3kn5 h PHE 419 Ca 0.48 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.95 3kn5 h PHE 419 Cb 1.58 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 40.09 3kn5 h PHE 419 CO -0.00 0.52 -0.05 1.88 -2.23 0.00 0.00 178.31 178.43 3kn5 h TYR 420 N 0.68 0.00 0.00 0.41 0.05 -1.55 0.20 116.97 116.76 3kn5 h TYR 420 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 3kn5 h TYR 420 Cb 0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.80 3kn5 h TYR 420 CO -0.02 0.05 0.00 1.04 -1.05 0.00 0.00 178.16 178.19 3kn5 n GLN 421 N -3.19 0.34 0.00 4.88 6.02 -1.03 -4.01 117.38 120.38 3kn5 n GLN 421 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3kn5 n GLN 421 Cb 0.31 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.07 3kn5 n GLN 421 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3kn5 n HIS 422 N -1.29 0.00 -4.30 1.08 8.25 -0.74 -4.99 115.22 113.23 3kn5 n HIS 422 Ca 0.12 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.38 3kn5 n HIS 422 Cb 0.20 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.20 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 -1.78 1.65 -0.20 4.41 2.02 -0.02 -0.67 117.35 122.76 3kn5 s TYR 423 Ca 0.00 -0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 56.15 3kn5 s TYR 423 Cb 0.00 -0.83 -0.01 0.00 -0.40 0.00 0.00 41.96 40.72 3kn5 s TYR 423 CO 0.00 0.26 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.67 3kn5 s ASP 424 N -2.66 4.27 0.14 2.29 1.01 -0.50 -4.45 116.67 116.77 3kn5 s ASP 424 Ca 0.14 -0.37 -0.30 0.00 0.71 0.00 0.00 52.55 52.73 3kn5 s ASP 424 Cb -0.05 -1.72 -0.07 0.00 1.01 0.00 0.00 42.92 42.10 3kn5 s ASP 424 CO 0.05 0.02 1.07 -0.22 0.21 0.00 0.00 175.17 176.30 3kn5 s LEU 425 N 1.25 4.47 -0.94 1.23 2.96 -1.26 -2.19 118.68 124.21 3kn5 s LEU 425 Ca 0.03 1.98 -0.03 0.00 -0.22 0.00 0.00 54.13 55.90 3kn5 s LEU 425 Cb -0.14 -3.60 0.24 0.00 0.50 0.00 0.00 46.19 43.19 3kn5 s LEU 425 CO -0.02 -0.21 0.91 0.47 -1.32 0.00 0.00 176.35 176.17 3kn5 n ASP 426 N 2.74 4.61 0.11 3.68 8.00 -1.24 -4.93 116.55 129.52 3kn5 n ASP 426 Ca 0.03 -3.17 0.12 0.00 0.71 0.00 0.00 54.79 52.49 3kn5 n ASP 426 Cb 0.47 -1.10 0.46 0.00 -0.02 0.00 0.00 41.12 40.93 3kn5 n ASP 426 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kn5 n LEU 427 N 2.16 0.65 0.11 0.64 4.32 -1.26 -3.11 117.00 120.52 3kn5 n LEU 427 Ca 0.23 0.63 -0.02 0.00 -0.02 0.00 0.00 56.01 56.82 3kn5 n LEU 427 Cb 0.37 -0.50 0.19 0.00 -1.62 0.00 0.00 43.42 41.87 3kn5 n LEU 427 CO 0.42 -0.42 0.57 0.07 -1.22 0.00 0.00 177.39 176.80 3kn5 h LYS 428 N 0.00 0.17 -7.08 3.23 2.10 -2.01 -3.44 116.57 109.52 3kn5 h LYS 428 Ca 0.00 -0.10 -0.45 0.00 -2.00 0.00 0.00 60.65 58.11 3kn5 h LYS 428 Cb 0.47 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 3kn5 h LYS 428 CO 0.00 0.64 0.35 -0.51 -2.00 0.00 0.00 179.45 177.93 3kn5 s ASP 429 N -6.88 6.82 0.38 7.07 1.11 -1.18 -5.02 116.67 118.96 3kn5 s ASP 429 Ca -0.03 1.69 -0.28 0.00 0.18 0.00 0.00 52.55 54.11 3kn5 s ASP 429 Cb 0.13 -2.54 -0.10 0.00 1.07 0.00 0.00 42.92 41.48 3kn5 s ASP 429 CO 0.77 -0.44 1.42 -0.75 1.18 0.00 0.00 175.17 177.35 3kn5 s LYS 430 N -3.34 4.10 0.47 8.23 2.20 -1.26 -4.96 119.74 125.18 3kn5 s LYS 430 Ca 0.62 2.43 -0.23 0.00 -0.36 0.00 0.00 55.97 58.43 3kn5 s LYS 430 Cb -0.10 -2.94 -0.08 0.00 -1.51 0.00 0.00 37.83 33.20 3kn5 s LYS 430 CO 0.17 -0.48 1.19 -2.30 -0.36 0.00 0.00 175.35 173.56 3kn5 n PRO 431 N 0.43 1.61 0.01 4.03 -0.02 -1.26 -4.89 135.00 134.91 3kn5 n PRO 431 Ca 0.01 0.58 0.02 0.00 -2.02 0.00 0.00 63.50 62.09 3kn5 n PRO 431 Cb 0.40 -2.32 0.36 0.00 -0.02 0.00 0.00 33.50 31.92 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 1.60 0.45 -7.51 2.45 3.38 -1.40 -3.48 115.31 110.81 3kn5 h LEU 432 Ca -0.48 -0.06 0.28 0.00 0.09 0.00 0.00 57.88 57.72 3kn5 h LEU 432 Cb 1.32 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.86 3kn5 h LEU 432 CO 0.57 0.45 0.74 -0.83 0.09 0.00 0.00 178.44 179.47 3kn5 s GLY 433 N -3.81 -0.27 -0.21 0.83 0.00 -1.17 -4.98 107.32 97.72 3kn5 s GLY 433 Ca -0.08 0.35 -0.07 0.00 0.00 0.00 0.00 44.72 44.92 3kn5 s GLY 433 CO 0.75 1.22 0.44 1.85 0.00 0.00 0.00 173.10 177.36 3kn5 s GLU 434 N -2.51 0.36 0.00 2.90 2.12 -1.26 -0.84 118.70 119.47 3kn5 s GLU 434 Ca 0.17 1.06 0.00 0.00 0.36 0.00 0.00 54.97 56.56 3kn5 s GLU 434 Cb 0.02 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.76 3kn5 s GLU 434 CO -0.01 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 3kn5 n GLY 435 N 5.29 7.25 3.61 -1.50 0.00 -0.53 -5.00 105.19 114.30 3kn5 n GLY 435 Ca -0.10 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 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 1.00 6.55 -1.61 1.61 0.01 -1.26 -3.24 113.70 116.76 3kn5 s SER 436 Ca 0.00 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.06 3kn5 s SER 436 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 3kn5 s SER 436 CO 0.00 -1.26 0.00 0.49 0.41 0.00 0.00 173.24 172.88 3kn5 n PHE 437 N 8.09 -0.24 -3.85 2.43 3.72 -1.26 -4.92 117.46 121.44 3kn5 n PHE 437 Ca 0.14 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.43 3kn5 n PHE 437 Cb 0.48 -2.96 -0.09 0.00 -0.94 0.00 0.00 39.48 35.97 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 -2.66 0.01 0.04 4.37 1.04 -1.20 -1.33 113.70 113.97 3kn5 s SER 438 Ca 0.00 -0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.14 3kn5 s SER 438 Cb 0.00 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3kn5 s SER 438 CO 0.00 -0.47 0.04 -0.51 0.98 0.00 0.00 173.24 173.28 3kn5 s ILE 439 N -1.98 0.15 -0.08 -1.02 2.07 -0.75 -1.45 121.20 118.15 3kn5 s ILE 439 Ca -0.10 -1.24 0.05 0.00 -1.41 0.00 0.00 60.65 57.95 3kn5 s ILE 439 Cb -0.04 -0.94 -0.00 0.00 0.13 0.00 0.00 42.46 41.61 3kn5 s ILE 439 CO -0.01 -0.68 -0.24 0.00 -1.91 0.00 0.00 174.94 172.10 3kn5 s ARG 441 N 0.14 0.91 0.38 0.00 0.52 0.33 -0.96 118.95 120.27 3kn5 s ARG 441 Ca -0.12 -1.38 -0.24 0.00 -0.52 0.00 0.00 55.73 53.46 3kn5 s ARG 441 Cb -0.16 -0.25 -0.10 0.00 0.52 0.00 0.00 34.95 34.96 3kn5 s ARG 441 CO 0.07 -0.03 1.00 0.21 0.02 0.00 0.00 175.30 176.56 3kn5 s LYS 442 N -3.84 4.29 0.15 3.54 2.20 -1.26 -0.07 119.74 124.74 3kn5 s LYS 442 Ca 0.15 1.39 -0.06 0.00 -0.36 0.00 0.00 55.97 57.08 3kn5 s LYS 442 Cb 0.05 -2.55 -0.02 0.00 -1.51 0.00 0.00 37.83 33.80 3kn5 s LYS 442 CO -0.03 -0.01 0.20 0.00 -0.36 0.00 0.00 175.35 175.16 3kn5 s VAL 444 N -3.98 1.68 -0.01 0.00 1.01 -0.93 -0.90 120.40 117.27 3kn5 s VAL 444 Ca 0.18 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 3kn5 s VAL 444 Cb 0.05 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 3kn5 s VAL 444 CO -0.00 0.48 1.27 -2.28 0.00 0.00 0.00 175.10 174.56 3kn5 s HIS 445 N -0.04 3.14 0.07 5.22 2.46 0.24 -1.41 115.29 124.96 3kn5 s HIS 445 Ca -0.04 1.11 -0.32 0.00 0.47 0.00 0.00 55.06 56.28 3kn5 s HIS 445 Cb -0.12 -3.50 -0.18 0.00 -0.13 0.00 0.00 32.58 28.64 3kn5 s HIS 445 CO 0.03 -1.68 1.60 0.87 -2.47 0.00 0.00 174.74 173.09 3kn5 h LYS 446 N 7.41 -0.79 -0.20 2.88 1.57 -1.22 0.31 116.57 126.53 3kn5 h LYS 446 Ca -0.37 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3kn5 h LYS 446 Cb 1.18 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 3kn5 h LYS 446 CO 0.87 -0.52 0.14 -0.22 -0.57 0.00 0.00 179.45 179.15 3kn5 h LYS 447 N -0.85 0.24 0.00 3.15 1.63 -1.93 -3.17 116.57 115.64 3kn5 h LYS 447 Ca -0.08 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3kn5 h LYS 447 Cb 0.64 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 3kn5 h LYS 447 CO 0.14 0.16 0.00 -1.13 -3.45 0.00 0.00 179.45 175.17 3kn5 n SER 448 N -4.51 0.78 -0.63 4.20 3.41 -1.21 -4.99 113.62 110.67 3kn5 n SER 448 Ca 0.00 -0.92 -0.08 0.00 -0.26 0.00 0.00 58.87 57.61 3kn5 n SER 448 Cb 0.10 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 3kn5 n SER 448 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3kn5 n ASN 449 N -0.13 -5.62 -4.77 4.04 5.15 0.11 -4.96 115.26 109.07 3kn5 n ASN 449 Ca 0.00 0.20 -0.38 0.00 -0.60 0.00 0.00 54.58 53.80 3kn5 n ASN 449 Cb 0.02 -3.93 -0.00 0.00 -0.53 0.00 0.00 39.78 35.34 3kn5 n ASN 449 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3kn5 s GLN 450 N -2.64 3.73 -0.15 1.20 -1.52 -1.23 -4.68 119.66 114.38 3kn5 s GLN 450 Ca 0.00 1.90 -0.07 0.00 -1.95 0.00 0.00 55.36 55.24 3kn5 s GLN 450 Cb 0.00 -2.46 -0.04 0.00 -0.22 0.00 0.00 33.01 30.29 3kn5 s GLN 450 CO 0.00 -0.61 0.10 0.00 -0.25 0.00 0.00 175.29 174.53 3kn5 s ALA 451 N -1.46 3.64 0.31 6.09 0.00 -1.26 0.80 121.76 129.89 3kn5 s ALA 451 Ca 0.63 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.93 3kn5 s ALA 451 Cb -0.32 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 3kn5 s ALA 451 CO 0.39 0.41 0.17 -0.06 0.00 0.00 0.00 175.76 176.67 3kn5 s PHE 452 N -0.37 1.63 0.11 0.00 0.08 -0.07 -4.37 117.98 114.99 3kn5 s PHE 452 Ca 0.10 -1.39 0.05 0.00 0.12 0.00 0.00 56.93 55.81 3kn5 s PHE 452 Cb -0.12 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.42 3kn5 s PHE 452 CO 0.01 -0.54 0.02 0.00 -0.10 0.00 0.00 175.22 174.62 3kn5 s ALA 453 N -3.56 3.35 -0.03 5.36 0.00 -0.73 -1.20 121.76 124.95 3kn5 s ALA 453 Ca 0.35 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.18 3kn5 s ALA 453 Cb 0.05 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.96 3kn5 s ALA 453 CO 0.18 0.66 -0.06 0.54 0.00 0.00 0.00 175.76 177.08 3kn5 s VAL 454 N -1.42 0.60 -0.35 0.00 0.11 0.90 -0.61 120.40 119.64 3kn5 s VAL 454 Ca 0.27 -0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 3kn5 s VAL 454 Cb -0.11 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 3kn5 s VAL 454 CO 0.19 0.21 0.19 -0.75 -3.33 0.00 0.00 175.10 171.62 3kn5 s LYS 455 N 0.52 3.09 -0.22 1.54 2.20 0.01 -0.51 119.74 126.38 3kn5 s LYS 455 Ca -0.07 -0.90 -0.10 0.00 -0.36 0.00 0.00 55.97 54.54 3kn5 s LYS 455 Cb -0.11 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 3kn5 s LYS 455 CO 0.00 -0.56 0.13 0.42 -0.36 0.00 0.00 175.35 174.98 3kn5 s ILE 456 N 1.59 5.23 -0.02 5.43 1.01 -0.23 -1.44 121.20 132.77 3kn5 s ILE 456 Ca 0.03 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.84 3kn5 s ILE 456 Cb -0.18 -3.41 -0.00 0.00 0.01 0.00 0.00 42.46 38.88 3kn5 s ILE 456 CO 0.07 0.40 -0.11 -0.63 0.00 0.00 0.00 174.94 174.67 3kn5 s ILE 457 N 0.71 0.86 0.34 2.92 1.01 -0.19 -1.80 121.20 125.05 3kn5 s ILE 457 Ca 0.07 -0.44 -0.28 0.00 0.00 0.00 0.00 60.65 60.00 3kn5 s ILE 457 Cb -0.12 -0.74 -0.09 0.00 0.01 0.00 0.00 42.46 41.51 3kn5 s ILE 457 CO 0.01 0.25 1.19 -0.55 0.00 0.00 0.00 174.94 175.85 3kn5 s SER 458 N -0.08 6.84 0.59 3.58 0.15 -0.44 -0.41 113.70 123.93 3kn5 s SER 458 Ca 0.01 2.43 0.36 0.00 0.70 0.00 0.00 55.95 59.46 3kn5 s SER 458 Cb -0.06 -2.63 1.98 0.00 -1.71 0.00 0.00 66.02 63.60 3kn5 s SER 458 CO 0.00 -0.46 2.11 0.11 1.20 0.00 0.00 173.24 176.20 3kn5 h LYS 459 N 3.25 0.00 -0.84 5.44 1.79 -1.07 0.55 116.57 125.69 3kn5 h LYS 459 Ca -0.48 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.20 3kn5 h LYS 459 Cb 1.22 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.74 3kn5 h LYS 459 CO 0.65 0.00 0.24 -0.09 -1.08 0.00 0.00 179.45 179.16 3kn5 h ARG 460 N 0.00 0.25 -0.60 3.15 9.65 -1.90 -1.09 114.38 123.83 3kn5 h ARG 460 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3kn5 h ARG 460 Cb 0.15 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 3kn5 h ARG 460 CO 0.00 0.16 0.00 -1.33 2.80 0.00 0.00 179.97 181.60 3kn5 n MET 461 N -5.18 2.44 -0.33 0.20 2.81 0.19 -4.67 117.12 112.57 3kn5 n MET 461 Ca 0.19 -1.44 0.12 0.00 -1.81 0.00 0.00 57.70 54.75 3kn5 n MET 461 Cb 0.61 -1.61 0.33 0.00 -0.71 0.00 0.00 33.22 31.83 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 2.04 0.76 -0.55 0.03 4.57 -1.30 -1.20 114.58 118.94 3kn5 h GLU 462 Ca 0.00 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3kn5 h GLU 462 Cb 0.90 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 3kn5 h GLU 462 CO 0.13 0.51 0.23 0.00 -1.18 0.00 0.00 179.01 178.70 3kn5 h ALA 463 N 1.60 0.71 -0.46 2.92 0.00 -1.84 -1.40 119.26 120.79 3kn5 h ALA 463 Ca 0.52 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.18 3kn5 h ALA 463 Cb 0.77 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3kn5 h ALA 463 CO -0.29 0.31 -0.09 -0.97 0.00 0.00 0.00 179.25 178.21 3kn5 h ASN 464 N 0.74 0.80 1.55 0.00 -1.24 -1.61 -3.08 115.58 112.74 3kn5 h ASN 464 Ca 0.18 -0.24 -0.07 0.00 0.71 0.00 0.00 56.30 56.88 3kn5 h ASN 464 Cb 0.18 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 3kn5 h ASN 464 CO -0.02 0.92 -0.35 0.00 -1.29 0.00 0.00 177.43 176.69 3kn5 h THR 465 N 0.74 0.63 -0.91 -3.57 1.03 -1.09 -1.40 112.91 108.33 3kn5 h THR 465 Ca 0.13 -1.81 -0.01 0.00 -0.01 0.00 0.00 66.41 64.71 3kn5 h THR 465 Cb 0.58 2.25 -0.04 0.00 -1.07 0.00 0.00 68.15 69.87 3kn5 h THR 465 CO 0.04 0.35 0.54 1.56 -0.01 0.00 0.00 175.52 177.99 3kn5 h GLN 466 N 0.00 1.24 0.23 0.00 1.08 -1.21 0.73 115.11 117.18 3kn5 h GLN 466 Ca -0.00 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 3kn5 h GLN 466 Cb 1.22 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 3kn5 h GLN 466 CO 0.05 0.88 -0.11 -0.22 -0.95 0.00 0.00 178.83 178.47 3kn5 h LYS 467 N 1.26 -0.30 -0.86 1.46 3.11 -1.38 -1.85 116.57 118.01 3kn5 h LYS 467 Ca 0.33 0.02 0.08 0.00 -2.81 0.00 0.00 60.65 58.27 3kn5 h LYS 467 Cb -0.04 0.07 -0.07 0.00 -1.00 0.00 0.00 32.23 31.19 3kn5 h LYS 467 CO -0.06 -0.05 0.52 1.49 -2.81 0.00 0.00 179.45 178.54 3kn5 h GLU 468 N -0.51 0.88 -0.33 1.90 4.81 -1.18 0.13 114.58 120.28 3kn5 h GLU 468 Ca -0.03 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3kn5 h GLU 468 Cb 0.38 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3kn5 h GLU 468 CO 0.05 0.58 0.06 0.82 -0.73 0.00 0.00 179.01 179.80 3kn5 h ILE 469 N 0.91 1.23 -0.27 2.32 2.04 -0.79 -1.66 117.51 121.30 3kn5 h ILE 469 Ca 0.39 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3kn5 h ILE 469 Cb 0.27 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3kn5 h ILE 469 CO -0.21 0.27 0.12 0.74 0.00 0.00 0.00 178.15 179.07 3kn5 h THR 470 N 0.38 1.16 -0.39 -0.27 2.02 -1.02 -2.47 112.91 112.32 3kn5 h THR 470 Ca 0.10 -0.46 0.08 0.00 0.77 0.00 0.00 66.41 66.90 3kn5 h THR 470 Cb 0.34 0.97 -0.08 0.00 -1.74 0.00 0.00 68.15 67.64 3kn5 h THR 470 CO 0.00 0.16 -0.17 0.00 0.37 0.00 0.00 175.52 175.88 3kn5 h ALA 471 N 0.97 0.13 0.00 6.16 0.00 -0.60 0.16 119.26 126.08 3kn5 h ALA 471 Ca 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kn5 h ALA 471 Cb 0.14 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kn5 h ALA 471 CO -0.01 -0.54 -0.07 -0.07 0.00 0.00 0.00 179.25 178.56 3kn5 h LEU 472 N -0.10 0.00 0.00 0.00 3.38 -1.17 -2.71 115.31 114.71 3kn5 h LEU 472 Ca 0.19 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.87 3kn5 h LEU 472 Cb 0.39 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3kn5 h LEU 472 CO -0.46 0.07 -1.90 0.29 0.09 0.00 0.00 178.44 176.54 3kn5 n LYS 473 N -3.47 0.65 -0.07 1.13 5.02 0.26 -2.84 118.16 118.84 3kn5 n LYS 473 Ca -0.02 0.18 -0.01 0.00 -2.02 0.00 0.00 58.31 56.45 3kn5 n LYS 473 Cb 0.20 -1.70 0.26 0.00 -0.02 0.00 0.00 35.03 33.77 3kn5 n LYS 473 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kn5 h LEU 474 N 0.00 0.64 -0.83 -0.35 3.38 -0.67 -3.01 115.31 114.46 3kn5 h LEU 474 Ca -0.35 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3kn5 h LEU 474 Cb 2.02 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.60 3kn5 h LEU 474 CO 0.06 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.22 3kn5 n GLU 476 N 0.01 1.94 0.00 0.00 2.13 -1.13 -3.31 120.64 120.29 3kn5 n GLU 476 Ca 0.19 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.70 3kn5 n GLU 476 Cb 0.31 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.77 3kn5 n GLU 476 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kn5 n GLY 477 N 1.36 2.07 3.71 8.31 0.00 -1.26 -5.07 105.19 114.31 3kn5 n GLY 477 Ca 0.08 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.05 2.95 0.65 1.61 5.65 -1.21 -4.89 115.29 119.01 3kn5 s HIS 478 Ca 0.00 0.72 0.39 0.00 0.25 0.00 0.00 55.06 56.41 3kn5 s HIS 478 Cb 0.00 -3.80 2.16 0.00 -1.18 0.00 0.00 32.58 29.76 3kn5 s HIS 478 CO 0.00 -2.96 2.26 -1.00 -0.65 0.00 0.00 174.74 172.39 3kn5 h PRO 479 N 7.32 0.00 -0.35 2.88 0.13 -1.97 -2.61 132.00 137.40 3kn5 h PRO 479 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3kn5 h PRO 479 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3kn5 h PRO 479 CO 0.90 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.76 3kn5 n ASN 480 N -3.21 4.05 -4.20 1.44 4.13 -1.26 -4.90 115.26 111.30 3kn5 n ASN 480 Ca -0.02 -2.80 -0.32 0.00 1.68 0.00 0.00 54.58 53.12 3kn5 n ASN 480 Cb 0.15 -0.52 -0.17 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 -2.45 2.02 0.28 2.41 1.01 -0.98 -1.45 121.20 122.03 3kn5 s ILE 481 Ca 0.42 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.78 3kn5 s ILE 481 Cb 0.32 -1.76 -0.13 0.00 0.01 0.00 0.00 42.46 40.89 3kn5 s ILE 481 CO 0.12 0.55 1.22 0.55 0.00 0.00 0.00 174.94 177.38 3kn5 n VAL 482 N 3.64 1.61 -3.37 2.92 3.14 -0.56 -4.85 118.33 120.87 3kn5 n VAL 482 Ca -0.19 -0.40 -0.38 0.00 -2.96 0.00 0.00 64.34 60.41 3kn5 n VAL 482 Cb 0.53 -1.30 -0.07 0.00 -1.06 0.00 0.00 33.84 31.94 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 -1.25 4.26 -0.32 1.45 2.47 -1.26 -5.00 119.74 120.08 3kn5 s LYS 483 Ca 0.61 0.31 -0.22 0.00 -1.56 0.00 0.00 55.97 55.11 3kn5 s LYS 483 Cb -0.66 -3.48 -0.00 0.00 -1.46 0.00 0.00 37.83 32.23 3kn5 s LYS 483 CO 0.57 0.07 0.70 -1.17 0.16 0.00 0.00 175.35 175.69 3kn5 s LEU 484 N 0.93 4.15 -0.14 5.43 2.96 -1.26 -2.59 118.68 128.16 3kn5 s LEU 484 Ca 0.22 0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 54.38 3kn5 s LEU 484 Cb -0.15 -2.91 -0.15 0.00 0.50 0.00 0.00 46.19 43.48 3kn5 s LEU 484 CO 0.08 -0.58 0.35 0.45 -1.32 0.00 0.00 176.35 175.34 3kn5 h HIS 485 N 8.27 0.00 -3.81 5.38 3.86 -0.88 -3.49 115.15 124.47 3kn5 h HIS 485 Ca -0.26 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.84 3kn5 h HIS 485 Cb 1.11 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.42 3kn5 h HIS 485 CO 0.77 0.72 -0.47 -1.21 0.86 0.00 0.00 177.93 178.60 3kn5 s GLU 486 N -2.07 0.69 -0.04 2.45 2.02 -1.16 -5.01 118.70 115.58 3kn5 s GLU 486 Ca -0.15 -0.86 0.07 0.00 0.02 0.00 0.00 54.97 54.05 3kn5 s GLU 486 Cb 0.00 0.28 -0.02 0.00 0.10 0.00 0.00 34.13 34.49 3kn5 s GLU 486 CO 0.44 -0.19 -0.25 0.08 0.02 0.00 0.00 175.26 175.36 3kn5 s VAL 487 N -3.18 2.12 0.07 2.63 1.01 -1.26 -1.07 120.40 120.71 3kn5 s VAL 487 Ca -0.00 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 60.97 3kn5 s VAL 487 Cb 0.02 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3kn5 s VAL 487 CO -0.07 0.58 -0.14 -0.36 0.00 0.00 0.00 175.10 175.10 3kn5 s PHE 488 N -0.38 1.19 -0.04 5.22 0.08 -0.03 -4.97 117.98 119.05 3kn5 s PHE 488 Ca 0.03 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.66 3kn5 s PHE 488 Cb -0.12 -0.68 0.00 0.00 -0.57 0.00 0.00 43.02 41.66 3kn5 s PHE 488 CO 0.01 0.05 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.07 3kn5 s HIS 489 N -1.21 1.17 0.26 0.36 3.76 -1.26 -0.32 115.29 118.04 3kn5 s HIS 489 Ca -0.02 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 54.59 3kn5 s HIS 489 Cb -0.10 -0.83 -0.01 0.00 1.11 0.00 0.00 32.58 32.75 3kn5 s HIS 489 CO 0.02 -0.15 0.12 -0.40 -0.85 0.00 0.00 174.74 173.49 3kn5 n ASP 490 N 3.40 0.66 0.20 1.40 3.85 -0.33 -4.59 116.55 121.15 3kn5 n ASP 490 Ca -0.19 -2.44 0.04 0.00 -0.71 0.00 0.00 54.79 51.48 3kn5 n ASP 490 Cb 0.53 0.81 0.43 0.00 -1.35 0.00 0.00 41.12 41.54 3kn5 n ASP 490 CO 0.00 0.00 0.00 1.56 -1.01 0.00 0.00 177.20 177.75 3kn5 h GLN 491 N 0.00 0.00 0.05 0.11 4.20 -2.03 -3.21 115.11 114.24 3kn5 h GLN 491 Ca -0.19 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.21 3kn5 h GLN 491 Cb 0.80 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 3kn5 h GLN 491 CO 0.30 0.30 -1.66 1.28 -0.67 0.00 0.00 178.83 178.38 3kn5 n LEU 492 N -4.11 2.22 -4.28 1.46 7.99 -1.26 -4.80 117.00 114.22 3kn5 n LEU 492 Ca -0.02 0.32 -0.17 0.00 -0.01 0.00 0.00 56.01 56.13 3kn5 n LEU 492 Cb 0.35 -1.03 -0.10 0.00 -0.11 0.00 0.00 43.42 42.53 3kn5 n LEU 492 CO 0.37 0.55 -0.43 -1.00 -1.51 0.00 0.00 177.39 175.37 3kn5 s HIS 493 N -2.46 1.48 -0.07 -1.77 3.76 -1.21 -0.45 115.29 114.56 3kn5 s HIS 493 Ca -0.27 -0.63 -0.00 0.00 -0.15 0.00 0.00 55.06 54.01 3kn5 s HIS 493 Cb 0.07 -0.73 -0.03 0.00 1.11 0.00 0.00 32.58 33.00 3kn5 s HIS 493 CO 0.66 0.21 -0.04 0.99 -0.85 0.00 0.00 174.74 175.71 3kn5 s THR 494 N -2.83 3.99 -0.18 1.30 2.01 0.45 -1.18 115.64 119.19 3kn5 s THR 494 Ca 0.17 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.80 3kn5 s THR 494 Cb -0.01 -2.65 0.01 0.00 0.01 0.00 0.00 72.50 69.86 3kn5 s THR 494 CO 0.04 0.60 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.02 3kn5 s PHE 495 N -0.85 2.78 -0.30 4.92 0.08 0.56 -1.03 117.98 124.15 3kn5 s PHE 495 Ca 0.13 -1.50 -0.06 0.00 0.12 0.00 0.00 56.93 55.62 3kn5 s PHE 495 Cb -0.11 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.44 3kn5 s PHE 495 CO 0.02 -0.74 0.06 -0.51 -0.10 0.00 0.00 175.22 173.95 3kn5 s LEU 496 N 1.22 3.87 -0.45 -0.37 1.02 -0.52 -0.85 118.68 122.61 3kn5 s LEU 496 Ca 0.03 -0.86 -0.18 0.00 0.02 0.00 0.00 54.13 53.13 3kn5 s LEU 496 Cb -0.14 -1.84 0.03 0.00 0.02 0.00 0.00 46.19 44.27 3kn5 s LEU 496 CO -0.10 -0.22 0.51 -0.69 0.02 0.00 0.00 176.35 175.88 3kn5 s VAL 497 N 1.44 5.00 0.30 -1.59 1.01 -0.23 -0.81 120.40 125.53 3kn5 s VAL 497 Ca 0.01 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.70 3kn5 s VAL 497 Cb -0.18 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3kn5 s VAL 497 CO 0.01 -0.55 0.39 -0.04 0.00 0.00 0.00 175.10 174.91 3kn5 s MET 498 N 2.33 3.11 0.39 2.72 1.00 0.22 -0.15 119.30 128.93 3kn5 s MET 498 Ca 0.14 -1.00 -0.27 0.00 0.00 0.00 0.00 55.69 54.56 3kn5 s MET 498 Cb -0.18 -2.75 -0.09 0.00 0.00 0.00 0.00 34.83 31.81 3kn5 s MET 498 CO 0.14 0.19 1.32 -1.83 0.00 0.00 0.00 175.02 174.84 3kn5 s GLU 499 N -4.06 4.06 -0.18 2.03 -1.05 -1.07 -1.77 118.70 116.66 3kn5 s GLU 499 Ca 0.40 2.21 -0.29 0.00 -0.15 0.00 0.00 54.97 57.14 3kn5 s GLU 499 Cb -0.09 -2.84 -0.01 0.00 -0.44 0.00 0.00 34.13 30.76 3kn5 s GLU 499 CO 0.29 -0.43 1.16 -1.17 0.95 0.00 0.00 175.26 176.06 3kn5 s LEU 500 N -2.26 4.16 -0.44 1.83 0.20 -1.26 -4.47 118.68 116.43 3kn5 s LEU 500 Ca 0.55 1.57 -0.11 0.00 0.69 0.00 0.00 54.13 56.82 3kn5 s LEU 500 Cb -0.39 -3.54 0.08 0.00 -0.43 0.00 0.00 46.19 41.91 3kn5 s LEU 500 CO 0.51 -0.70 0.32 -0.76 -0.29 0.00 0.00 176.35 175.43 3kn5 s LEU 501 N 3.23 5.38 0.00 -0.68 1.43 -1.26 -4.91 118.68 121.86 3kn5 s LEU 501 Ca 0.50 -1.50 0.20 0.00 -1.03 0.00 0.00 54.13 52.30 3kn5 s LEU 501 Cb -0.19 -2.05 0.54 0.00 0.03 0.00 0.00 46.19 44.52 3kn5 s LEU 501 CO 0.12 -0.59 1.45 0.59 0.23 0.00 0.00 176.35 178.14 3kn5 n ASN 502 N 5.01 3.66 0.13 2.29 5.03 -1.24 -4.46 115.26 125.67 3kn5 n ASN 502 Ca -0.11 -1.99 0.13 0.00 0.87 0.00 0.00 54.58 53.48 3kn5 n ASN 502 Cb 0.43 -0.40 0.41 0.00 -1.02 0.00 0.00 39.78 39.20 3kn5 n ASN 502 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3kn5 h GLY 503 N 3.82 0.00 0.00 7.41 0.00 -0.80 -3.40 103.07 110.10 3kn5 h GLY 503 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kn5 h GLY 503 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3kn5 n GLY 504 N 1.01 0.48 3.78 4.60 0.00 -1.24 -4.63 105.19 109.19 3kn5 n GLY 504 Ca 0.05 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.15 2.55 0.11 1.61 2.02 -1.26 -1.37 118.70 120.22 3kn5 s GLU 505 Ca 0.00 1.20 -0.31 0.00 0.02 0.00 0.00 54.97 55.88 3kn5 s GLU 505 Cb 0.00 -1.93 -0.10 0.00 0.10 0.00 0.00 34.13 32.20 3kn5 s GLU 505 CO 0.00 -1.42 1.59 1.25 0.02 0.00 0.00 175.26 176.70 3kn5 h LEU 506 N -0.68 -1.23 -1.32 1.80 5.85 -1.36 -1.66 115.31 116.72 3kn5 h LEU 506 Ca -0.45 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 3kn5 h LEU 506 Cb 1.23 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.72 3kn5 h LEU 506 CO 0.53 -0.48 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.56 3kn5 h PHE 507 N -0.63 0.00 -0.41 1.25 0.04 -1.87 -1.65 116.94 113.67 3kn5 h PHE 507 Ca 0.03 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3kn5 h PHE 507 Cb 0.67 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 3kn5 h PHE 507 CO -0.38 0.33 0.18 0.93 -0.60 0.00 0.00 178.31 178.77 3kn5 h GLU 508 N 0.00 0.61 -0.44 1.51 4.39 -1.87 -0.68 114.58 118.10 3kn5 h GLU 508 Ca -0.00 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.62 3kn5 h GLU 508 Cb 0.63 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 3kn5 h GLU 508 CO 0.04 0.56 0.25 0.00 -1.16 0.00 0.00 179.01 178.70 3kn5 h ARG 509 N 0.52 0.48 -0.30 2.33 2.47 -0.87 -2.77 114.38 116.24 3kn5 h ARG 509 Ca 0.14 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.76 3kn5 h ARG 509 Cb 0.17 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 3kn5 h ARG 509 CO -0.01 0.32 -0.12 0.82 0.56 0.00 0.00 179.97 181.54 3kn5 h ILE 510 N 0.49 1.23 -0.23 2.04 2.04 -1.13 -1.39 117.51 120.57 3kn5 h ILE 510 Ca 0.18 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 65.07 3kn5 h ILE 510 Cb 0.04 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3kn5 h ILE 510 CO -0.10 0.33 0.16 0.50 0.00 0.00 0.00 178.15 179.04 3kn5 h LYS 511 N 0.47 0.18 0.00 2.37 3.64 -0.90 -2.93 116.57 119.39 3kn5 h LYS 511 Ca 0.09 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.32 3kn5 h LYS 511 Cb 0.48 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3kn5 h LYS 511 CO 0.03 0.12 -0.65 0.87 -2.27 0.00 0.00 179.45 177.54 3kn5 h LYS 512 N 0.18 0.00 -6.25 1.90 1.57 -0.98 -3.45 116.57 109.54 3kn5 h LYS 512 Ca 0.10 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.33 3kn5 h LYS 512 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3kn5 h LYS 512 CO -0.02 0.65 0.09 -1.59 -0.57 0.00 0.00 179.45 178.02 3kn5 s LYS 513 N -2.95 4.42 0.22 3.15 -2.85 -1.11 -4.96 119.74 115.67 3kn5 s LYS 513 Ca 0.03 0.94 -0.02 0.00 -1.00 0.00 0.00 55.97 55.92 3kn5 s LYS 513 Cb 0.09 -3.34 0.21 0.00 -2.06 0.00 0.00 37.83 32.74 3kn5 s LYS 513 CO 0.76 0.37 1.59 -0.22 0.10 0.00 0.00 175.35 177.96 3kn5 h LYS 514 N 5.42 0.57 -5.15 1.78 3.64 -1.87 -3.43 116.57 117.53 3kn5 h LYS 514 Ca -0.45 -0.29 -0.67 0.00 -1.27 0.00 0.00 60.65 57.97 3kn5 h LYS 514 Cb 1.20 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.69 3kn5 h LYS 514 CO 0.69 0.87 -0.85 -1.58 -2.27 0.00 0.00 179.45 176.31 3kn5 s HIS 515 N -4.26 2.73 -0.05 1.91 2.46 -1.26 -4.95 115.29 111.86 3kn5 s HIS 515 Ca -0.08 -1.40 0.00 0.00 0.47 0.00 0.00 55.06 54.06 3kn5 s HIS 515 Cb 0.12 -1.87 0.02 0.00 -0.13 0.00 0.00 32.58 30.73 3kn5 s HIS 515 CO 0.82 -0.66 -0.02 0.12 -2.47 0.00 0.00 174.74 172.53 3kn5 s PHE 516 N 0.99 0.66 0.38 3.88 5.36 -1.26 -5.03 117.98 122.96 3kn5 s PHE 516 Ca -0.02 -0.17 0.04 0.00 -0.96 0.00 0.00 56.93 55.82 3kn5 s PHE 516 Cb -0.15 -0.69 -0.06 0.00 -0.34 0.00 0.00 43.02 41.79 3kn5 s PHE 516 CO -0.05 -0.24 0.05 -1.54 -1.46 0.00 0.00 175.22 171.98 3kn5 s SER 517 N 1.35 2.97 0.54 6.13 1.04 -1.26 0.82 113.70 125.29 3kn5 s SER 517 Ca -0.05 -1.44 0.21 0.00 0.48 0.00 0.00 55.95 55.15 3kn5 s SER 517 Cb -0.13 -0.02 1.42 0.00 0.10 0.00 0.00 66.02 67.38 3kn5 s SER 517 CO -0.02 -0.64 2.14 -0.33 0.98 0.00 0.00 173.24 175.37 3kn5 h GLU 518 N 1.91 0.00 -0.01 4.02 5.08 -1.78 -0.01 114.58 123.80 3kn5 h GLU 518 Ca -0.41 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.78 3kn5 h GLU 518 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3kn5 h GLU 518 CO 0.71 0.00 -0.78 1.79 -1.00 0.00 0.00 179.01 179.73 3kn5 h THR 519 N 0.00 1.52 -0.01 1.13 1.35 -1.87 -0.47 112.91 114.56 3kn5 h THR 519 Ca 0.05 -2.55 -0.16 0.00 -0.55 0.00 0.00 66.41 63.20 3kn5 h THR 519 Cb 0.21 2.38 0.01 0.00 -1.73 0.00 0.00 68.15 69.03 3kn5 h THR 519 CO -0.00 0.73 -0.63 -0.33 -0.25 0.00 0.00 175.52 175.04 3kn5 h GLU 520 N 0.05 0.44 -0.38 4.72 5.08 -1.65 -2.97 114.58 119.88 3kn5 h GLU 520 Ca -0.02 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3kn5 h GLU 520 Cb 1.37 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 3kn5 h GLU 520 CO 0.11 1.12 0.24 0.00 -1.00 0.00 0.00 179.01 179.48 3kn5 h ALA 521 N 0.33 1.72 -0.14 3.43 0.00 -0.92 -2.24 119.26 121.45 3kn5 h ALA 521 Ca -0.08 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 3kn5 h ALA 521 Cb 1.34 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.98 3kn5 h ALA 521 CO 0.13 0.26 -0.77 1.03 0.00 0.00 0.00 179.25 179.89 3kn5 h SER 522 N 0.51 0.85 -0.57 0.00 0.87 -1.14 -0.54 113.55 113.54 3kn5 h SER 522 Ca 0.14 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 3kn5 h SER 522 Cb -0.05 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.63 3kn5 h SER 522 CO -0.03 1.35 0.36 0.22 -0.53 0.00 0.00 176.83 178.20 3kn5 h TYR 523 N 0.49 0.73 -0.00 2.24 3.20 -1.29 -1.34 116.97 121.00 3kn5 h TYR 523 Ca -0.05 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 3kn5 h TYR 523 Cb 1.39 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 3kn5 h TYR 523 CO 0.08 0.48 -0.00 0.82 -1.64 0.00 0.00 178.16 177.90 3kn5 h ILE 524 N 0.77 1.29 -0.50 1.81 2.04 -1.41 -3.07 117.51 118.44 3kn5 h ILE 524 Ca 0.21 -0.86 0.13 0.00 1.00 0.00 0.00 64.86 65.34 3kn5 h ILE 524 Cb -0.05 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3kn5 h ILE 524 CO -0.04 0.22 0.35 -0.03 0.00 0.00 0.00 178.15 178.65 3kn5 h MET 525 N -0.36 0.08 -0.05 2.37 4.05 -0.99 -1.95 114.93 118.07 3kn5 h MET 525 Ca 0.00 -0.01 -0.20 0.00 -0.28 0.00 0.00 59.70 59.22 3kn5 h MET 525 Cb 0.37 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 3kn5 h MET 525 CO 0.00 0.06 -0.80 -0.09 0.23 0.00 0.00 176.91 176.30 3kn5 h ARG 526 N 0.09 0.42 -0.66 0.39 2.43 -1.20 -0.57 114.38 115.28 3kn5 h ARG 526 Ca 0.24 -0.38 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 3kn5 h ARG 526 Cb 0.82 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 3kn5 h ARG 526 CO -0.02 1.03 0.09 0.87 -1.51 0.00 0.00 179.97 180.42 3kn5 h LYS 527 N 0.27 1.10 0.21 0.20 1.57 -1.28 -1.78 116.57 116.86 3kn5 h LYS 527 Ca -0.05 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 3kn5 h LYS 527 Cb 1.40 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3kn5 h LYS 527 CO 0.14 1.02 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.87 3kn5 h LEU 528 N 1.02 -0.24 -0.77 2.94 3.38 -1.26 0.57 115.31 120.96 3kn5 h LEU 528 Ca 0.20 -0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3kn5 h LEU 528 Cb 0.46 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.18 3kn5 h LEU 528 CO 0.02 0.09 0.34 0.58 0.09 0.00 0.00 178.44 179.55 3kn5 h VAL 529 N -0.58 0.70 0.05 1.22 2.07 -1.13 0.87 116.25 119.46 3kn5 h VAL 529 Ca -0.03 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3kn5 h VAL 529 Cb 0.43 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3kn5 h VAL 529 CO 0.05 0.09 -0.02 -1.28 0.02 0.00 0.00 177.57 176.43 3kn5 h SER 530 N 0.51 -0.06 -0.43 0.57 0.87 -1.18 0.63 113.55 114.46 3kn5 h SER 530 Ca 0.41 -0.05 0.09 0.00 -1.23 0.00 0.00 61.79 61.01 3kn5 h SER 530 Cb 0.59 0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 62.48 3kn5 h SER 530 CO -0.37 0.02 -0.15 0.00 -0.53 0.00 0.00 176.83 175.79 3kn5 h ALA 531 N 0.82 0.21 -0.36 6.23 0.00 0.24 -0.04 119.26 126.35 3kn5 h ALA 531 Ca -0.01 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3kn5 h ALA 531 Cb 0.11 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kn5 h ALA 531 CO 0.01 -0.50 -0.12 0.28 0.00 0.00 0.00 179.25 178.93 3kn5 h VAL 532 N -0.06 1.28 -0.48 0.00 2.07 -0.73 -1.43 116.25 116.90 3kn5 h VAL 532 Ca 0.21 -1.20 0.08 0.00 0.82 0.00 0.00 66.70 66.61 3kn5 h VAL 532 Cb 0.38 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 3kn5 h VAL 532 CO -0.47 0.40 0.08 -1.28 0.02 0.00 0.00 177.57 176.31 3kn5 h SER 533 N 0.50 -0.03 -0.21 0.57 0.87 -0.50 -0.85 113.55 113.89 3kn5 h SER 533 Ca 0.09 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3kn5 h SER 533 Cb 0.64 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 3kn5 h SER 533 CO 0.04 0.01 0.11 -0.74 -0.53 0.00 0.00 176.83 175.72 3kn5 h HIS 534 N 0.21 0.21 -0.42 2.24 6.17 -0.75 -0.53 115.15 122.28 3kn5 h HIS 534 Ca 0.24 0.01 0.09 0.00 0.71 0.00 0.00 60.37 61.41 3kn5 h HIS 534 Cb 0.32 -0.06 -0.08 0.00 2.52 0.00 0.00 27.41 30.11 3kn5 h HIS 534 CO -0.24 0.12 -0.12 0.52 0.71 0.00 0.00 177.93 178.92 3kn5 h MET 535 N 0.24 -0.03 -0.19 5.26 2.86 -0.78 -1.75 114.93 120.53 3kn5 h MET 535 Ca 0.09 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.63 3kn5 h MET 535 Cb 0.01 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3kn5 h MET 535 CO -0.05 -0.02 -0.31 0.45 1.06 0.00 0.00 176.91 178.04 3kn5 h HIS 536 N -0.03 0.43 -0.16 -0.22 3.86 -0.91 0.28 115.15 118.40 3kn5 h HIS 536 Ca 0.20 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 3kn5 h HIS 536 Cb 0.34 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3kn5 h HIS 536 CO -0.39 0.65 -0.03 0.22 0.86 0.00 0.00 177.93 179.25 3kn5 h ASP 537 N 0.33 0.22 -0.54 2.45 3.58 -0.27 -2.66 116.42 119.52 3kn5 h ASP 537 Ca 0.04 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3kn5 h ASP 537 Cb 0.72 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.71 3kn5 h ASP 537 CO 0.05 0.29 0.00 1.33 -2.88 0.00 0.00 179.24 178.04 3kn5 n VAL 538 N -4.37 0.79 -0.93 2.25 0.24 -0.78 -4.97 118.33 110.57 3kn5 n VAL 538 Ca -0.01 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 3kn5 n VAL 538 Cb 0.19 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 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 1.43 1.22 3.07 7.63 0.00 -0.77 -4.94 105.19 112.84 3kn5 n GLY 539 Ca 0.21 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.07 1.50 -0.07 1.61 1.01 0.02 -1.27 120.40 121.12 3kn5 s VAL 540 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3kn5 s VAL 540 Cb 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3kn5 s VAL 540 CO 0.00 0.44 0.01 0.68 0.00 0.00 0.00 175.10 176.23 3kn5 s VAL 541 N 0.80 4.37 -0.17 2.92 -7.23 -0.84 -3.15 120.40 117.10 3kn5 s VAL 541 Ca -0.11 -0.28 -0.20 0.00 -1.81 0.00 0.00 61.98 59.59 3kn5 s VAL 541 Cb -0.16 -2.86 -0.17 0.00 0.56 0.00 0.00 36.38 33.75 3kn5 s VAL 541 CO 0.01 0.56 0.29 -0.74 -0.31 0.00 0.00 175.10 174.91 3kn5 h HIS 542 N 4.98 0.00 -0.03 2.82 2.76 -1.90 -1.37 115.15 122.41 3kn5 h HIS 542 Ca -0.51 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.65 3kn5 h HIS 542 Cb 1.19 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 3kn5 h HIS 542 CO 0.64 0.98 -0.01 0.54 -1.30 0.00 0.00 177.93 178.78 3kn5 n ARG 543 N -4.54 -0.66 -2.73 5.26 1.74 -1.26 -3.28 116.66 111.18 3kn5 n ARG 543 Ca -0.19 0.22 -0.02 0.00 -0.77 0.00 0.00 57.85 57.10 3kn5 n ARG 543 Cb 0.50 -3.76 0.10 0.00 -1.02 0.00 0.00 32.46 28.27 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 -0.23 -0.29 -3.93 0.55 2.03 -1.26 -5.01 116.55 108.41 3kn5 n ASP 544 Ca -0.01 -2.17 -0.42 0.00 0.52 0.00 0.00 54.79 52.72 3kn5 n ASP 544 Cb 0.18 0.24 -0.01 0.00 -0.72 0.00 0.00 41.12 40.80 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 -1.13 5.72 -4.95 -2.67 4.77 -1.26 -4.81 117.00 112.67 3kn5 n LEU 545 Ca -0.08 -3.80 -0.23 0.00 -0.03 0.00 0.00 56.01 51.87 3kn5 n LEU 545 Cb 0.85 -1.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.34 3kn5 n LEU 545 CO -0.06 0.46 0.08 -0.54 -1.33 0.00 0.00 177.39 175.99 3kn5 s LYS 546 N 3.95 3.47 0.37 3.23 1.02 -1.26 -4.77 119.74 125.75 3kn5 s LYS 546 Ca 0.52 -0.49 0.07 0.00 0.02 0.00 0.00 55.97 56.09 3kn5 s LYS 546 Cb 0.11 -2.77 0.79 0.00 -0.52 0.00 0.00 37.83 35.44 3kn5 s LYS 546 CO -0.00 0.28 1.95 -1.35 -0.92 0.00 0.00 175.35 175.31 3kn5 h PRO 547 N 1.06 0.68 0.00 -1.68 0.11 -1.96 -0.14 132.00 130.07 3kn5 h PRO 547 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3kn5 h PRO 547 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kn5 h PRO 547 CO 0.62 0.45 0.00 1.05 -0.21 0.00 0.00 178.00 179.91 3kn5 h GLU 548 N 0.70 0.00 -0.67 1.05 4.11 -1.96 -1.55 114.58 116.27 3kn5 h GLU 548 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.76 3kn5 h GLU 548 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3kn5 h GLU 548 CO -0.11 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.06 3kn5 n ASN 549 N -2.65 4.21 -4.01 3.06 5.03 -0.07 -4.79 115.26 116.04 3kn5 n ASN 549 Ca -0.00 -2.56 -0.31 0.00 0.87 0.00 0.00 54.58 52.58 3kn5 n ASN 549 Cb 0.17 -0.59 -0.16 0.00 -1.02 0.00 0.00 39.78 38.19 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 -1.84 2.73 0.01 3.41 1.43 -0.58 -2.11 118.68 121.73 3kn5 s LEU 550 Ca 0.39 -1.12 0.07 0.00 -1.03 0.00 0.00 54.13 52.45 3kn5 s LEU 550 Cb 0.29 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 3kn5 s LEU 550 CO 0.14 -0.18 -0.22 -0.76 0.23 0.00 0.00 176.35 175.56 3kn5 s LEU 551 N 1.29 2.10 0.29 1.79 1.02 -0.21 -1.24 118.68 123.73 3kn5 s LEU 551 Ca -0.05 -0.46 -0.14 0.00 0.02 0.00 0.00 54.13 53.50 3kn5 s LEU 551 Cb -0.18 -1.09 -0.09 0.00 0.02 0.00 0.00 46.19 44.85 3kn5 s LEU 551 CO -0.07 0.23 0.69 -0.36 0.02 0.00 0.00 176.35 176.87 3kn5 s PHE 552 N -0.64 3.41 -0.42 0.29 0.08 -0.47 0.00 117.98 120.23 3kn5 s PHE 552 Ca 0.08 1.16 -0.19 0.00 0.12 0.00 0.00 56.93 58.11 3kn5 s PHE 552 Cb -0.09 -2.49 0.02 0.00 -0.57 0.00 0.00 43.02 39.90 3kn5 s PHE 552 CO 0.00 0.16 0.51 0.95 -0.10 0.00 0.00 175.22 176.75 3kn5 s THR 553 N -1.90 4.99 0.00 0.64 -4.23 -0.70 -0.12 115.64 114.32 3kn5 s THR 553 Ca 0.51 -0.12 -0.03 0.00 -1.18 0.00 0.00 61.69 60.88 3kn5 s THR 553 Cb -0.11 -4.09 -0.04 0.00 1.34 0.00 0.00 72.50 69.61 3kn5 s THR 553 CO 0.18 -0.46 0.48 -0.90 -0.54 0.00 0.00 174.62 173.38 3kn5 n ASP 554 N 5.84 -0.43 -3.43 3.99 5.68 -1.26 -4.29 116.55 122.65 3kn5 n ASP 554 Ca -0.05 -0.78 -0.27 0.00 -0.50 0.00 0.00 54.79 53.19 3kn5 n ASP 554 Cb 0.48 -0.08 -0.10 0.00 -1.14 0.00 0.00 41.12 40.28 3kn5 n ASP 554 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kn5 n LEU 559 N 3.80 -0.22 -4.74 -2.12 7.99 -1.26 -4.90 117.00 115.56 3kn5 n LEU 559 Ca 0.05 -4.44 -0.41 0.00 -0.01 0.00 0.00 56.01 51.20 3kn5 n LEU 559 Cb 0.17 0.45 -0.05 0.00 -0.11 0.00 0.00 43.42 43.88 3kn5 n LEU 559 CO 0.28 1.85 0.66 -1.61 -1.51 0.00 0.00 177.39 177.06 3kn5 s GLU 560 N -0.07 4.75 0.28 3.23 0.41 -1.26 -5.06 118.70 120.98 3kn5 s GLU 560 Ca 0.32 1.46 -0.10 0.00 -0.41 0.00 0.00 54.97 56.25 3kn5 s GLU 560 Cb 0.03 -3.35 -0.07 0.00 -1.78 0.00 0.00 34.13 28.97 3kn5 s GLU 560 CO -0.20 0.31 0.61 -1.50 -0.49 0.00 0.00 175.26 173.99 3kn5 s ILE 561 N -0.37 4.87 -0.02 -1.63 2.07 -1.26 -1.72 121.20 123.15 3kn5 s ILE 561 Ca 0.45 0.53 -0.06 0.00 -1.41 0.00 0.00 60.65 60.17 3kn5 s ILE 561 Cb -0.24 -3.64 0.00 0.00 0.13 0.00 0.00 42.46 38.71 3kn5 s ILE 561 CO 0.31 -0.18 0.13 -0.54 -1.91 0.00 0.00 174.94 172.74 3kn5 s LYS 562 N -3.06 0.36 -0.13 3.50 1.02 0.10 -4.50 119.74 117.03 3kn5 s LYS 562 Ca 0.49 -0.20 -0.12 0.00 0.02 0.00 0.00 55.97 56.16 3kn5 s LYS 562 Cb -0.11 0.15 -0.05 0.00 -0.52 0.00 0.00 37.83 37.31 3kn5 s LYS 562 CO 0.23 -0.08 0.28 0.42 -0.92 0.00 0.00 175.35 175.28 3kn5 s ILE 563 N -0.86 5.30 0.45 2.17 1.01 -0.53 -1.04 121.20 127.70 3kn5 s ILE 563 Ca -0.09 0.52 0.04 0.00 0.00 0.00 0.00 60.65 61.11 3kn5 s ILE 563 Cb -0.05 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 3kn5 s ILE 563 CO 0.01 0.47 0.01 0.27 0.00 0.00 0.00 174.94 175.70 3kn5 s ILE 564 N -0.11 1.55 -0.25 2.92 -4.36 -0.90 -1.49 121.20 118.57 3kn5 s ILE 564 Ca 0.17 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.52 3kn5 s ILE 564 Cb -0.13 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 40.96 3kn5 s ILE 564 CO 0.05 0.00 0.15 -0.67 0.24 0.00 0.00 174.94 174.71 3kn5 n ASP 565 N -1.09 -6.26 -1.73 4.36 2.03 -1.26 -4.93 116.55 107.67 3kn5 n ASP 565 Ca -0.11 0.80 0.01 0.00 0.52 0.00 0.00 54.79 56.01 3kn5 n ASP 565 Cb 0.67 -4.09 0.30 0.00 -0.72 0.00 0.00 41.12 37.27 3kn5 n ASP 565 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3kn5 n PHE 566 N 0.20 1.90 -0.35 -0.67 3.01 -1.26 -4.49 117.46 115.80 3kn5 n PHE 566 Ca 0.03 -0.81 0.12 0.00 1.01 0.00 0.00 57.45 57.81 3kn5 n PHE 566 Cb 0.11 -0.52 0.32 0.00 -0.01 0.00 0.00 39.48 39.38 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 3.66 1.76 -2.23 1.37 0.00 -1.92 -2.18 103.07 103.54 3kn5 h GLY 567 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3kn5 h GLY 567 CO 0.51 -0.04 0.00 0.69 0.00 0.00 0.00 176.54 177.70 3kn5 n PHE 568 N -4.75 0.56 -1.18 5.60 3.72 -1.26 -4.87 117.46 115.29 3kn5 n PHE 568 Ca 0.23 -0.28 -0.35 0.00 -0.05 0.00 0.00 57.45 57.00 3kn5 n PHE 568 Cb 0.55 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.19 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 1.40 -0.83 -2.59 4.37 0.00 -0.82 -4.72 120.51 117.33 3kn5 n ALA 569 Ca 0.20 -0.30 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 3kn5 n ALA 569 Cb 0.58 -2.04 -0.13 0.00 0.00 0.00 0.00 19.45 17.85 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 -3.47 1.07 0.07 0.00 1.81 -0.51 -4.91 118.95 113.01 3kn5 s ARG 570 Ca 0.69 -0.96 0.02 0.00 -1.72 0.00 0.00 55.73 53.77 3kn5 s ARG 570 Cb -0.31 -1.18 -0.04 0.00 -0.45 0.00 0.00 34.95 32.97 3kn5 s ARG 570 CO 0.55 0.29 0.10 -0.51 -0.68 0.00 0.00 175.30 175.04 3kn5 s LEU 571 N -1.48 3.89 -0.18 2.53 1.43 -1.26 -1.99 118.68 121.62 3kn5 s LEU 571 Ca 0.04 0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.89 3kn5 s LEU 571 Cb -0.09 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3kn5 s LEU 571 CO 0.02 0.19 1.04 -0.75 0.23 0.00 0.00 176.35 177.08 3kn5 s LYS 572 N -2.32 4.31 0.10 1.70 2.20 -0.40 -4.31 119.74 121.02 3kn5 s LYS 572 Ca 0.29 1.39 -0.31 0.00 -0.36 0.00 0.00 55.97 56.98 3kn5 s LYS 572 Cb -0.12 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.49 3kn5 s LYS 572 CO 0.22 -0.53 1.70 -2.14 -0.36 0.00 0.00 175.35 174.24 3kn5 s PRO 573 N 2.81 4.18 0.00 4.03 0.02 -1.26 -5.03 135.00 139.75 3kn5 s PRO 573 Ca 0.46 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.90 3kn5 s PRO 573 Cb -0.17 -3.53 0.00 0.00 0.02 0.00 0.00 34.50 30.83 3kn5 s PRO 573 CO 0.11 -0.75 0.04 -0.35 -0.33 0.00 0.00 177.00 175.71 3kn5 n PRO 574 N 5.37 0.00 -3.87 5.54 -0.04 -1.26 -5.23 135.00 135.51 3kn5 n PRO 574 Ca 0.16 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.39 3kn5 n PRO 574 Cb 0.39 -1.08 -0.17 0.00 -0.04 0.00 0.00 33.50 32.60 3kn5 n PRO 574 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3kn5 s ASN 597 N -1.01 1.60 -0.12 3.54 3.84 -1.26 -5.34 114.94 116.20 3kn5 s ASN 597 Ca 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 52.86 52.93 3kn5 s ASN 597 Cb 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 41.25 40.18 3kn5 s ASN 597 CO 0.00 -0.15 0.00 0.61 -2.79 0.00 0.00 177.10 174.77 3kn5 n GLY 598 N 4.92 0.50 3.55 1.21 0.00 -1.26 -4.95 105.19 109.16 3kn5 n GLY 598 Ca -0.11 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.01 1.49 -0.30 1.61 5.04 -1.26 -4.89 117.35 117.02 3kn5 s TYR 599 Ca 0.00 1.12 0.00 0.00 -2.44 0.00 0.00 57.07 55.75 3kn5 s TYR 599 Cb 0.00 -3.85 0.09 0.00 0.35 0.00 0.00 41.96 38.55 3kn5 s TYR 599 CO 0.00 -2.06 0.07 0.34 -1.34 0.00 0.00 175.55 172.57 3kn5 s ASP 600 N 9.43 4.10 0.56 4.32 -1.08 -1.26 -4.98 116.67 127.76 3kn5 s ASP 600 Ca 0.79 -1.66 0.33 0.00 -0.52 0.00 0.00 52.55 51.49 3kn5 s ASP 600 Cb -0.12 -1.02 1.58 0.00 -1.46 0.00 0.00 42.92 41.90 3kn5 s ASP 600 CO 0.13 -0.39 2.08 -0.33 0.52 0.00 0.00 175.17 177.18 3kn5 h GLU 601 N 7.99 0.00 0.00 4.34 5.08 -1.99 -2.43 114.58 127.58 3kn5 h GLU 601 Ca -0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3kn5 h GLU 601 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3kn5 h GLU 601 CO 0.47 0.06 -0.18 0.66 -1.00 0.00 0.00 179.01 179.01 3kn5 h SER 602 N 0.00 0.00 0.02 1.42 4.64 -1.99 -3.16 113.55 114.47 3kn5 h SER 602 Ca -0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3kn5 h SER 602 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3kn5 h SER 602 CO 0.01 0.18 -0.12 0.00 -0.87 0.00 0.00 176.83 176.04 3kn5 h ASP 604 N -0.21 1.02 -0.68 0.00 3.32 -1.72 -2.25 116.42 115.90 3kn5 h ASP 604 Ca 0.04 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3kn5 h ASP 604 Cb 0.25 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3kn5 h ASP 604 CO -0.10 0.84 0.37 -0.07 -1.72 0.00 0.00 179.24 178.55 3kn5 h LEU 605 N 1.14 0.86 -0.54 1.55 3.38 -1.48 -1.87 115.31 118.35 3kn5 h LEU 605 Ca 0.28 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3kn5 h LEU 605 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3kn5 h LEU 605 CO -0.04 0.71 0.17 -0.25 0.09 0.00 0.00 178.44 179.12 3kn5 h TRP 606 N 0.93 0.87 -0.95 1.13 7.01 -0.83 -2.92 115.95 121.19 3kn5 h TRP 606 Ca 0.24 -0.09 0.01 0.00 2.11 0.00 0.00 58.89 61.17 3kn5 h TRP 606 Cb 0.05 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 26.81 3kn5 h TRP 606 CO -0.00 0.74 0.63 0.77 -2.79 0.00 0.00 178.44 177.78 3kn5 h SER 607 N 0.75 1.08 -0.69 2.65 0.02 -1.11 -0.94 113.55 115.31 3kn5 h SER 607 Ca 0.17 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 3kn5 h SER 607 Cb 0.27 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 3kn5 h SER 607 CO -0.01 0.78 0.46 -0.07 -1.14 0.00 0.00 176.83 176.85 3kn5 h LEU 608 N 1.28 0.68 0.04 5.07 3.38 -1.20 0.11 115.31 124.66 3kn5 h LEU 608 Ca 0.35 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 3kn5 h LEU 608 Cb -0.12 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3kn5 h LEU 608 CO -0.08 0.46 -0.02 1.23 0.09 0.00 0.00 178.44 180.11 3kn5 h GLY 609 N 0.78 -0.06 0.73 0.83 0.00 -1.02 -0.64 103.07 103.70 3kn5 h GLY 609 Ca 0.29 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.68 3kn5 h GLY 609 CO -0.09 -0.02 0.30 -2.08 0.00 0.00 0.00 176.54 174.65 3kn5 h VAL 610 N -0.21 0.97 -0.71 4.60 2.07 -0.62 -0.12 116.25 122.23 3kn5 h VAL 610 Ca -0.01 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3kn5 h VAL 610 Cb 0.19 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3kn5 h VAL 610 CO 0.01 0.10 0.45 0.40 0.02 0.00 0.00 177.57 178.55 3kn5 h ILE 611 N 0.57 1.20 -0.24 4.57 2.04 -0.65 -2.30 117.51 122.69 3kn5 h ILE 611 Ca 0.24 -0.41 -0.19 0.00 1.00 0.00 0.00 64.86 65.51 3kn5 h ILE 611 Cb 0.13 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3kn5 h ILE 611 CO -0.16 0.20 -0.59 0.25 0.00 0.00 0.00 178.15 177.85 3kn5 h LEU 612 N 0.97 0.90 -0.31 1.44 5.85 -0.65 -0.87 115.31 122.64 3kn5 h LEU 612 Ca 0.26 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.53 3kn5 h LEU 612 Cb -0.06 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.66 3kn5 h LEU 612 CO -0.05 1.29 0.02 0.22 -0.34 0.00 0.00 178.44 179.58 3kn5 h TYR 613 N 0.60 0.02 -0.26 1.25 5.03 -0.84 -2.00 116.97 120.78 3kn5 h TYR 613 Ca 0.00 0.02 -0.18 0.00 2.58 0.00 0.00 58.73 61.15 3kn5 h TYR 613 Cb 1.19 0.04 -0.00 0.00 1.55 0.00 0.00 36.73 39.51 3kn5 h TYR 613 CO 0.07 -0.03 -0.56 1.15 -1.32 0.00 0.00 178.16 177.47 3kn5 h THR 614 N 0.11 1.28 -0.78 1.81 2.02 -1.36 -2.58 112.91 113.41 3kn5 h THR 614 Ca 0.15 -1.76 0.14 0.00 0.77 0.00 0.00 66.41 65.71 3kn5 h THR 614 Cb 0.18 1.68 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 3kn5 h THR 614 CO -0.23 0.57 0.52 0.24 0.37 0.00 0.00 175.52 176.99 3kn5 h MET 615 N 0.61 0.48 0.00 6.66 2.86 -0.86 0.65 114.93 125.33 3kn5 h MET 615 Ca 0.01 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3kn5 h MET 615 Cb 1.16 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 3kn5 h MET 615 CO 0.12 0.32 -1.15 1.28 1.06 0.00 0.00 176.91 178.54 3kn5 n LEU 616 N -4.50 0.73 -0.00 1.22 4.77 -0.78 -4.55 117.00 113.90 3kn5 n LEU 616 Ca 0.15 0.28 -0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3kn5 n LEU 616 Cb 0.50 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3kn5 n LEU 616 CO 0.32 -0.16 -0.51 -1.54 -1.33 0.00 0.00 177.39 174.18 3kn5 n SER 617 N -2.62 4.95 -0.01 -1.43 3.41 -0.98 -4.50 113.62 112.43 3kn5 n SER 617 Ca -0.01 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3kn5 n SER 617 Cb 0.56 0.58 -0.00 0.00 -0.26 0.00 0.00 64.21 65.09 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 2.91 0.44 3.41 5.00 0.00 0.22 -4.07 105.19 113.10 3kn5 n GLY 618 Ca -0.00 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.12 1.50 -0.15 1.61 -0.21 -1.25 -4.56 119.66 115.47 3kn5 s GLN 619 Ca 0.00 -1.64 -0.16 0.00 0.02 0.00 0.00 55.36 53.58 3kn5 s GLN 619 Cb 0.00 -1.52 -0.04 0.00 1.00 0.00 0.00 33.01 32.44 3kn5 s GLN 619 CO 0.00 0.29 0.39 0.08 -2.12 0.00 0.00 175.29 173.93 3kn5 s VAL 620 N -2.49 5.23 0.41 1.09 1.01 -1.26 -3.69 120.40 120.70 3kn5 s VAL 620 Ca 0.25 0.75 -0.24 0.00 0.00 0.00 0.00 61.98 62.73 3kn5 s VAL 620 Cb -0.04 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 3kn5 s VAL 620 CO 0.11 0.33 0.88 -2.65 0.00 0.00 0.00 175.10 173.77 3kn5 n PRO 621 N 3.85 1.10 -1.29 2.72 -0.02 -1.26 -2.04 135.00 138.06 3kn5 n PRO 621 Ca -0.09 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.69 3kn5 n PRO 621 Cb 0.52 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 32.09 3kn5 n PRO 621 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kn5 n PHE 622 N -0.53 0.00 -1.04 6.00 3.72 -1.26 -5.02 117.46 119.33 3kn5 n PHE 622 Ca 0.10 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.63 3kn5 n PHE 622 Cb 0.38 -2.45 -0.04 0.00 -0.94 0.00 0.00 39.48 36.44 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 -1.26 -2.00 0.00 -1.08 6.02 -0.86 -4.86 117.38 113.33 3kn5 n GLN 623 Ca -0.10 1.40 0.00 0.00 -0.01 0.00 0.00 57.00 58.29 3kn5 n GLN 623 Cb 0.51 -2.50 0.00 0.00 1.02 0.00 0.00 30.24 29.27 3kn5 n GLN 623 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kn5 n THR 632 N 0.00 1.22 0.00 0.00 -2.24 -1.26 -5.13 114.28 106.87 3kn5 n THR 632 Ca 0.00 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3kn5 n THR 632 Cb 0.00 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.30 3kn5 n THR 632 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kn5 n SER 633 N -3.95 0.00 0.24 3.42 2.88 -1.26 -4.96 113.62 109.99 3kn5 n SER 633 Ca -0.18 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.44 3kn5 n SER 633 Cb 0.47 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.55 3kn5 n SER 633 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kn5 h ALA 634 N 0.00 1.96 -0.25 -1.46 0.00 -1.99 0.07 119.26 117.59 3kn5 h ALA 634 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3kn5 h ALA 634 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kn5 h ALA 634 CO 0.00 0.03 -0.49 -0.39 0.00 0.00 0.00 179.25 178.41 3kn5 h VAL 635 N 0.04 1.30 -0.11 0.00 -1.51 -1.98 -2.11 116.25 111.89 3kn5 h VAL 635 Ca 0.01 -1.69 -0.17 0.00 -1.23 0.00 0.00 66.70 63.61 3kn5 h VAL 635 Cb 0.02 1.63 0.01 0.00 -2.13 0.00 0.00 31.29 30.82 3kn5 h VAL 635 CO -0.00 0.54 -0.61 -0.33 -1.23 0.00 0.00 177.57 175.93 3kn5 h GLU 636 N 0.53 0.61 -0.28 5.19 4.39 -1.43 -2.07 114.58 121.52 3kn5 h GLU 636 Ca 0.03 -0.51 0.05 0.00 0.34 0.00 0.00 59.36 59.27 3kn5 h GLU 636 Cb 1.04 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.75 3kn5 h GLU 636 CO 0.10 1.13 -0.02 0.82 -1.16 0.00 0.00 179.01 179.88 3kn5 h ILE 637 N 0.24 0.78 -0.89 3.13 2.04 -1.13 -2.14 117.51 119.56 3kn5 h ILE 637 Ca -0.05 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.87 3kn5 h ILE 637 Cb 1.26 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 3kn5 h ILE 637 CO 0.13 0.01 0.58 -0.03 0.00 0.00 0.00 178.15 178.83 3kn5 h MET 638 N 0.06 0.94 -0.81 2.37 4.05 -1.29 0.23 114.93 120.47 3kn5 h MET 638 Ca 0.13 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 3kn5 h MET 638 Cb 0.18 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 30.73 3kn5 h MET 638 CO -0.24 0.62 0.51 0.87 0.23 0.00 0.00 176.91 178.90 3kn5 h LYS 639 N 0.96 1.09 -0.42 0.39 1.57 -0.77 -0.12 116.57 119.28 3kn5 h LYS 639 Ca 0.39 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 59.00 3kn5 h LYS 639 Cb 0.27 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3kn5 h LYS 639 CO -0.15 0.75 -0.08 0.87 -0.57 0.00 0.00 179.45 180.27 3kn5 h LYS 640 N 1.11 0.73 0.67 3.15 1.57 -0.50 -2.90 116.57 120.40 3kn5 h LYS 640 Ca 0.29 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3kn5 h LYS 640 Cb -0.07 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3kn5 h LYS 640 CO -0.06 0.80 -0.38 0.82 -0.57 0.00 0.00 179.45 180.07 3kn5 h ILE 641 N 0.67 0.00 -0.97 1.86 2.04 0.45 0.52 117.51 122.09 3kn5 h ILE 641 Ca 0.12 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.23 3kn5 h ILE 641 Cb 0.54 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.49 3kn5 h ILE 641 CO 0.03 0.00 0.52 0.11 0.00 0.00 0.00 178.15 178.81 3kn5 h LYS 642 N -0.97 0.47 0.00 2.37 1.57 -1.10 -0.28 116.57 118.63 3kn5 h LYS 642 Ca -0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3kn5 h LYS 642 Cb 0.76 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3kn5 h LYS 642 CO 0.11 0.31 -0.23 -0.22 -0.57 0.00 0.00 179.45 178.85 3kn5 h LYS 643 N 0.48 0.00 -1.05 3.15 3.64 -1.33 -3.47 116.57 117.99 3kn5 h LYS 643 Ca 0.63 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.95 3kn5 h LYS 643 Cb 1.24 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.07 3kn5 h LYS 643 CO -0.52 0.00 -0.09 0.41 -2.27 0.00 0.00 179.45 176.98 3kn5 n GLY 644 N 1.29 0.48 2.53 5.01 0.00 -0.12 -4.96 105.19 109.42 3kn5 n GLY 644 Ca 0.04 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 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 1.13 7.55 -4.55 1.61 2.03 0.17 -4.92 116.55 119.57 3kn5 n ASP 645 Ca -0.02 -3.04 -0.28 0.00 0.52 0.00 0.00 54.79 51.96 3kn5 n ASP 645 Cb 0.52 -1.42 -0.10 0.00 -0.72 0.00 0.00 41.12 39.40 3kn5 n ASP 645 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3kn5 s PHE 646 N -0.29 2.64 0.09 -0.67 -0.71 -1.26 -4.50 117.98 113.27 3kn5 s PHE 646 Ca 0.54 -0.21 0.02 0.00 -1.04 0.00 0.00 56.93 56.24 3kn5 s PHE 646 Cb 0.17 -1.35 -0.04 0.00 -1.21 0.00 0.00 43.02 40.59 3kn5 s PHE 646 CO -0.07 0.45 -0.08 -1.12 -1.34 0.00 0.00 175.22 173.06 3kn5 s SER 647 N -2.46 1.18 -0.66 1.98 0.01 -1.26 -5.02 113.70 107.46 3kn5 s SER 647 Ca 0.22 -0.87 0.04 0.00 1.31 0.00 0.00 55.95 56.64 3kn5 s SER 647 Cb -0.10 0.06 0.35 0.00 0.21 0.00 0.00 66.02 66.54 3kn5 s SER 647 CO 0.13 -0.36 1.19 0.49 0.41 0.00 0.00 173.24 175.10 3kn5 n PHE 648 N 0.38 3.68 -4.12 2.43 3.72 -1.26 -4.97 117.46 117.32 3kn5 n PHE 648 Ca -0.15 -3.52 -0.25 0.00 -0.05 0.00 0.00 57.45 53.48 3kn5 n PHE 648 Cb 0.59 -0.60 -0.05 0.00 -0.94 0.00 0.00 39.48 38.47 3kn5 n PHE 648 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3kn5 s GLU 649 N -3.68 2.82 0.00 -1.08 2.56 -1.26 -4.76 118.70 113.30 3kn5 s GLU 649 Ca 0.47 -0.98 0.00 0.00 0.00 0.00 0.00 54.97 54.46 3kn5 s GLU 649 Cb 0.29 -2.56 0.00 0.00 2.00 0.00 0.00 34.13 33.85 3kn5 s GLU 649 CO -0.16 0.45 0.00 0.41 -0.56 0.00 0.00 175.26 175.40 3kn5 n GLY 650 N -0.60 1.69 0.24 -1.50 0.00 -1.26 -4.54 105.19 99.22 3kn5 n GLY 650 Ca -0.08 -2.02 0.05 0.00 0.00 0.00 0.00 46.02 43.97 3kn5 n GLY 650 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kn5 h GLU 651 N 0.00 0.10 -0.56 1.61 4.11 -1.99 -2.25 114.58 115.59 3kn5 h GLU 651 Ca 0.00 -0.02 0.03 0.00 0.07 0.00 0.00 59.36 59.44 3kn5 h GLU 651 Cb 0.00 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3kn5 h GLU 651 CO 0.00 0.23 0.37 0.00 0.07 0.00 0.00 179.01 179.68 3kn5 h ALA 652 N 1.78 1.70 -0.00 1.06 0.00 -1.92 -2.66 119.26 119.22 3kn5 h ALA 652 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kn5 h ALA 652 Cb 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kn5 h ALA 652 CO 0.02 0.24 -0.73 0.91 0.00 0.00 0.00 179.25 179.69 3kn5 n TRP 653 N -4.47 0.00 0.28 0.00 7.02 -1.03 -4.55 117.44 114.70 3kn5 n TRP 653 Ca 0.06 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.68 3kn5 n TRP 653 Cb 0.13 0.00 0.83 0.00 -2.42 0.00 0.00 31.31 29.84 3kn5 n TRP 653 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 3kn5 h LYS 654 N 0.56 0.00 -0.01 -0.99 2.10 -1.04 -2.62 116.57 114.57 3kn5 h LYS 654 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kn5 h LYS 654 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 3kn5 h LYS 654 CO 0.00 0.04 -0.05 0.09 -2.00 0.00 0.00 179.45 177.52 3kn5 n ASN 655 N -3.91 1.25 -4.76 7.07 5.03 -1.26 -5.00 115.26 113.67 3kn5 n ASN 655 Ca -0.03 -1.12 -0.41 0.00 0.87 0.00 0.00 54.58 53.89 3kn5 n ASN 655 Cb 0.12 0.20 -0.02 0.00 -1.02 0.00 0.00 39.78 39.06 3kn5 n ASN 655 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kn5 s VAL 656 N -0.71 2.86 1.11 2.41 1.01 -0.99 -4.98 120.40 121.12 3kn5 s VAL 656 Ca 0.06 0.82 -0.12 0.00 0.00 0.00 0.00 61.98 62.74 3kn5 s VAL 656 Cb 0.05 -3.52 0.25 0.00 0.00 0.00 0.00 36.38 33.16 3kn5 s VAL 656 CO 0.10 0.17 1.04 -1.54 0.00 0.00 0.00 175.10 174.88 3kn5 n SER 657 N 1.35 -1.20 0.09 3.32 3.41 -1.26 -4.90 113.62 114.42 3kn5 n SER 657 Ca 0.02 -0.01 -0.15 0.00 -0.26 0.00 0.00 58.87 58.47 3kn5 n SER 657 Cb 0.42 -1.32 -0.09 0.00 -0.26 0.00 0.00 64.21 62.96 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 -2.49 0.36 -0.39 4.33 5.75 -1.99 -3.14 115.11 117.53 3kn5 h GLN 658 Ca -0.57 -0.48 -0.07 0.00 -0.15 0.00 0.00 58.65 57.39 3kn5 h GLN 658 Cb 1.32 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 30.01 3kn5 h GLN 658 CO 0.47 1.17 -0.04 0.93 -2.65 0.00 0.00 178.83 178.72 3kn5 h GLU 659 N 0.16 0.65 0.12 1.69 3.07 -1.99 -0.35 114.58 117.92 3kn5 h GLU 659 Ca -0.11 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.57 3kn5 h GLU 659 Cb 1.78 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.61 3kn5 h GLU 659 CO 0.19 0.69 -0.06 0.00 -1.40 0.00 0.00 179.01 178.43 3kn5 h ALA 660 N 1.36 -0.16 -0.75 3.43 0.00 -1.94 -0.94 119.26 120.26 3kn5 h ALA 660 Ca 0.12 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.97 3kn5 h ALA 660 Cb 0.44 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 3kn5 h ALA 660 CO 0.02 -0.40 0.32 0.87 0.00 0.00 0.00 179.25 180.06 3kn5 h LYS 661 N -0.55 0.47 -0.50 0.00 1.57 -1.43 -0.57 116.57 115.57 3kn5 h LYS 661 Ca -0.02 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 3kn5 h LYS 661 Cb 0.43 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3kn5 h LYS 661 CO 0.03 0.31 -0.14 -0.44 -0.57 0.00 0.00 179.45 178.64 3kn5 h ASP 662 N 0.49 1.00 0.34 0.86 3.32 -1.01 -1.02 116.42 120.39 3kn5 h ASP 662 Ca 0.40 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3kn5 h ASP 662 Cb 0.56 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3kn5 h ASP 662 CO -0.37 1.13 -0.25 0.25 -1.72 0.00 0.00 179.24 178.29 3kn5 h LEU 663 N 0.85 -0.63 -1.10 1.55 5.85 -0.21 -2.09 115.31 119.51 3kn5 h LEU 663 Ca 0.13 0.05 0.17 0.00 0.84 0.00 0.00 57.88 59.06 3kn5 h LEU 663 Cb 0.71 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.85 3kn5 h LEU 663 CO 0.05 -0.38 0.61 0.40 -0.34 0.00 0.00 178.44 178.79 3kn5 h ILE 664 N -0.58 0.76 -0.45 4.05 2.04 -1.05 -1.87 117.51 120.41 3kn5 h ILE 664 Ca -0.03 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.63 3kn5 h ILE 664 Cb 0.50 -0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 3kn5 h ILE 664 CO 0.00 0.14 0.17 -0.61 0.00 0.00 0.00 178.15 177.85 3kn5 h GLN 665 N 0.76 0.33 0.00 2.37 -0.00 -0.54 0.60 115.11 118.63 3kn5 h GLN 665 Ca 0.54 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 59.14 3kn5 h GLN 665 Cb 0.83 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 28.23 3kn5 h GLN 665 CO -0.31 0.22 -0.13 0.78 0.00 0.00 0.00 178.83 179.38 3kn5 h GLY 666 N 0.34 0.00 0.81 2.39 0.00 -0.75 -2.69 103.07 103.17 3kn5 h GLY 666 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.20 3kn5 h GLY 666 CO -0.21 0.00 -1.84 1.41 0.00 0.00 0.00 176.54 175.89 3kn5 h LEU 667 N 0.00 0.34 0.00 3.11 3.38 -1.06 0.40 115.31 121.48 3kn5 h LEU 667 Ca -0.00 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.28 3kn5 h LEU 667 Cb 0.59 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kn5 h LEU 667 CO 0.02 1.61 -0.32 -0.07 0.09 0.00 0.00 178.44 179.77 3kn5 h LEU 668 N 0.06 0.00 -9.86 1.67 3.38 -0.92 -3.38 115.31 106.26 3kn5 h LEU 668 Ca -0.36 -0.04 -0.51 0.00 0.09 0.00 0.00 57.88 57.06 3kn5 h LEU 668 Cb 2.04 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.82 3kn5 h LEU 668 CO 0.11 0.02 0.53 0.28 0.09 0.00 0.00 178.44 179.46 3kn5 s THR 669 N -3.21 3.20 -0.15 0.22 -1.32 -1.02 -4.93 115.64 108.44 3kn5 s THR 669 Ca 0.06 1.16 0.18 0.00 -1.21 0.00 0.00 61.69 61.88 3kn5 s THR 669 Cb 0.09 -3.72 -0.26 0.00 -1.51 0.00 0.00 72.50 67.11 3kn5 s THR 669 CO 0.69 0.24 0.16 1.33 -2.21 0.00 0.00 174.62 174.83 3kn5 n VAL 670 N 0.81 0.97 -1.00 5.08 0.24 -1.26 -4.64 118.33 118.52 3kn5 n VAL 670 Ca 0.00 -0.72 -0.33 0.00 -2.04 0.00 0.00 64.34 61.26 3kn5 n VAL 670 Cb 0.44 -0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 32.35 3kn5 n VAL 670 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3kn5 n ASP 671 N -2.58 0.30 0.13 -1.34 4.64 -1.26 -4.78 116.55 111.66 3kn5 n ASP 671 Ca -0.24 0.23 0.19 0.00 -1.38 0.00 0.00 54.79 53.59 3kn5 n ASP 671 Cb 0.97 -0.64 0.76 0.00 -1.04 0.00 0.00 41.12 41.17 3kn5 n ASP 671 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3kn5 h PRO 672 N 7.82 0.00 0.16 -0.67 0.11 -1.95 0.34 132.00 137.82 3kn5 h PRO 672 Ca -0.05 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.72 3kn5 h PRO 672 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3kn5 h PRO 672 CO 0.92 0.00 -1.71 -0.91 -0.21 0.00 0.00 178.00 176.08 3kn5 h ASN 673 N 0.00 0.54 1.08 -2.05 -0.26 -2.00 -3.38 115.58 109.51 3kn5 h ASN 673 Ca 0.16 -0.82 -0.19 0.00 -0.56 0.00 0.00 56.30 54.90 3kn5 h ASN 673 Cb 0.97 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 38.02 3kn5 h ASN 673 CO -0.00 1.69 -0.89 0.50 -1.06 0.00 0.00 177.43 177.67 3kn5 h LYS 674 N 0.09 0.00 -6.84 0.81 3.64 -1.55 -3.47 116.57 109.26 3kn5 h LYS 674 Ca -0.32 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.53 3kn5 h LYS 674 Cb 2.08 0.00 0.06 0.00 -0.41 0.00 0.00 32.23 33.96 3kn5 h LYS 674 CO 0.17 0.89 0.65 -0.98 -2.27 0.00 0.00 179.45 177.91 3kn5 s ARG 675 N -2.79 4.35 0.22 1.90 1.70 -0.03 -4.85 118.95 119.45 3kn5 s ARG 675 Ca 0.01 2.20 -0.30 0.00 -0.47 0.00 0.00 55.73 57.18 3kn5 s ARG 675 Cb 0.10 -3.09 -0.08 0.00 -0.57 0.00 0.00 34.95 31.30 3kn5 s ARG 675 CO 0.80 -0.22 1.09 -1.17 -1.08 0.00 0.00 175.30 174.73 3kn5 s LEU 676 N -1.38 4.52 0.00 -1.89 2.96 0.14 -5.02 118.68 118.01 3kn5 s LEU 676 Ca 0.51 2.15 0.06 0.00 -0.22 0.00 0.00 54.13 56.63 3kn5 s LEU 676 Cb -0.40 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 42.74 3kn5 s LEU 676 CO 0.50 -0.18 0.52 0.29 -1.32 0.00 0.00 176.35 176.16 3kn5 n LYS 677 N 1.92 0.71 0.06 1.98 4.76 -1.26 -4.83 118.16 121.49 3kn5 n LYS 677 Ca 0.01 -3.01 -0.06 0.00 -2.87 0.00 0.00 58.31 52.38 3kn5 n LYS 677 Cb 0.46 0.11 0.12 0.00 -1.84 0.00 0.00 35.03 33.87 3kn5 n LYS 677 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 3kn5 h MET 678 N 0.00 0.36 -4.68 1.97 1.85 -1.98 -2.20 114.93 110.25 3kn5 h MET 678 Ca -0.29 -0.22 -0.67 0.00 -0.61 0.00 0.00 59.70 57.91 3kn5 h MET 678 Cb 1.15 0.02 -0.38 0.00 0.43 0.00 0.00 31.60 32.82 3kn5 h MET 678 CO 0.44 0.81 -0.70 -1.54 -0.40 0.00 0.00 176.91 175.52 3kn5 s SER 679 N -6.90 4.82 -0.34 1.39 1.04 -1.26 0.32 113.70 112.77 3kn5 s SER 679 Ca -0.05 -1.97 0.04 0.00 0.48 0.00 0.00 55.95 54.44 3kn5 s SER 679 Cb 0.12 -1.66 0.10 0.00 0.10 0.00 0.00 66.02 64.68 3kn5 s SER 679 CO 0.81 -0.37 0.05 -0.83 0.98 0.00 0.00 173.24 173.88 3kn5 s GLY 680 N 1.12 1.93 0.06 7.32 0.00 -1.26 -5.02 107.32 111.47 3kn5 s GLY 680 Ca 0.07 -2.52 0.05 0.00 0.00 0.00 0.00 44.72 42.32 3kn5 s GLY 680 CO -0.06 0.94 1.05 -2.00 0.00 0.00 0.00 173.10 173.02 3kn5 h LEU 681 N 7.64 0.13 -2.33 0.66 5.85 0.54 -3.26 115.31 124.54 3kn5 h LEU 681 Ca -0.05 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.52 3kn5 h LEU 681 Cb 1.02 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 3kn5 h LEU 681 CO 0.53 1.14 0.07 0.08 -0.34 0.00 0.00 178.44 179.92 3kn5 h ARG 682 N 0.02 0.00 -0.37 1.25 0.11 -1.67 -2.21 114.38 111.50 3kn5 h ARG 682 Ca -0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.95 3kn5 h ARG 682 Cb 1.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.98 3kn5 h ARG 682 CO 0.14 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.87 3kn5 n TYR 683 N -3.94 0.49 -2.00 4.08 4.01 -1.23 -4.88 117.16 113.70 3kn5 n TYR 683 Ca -0.01 -0.24 -0.42 0.00 -0.16 0.00 0.00 57.90 57.06 3kn5 n TYR 683 Cb 0.17 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.35 6.65 0.23 7.72 2.47 -0.83 -4.91 114.94 124.91 3kn5 s ASN 684 Ca 0.36 2.55 -0.07 0.00 0.42 0.00 0.00 52.86 56.12 3kn5 s ASN 684 Cb 0.20 -2.60 0.21 0.00 -1.45 0.00 0.00 41.25 37.61 3kn5 s ASN 684 CO 0.28 -0.77 1.87 1.05 -3.72 0.00 0.00 177.10 175.81 3kn5 h GLU 685 N 6.60 1.22 0.00 0.43 4.11 -1.92 -1.28 114.58 123.75 3kn5 h GLU 685 Ca -0.43 -0.12 -0.03 0.00 0.07 0.00 0.00 59.36 58.85 3kn5 h GLU 685 Cb 1.21 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 3kn5 h GLU 685 CO 0.89 0.86 -0.16 2.35 0.07 0.00 0.00 179.01 183.02 3kn5 h TRP 686 N 1.24 0.00 -0.00 2.06 7.01 -1.90 -2.67 115.95 121.69 3kn5 h TRP 686 Ca 0.32 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.32 3kn5 h TRP 686 Cb -0.04 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.02 3kn5 h TRP 686 CO 0.00 0.16 -0.57 1.28 -2.79 0.00 0.00 178.44 176.53 3kn5 n LEU 687 N -4.09 0.58 -4.76 0.65 4.32 -0.54 -4.91 117.00 108.24 3kn5 n LEU 687 Ca -0.02 -0.07 -0.41 0.00 -0.02 0.00 0.00 56.01 55.49 3kn5 n LEU 687 Cb 0.24 -0.21 -0.02 0.00 -1.62 0.00 0.00 43.42 41.80 3kn5 n LEU 687 CO 0.34 0.14 1.00 -1.10 -1.22 0.00 0.00 177.39 176.55 3kn5 s GLN 688 N -2.99 4.36 0.22 3.23 -1.52 -0.87 -4.91 119.66 117.18 3kn5 s GLN 688 Ca 0.11 2.19 -0.07 0.00 -1.95 0.00 0.00 55.36 55.63 3kn5 s GLN 688 Cb 0.17 -3.11 0.33 0.00 -0.22 0.00 0.00 33.01 30.19 3kn5 s GLN 688 CO 0.72 -0.23 1.78 0.22 -0.25 0.00 0.00 175.29 177.53 3kn5 h ASP 689 N 4.08 0.45 0.42 5.90 1.82 -1.91 -2.91 116.42 124.27 3kn5 h ASP 689 Ca -0.47 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.23 3kn5 h ASP 689 Cb 1.22 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.22 3kn5 h ASP 689 CO 0.70 0.26 -0.21 0.61 -1.61 0.00 0.00 179.24 178.99 3kn5 n GLY 690 N -1.30 -0.96 3.72 -0.78 0.00 -1.26 -4.90 105.19 99.70 3kn5 n GLY 690 Ca 0.11 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.63 3.92 -0.29 1.61 0.01 -1.10 -4.99 113.70 110.22 3kn5 s SER 691 Ca 0.23 2.23 -0.01 0.00 1.31 0.00 0.00 55.95 59.70 3kn5 s SER 691 Cb 0.19 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.90 3kn5 s SER 691 CO 0.53 -2.44 -0.02 -1.58 0.41 0.00 0.00 173.24 170.14 3kn5 s GLN 692 N -4.25 2.44 0.44 12.44 2.00 -1.26 -5.03 119.66 126.44 3kn5 s GLN 692 Ca 0.70 -1.25 0.07 0.00 -2.00 0.00 0.00 55.36 52.88 3kn5 s GLN 692 Cb -0.25 -3.13 -0.03 0.00 0.80 0.00 0.00 33.01 30.39 3kn5 s GLN 692 CO 0.50 -0.59 0.22 -0.51 -0.50 0.00 0.00 175.29 174.41 3kn5 s LEU 693 N 1.24 3.03 0.62 3.68 1.43 -1.26 -5.11 118.68 122.31 3kn5 s LEU 693 Ca -0.05 -1.11 -0.17 0.00 -1.03 0.00 0.00 54.13 51.77 3kn5 s LEU 693 Cb -0.19 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 3kn5 s LEU 693 CO -0.02 -0.66 1.14 -0.55 0.23 0.00 0.00 176.35 176.49 3kn5 s SER 694 N -3.98 5.24 0.00 2.29 0.15 -1.26 -4.84 113.70 111.30 3kn5 s SER 694 Ca 0.39 2.15 0.09 0.00 0.70 0.00 0.00 55.95 59.28 3kn5 s SER 694 Cb 0.02 -2.57 0.22 0.00 -1.71 0.00 0.00 66.02 61.98 3kn5 s SER 694 CO 0.22 -1.54 1.13 -1.20 1.20 0.00 0.00 173.24 173.04 3kn5 n SER 695 N -1.94 2.57 -4.64 5.45 7.64 -1.26 -3.23 113.62 118.22 3kn5 n SER 695 Ca 0.12 -1.87 -0.49 0.00 1.01 0.00 0.00 58.87 57.64 3kn5 n SER 695 Cb 0.51 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.41 2.45 -4.67 6.43 3.02 -1.26 -4.73 115.26 116.92 3kn5 n ASN 696 Ca 0.09 1.10 -0.46 0.00 -0.03 0.00 0.00 54.58 55.27 3kn5 n ASN 696 Cb 0.36 -1.32 -0.04 0.00 -0.61 0.00 0.00 39.78 38.17 3kn5 n ASN 696 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3kn5 n PRO 697 N 3.13 2.10 -2.00 3.52 -0.02 -1.26 -4.46 135.00 136.01 3kn5 n PRO 697 Ca 0.18 0.76 -0.30 0.00 -2.02 0.00 0.00 63.50 62.12 3kn5 n PRO 697 Cb 0.24 -2.52 0.03 0.00 -0.02 0.00 0.00 33.50 31.23 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 1.04 3.09 0.00 2.45 1.43 0.24 -4.97 118.68 121.97 3kn5 s LEU 698 Ca 0.80 1.15 0.29 0.00 -1.03 0.00 0.00 54.13 55.34 3kn5 s LEU 698 Cb -0.69 -4.03 1.33 0.00 0.03 0.00 0.00 46.19 42.82 3kn5 s LEU 698 CO 0.39 -1.11 1.96 0.23 0.23 0.00 0.00 176.35 178.05 3kn5 n MET 699 N -2.83 0.20 -0.23 1.70 2.81 -1.26 -4.49 117.12 113.03 3kn5 n MET 699 Ca 0.06 -0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 55.91 3kn5 n MET 699 Cb 0.56 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.72 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 0.02 1.24 -0.22 2.03 1.03 -1.80 -2.16 112.91 113.05 3kn5 h THR 700 Ca 0.00 -0.70 -0.08 0.00 -0.01 0.00 0.00 66.41 65.62 3kn5 h THR 700 Cb 0.41 0.35 -0.01 0.00 -1.07 0.00 0.00 68.15 67.82 3kn5 h THR 700 CO 0.00 0.29 -0.19 -0.65 -0.01 0.00 0.00 175.52 174.96 3kn5 h PRO 701 N 1.03 0.39 0.18 0.00 0.11 -1.79 -1.05 132.00 130.87 3kn5 h PRO 701 Ca 0.25 -0.12 -0.31 0.00 0.11 0.00 0.00 66.00 65.92 3kn5 h PRO 701 Cb 0.15 -0.04 0.03 0.00 0.11 0.00 0.00 31.00 31.25 3kn5 h PRO 701 CO -0.03 0.57 -1.33 0.22 -0.21 0.00 0.00 178.00 177.22 3kn5 h ASP 702 N 0.36 0.75 -0.27 -2.05 3.58 -1.83 -2.65 116.42 114.31 3kn5 h ASP 702 Ca 0.06 -0.76 -0.04 0.00 0.42 0.00 0.00 57.03 56.71 3kn5 h ASP 702 Cb 0.55 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 3kn5 h ASP 702 CO 0.04 1.58 0.02 0.40 -2.88 0.00 0.00 179.24 178.40 3kn5 h ILE 703 N 0.18 1.24 -1.00 2.25 2.04 -1.28 -2.23 117.51 118.70 3kn5 h ILE 703 Ca -0.20 -0.85 0.06 0.00 1.00 0.00 0.00 64.86 64.87 3kn5 h ILE 703 Cb 2.02 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 39.31 3kn5 h ILE 703 CO 0.24 0.27 0.65 -0.07 0.00 0.00 0.00 178.15 179.25 3kn5 h LEU 704 N 0.26 1.05 -0.35 1.44 4.07 -1.29 -2.80 115.31 117.69 3kn5 h LEU 704 Ca 0.08 0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.06 3kn5 h LEU 704 Cb 0.38 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 3kn5 h LEU 704 CO 0.01 0.68 0.21 1.23 -1.08 0.00 0.00 178.44 179.48 3kn5 h GLY 705 N 1.19 0.48 -0.06 0.83 0.00 -1.17 0.85 103.07 105.20 3kn5 h GLY 705 Ca 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3kn5 h GLY 705 CO -0.17 0.15 0.00 -1.14 0.00 0.00 0.00 176.54 175.38 3kn5 n SER 706 N -4.88 0.04 0.00 0.19 3.41 -0.87 -4.36 113.62 107.15 3kn5 n SER 706 Ca -0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 3kn5 n SER 706 Cb 0.05 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3kn5 n SER 706 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3kn5 n SER 707 N -0.46 0.00 -0.28 4.04 2.88 -0.96 -5.00 113.62 113.84 3kn5 n SER 707 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 3kn5 n SER 707 Cb 0.01 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 63.83 3kn5 n SER 707 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kn5 n GLY 708 N 0.00 -0.53 0.31 0.46 0.00 0.29 -3.61 105.19 102.12 3kn5 n GLY 708 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 3.74 -0.82 -0.92 4.61 0.00 -1.93 -1.34 119.26 122.60 3kn5 h ALA 709 Ca 0.00 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.88 3kn5 h ALA 709 Cb 0.52 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3kn5 h ALA 709 CO 0.00 -0.76 0.59 0.00 0.00 0.00 0.00 179.25 179.08 3kn5 h ALA 710 N -1.32 1.71 -0.78 0.00 0.00 -1.97 -1.91 119.26 114.99 3kn5 h ALA 710 Ca -0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3kn5 h ALA 710 Cb 0.57 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3kn5 h ALA 710 CO 0.13 0.05 0.36 0.28 0.00 0.00 0.00 179.25 180.06 3kn5 h VAL 711 N 0.81 1.25 -0.17 0.00 2.07 -1.61 -1.34 116.25 117.26 3kn5 h VAL 711 Ca 0.46 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3kn5 h VAL 711 Cb 0.61 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3kn5 h VAL 711 CO -0.22 0.31 0.10 -0.74 0.02 0.00 0.00 177.57 177.04 3kn5 h HIS 712 N 1.12 0.23 -0.42 1.57 2.76 -0.41 0.11 115.15 120.09 3kn5 h HIS 712 Ca 0.27 -0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.33 3kn5 h HIS 712 Cb 0.15 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 3kn5 h HIS 712 CO 0.01 0.20 -0.15 1.79 -1.30 0.00 0.00 177.93 178.49 3kn5 h THR 713 N 0.18 1.28 -0.84 6.26 1.35 -1.49 -2.00 112.91 117.65 3kn5 h THR 713 Ca 0.06 -1.28 0.01 0.00 -0.55 0.00 0.00 66.41 64.65 3kn5 h THR 713 Cb 0.05 1.21 -0.04 0.00 -1.73 0.00 0.00 68.15 67.64 3kn5 h THR 713 CO -0.01 0.43 0.56 0.00 -0.25 0.00 0.00 175.52 176.25 3kn5 h VAL 715 N 1.14 1.31 -0.68 0.00 2.07 -0.87 -1.90 116.25 117.32 3kn5 h VAL 715 Ca 0.31 -1.31 0.10 0.00 0.82 0.00 0.00 66.70 66.62 3kn5 h VAL 715 Cb -0.13 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 3kn5 h VAL 715 CO -0.07 0.41 0.30 0.11 0.02 0.00 0.00 177.57 178.34 3kn5 h LYS 716 N 0.32 0.49 -0.82 1.57 1.57 -0.67 -1.85 116.57 117.17 3kn5 h LYS 716 Ca 0.05 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kn5 h LYS 716 Cb 0.72 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 3kn5 h LYS 716 CO 0.05 0.32 0.51 0.00 -0.57 0.00 0.00 179.45 179.76 3kn5 h ALA 717 N 1.45 1.05 -0.63 3.86 0.00 -0.44 -2.55 119.26 121.99 3kn5 h ALA 717 Ca 0.35 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 3kn5 h ALA 717 Cb 0.42 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kn5 h ALA 717 CO -0.31 0.50 0.06 1.15 0.00 0.00 0.00 179.25 180.65 3kn5 h THR 718 N 1.13 1.26 -0.42 0.00 2.02 -0.61 -1.21 112.91 115.08 3kn5 h THR 718 Ca 0.30 -1.09 -0.10 0.00 0.77 0.00 0.00 66.41 66.29 3kn5 h THR 718 Cb -0.06 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3kn5 h THR 718 CO -0.06 0.40 -0.15 -0.26 0.37 0.00 0.00 175.52 175.83 3kn5 h PHE 719 N 0.99 0.86 0.33 3.16 0.04 -1.23 -1.98 116.94 119.10 3kn5 h PHE 719 Ca 0.19 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 3kn5 h PHE 719 Cb 0.49 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3kn5 h PHE 719 CO 0.04 0.87 -0.16 1.25 -0.60 0.00 0.00 178.31 179.71 3kn5 h HIS 720 N 0.69 -0.41 -1.10 -0.55 2.76 -1.24 -2.35 115.15 112.95 3kn5 h HIS 720 Ca 0.11 -0.01 0.30 0.00 -2.20 0.00 0.00 60.37 58.57 3kn5 h HIS 720 Cb 0.64 0.13 -0.10 0.00 1.55 0.00 0.00 27.41 29.63 3kn5 h HIS 720 CO 0.03 -0.22 0.71 0.00 -1.30 0.00 0.00 177.93 177.16 3kn5 h ALA 721 N 0.18 2.38 -0.41 5.26 0.00 -1.01 0.13 119.26 125.79 3kn5 h ALA 721 Ca -0.04 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3kn5 h ALA 721 Cb 0.37 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kn5 h ALA 721 CO 0.07 -0.83 -0.33 0.35 0.00 0.00 0.00 179.25 178.51 3kn5 h PHE 722 N 0.31 1.11 0.36 0.00 3.57 -0.90 -2.03 116.94 119.36 3kn5 h PHE 722 Ca 0.64 -0.31 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 3kn5 h PHE 722 Cb 1.76 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.26 3kn5 h PHE 722 CO -0.00 1.14 -0.19 -0.91 -2.23 0.00 0.00 178.31 176.11 3kn5 h ASN 723 N 0.78 -0.46 -0.22 0.41 -0.26 -0.27 -1.48 115.58 114.09 3kn5 h ASN 723 Ca 0.08 0.02 0.06 0.00 -0.56 0.00 0.00 56.30 55.89 3kn5 h ASN 723 Cb 0.92 0.13 -0.07 0.00 -1.06 0.00 0.00 38.32 38.23 3kn5 h ASN 723 CO 0.09 -0.31 -0.33 0.11 -1.06 0.00 0.00 177.43 175.92 3kn5 h LYS 724 N -0.51 -0.35 -0.84 0.81 1.57 -1.28 -0.64 116.57 115.33 3kn5 h LYS 724 Ca -0.05 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.90 3kn5 h LYS 724 Cb 0.40 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 3kn5 h LYS 724 CO 0.07 -0.23 0.55 -0.92 -0.57 0.00 0.00 179.45 178.35 3kn5 h TYR 725 N -0.36 0.72 0.00 -1.35 3.20 -1.28 -0.38 116.97 117.52 3kn5 h TYR 725 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3kn5 h TYR 725 Cb 0.55 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3kn5 h TYR 725 CO -0.46 0.27 0.00 1.63 -1.64 0.00 0.00 178.16 177.97 3kn5 n LYS 726 N -4.53 0.14 0.00 1.82 4.76 -0.37 -4.44 118.16 115.54 3kn5 n LYS 726 Ca 0.16 0.12 -0.01 0.00 -2.87 0.00 0.00 58.31 55.71 3kn5 n LYS 726 Cb 0.48 -1.66 -0.01 0.00 -1.84 0.00 0.00 35.03 31.99 3kn5 n LYS 726 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3kn5 h ARG 727 N 0.00 -0.06 0.00 1.97 9.65 0.17 -3.42 114.38 122.70 3kn5 h ARG 727 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3kn5 h ARG 727 Cb 0.62 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 3kn5 h ARG 727 CO 0.00 -0.04 0.00 -1.91 2.80 0.00 0.00 179.97 180.82 3kn5 n GLU 728 N -2.75 0.00 0.00 0.20 0.00 -1.26 -5.13 120.64 111.70 3kn5 n GLU 728 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 3kn5 n GLU 728 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.47 3kn5 n GLU 728 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54