#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksb s LEU 416 N 0.00 3.93 -0.67 -5.58 2.96 -1.26 -4.62 118.68 113.44 3ksb s LEU 416 Ca 0.00 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3ksb s LEU 416 Cb 0.00 -2.50 0.17 0.00 0.50 0.00 0.00 46.19 44.35 3ksb s LEU 416 CO 0.00 0.03 0.48 -0.89 -1.32 0.00 0.00 176.35 174.65 3ksb s THR 417 N -1.87 3.55 0.63 3.68 2.01 -0.26 -4.99 115.64 118.40 3ksb s THR 417 Ca 0.32 -3.35 -0.11 0.00 0.31 0.00 0.00 61.69 58.86 3ksb s THR 417 Cb -0.10 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 3ksb s THR 417 CO 0.25 -0.92 1.03 -2.84 -0.69 0.00 0.00 174.62 171.46 3ksb s PRO 418 N -0.51 3.48 0.86 4.92 0.02 -1.26 -1.20 135.00 141.30 3ksb s PRO 418 Ca 0.20 0.80 -0.12 0.00 0.02 0.00 0.00 61.00 61.89 3ksb s PRO 418 Cb -0.17 -2.06 0.11 0.00 0.02 0.00 0.00 34.50 32.39 3ksb s PRO 418 CO -0.06 -0.66 1.16 0.00 -0.33 0.00 0.00 177.00 177.11 3ksb s ALA 419 N -3.13 2.26 0.00 -1.55 0.00 -1.26 -4.86 121.76 113.22 3ksb s ALA 419 Ca 0.56 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3ksb s ALA 419 Cb -0.12 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.02 3ksb s ALA 419 CO 0.53 -1.96 0.60 0.94 0.00 0.00 0.00 175.76 175.87 3ksb n GLN 420 N -3.52 0.00 -2.08 0.00 -0.06 0.14 -4.75 117.38 107.11 3ksb n GLN 420 Ca 0.07 0.45 -0.41 0.00 -2.00 0.00 0.00 57.00 55.12 3ksb n GLN 420 Cb 0.60 -1.27 -0.02 0.00 -4.06 0.00 0.00 30.24 25.50 3ksb n GLN 420 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 3ksb s SER 421 N -2.30 6.73 -0.85 1.69 1.04 -1.14 -4.97 113.70 113.89 3ksb s SER 421 Ca 0.00 2.71 -0.07 0.00 0.48 0.00 0.00 55.95 59.07 3ksb s SER 421 Cb 0.00 -2.65 0.22 0.00 0.10 0.00 0.00 66.02 63.69 3ksb s SER 421 CO 0.00 -0.58 0.76 -0.75 0.98 0.00 0.00 173.24 173.65 3ksb s LYS 422 N -1.63 3.37 -0.23 4.02 2.47 -1.26 -4.85 119.74 121.62 3ksb s LYS 422 Ca 0.50 -2.88 -0.03 0.00 -1.56 0.00 0.00 55.97 52.01 3ksb s LYS 422 Cb -0.40 -4.14 0.07 0.00 -1.46 0.00 0.00 37.83 31.90 3ksb s LYS 422 CO 0.52 -1.24 0.06 1.21 0.16 0.00 0.00 175.35 176.06 3ksb s ASN 423 N 0.92 3.25 0.00 1.43 2.47 -1.26 -5.01 114.94 116.73 3ksb s ASN 423 Ca 0.23 -1.07 0.00 0.00 0.42 0.00 0.00 52.86 52.44 3ksb s ASN 423 Cb -0.12 -0.62 0.00 0.00 -1.45 0.00 0.00 41.25 39.06 3ksb s ASN 423 CO -0.08 -0.35 0.65 -2.65 -3.72 0.00 0.00 177.10 170.94 3ksb n PRO 424 N 5.03 0.65 -0.10 0.43 -0.02 -1.26 -3.16 135.00 136.58 3ksb n PRO 424 Ca -0.07 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.30 3ksb n PRO 424 Cb 0.45 -1.01 -0.15 0.00 -0.02 0.00 0.00 33.50 32.77 3ksb n PRO 424 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ksb n ALA 425 N -0.48 1.47 -2.90 3.55 0.00 -1.26 -3.57 120.51 117.31 3ksb n ALA 425 Ca 0.00 -1.23 -0.12 0.00 0.00 0.00 0.00 53.44 52.09 3ksb n ALA 425 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3ksb n ALA 425 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3ksb n LYS 426 N -2.88 0.67 -3.82 0.00 4.81 -1.19 -4.69 118.16 111.07 3ksb n LYS 426 Ca -0.34 -2.23 -0.12 0.00 -0.87 0.00 0.00 58.31 54.74 3ksb n LYS 426 Cb 1.12 -1.43 -0.11 0.00 0.02 0.00 0.00 35.03 34.63 3ksb n LYS 426 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3ksb s ASN 427 N -0.98 -0.15 0.12 3.14 0.01 -1.21 -4.79 114.94 111.07 3ksb s ASN 427 Ca 0.32 0.25 0.10 0.00 -0.71 0.00 0.00 52.86 52.83 3ksb s ASN 427 Cb 0.16 0.36 -0.04 0.00 0.41 0.00 0.00 41.25 42.14 3ksb s ASN 427 CO -0.18 -0.16 -0.25 -1.61 -1.51 0.00 0.00 177.10 173.39 3ksb s GLU 428 N -0.32 1.51 -0.20 -0.60 2.02 -1.00 -2.27 118.70 117.86 3ksb s GLU 428 Ca -0.04 -1.29 -0.03 0.00 0.02 0.00 0.00 54.97 53.62 3ksb s GLU 428 Cb -0.03 -1.95 -0.01 0.00 0.10 0.00 0.00 34.13 32.24 3ksb s GLU 428 CO 0.01 0.46 -0.05 -1.17 0.02 0.00 0.00 175.26 174.53 3ksb s LEU 429 N -1.99 2.94 -0.28 1.80 0.20 -0.15 -0.77 118.68 120.42 3ksb s LEU 429 Ca 0.15 -0.33 -0.07 0.00 0.69 0.00 0.00 54.13 54.56 3ksb s LEU 429 Cb -0.10 -1.73 0.00 0.00 -0.43 0.00 0.00 46.19 43.93 3ksb s LEU 429 CO 0.06 0.04 0.07 -0.31 -0.29 0.00 0.00 176.35 175.93 3ksb s TYR 430 N 1.13 3.13 -0.20 5.38 2.02 0.63 -0.25 117.35 129.19 3ksb s TYR 430 Ca 0.02 -0.88 -0.11 0.00 -0.37 0.00 0.00 57.07 55.73 3ksb s TYR 430 Cb -0.15 -2.25 -0.05 0.00 -0.40 0.00 0.00 41.96 39.12 3ksb s TYR 430 CO -0.01 -0.54 0.16 -0.51 -1.57 0.00 0.00 175.55 173.08 3ksb s LEU 431 N 1.52 4.21 0.21 -1.29 1.43 -0.08 -0.99 118.68 123.70 3ksb s LEU 431 Ca 0.03 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.44 3ksb s LEU 431 Cb -0.17 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 3ksb s LEU 431 CO 0.02 0.16 -0.04 -0.69 0.23 0.00 0.00 176.35 176.03 3ksb s VAL 432 N 0.43 1.18 -0.78 -1.59 1.01 -0.84 -0.89 120.40 118.92 3ksb s VAL 432 Ca 0.09 -2.06 0.25 0.00 0.00 0.00 0.00 61.98 60.26 3ksb s VAL 432 Cb -0.11 -2.21 0.09 0.00 0.00 0.00 0.00 36.38 34.15 3ksb s VAL 432 CO -0.01 -0.45 1.47 1.21 0.00 0.00 0.00 175.10 177.33 3ksb n GLU 433 N -0.38 0.19 0.00 2.72 2.13 -1.26 -1.04 120.64 123.00 3ksb n GLU 433 Ca -0.07 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.83 3ksb n GLU 433 Cb 0.63 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.70 3ksb n GLU 433 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ksb n GLY 434 N 1.39 -0.20 0.11 8.31 0.00 -1.05 -1.90 105.19 111.85 3ksb n GLY 434 Ca 0.05 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 3ksb n GLY 434 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ksb h ASP 435 N 0.00 -0.11 -0.24 1.61 3.32 -1.93 0.29 116.42 119.37 3ksb h ASP 435 Ca 0.00 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.14 3ksb h ASP 435 Cb 0.00 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 3ksb h ASP 435 CO 0.00 -0.03 0.01 0.77 -1.72 0.00 0.00 179.24 178.28 3ksb h SER 436 N 0.05 -0.06 -0.52 6.45 4.64 -1.98 -0.14 113.55 121.99 3ksb h SER 436 Ca 0.10 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 3ksb h SER 436 Cb 0.14 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3ksb h SER 436 CO -0.19 -0.00 0.21 0.00 -0.87 0.00 0.00 176.83 175.99 3ksb h ALA 437 N 1.19 0.67 -0.61 5.18 0.00 -1.86 -2.81 119.26 121.01 3ksb h ALA 437 Ca 0.11 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.03 3ksb h ALA 437 Cb 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ksb h ALA 437 CO -0.17 0.27 0.43 0.78 0.00 0.00 0.00 179.25 180.56 3ksb h GLY 438 N 0.69 0.21 1.00 0.00 0.00 0.61 -1.99 103.07 103.60 3ksb h GLY 438 Ca 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 3ksb h GLY 438 CO -0.02 0.02 -0.33 -1.33 0.00 0.00 0.00 176.54 174.88 3ksb h GLY 439 N 0.13 -0.96 0.82 4.60 0.00 -0.79 0.29 103.07 107.17 3ksb h GLY 439 Ca 0.29 0.36 0.09 0.00 0.00 0.00 0.00 47.33 48.07 3ksb h GLY 439 CO -0.04 -0.35 0.55 1.76 0.00 0.00 0.00 176.54 178.46 3ksb h SER 440 N -0.92 0.77 0.60 0.19 0.02 -1.49 -0.77 113.55 111.96 3ksb h SER 440 Ca -0.09 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3ksb h SER 440 Cb 0.70 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3ksb h SER 440 CO 0.15 0.47 -0.48 0.00 -1.14 0.00 0.00 176.83 175.83 3ksb h ALA 441 N 1.56 -1.14 -0.96 3.77 0.00 -0.93 -1.91 119.26 119.66 3ksb h ALA 441 Ca 0.38 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3ksb h ALA 441 Cb 0.35 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 3ksb h ALA 441 CO -0.15 -1.17 0.60 1.57 0.00 0.00 0.00 179.25 180.10 3ksb h LYS 442 N -1.05 0.99 0.61 0.00 2.10 -0.40 -3.16 116.57 115.66 3ksb h LYS 442 Ca -0.08 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.48 3ksb h LYS 442 Cb 0.89 -0.22 0.01 0.00 -0.90 0.00 0.00 32.23 32.00 3ksb h LYS 442 CO 0.01 0.66 -0.29 1.96 -2.00 0.00 0.00 179.45 179.78 3ksb h GLN 443 N 1.02 -0.79 -4.96 0.07 4.20 -0.94 -3.36 115.11 110.34 3ksb h GLN 443 Ca 0.44 0.05 -0.69 0.00 0.06 0.00 0.00 58.65 58.51 3ksb h GLN 443 Cb 0.32 0.18 -0.18 0.00 0.30 0.00 0.00 27.48 28.10 3ksb h GLN 443 CO -0.22 -0.48 0.78 0.20 -0.67 0.00 0.00 178.83 178.44 3ksb s GLY 444 N -2.41 1.96 -0.27 3.46 0.00 -0.74 -4.94 107.32 104.38 3ksb s GLY 444 Ca -0.15 -2.78 -0.26 0.00 0.00 0.00 0.00 44.72 41.53 3ksb s GLY 444 CO 0.51 1.97 1.25 -1.60 0.00 0.00 0.00 173.10 175.23 3ksb s ARG 445 N 2.57 0.26 -0.80 2.90 3.52 -1.26 -4.40 118.95 121.74 3ksb s ARG 445 Ca 0.31 0.22 -0.23 0.00 -0.13 0.00 0.00 55.73 55.91 3ksb s ARG 445 Cb -0.05 0.13 0.07 0.00 -1.56 0.00 0.00 34.95 33.54 3ksb s ARG 445 CO -0.09 -0.05 1.14 0.34 -0.81 0.00 0.00 175.30 175.83 3ksb s ASP 446 N -0.26 6.34 0.00 -2.12 3.68 -1.26 -4.89 116.67 118.16 3ksb s ASP 446 Ca 0.05 -1.23 0.02 0.00 2.13 0.00 0.00 52.55 53.53 3ksb s ASP 446 Cb -0.04 -2.46 0.12 0.00 -1.45 0.00 0.00 42.92 39.09 3ksb s ASP 446 CO -0.09 -1.43 0.86 -2.11 0.13 0.00 0.00 175.17 172.52 3ksb n ARG 447 N 7.93 0.04 -0.05 4.34 1.85 -1.26 -2.24 116.66 127.27 3ksb n ARG 447 Ca 0.10 0.24 -0.11 0.00 -1.00 0.00 0.00 57.85 57.08 3ksb n ARG 447 Cb 0.48 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.34 3ksb n ARG 447 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3ksb h LYS 448 N 0.00 0.27 -0.67 2.89 1.79 -1.95 0.41 116.57 119.31 3ksb h LYS 448 Ca 0.00 -0.05 -0.31 0.00 -2.18 0.00 0.00 60.65 58.12 3ksb h LYS 448 Cb 0.02 -0.04 -0.34 0.00 -1.58 0.00 0.00 32.23 30.28 3ksb h LYS 448 CO 0.00 0.34 -0.98 1.97 -1.08 0.00 0.00 179.45 179.69 3ksb n PHE 449 N -4.85 0.34 -3.61 -1.35 -1.74 -0.95 -2.90 117.46 102.40 3ksb n PHE 449 Ca -0.04 -2.47 -0.16 0.00 -0.56 0.00 0.00 57.45 54.22 3ksb n PHE 449 Cb 0.12 0.11 -0.14 0.00 1.52 0.00 0.00 39.48 41.09 3ksb n PHE 449 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 3ksb s GLN 450 N -2.46 0.12 0.10 3.97 -0.21 -1.12 -2.36 119.66 117.70 3ksb s GLN 450 Ca 0.25 0.52 0.09 0.00 0.02 0.00 0.00 55.36 56.24 3ksb s GLN 450 Cb 0.43 -0.47 -0.04 0.00 1.00 0.00 0.00 33.01 33.93 3ksb s GLN 450 CO -0.01 -0.40 -0.19 0.00 -2.12 0.00 0.00 175.29 172.57 3ksb s ALA 451 N 2.35 2.64 -0.07 6.09 0.00 0.05 -4.06 121.76 128.76 3ksb s ALA 451 Ca 0.04 -1.33 -0.00 0.00 0.00 0.00 0.00 51.96 50.66 3ksb s ALA 451 Cb -0.13 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.37 3ksb s ALA 451 CO -0.09 0.59 -0.03 0.42 0.00 0.00 0.00 175.76 176.65 3ksb s ILE 452 N -1.10 0.57 -0.18 0.00 1.01 -0.34 -0.27 121.20 120.90 3ksb s ILE 452 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.77 3ksb s ILE 452 Cb -0.11 -0.66 0.05 0.00 0.01 0.00 0.00 42.46 41.75 3ksb s ILE 452 CO 0.09 0.27 -0.05 -0.22 0.00 0.00 0.00 174.94 175.04 3ksb s LEU 453 N 1.56 1.72 0.33 2.97 1.98 -0.16 -1.10 118.68 125.99 3ksb s LEU 453 Ca -0.01 -0.75 -0.22 0.00 -2.89 0.00 0.00 54.13 50.26 3ksb s LEU 453 Cb -0.13 -0.93 -0.10 0.00 0.66 0.00 0.00 46.19 45.69 3ksb s LEU 453 CO -0.04 -0.20 0.88 -2.84 -1.89 0.00 0.00 176.35 172.26 3ksb s PRO 454 N 1.61 4.37 0.12 0.98 0.02 -1.26 -1.98 135.00 138.87 3ksb s PRO 454 Ca -0.00 1.11 0.10 0.00 0.02 0.00 0.00 61.00 62.23 3ksb s PRO 454 Cb -0.16 -2.62 -0.04 0.00 0.02 0.00 0.00 34.50 31.70 3ksb s PRO 454 CO -0.07 0.21 -0.22 -0.51 -0.33 0.00 0.00 177.00 176.08 3ksb s LEU 455 N -2.42 2.53 -1.12 -5.54 1.43 -0.20 -4.85 118.68 108.50 3ksb s LEU 455 Ca 0.52 -0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 52.78 3ksb s LEU 455 Cb -0.15 -1.39 0.10 0.00 0.03 0.00 0.00 46.19 44.77 3ksb s LEU 455 CO 0.20 0.18 1.47 0.00 0.23 0.00 0.00 176.35 178.43 3ksb s ARG 456 N -2.12 3.81 5.61 1.70 1.04 -1.26 -2.53 118.95 125.20 3ksb s ARG 456 Ca 0.16 -1.80 0.00 0.00 -1.04 0.00 0.00 55.73 53.05 3ksb s ARG 456 Cb -0.10 -5.27 0.00 0.00 -2.04 0.00 0.00 34.95 27.54 3ksb s ARG 456 CO 0.08 -2.05 0.00 0.41 -0.04 0.00 0.00 175.30 173.70 3ksb n GLY 457 N 5.61 2.61 3.78 3.88 0.00 -0.80 -4.77 105.19 115.50 3ksb n GLY 457 Ca 0.37 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3ksb n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksb s LYS 458 N 0.00 4.14 -0.14 1.61 1.02 -1.26 -4.97 119.74 120.13 3ksb s LYS 458 Ca 0.00 2.48 -0.07 0.00 0.02 0.00 0.00 55.97 58.40 3ksb s LYS 458 Cb 0.00 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 3ksb s LYS 458 CO 0.00 -0.47 0.11 0.08 -0.92 0.00 0.00 175.35 174.14 3ksb s VAL 459 N -1.13 5.20 -0.19 3.17 1.01 -1.26 -5.03 120.40 122.17 3ksb s VAL 459 Ca 0.52 0.10 -0.41 0.00 0.00 0.00 0.00 61.98 62.19 3ksb s VAL 459 Cb -0.45 -3.29 -0.19 0.00 0.00 0.00 0.00 36.38 32.45 3ksb s VAL 459 CO 0.61 0.55 1.24 -0.38 0.00 0.00 0.00 175.10 177.12 3ksb n ILE 460 N 2.59 0.00 -2.04 2.22 5.41 -1.26 -4.80 119.36 121.48 3ksb n ILE 460 Ca -0.18 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.17 3ksb n ILE 460 Cb 0.54 -0.19 -0.03 0.00 -0.71 0.00 0.00 39.64 39.25 3ksb n ILE 460 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3ksb s ASN 461 N 1.15 5.48 0.16 4.38 3.84 -1.26 -4.81 114.94 123.87 3ksb s ASN 461 Ca 0.93 0.65 0.21 0.00 0.21 0.00 0.00 52.86 54.87 3ksb s ASN 461 Cb -1.32 -2.53 0.87 0.00 -0.55 0.00 0.00 41.25 37.72 3ksb s ASN 461 CO 0.65 -2.15 1.66 0.35 -2.79 0.00 0.00 177.10 174.81 3ksb n THR 462 N 7.28 0.80 -0.17 -5.21 -2.24 -1.26 -1.73 114.28 111.75 3ksb n THR 462 Ca 0.21 0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.28 3ksb n THR 462 Cb 0.50 -1.01 0.29 0.00 -2.10 0.00 0.00 70.33 68.02 3ksb n THR 462 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ksb n ALA 463 N -1.67 2.39 -2.58 6.98 0.00 -1.26 -5.02 120.51 119.35 3ksb n ALA 463 Ca 0.03 -1.21 0.03 0.00 0.00 0.00 0.00 53.44 52.29 3ksb n ALA 463 Cb 0.24 -0.92 0.03 0.00 0.00 0.00 0.00 19.45 18.80 3ksb n ALA 463 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3ksb n LYS 464 N 1.64 0.44 0.00 0.00 4.81 -0.71 -4.59 118.16 119.75 3ksb n LYS 464 Ca 0.23 -2.38 0.00 0.00 -0.87 0.00 0.00 58.31 55.29 3ksb n LYS 464 Cb 0.63 -0.41 0.00 0.00 0.02 0.00 0.00 35.03 35.27 3ksb n LYS 464 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ksb n ALA 468 N 0.22 0.00 -0.22 3.14 0.00 -1.26 -5.06 120.51 117.32 3ksb n ALA 468 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 3ksb n ALA 468 Cb 1.06 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.62 3ksb n ALA 468 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3ksb h ASP 469 N 0.00 0.44 0.33 0.00 -0.00 -2.04 -3.01 116.42 112.14 3ksb h ASP 469 Ca 0.00 0.05 -0.02 0.00 -0.00 0.00 0.00 57.03 57.06 3ksb h ASP 469 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 39.30 3ksb h ASP 469 CO 0.00 0.27 -0.17 0.40 -0.00 0.00 0.00 179.24 179.74 3ksb h ILE 470 N 0.59 0.00 -0.01 4.15 2.04 -1.98 -3.20 117.51 119.10 3ksb h ILE 470 Ca 0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.17 3ksb h ILE 470 Cb 0.27 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3ksb h ILE 470 CO -0.23 0.00 0.01 -0.07 0.00 0.00 0.00 178.15 177.86 3ksb h LEU 471 N -0.46 0.00 0.00 1.44 3.38 -2.00 0.23 115.31 117.89 3ksb h LEU 471 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ksb h LEU 471 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ksb h LEU 471 CO 0.07 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.89 3ksb n LYS 472 N -4.22 0.35 -3.03 1.13 4.76 -1.14 -4.44 118.16 111.58 3ksb n LYS 472 Ca -0.03 0.08 -0.44 0.00 -2.87 0.00 0.00 58.31 55.06 3ksb n LYS 472 Cb 0.10 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.74 3ksb n LYS 472 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3ksb s ASN 473 N -2.38 6.23 0.11 4.39 6.03 0.79 -4.94 114.94 125.16 3ksb s ASN 473 Ca 0.20 -0.94 -0.07 0.00 -1.03 0.00 0.00 52.86 51.02 3ksb s ASN 473 Cb 0.12 -2.34 0.14 0.00 -3.03 0.00 0.00 41.25 36.13 3ksb s ASN 473 CO 0.24 -1.11 0.71 -0.62 -2.03 0.00 0.00 177.10 174.29 3ksb n GLU 474 N 6.74 -0.09 -0.13 3.55 1.02 -1.26 -0.13 120.64 130.33 3ksb n GLU 474 Ca -0.05 0.70 -0.06 0.00 -0.02 0.00 0.00 57.16 57.73 3ksb n GLU 474 Cb 0.45 -1.05 0.02 0.00 -0.02 0.00 0.00 31.44 30.85 3ksb n GLU 474 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3ksb h GLU 475 N 0.00 0.42 -0.10 3.49 5.08 -1.94 0.44 114.58 121.97 3ksb h GLU 475 Ca 0.17 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3ksb h GLU 475 Cb 0.29 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3ksb h GLU 475 CO -0.46 0.28 0.01 0.82 -1.00 0.00 0.00 179.01 178.66 3ksb h ILE 476 N 0.43 1.23 -0.75 3.13 1.08 -0.84 -2.99 117.51 118.80 3ksb h ILE 476 Ca 0.18 -0.72 0.11 0.00 -0.39 0.00 0.00 64.86 64.03 3ksb h ILE 476 Cb 0.07 1.53 -0.08 0.00 -3.07 0.00 0.00 36.82 35.27 3ksb h ILE 476 CO -0.12 0.21 0.38 0.78 -0.69 0.00 0.00 178.15 178.71 3ksb h ASN 477 N -0.09 0.47 -0.29 1.72 -0.26 -0.68 -1.79 115.58 114.67 3ksb h ASN 477 Ca 0.03 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.83 3ksb h ASN 477 Cb 0.31 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.55 3ksb h ASN 477 CO 0.00 0.25 0.15 0.71 -1.06 0.00 0.00 177.43 177.48 3ksb h THR 478 N 0.61 1.15 -0.69 2.81 1.35 -0.97 -2.10 112.91 115.06 3ksb h THR 478 Ca 0.38 -0.41 0.12 0.00 -0.55 0.00 0.00 66.41 65.96 3ksb h THR 478 Cb 0.45 0.88 -0.09 0.00 -1.73 0.00 0.00 68.15 67.67 3ksb h THR 478 CO -0.30 0.15 0.25 0.24 -0.25 0.00 0.00 175.52 175.61 3ksb h MET 479 N 0.34 0.40 0.54 4.72 2.07 -1.19 -0.60 114.93 121.21 3ksb h MET 479 Ca 0.10 -0.02 -0.02 0.00 -2.07 0.00 0.00 59.70 57.68 3ksb h MET 479 Cb 0.10 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 29.75 3ksb h MET 479 CO -0.01 0.27 -0.28 0.82 1.07 0.00 0.00 176.91 178.78 3ksb h ILE 480 N 0.41 0.44 -0.15 -1.22 2.04 -1.13 -2.89 117.51 115.02 3ksb h ILE 480 Ca 0.36 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.26 3ksb h ILE 480 Cb 0.51 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3ksb h ILE 480 CO -0.37 0.00 -0.07 1.88 0.00 0.00 0.00 178.15 179.59 3ksb h TYR 481 N -0.75 -0.16 0.00 1.37 0.05 -0.68 -1.99 116.97 114.82 3ksb h TYR 481 Ca -0.07 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3ksb h TYR 481 Cb 0.58 0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.42 3ksb h TYR 481 CO -0.05 -0.11 0.00 0.25 -1.05 0.00 0.00 178.16 177.20 3ksb n THR 482 N -5.21 1.07 -0.04 -2.88 -2.24 -0.31 -2.70 114.28 101.98 3ksb n THR 482 Ca -0.03 0.27 0.02 0.00 -2.27 0.00 0.00 64.05 62.03 3ksb n THR 482 Cb 0.13 -1.08 -0.13 0.00 -2.10 0.00 0.00 70.33 67.15 3ksb n THR 482 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3ksb n ILE 483 N -1.43 0.48 0.00 2.28 5.41 -0.79 -4.97 119.36 120.34 3ksb n ILE 483 Ca 0.04 -0.52 0.00 0.00 1.00 0.00 0.00 62.75 63.26 3ksb n ILE 483 Cb 0.12 -0.19 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 3ksb n ILE 483 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ksb n GLY 484 N 1.72 1.03 5.64 7.39 0.00 -0.96 -2.96 105.19 117.06 3ksb n GLY 484 Ca -0.13 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3ksb n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksb n ALA 485 N 3.92 0.00 0.00 4.61 0.00 -1.26 -4.71 120.51 123.06 3ksb n ALA 485 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ksb n ALA 485 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ksb n ALA 485 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksb n GLY 486 N 0.00 1.81 0.00 0.00 0.00 -1.24 -4.59 105.19 101.17 3ksb n GLY 486 Ca 0.00 -2.17 0.13 0.00 0.00 0.00 0.00 46.02 43.99 3ksb n GLY 486 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ksb n VAL 487 N -0.44 0.00 0.00 1.61 0.24 -1.26 -3.89 118.33 114.59 3ksb n VAL 487 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3ksb n VAL 487 Cb 0.00 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 3ksb n VAL 487 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3ksb n ASP 490 N -1.49 0.00 0.00 -1.34 4.64 -1.26 -4.82 116.55 112.28 3ksb n ASP 490 Ca 0.07 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.48 3ksb n ASP 490 Cb 0.34 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.42 3ksb n ASP 490 CO 0.00 0.00 0.00 0.33 -0.82 0.00 0.00 177.20 176.71 3ksb n PHE 491 N 0.00 0.00 -0.64 -0.67 -0.00 -1.25 -5.03 117.46 109.86 3ksb n PHE 491 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.48 3ksb n PHE 491 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 39.46 3ksb n PHE 491 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3ksb n SER 492 N 0.00 -3.46 0.00 -2.13 3.41 -1.26 -3.70 113.62 106.48 3ksb n SER 492 Ca 0.00 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 3ksb n SER 492 Cb 0.00 -1.81 0.00 0.00 -0.26 0.00 0.00 64.21 62.14 3ksb n SER 492 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3ksb n ILE 493 N -2.42 0.00 -3.88 -1.33 5.41 -1.26 -4.36 119.36 111.52 3ksb n ILE 493 Ca -0.02 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.38 3ksb n ILE 493 Cb 0.24 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.09 3ksb n ILE 493 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3ksb s GLU 494 N 3.81 3.89 0.00 0.38 -1.05 -1.26 -4.60 118.70 119.88 3ksb s GLU 494 Ca 0.00 -0.25 0.00 0.00 -0.15 0.00 0.00 54.97 54.57 3ksb s GLU 494 Cb 0.00 -3.27 0.00 0.00 -0.44 0.00 0.00 34.13 30.42 3ksb s GLU 494 CO 0.00 0.42 0.00 0.00 0.95 0.00 0.00 175.26 176.63 3ksb n ALA 496 N 3.11 -1.27 -0.04 -0.84 0.00 -1.26 -5.19 120.51 115.01 3ksb n ALA 496 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3ksb n ALA 496 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3ksb n ALA 496 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ksb n ASN 497 N 0.00 0.00 -3.76 0.00 2.85 -1.16 -4.61 115.26 108.58 3ksb n ASN 497 Ca 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.34 3ksb n ASN 497 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 3ksb n ASN 497 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3ksb s TYR 498 N 0.00 -0.30 -0.73 1.20 2.02 -1.26 -4.14 117.35 114.14 3ksb s TYR 498 Ca 0.00 0.68 0.06 0.00 -0.37 0.00 0.00 57.07 57.43 3ksb s TYR 498 Cb 0.00 0.11 0.33 0.00 -0.40 0.00 0.00 41.96 42.00 3ksb s TYR 498 CO 0.00 -0.24 1.01 -3.47 -1.57 0.00 0.00 175.55 171.28 3ksb n ASP 499 N 2.41 2.88 -3.61 2.29 2.03 -0.96 -4.67 116.55 116.93 3ksb n ASP 499 Ca -0.16 -2.37 -0.03 0.00 0.52 0.00 0.00 54.79 52.76 3ksb n ASP 499 Cb 0.57 -0.57 -0.06 0.00 -0.72 0.00 0.00 41.12 40.35 3ksb n ASP 499 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ksb s LYS 500 N -1.71 0.54 -0.23 -0.67 1.02 -1.24 -4.84 119.74 112.61 3ksb s LYS 500 Ca 0.22 1.10 -0.01 0.00 0.02 0.00 0.00 55.97 57.30 3ksb s LYS 500 Cb 0.17 0.38 0.02 0.00 -0.52 0.00 0.00 37.83 37.88 3ksb s LYS 500 CO 0.07 -0.14 -0.10 0.42 -0.92 0.00 0.00 175.35 174.67 3ksb s ILE 501 N 2.05 2.70 -0.10 2.17 1.01 -0.07 -0.98 121.20 127.98 3ksb s ILE 501 Ca -0.08 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.65 3ksb s ILE 501 Cb -0.07 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3ksb s ILE 501 CO -0.18 0.32 -0.16 -0.63 0.00 0.00 0.00 174.94 174.29 3ksb s ILE 502 N 1.33 2.87 -0.33 2.92 1.01 0.65 -0.81 121.20 128.84 3ksb s ILE 502 Ca 0.02 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 3ksb s ILE 502 Cb -0.15 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 3ksb s ILE 502 CO -0.07 0.55 0.20 -0.63 0.00 0.00 0.00 174.94 174.99 3ksb s ILE 503 N 0.02 4.98 -0.27 2.92 1.01 0.22 -0.90 121.20 129.18 3ksb s ILE 503 Ca -0.05 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.31 3ksb s ILE 503 Cb -0.15 -3.55 0.07 0.00 0.01 0.00 0.00 42.46 38.85 3ksb s ILE 503 CO 0.04 0.03 -0.04 -0.32 0.00 0.00 0.00 174.94 174.65 3ksb s MET 504 N 1.67 1.73 0.29 2.79 1.75 -0.07 -0.98 119.30 126.48 3ksb s MET 504 Ca 0.05 -1.31 0.11 0.00 -1.25 0.00 0.00 55.69 53.30 3ksb s MET 504 Cb -0.17 -2.78 -0.05 0.00 2.84 0.00 0.00 34.83 34.67 3ksb s MET 504 CO 0.09 -0.69 -0.17 0.95 -0.65 0.00 0.00 175.02 174.54 3ksb s THR 505 N 1.21 2.44 0.56 10.11 -4.23 -1.26 -4.09 115.64 120.38 3ksb s THR 505 Ca -0.02 -2.36 -0.18 0.00 -1.18 0.00 0.00 61.69 57.95 3ksb s THR 505 Cb -0.19 -2.38 -0.14 0.00 1.34 0.00 0.00 72.50 71.12 3ksb s THR 505 CO -0.08 -0.36 -0.13 0.47 -0.54 0.00 0.00 174.62 173.99 3ksb n ASP 506 N -0.66 -3.65 -0.10 3.99 9.92 -1.26 -4.80 116.55 119.98 3ksb n ASP 506 Ca -0.05 0.61 0.15 0.00 -0.53 0.00 0.00 54.79 54.97 3ksb n ASP 506 Cb 0.61 -0.87 0.69 0.00 -0.64 0.00 0.00 41.12 40.90 3ksb n ASP 506 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ksb n ALA 507 N -1.64 2.69 -1.24 2.24 0.00 -1.26 -4.25 120.51 117.05 3ksb n ALA 507 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3ksb n ALA 507 Cb 0.48 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3ksb n ALA 507 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ksb n ASP 508 N -0.93 0.00 0.09 0.00 5.68 -1.26 -4.85 116.55 115.27 3ksb n ASP 508 Ca 0.16 -0.77 -0.12 0.00 -0.50 0.00 0.00 54.79 53.56 3ksb n ASP 508 Cb 0.25 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.12 3ksb n ASP 508 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3ksb h THR 509 N -0.66 1.55 -0.20 2.12 1.35 -2.00 -2.48 112.91 112.59 3ksb h THR 509 Ca 0.00 -3.05 0.04 0.00 -0.55 0.00 0.00 66.41 62.85 3ksb h THR 509 Cb 0.00 2.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 3ksb h THR 509 CO 0.00 0.88 0.14 0.44 -0.25 0.00 0.00 175.52 176.73 3ksb h ASP 510 N 0.07 0.09 -0.23 5.36 3.32 -1.94 -1.63 116.42 121.46 3ksb h ASP 510 Ca -0.09 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3ksb h ASP 510 Cb 1.82 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 41.33 3ksb h ASP 510 CO 0.17 0.06 0.12 1.23 -1.72 0.00 0.00 179.24 179.10 3ksb h GLY 511 N 0.10 0.31 1.53 2.75 0.00 -1.62 -1.86 103.07 104.28 3ksb h GLY 511 Ca 0.09 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3ksb h GLY 511 CO -0.01 0.08 0.23 0.00 0.00 0.00 0.00 176.54 176.83 3ksb h ALA 512 N 1.11 1.95 -0.42 3.60 0.00 -1.25 0.14 119.26 124.39 3ksb h ALA 512 Ca 0.09 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3ksb h ALA 512 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ksb h ALA 512 CO -0.06 -0.00 -0.25 1.25 0.00 0.00 0.00 179.25 180.20 3ksb h HIS 513 N 0.29 1.05 -0.47 0.00 6.17 -0.93 -0.74 115.15 120.52 3ksb h HIS 513 Ca 0.14 -0.27 -0.11 0.00 0.71 0.00 0.00 60.37 60.83 3ksb h HIS 513 Cb 0.20 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 29.88 3ksb h HIS 513 CO -0.00 1.07 -0.16 0.82 0.71 0.00 0.00 177.93 180.37 3ksb h ILE 514 N 0.73 1.27 -0.17 6.26 2.04 -0.53 0.24 117.51 127.35 3ksb h ILE 514 Ca 0.09 -1.30 0.04 0.00 1.00 0.00 0.00 64.86 64.69 3ksb h ILE 514 Cb 0.82 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 3ksb h ILE 514 CO 0.07 0.45 -0.06 1.56 0.00 0.00 0.00 178.15 180.16 3ksb h GLN 515 N 0.81 -0.04 -0.40 2.37 4.20 -0.65 0.54 115.11 121.94 3ksb h GLN 515 Ca 0.12 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.91 3ksb h GLN 515 Cb 0.70 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.41 3ksb h GLN 515 CO 0.05 -0.02 -0.13 1.15 -0.67 0.00 0.00 178.83 179.20 3ksb h THR 516 N -0.04 0.53 -0.17 -0.54 2.02 -0.69 -0.77 112.91 113.26 3ksb h THR 516 Ca 0.09 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 3ksb h THR 516 Cb 0.17 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3ksb h THR 516 CO -0.19 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.65 3ksb h LEU 517 N -0.05 0.27 -0.27 2.58 3.38 -0.53 -2.57 115.31 118.12 3ksb h LEU 517 Ca 0.20 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3ksb h LEU 517 Cb 0.35 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3ksb h LEU 517 CO -0.44 0.47 0.16 -0.07 0.09 0.00 0.00 178.44 178.65 3ksb h LEU 518 N 0.06 0.27 -0.40 1.67 3.38 -0.62 -2.61 115.31 117.06 3ksb h LEU 518 Ca 0.05 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3ksb h LEU 518 Cb 0.31 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3ksb h LEU 518 CO 0.00 0.20 0.13 -0.07 0.09 0.00 0.00 178.44 178.79 3ksb h LEU 519 N 0.33 0.13 -1.86 1.67 3.38 -1.10 -1.07 115.31 116.79 3ksb h LEU 519 Ca 0.10 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3ksb h LEU 519 Cb -0.01 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3ksb h LEU 519 CO -0.04 0.11 -0.13 0.71 0.09 0.00 0.00 178.44 179.18 3ksb h THR 520 N 0.29 0.84 0.17 0.22 1.35 -1.28 0.33 112.91 114.82 3ksb h THR 520 Ca 0.18 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 3ksb h THR 520 Cb 0.17 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3ksb h THR 520 CO -0.20 0.13 -0.08 0.15 -0.25 0.00 0.00 175.52 175.27 3ksb h PHE 521 N 0.00 -0.21 0.32 4.73 -0.00 -0.84 0.52 116.94 121.46 3ksb h PHE 521 Ca -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.95 3ksb h PHE 521 Cb 0.27 0.07 -0.00 0.00 -0.00 0.00 0.00 35.95 36.29 3ksb h PHE 521 CO 0.00 0.00 -0.19 0.74 -0.00 0.00 0.00 178.31 178.86 3ksb h PHE 522 N -0.39 -0.50 -0.57 0.41 0.04 -0.62 -0.44 116.94 114.87 3ksb h PHE 522 Ca -0.02 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.82 3ksb h PHE 522 Cb 0.31 0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.57 3ksb h PHE 522 CO -0.02 -0.30 0.22 -0.92 -0.60 0.00 0.00 178.31 176.69 3ksb h TYR 523 N -0.49 0.38 0.72 -0.55 3.20 -0.42 -1.66 116.97 118.15 3ksb h TYR 523 Ca -0.03 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3ksb h TYR 523 Cb 0.40 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 38.60 3ksb h TYR 523 CO -0.09 0.11 -0.34 0.00 -1.64 0.00 0.00 178.16 176.20 3ksb h ARG 524 N 0.41 -0.93 0.00 1.82 2.47 -0.75 -3.35 114.38 114.04 3ksb h ARG 524 Ca 0.28 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 3ksb h ARG 524 Cb 0.32 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 3ksb h ARG 524 CO -0.28 -0.62 0.00 0.66 0.56 0.00 0.00 179.97 180.29 3ksb n TYR 525 N -5.06 0.00 0.06 3.04 4.02 -0.18 -4.47 117.16 114.57 3ksb n TYR 525 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 3ksb n TYR 525 Cb 0.38 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 3ksb n TYR 525 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 3ksb n MET 526 N -1.55 0.06 -0.32 -0.72 2.81 -0.68 -4.65 117.12 112.07 3ksb n MET 526 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 3ksb n MET 526 Cb 0.00 -1.44 0.13 0.00 -0.71 0.00 0.00 33.22 31.20 3ksb n MET 526 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3ksb h ARG 527 N 1.82 0.00 -0.57 0.03 2.43 -1.55 0.12 114.38 116.66 3ksb h ARG 527 Ca 0.00 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3ksb h ARG 527 Cb 0.06 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3ksb h ARG 527 CO 0.00 0.00 0.34 -1.35 -1.51 0.00 0.00 179.97 177.45 3ksb h PRO 528 N 0.00 0.66 -0.98 0.20 0.11 -1.88 0.49 132.00 130.60 3ksb h PRO 528 Ca 0.44 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.69 3ksb h PRO 528 Cb 0.69 -0.15 -0.18 0.00 0.11 0.00 0.00 31.00 31.47 3ksb h PRO 528 CO -0.93 0.43 -0.30 1.25 -0.21 0.00 0.00 178.00 178.25 3ksb h LEU 529 N 0.67 -1.10 -0.06 2.35 6.46 -1.12 1.45 115.31 123.96 3ksb h LEU 529 Ca 0.23 0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 58.28 3ksb h LEU 529 Cb 0.03 0.66 -0.00 0.00 -0.73 0.00 0.00 40.66 40.61 3ksb h LEU 529 CO -0.10 -0.31 -0.01 0.58 -0.62 0.00 0.00 178.44 177.98 3ksb h VAL 530 N -0.00 1.28 -0.76 1.05 2.07 -0.60 -3.03 116.25 116.25 3ksb h VAL 530 Ca 0.43 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 67.15 3ksb h VAL 530 Cb 0.68 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 3ksb h VAL 530 CO -1.00 0.23 0.50 -0.33 0.02 0.00 0.00 177.57 176.99 3ksb h GLU 531 N -0.21 0.81 0.08 1.57 3.07 0.34 -3.03 114.58 117.21 3ksb h GLU 531 Ca 0.02 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3ksb h GLU 531 Cb 0.38 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3ksb h GLU 531 CO 0.00 0.53 -0.06 0.00 -1.40 0.00 0.00 179.01 178.09 3ksb h ALA 532 N 1.58 -0.86 0.00 3.43 0.00 0.18 -3.44 119.26 120.15 3ksb h ALA 532 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3ksb h ALA 532 Cb 0.22 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ksb h ALA 532 CO -0.11 -0.86 0.00 0.41 0.00 0.00 0.00 179.25 178.69 3ksb n GLY 533 N -1.07 0.33 0.00 0.00 0.00 -1.15 -5.05 105.19 98.25 3ksb n GLY 533 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3ksb n GLY 533 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ksb n HIS 534 N 0.00 0.00 -3.70 1.61 -0.00 -1.16 -4.96 115.22 107.01 3ksb n HIS 534 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 3ksb n HIS 534 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 29.88 3ksb n HIS 534 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3ksb s VAL 535 N -0.08 5.07 0.13 1.59 1.01 -1.26 -0.89 120.40 125.96 3ksb s VAL 535 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.15 3ksb s VAL 535 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3ksb s VAL 535 CO 0.00 0.33 -0.22 -0.31 0.00 0.00 0.00 175.10 174.90 3ksb s TYR 536 N 1.32 1.95 -0.09 5.22 2.02 0.01 -1.67 117.35 126.11 3ksb s TYR 536 Ca 0.07 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 3ksb s TYR 536 Cb -0.15 -1.03 -0.02 0.00 -0.40 0.00 0.00 41.96 40.36 3ksb s TYR 536 CO 0.06 0.29 -0.15 0.42 -1.57 0.00 0.00 175.55 174.60 3ksb s ILE 537 N -1.41 2.94 -0.05 2.71 1.01 0.04 -0.61 121.20 125.84 3ksb s ILE 537 Ca 0.12 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 3ksb s ILE 537 Cb -0.09 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3ksb s ILE 537 CO 0.06 0.56 0.15 0.00 0.00 0.00 0.00 174.94 175.70 3ksb s ALA 538 N -0.13 3.87 -0.59 9.38 0.00 -0.16 -0.63 121.76 133.50 3ksb s ALA 538 Ca -0.02 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.25 3ksb s ALA 538 Cb -0.14 -1.87 0.15 0.00 0.00 0.00 0.00 23.12 21.26 3ksb s ALA 538 CO 0.04 0.69 0.37 -0.51 0.00 0.00 0.00 175.76 176.34 3ksb s LEU 539 N -1.55 4.26 0.23 0.00 1.43 -1.26 -4.64 118.68 117.16 3ksb s LEU 539 Ca 0.22 -3.36 -0.12 0.00 -1.03 0.00 0.00 54.13 49.84 3ksb s LEU 539 Cb -0.12 -1.53 -0.08 0.00 0.03 0.00 0.00 46.19 44.49 3ksb s LEU 539 CO 0.12 -0.17 0.60 -2.16 0.23 0.00 0.00 176.35 174.97 3ksb s PRO 540 N -0.74 3.89 0.85 1.29 0.05 -1.26 -4.89 135.00 134.19 3ksb s PRO 540 Ca 0.21 0.42 -0.13 0.00 0.05 0.00 0.00 61.00 61.55 3ksb s PRO 540 Cb -0.15 -2.66 0.07 0.00 0.05 0.00 0.00 34.50 31.82 3ksb s PRO 540 CO -0.08 0.31 0.94 -2.30 0.05 0.00 0.00 177.00 175.92 3ksb n PRO 541 N 0.00 -0.06 -0.06 0.56 -0.02 -1.26 -4.67 135.00 129.50 3ksb n PRO 541 Ca 0.00 0.05 -0.11 0.00 -2.02 0.00 0.00 63.50 61.42 3ksb n PRO 541 Cb 0.52 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 3ksb n PRO 541 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3ksb n LEU 542 N -2.72 1.89 -4.38 2.45 0.00 -0.37 -4.62 117.00 109.25 3ksb n LEU 542 Ca 0.11 0.05 -0.32 0.00 0.00 0.00 0.00 56.01 55.86 3ksb n LEU 542 Cb 0.51 -0.40 -0.15 0.00 0.00 0.00 0.00 43.42 43.39 3ksb n LEU 542 CO 0.49 0.47 -0.51 -0.31 0.00 0.00 0.00 177.39 177.53 3ksb s TYR 543 N -2.24 2.52 -0.09 1.96 2.02 -0.85 0.00 117.35 120.68 3ksb s TYR 543 Ca -0.17 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.18 3ksb s TYR 543 Cb 0.06 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 40.04 3ksb s TYR 543 CO 0.25 0.02 -0.16 0.15 -1.57 0.00 0.00 175.55 174.24 3ksb s LYS 544 N -0.54 2.17 -0.03 -0.62 3.01 -0.04 -0.66 119.74 123.03 3ksb s LYS 544 Ca 0.07 -0.56 0.07 0.00 -1.01 0.00 0.00 55.97 54.54 3ksb s LYS 544 Cb -0.11 -1.77 -0.02 0.00 -1.01 0.00 0.00 37.83 34.92 3ksb s LYS 544 CO 0.01 0.03 -0.24 -1.64 0.51 0.00 0.00 175.35 174.01 3ksb s MET 545 N 0.72 2.21 -0.01 1.68 1.00 -0.84 -0.69 119.30 123.37 3ksb s MET 545 Ca -0.13 -0.89 0.00 0.00 0.00 0.00 0.00 55.69 54.68 3ksb s MET 545 Cb -0.16 -2.10 0.01 0.00 0.00 0.00 0.00 34.83 32.58 3ksb s MET 545 CO 0.03 0.55 -0.01 -1.54 0.00 0.00 0.00 175.02 174.05 3ksb s SER 546 N -0.59 0.25 -0.31 3.03 1.04 -0.25 -1.47 113.70 115.40 3ksb s SER 546 Ca 0.09 -0.02 0.09 0.00 0.48 0.00 0.00 55.95 56.59 3ksb s SER 546 Cb -0.10 -0.08 0.46 0.00 0.10 0.00 0.00 66.02 66.40 3ksb s SER 546 CO -0.00 -0.02 1.16 0.29 0.98 0.00 0.00 173.24 175.65 3ksb n LYS 547 N 3.43 3.29 0.00 4.02 5.02 -0.47 -1.06 118.16 132.38 3ksb n LYS 547 Ca -0.18 -4.11 0.00 0.00 -2.02 0.00 0.00 58.31 52.01 3ksb n LYS 547 Cb 0.56 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 3ksb n LYS 547 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3ksb n LYS 551 N -0.65 0.00 -3.50 1.97 -0.00 -1.26 -4.00 118.16 110.72 3ksb n LYS 551 Ca 0.38 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.31 3ksb n LYS 551 Cb 0.90 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 35.85 3ksb n LYS 551 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3ksb s LYS 552 N 0.00 4.09 0.04 -1.58 2.20 -1.26 -5.07 119.74 118.16 3ksb s LYS 552 Ca 0.00 -0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.61 3ksb s LYS 552 Cb 0.00 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 3ksb s LYS 552 CO 0.00 -0.06 -0.10 -2.00 -0.36 0.00 0.00 175.35 172.83 3ksb s GLU 553 N 1.39 0.68 -0.10 4.03 -6.30 -1.26 -5.14 118.70 111.99 3ksb s GLU 553 Ca 0.13 -0.68 0.03 0.00 -2.50 0.00 0.00 54.97 51.96 3ksb s GLU 553 Cb -0.15 -0.59 0.00 0.00 0.00 0.00 0.00 34.13 33.40 3ksb s GLU 553 CO 0.07 0.14 -0.21 -1.83 0.02 0.00 0.00 175.26 173.45 3ksb s GLU 554 N -1.20 2.69 -0.00 4.30 4.04 -1.26 -4.99 118.70 122.28 3ksb s GLU 554 Ca -0.03 -0.75 0.01 0.00 0.04 0.00 0.00 54.97 54.24 3ksb s GLU 554 Cb -0.08 -2.08 -0.00 0.00 0.02 0.00 0.00 34.13 31.98 3ksb s GLU 554 CO 0.01 0.11 -0.05 0.08 -1.84 0.00 0.00 175.26 173.57 3ksb s VAL 555 N 0.50 0.37 0.24 1.83 1.01 -1.26 -1.37 120.40 121.73 3ksb s VAL 555 Ca -0.16 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3ksb s VAL 555 Cb -0.17 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 3ksb s VAL 555 CO 0.06 0.10 -0.00 0.00 0.00 0.00 0.00 175.10 175.25 3ksb s ALA 556 N -0.13 1.91 -0.02 5.51 0.00 -0.54 -4.97 121.76 123.51 3ksb s ALA 556 Ca 0.02 -1.80 0.05 0.00 0.00 0.00 0.00 51.96 50.22 3ksb s ALA 556 Cb -0.02 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 3ksb s ALA 556 CO -0.00 -0.24 -0.16 0.71 0.00 0.00 0.00 175.76 176.07 3ksb s TYR 557 N -3.37 1.49 0.17 0.00 1.51 -1.26 -1.98 117.35 113.90 3ksb s TYR 557 Ca 0.29 -0.34 0.10 0.00 -1.01 0.00 0.00 57.07 56.12 3ksb s TYR 557 Cb 0.06 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 3ksb s TYR 557 CO 0.10 -0.07 -0.23 0.00 -1.11 0.00 0.00 175.55 174.23 3ksb s ALA 558 N -0.20 2.33 -0.08 3.71 0.00 0.17 -5.00 121.76 122.69 3ksb s ALA 558 Ca 0.02 -1.54 0.04 0.00 0.00 0.00 0.00 51.96 50.49 3ksb s ALA 558 Cb -0.08 -0.31 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 3ksb s ALA 558 CO 0.00 0.41 0.12 0.91 0.00 0.00 0.00 175.76 177.21 3ksb n TRP 559 N 0.49 0.00 -3.55 0.00 8.01 -1.26 -1.24 117.44 119.89 3ksb n TRP 559 Ca -0.15 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 55.96 3ksb n TRP 559 Cb 0.55 -0.06 -0.02 0.00 -2.01 0.00 0.00 31.31 29.78 3ksb n TRP 559 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3ksb s THR 560 N -1.92 0.00 0.26 -0.99 -1.32 -1.26 -4.66 115.64 105.76 3ksb s THR 560 Ca -0.00 -0.18 -0.01 0.00 -1.21 0.00 0.00 61.69 60.28 3ksb s THR 560 Cb 0.03 -1.25 0.38 0.00 -1.51 0.00 0.00 72.50 70.15 3ksb s THR 560 CO 0.17 0.00 1.36 0.47 -2.21 0.00 0.00 174.62 174.41 3ksb n ASP 561 N -0.33 -0.17 0.01 8.08 8.00 -1.26 -0.10 116.55 130.78 3ksb n ASP 561 Ca -0.10 1.48 -0.12 0.00 0.71 0.00 0.00 54.79 56.77 3ksb n ASP 561 Cb 0.62 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 3ksb n ASP 561 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3ksb h GLY 562 N 0.00 -0.60 -0.18 0.44 0.00 -2.03 -1.16 103.07 99.54 3ksb h GLY 562 Ca 0.49 0.46 0.27 0.00 0.00 0.00 0.00 47.33 48.56 3ksb h GLY 562 CO -0.84 -0.23 0.68 1.05 0.00 0.00 0.00 176.54 177.20 3ksb h GLU 563 N -0.47 0.36 -0.07 4.80 4.11 -0.92 -2.69 114.58 119.70 3ksb h GLU 563 Ca 0.08 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.50 3ksb h GLU 563 Cb 0.60 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3ksb h GLU 563 CO -0.36 0.24 -0.02 1.25 0.07 0.00 0.00 179.01 180.19 3ksb h LEU 564 N 0.38 -0.08 -0.42 3.06 5.85 -1.05 -2.92 115.31 120.14 3ksb h LEU 564 Ca 0.61 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.43 3ksb h LEU 564 Cb 1.56 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.57 3ksb h LEU 564 CO -0.30 -0.03 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.38 3ksb h GLU 565 N -0.01 0.05 -0.87 1.25 3.07 -1.50 0.89 114.58 117.46 3ksb h GLU 565 Ca 0.04 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 3ksb h GLU 565 Cb 0.06 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.92 3ksb h GLU 565 CO -0.08 0.03 0.46 1.05 -1.40 0.00 0.00 179.01 179.07 3ksb h GLU 566 N 0.05 1.23 -0.19 2.33 -0.00 -1.70 -0.65 114.58 115.64 3ksb h GLU 566 Ca 0.20 -0.16 0.00 0.00 -0.00 0.00 0.00 59.36 59.41 3ksb h GLU 566 Cb 0.31 -0.23 -0.01 0.00 -0.00 0.00 0.00 28.75 28.81 3ksb h GLU 566 CO -0.39 0.91 0.12 1.37 -0.00 0.00 0.00 179.01 181.03 3ksb h LEU 567 N 1.23 0.23 -0.31 3.06 -0.00 -0.96 -0.54 115.31 118.02 3ksb h LEU 567 Ca 0.30 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 3ksb h LEU 567 Cb 0.06 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 3ksb h LEU 567 CO -0.05 0.18 0.20 0.03 -0.00 0.00 0.00 178.44 178.81 3ksb h ARG 568 N 0.25 0.41 -0.67 0.17 2.47 -0.64 -0.85 114.38 115.52 3ksb h ARG 568 Ca 0.07 -0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.81 3ksb h ARG 568 Cb -0.01 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.17 3ksb h ARG 568 CO -0.01 0.27 0.40 0.87 0.56 0.00 0.00 179.97 182.06 3ksb h LYS 569 N 0.41 0.75 0.90 0.04 6.56 -0.99 -2.78 116.57 121.46 3ksb h LYS 569 Ca 0.11 -0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 59.61 3ksb h LYS 569 Cb -0.04 -0.17 0.01 0.00 -0.57 0.00 0.00 32.23 31.45 3ksb h LYS 569 CO -0.02 0.50 -0.46 -0.56 -2.06 0.00 0.00 179.45 176.84 3ksb h GLN 570 N 0.77 -1.20 0.00 3.15 -0.00 -0.72 -3.02 115.11 114.09 3ksb h GLN 570 Ca 0.28 0.08 0.00 0.00 -0.00 0.00 0.00 58.65 59.01 3ksb h GLN 570 Cb 0.08 0.27 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 3ksb h GLN 570 CO -0.13 -0.80 0.01 1.19 -0.00 0.00 0.00 178.83 179.10 3ksb n PHE 571 N -5.44 0.00 0.00 0.06 3.01 -0.36 -4.94 117.46 109.80 3ksb n PHE 571 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 3ksb n PHE 571 Cb 0.50 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 3ksb n PHE 571 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ksb n GLY 572 N -1.31 0.00 3.29 1.37 0.00 -1.06 -4.52 105.19 102.96 3ksb n GLY 572 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ksb n GLY 572 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ksb n LYS 573 N 0.00 -0.82 0.00 1.61 0.00 -1.26 -3.63 118.16 114.06 3ksb n LYS 573 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 3ksb n LYS 573 Cb 0.00 -1.65 0.00 0.00 -0.00 0.00 0.00 35.03 33.38 3ksb n LYS 573 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ksb n GLY 574 N 2.04 2.75 3.72 2.58 0.00 -1.26 -4.99 105.19 110.03 3ksb n GLY 574 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3ksb n GLY 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksb s ALA 575 N -2.81 2.08 -0.07 4.61 0.00 -1.24 -4.79 121.76 119.54 3ksb s ALA 575 Ca 0.00 0.87 0.04 0.00 0.00 0.00 0.00 51.96 52.87 3ksb s ALA 575 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3ksb s ALA 575 CO 0.00 -1.94 -0.20 0.95 0.00 0.00 0.00 175.76 174.57 3ksb s THR 576 N -2.02 1.69 -0.13 0.00 -4.23 -0.23 -4.94 115.64 105.78 3ksb s THR 576 Ca 0.74 -0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 60.41 3ksb s THR 576 Cb -0.29 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 3ksb s THR 576 CO 0.46 0.48 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.70 3ksb s LEU 577 N 0.25 2.91 -0.04 4.79 2.96 -1.26 -1.09 118.68 127.20 3ksb s LEU 577 Ca -0.12 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 3ksb s LEU 577 Cb -0.15 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 3ksb s LEU 577 CO 0.05 0.19 -0.23 -1.58 -1.32 0.00 0.00 176.35 173.47 3ksb s GLN 578 N 0.21 2.33 -0.10 1.98 0.74 0.13 -4.97 119.66 119.98 3ksb s GLN 578 Ca -0.06 -0.86 0.01 0.00 0.05 0.00 0.00 55.36 54.49 3ksb s GLN 578 Cb -0.15 -2.16 0.02 0.00 1.10 0.00 0.00 33.01 31.82 3ksb s GLN 578 CO 0.04 0.53 -0.11 0.50 -0.55 0.00 0.00 175.29 175.70 3ksb s ARG 579 N -0.51 1.72 -0.69 1.67 3.52 -1.26 -0.86 118.95 122.54 3ksb s ARG 579 Ca 0.07 -0.37 -0.25 0.00 -0.13 0.00 0.00 55.73 55.06 3ksb s ARG 579 Cb -0.11 -1.60 0.05 0.00 -1.56 0.00 0.00 34.95 31.73 3ksb s ARG 579 CO 0.01 -0.14 1.10 0.71 -0.81 0.00 0.00 175.30 176.16 3ksb s TYR 580 N 1.26 2.51 -0.79 5.12 2.02 0.10 -4.84 117.35 122.73 3ksb s TYR 580 Ca -0.03 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 3ksb s TYR 580 Cb -0.14 -4.43 0.00 0.00 -0.40 0.00 0.00 41.96 36.99 3ksb s TYR 580 CO -0.04 -1.83 0.43 0.36 -1.57 0.00 0.00 175.55 172.90 3ksb n LYS 581 N 8.42 0.70 0.00 -0.62 2.85 -1.26 -4.62 118.16 123.64 3ksb n LYS 581 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 3ksb n LYS 581 Cb 0.47 -1.31 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 3ksb n LYS 581 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ksb n GLY 582 N 0.25 4.36 0.33 2.58 0.00 -1.26 -5.01 105.19 106.45 3ksb n GLY 582 Ca 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 46.02 44.86 3ksb n GLY 582 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ksb h LEU 583 N 0.00 0.81 0.00 0.99 3.38 -1.92 -2.16 115.31 116.41 3ksb h LEU 583 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ksb h LEU 583 Cb 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3ksb h LEU 583 CO 0.00 0.66 0.04 0.61 0.09 0.00 0.00 178.44 179.84 3ksb n GLY 584 N -1.22 -0.25 0.04 0.83 0.00 -1.26 -1.61 105.19 101.71 3ksb n GLY 584 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3ksb n GLY 584 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ksb n GLU 585 N -1.22 0.48 -2.73 1.61 2.13 -0.81 -4.90 120.64 115.20 3ksb n GLU 585 Ca 0.00 -0.05 -0.20 0.00 0.66 0.00 0.00 57.16 57.57 3ksb n GLU 585 Cb 0.04 -1.62 0.04 0.00 0.27 0.00 0.00 31.44 30.18 3ksb n GLU 585 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ksb s MET 586 N -3.34 2.53 0.35 5.31 0.23 -0.64 -5.04 119.30 118.71 3ksb s MET 586 Ca -0.01 -0.94 0.04 0.00 -1.03 0.00 0.00 55.69 53.75 3ksb s MET 586 Cb 0.13 -2.54 0.06 0.00 -1.53 0.00 0.00 34.83 30.95 3ksb s MET 586 CO 0.84 -0.67 0.48 0.09 -2.03 0.00 0.00 175.02 173.73 3ksb n ASN 587 N -2.27 1.09 -0.02 -1.18 3.02 -1.26 -4.94 115.26 109.71 3ksb n ASN 587 Ca 0.09 -1.82 -0.13 0.00 -0.03 0.00 0.00 54.58 52.69 3ksb n ASN 587 Cb 0.60 -0.27 -0.10 0.00 -0.61 0.00 0.00 39.78 39.39 3ksb n ASN 587 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ksb h ALA 588 N 0.08 -0.01 -0.42 5.41 0.00 -1.96 -2.22 119.26 120.14 3ksb h ALA 588 Ca -0.16 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.54 3ksb h ALA 588 Cb 0.71 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 3ksb h ALA 588 CO 0.22 -0.22 0.01 0.38 0.00 0.00 0.00 179.25 179.64 3ksb h ASP 589 N -0.59 -0.15 0.73 0.00 3.04 -1.95 -2.36 116.42 115.13 3ksb h ASP 589 Ca -0.00 0.09 -0.04 0.00 -3.24 0.00 0.00 57.03 53.85 3ksb h ASP 589 Cb 0.57 0.16 0.01 0.00 -1.04 0.00 0.00 39.33 39.03 3ksb h ASP 589 CO 0.00 -0.04 -0.35 1.56 -2.04 0.00 0.00 179.24 178.37 3ksb h GLN 590 N 0.12 -0.94 -0.69 4.15 4.20 -1.94 -0.84 115.11 119.17 3ksb h GLN 590 Ca 0.21 0.06 0.09 0.00 0.06 0.00 0.00 58.65 59.08 3ksb h GLN 590 Cb 0.29 0.21 -0.07 0.00 0.30 0.00 0.00 27.48 28.22 3ksb h GLN 590 CO -0.34 -0.63 0.33 1.25 -0.67 0.00 0.00 178.83 178.77 3ksb h LEU 591 N -0.98 0.41 0.30 1.46 6.46 -1.21 0.88 115.31 122.63 3ksb h LEU 591 Ca -0.10 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 3ksb h LEU 591 Cb 0.75 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.68 3ksb h LEU 591 CO 0.16 0.23 -0.14 -0.25 -0.62 0.00 0.00 178.44 177.82 3ksb h TRP 592 N 0.56 -0.38 -0.96 1.25 2.91 -1.39 0.67 115.95 118.61 3ksb h TRP 592 Ca 0.34 -0.01 0.19 0.00 1.13 0.00 0.00 58.89 60.55 3ksb h TRP 592 Cb 0.38 0.12 -0.09 0.00 -0.51 0.00 0.00 29.16 29.07 3ksb h TRP 592 CO -0.12 -0.23 0.61 0.93 -1.03 0.00 0.00 178.44 178.60 3ksb h GLU 593 N -0.41 0.59 0.00 2.65 4.39 -0.48 -2.12 114.58 119.20 3ksb h GLU 593 Ca -0.04 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 3ksb h GLU 593 Cb 0.31 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3ksb h GLU 593 CO 0.07 0.39 -0.44 1.79 -1.16 0.00 0.00 179.01 179.66 3ksb h THR 594 N 0.61 1.34 0.00 1.13 1.35 -0.92 -3.43 112.91 112.99 3ksb h THR 594 Ca 0.52 -2.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 3ksb h THR 594 Cb 1.01 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 3ksb h THR 594 CO -0.28 0.46 -0.24 0.35 -0.25 0.00 0.00 175.52 175.57 3ksb n THR 595 N -4.56 0.54 0.00 6.82 -2.24 0.20 -4.39 114.28 110.65 3ksb n THR 595 Ca -0.17 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 3ksb n THR 595 Cb 0.51 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3ksb n THR 595 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3ksb n MET 596 N -0.38 0.00 -1.53 -0.78 2.00 -0.84 -4.82 117.12 110.78 3ksb n MET 596 Ca 0.04 0.00 -0.48 0.00 0.00 0.00 0.00 57.70 57.26 3ksb n MET 596 Cb 0.60 -0.32 -0.05 0.00 0.00 0.00 0.00 33.22 33.45 3ksb n MET 596 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3ksb n ASN 597 N -2.47 2.67 0.13 7.83 5.15 -1.02 -4.84 115.26 122.70 3ksb n ASN 597 Ca 0.00 0.40 0.19 0.00 -0.60 0.00 0.00 54.58 54.57 3ksb n ASN 597 Cb 0.19 -1.38 0.77 0.00 -0.53 0.00 0.00 39.78 38.84 3ksb n ASN 597 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3ksb h PRO 598 N 12.94 0.00 -0.54 1.20 0.11 -1.92 0.20 132.00 143.99 3ksb h PRO 598 Ca -0.34 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 3ksb h PRO 598 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 3ksb h PRO 598 CO 0.99 0.00 0.23 0.93 -0.21 0.00 0.00 178.00 179.94 3ksb h GLU 599 N 0.00 0.80 -0.00 1.05 3.07 -1.99 -3.34 114.58 114.17 3ksb h GLU 599 Ca 0.15 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3ksb h GLU 599 Cb 0.78 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3ksb h GLU 599 CO -0.00 0.69 -0.00 0.25 -1.40 0.00 0.00 179.01 178.55 3ksb n THR 600 N -4.53 0.00 -1.76 1.13 -2.24 -0.81 -5.04 114.28 101.04 3ksb n THR 600 Ca 0.03 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 61.01 3ksb n THR 600 Cb 0.15 1.00 0.08 0.00 -2.10 0.00 0.00 70.33 69.46 3ksb n THR 600 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ksb s ARG 601 N -0.42 2.30 -0.02 -0.78 1.70 0.64 -4.92 118.95 117.46 3ksb s ARG 601 Ca 0.00 0.43 0.01 0.00 -0.47 0.00 0.00 55.73 55.70 3ksb s ARG 601 Cb 0.00 -1.96 0.02 0.00 -0.57 0.00 0.00 34.95 32.44 3ksb s ARG 601 CO 0.00 -1.42 -0.02 -0.08 -1.08 0.00 0.00 175.30 172.70 3ksb s THR 602 N -3.34 0.28 0.32 4.99 -1.32 -1.26 -4.92 115.64 110.39 3ksb s THR 602 Ca 0.60 -0.04 0.09 0.00 -1.21 0.00 0.00 61.69 61.13 3ksb s THR 602 Cb -0.12 -0.32 -0.05 0.00 -1.51 0.00 0.00 72.50 70.50 3ksb s THR 602 CO 0.52 0.14 0.03 -0.76 -2.21 0.00 0.00 174.62 172.33 3ksb s LEU 603 N 0.60 3.08 -0.07 9.08 1.43 -1.26 -4.22 118.68 127.32 3ksb s LEU 603 Ca -0.06 -0.85 0.02 0.00 -1.03 0.00 0.00 54.13 52.20 3ksb s LEU 603 Cb -0.10 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3ksb s LEU 603 CO -0.01 -0.18 -0.12 -0.63 0.23 0.00 0.00 176.35 175.65 3ksb s ILE 604 N -2.45 3.24 -0.16 -0.59 1.01 0.20 -4.97 121.20 117.48 3ksb s ILE 604 Ca 0.34 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 3ksb s ILE 604 Cb -0.03 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 3ksb s ILE 604 CO 0.20 0.58 -0.10 -0.60 0.00 0.00 0.00 174.94 175.02 3ksb s ARG 605 N -0.56 3.41 -0.29 2.79 3.52 -1.26 -0.78 118.95 125.79 3ksb s ARG 605 Ca 0.08 -0.65 -0.10 0.00 -0.13 0.00 0.00 55.73 54.93 3ksb s ARG 605 Cb -0.12 -2.77 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 3ksb s ARG 605 CO 0.02 0.10 0.15 0.08 -0.81 0.00 0.00 175.30 174.84 3ksb s VAL 606 N 0.67 4.85 0.15 7.11 1.01 -0.67 -5.00 120.40 128.52 3ksb s VAL 606 Ca -0.05 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.88 3ksb s VAL 606 Cb -0.15 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3ksb s VAL 606 CO 0.02 0.20 -0.15 0.42 0.00 0.00 0.00 175.10 175.60 3ksb s THR 607 N 1.68 1.50 -0.12 3.92 -4.23 -1.26 -4.61 115.64 112.52 3ksb s THR 607 Ca 0.06 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.69 3ksb s THR 607 Cb -0.16 -1.74 -0.01 0.00 1.34 0.00 0.00 72.50 71.94 3ksb s THR 607 CO 0.08 -0.46 -0.18 -0.51 -0.54 0.00 0.00 174.62 173.00 3ksb s ILE 608 N -2.41 2.55 -0.86 2.99 1.10 -1.26 -5.00 121.20 118.31 3ksb s ILE 608 Ca 0.14 -0.84 0.10 0.00 -0.51 0.00 0.00 60.65 59.53 3ksb s ILE 608 Cb -0.03 -2.03 -0.01 0.00 0.15 0.00 0.00 42.46 40.54 3ksb s ILE 608 CO 0.04 0.54 0.61 -1.84 -2.11 0.00 0.00 174.94 172.18 3ksb n GLU 609 N 3.56 2.18 -2.58 3.50 0.28 -1.26 -4.90 120.64 121.43 3ksb n GLU 609 Ca -0.19 -0.56 -0.06 0.00 -0.16 0.00 0.00 57.16 56.19 3ksb n GLU 609 Cb 0.53 -1.06 -0.02 0.00 1.43 0.00 0.00 31.44 32.32 3ksb n GLU 609 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3ksb n ASP 610 N -0.30 1.34 0.00 -1.84 10.43 -1.26 -5.04 116.55 119.87 3ksb n ASP 610 Ca 0.04 -1.51 0.00 0.00 2.57 0.00 0.00 54.79 55.89 3ksb n ASP 610 Cb 0.20 0.20 0.00 0.00 1.84 0.00 0.00 41.12 43.36 3ksb n ASP 610 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3ksb n LEU 611 N 0.00 2.57 0.08 0.64 7.94 -1.26 -4.61 117.00 122.36 3ksb n LEU 611 Ca -0.02 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.76 3ksb n LEU 611 Cb 0.14 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.05 3ksb n LEU 611 CO 0.08 0.43 0.72 0.00 -1.11 0.00 0.00 177.39 177.51 3ksb h ALA 612 N 0.00 -0.30 -0.52 1.96 0.00 -1.99 0.17 119.26 118.57 3ksb h ALA 612 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ksb h ALA 612 Cb 0.98 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3ksb h ALA 612 CO 0.00 -0.72 0.32 0.07 0.00 0.00 0.00 179.25 178.92 3ksb h ARG 613 N -0.36 0.61 0.49 0.00 0.11 -1.97 -0.10 114.38 113.16 3ksb h ARG 613 Ca 0.05 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.08 3ksb h ARG 613 Cb 0.41 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.33 3ksb h ARG 613 CO -0.16 0.41 -0.51 0.00 0.10 0.00 0.00 179.97 179.80 3ksb h ALA 614 N 1.23 -1.14 -0.43 0.08 0.00 -1.63 0.54 119.26 117.91 3ksb h ALA 614 Ca 0.21 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3ksb h ALA 614 Cb 0.01 0.74 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 3ksb h ALA 614 CO -0.09 -1.18 -0.07 1.49 0.00 0.00 0.00 179.25 179.40 3ksb h GLU 615 N -1.00 0.04 -0.07 0.00 4.57 -0.55 0.86 114.58 118.43 3ksb h GLU 615 Ca -0.06 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 3ksb h GLU 615 Cb 0.88 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.41 3ksb h GLU 615 CO -0.07 0.03 -0.24 0.00 -1.18 0.00 0.00 179.01 177.54 3ksb h ARG 616 N 0.04 -0.32 0.33 1.92 -0.00 -0.69 -0.40 114.38 115.25 3ksb h ARG 616 Ca 0.21 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.69 3ksb h ARG 616 Cb 0.31 0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.36 3ksb h ARG 616 CO -0.41 -0.22 -0.16 -0.09 0.00 0.00 0.00 179.97 179.10 3ksb h ARG 617 N -0.34 -0.42 -0.69 0.04 2.43 -0.19 -2.75 114.38 112.46 3ksb h ARG 617 Ca 0.08 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 3ksb h ARG 617 Cb 0.45 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 3ksb h ARG 617 CO -0.26 -0.19 0.37 0.28 -1.51 0.00 0.00 179.97 178.67 3ksb h VAL 618 N -0.59 0.92 -0.36 0.20 2.07 -0.69 -1.58 116.25 116.23 3ksb h VAL 618 Ca -0.04 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3ksb h VAL 618 Cb 0.43 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3ksb h VAL 618 CO 0.07 0.12 0.19 0.78 0.02 0.00 0.00 177.57 178.75 3ksb h ASN 619 N 0.67 0.43 0.20 0.57 2.35 -1.03 0.30 115.58 119.07 3ksb h ASN 619 Ca 0.32 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 3ksb h ASN 619 Cb 0.26 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3ksb h ASN 619 CO -0.21 0.36 -0.10 0.58 -1.65 0.00 0.00 177.43 176.41 3ksb h VAL 620 N 0.49 0.00 0.03 2.81 2.07 -1.01 -1.34 116.25 119.30 3ksb h VAL 620 Ca 0.13 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3ksb h VAL 620 Cb 0.03 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 3ksb h VAL 620 CO -0.02 0.00 -0.02 -0.07 0.02 0.00 0.00 177.57 177.48 3ksb h LEU 621 N -0.49 -0.07 -0.25 2.57 3.38 -1.34 -3.06 115.31 116.06 3ksb h LEU 621 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ksb h LEU 621 Cb 0.21 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ksb h LEU 621 CO 0.05 -0.03 0.00 0.23 0.09 0.00 0.00 178.44 178.77 3ksb n MET 622 N -2.39 0.16 0.00 1.13 2.81 0.06 -4.89 117.12 113.99 3ksb n MET 622 Ca -0.01 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 3ksb n MET 622 Cb 0.02 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 30.80 3ksb n MET 622 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ksb n GLY 623 N 0.68 -2.60 0.00 3.03 0.00 -0.50 -4.58 105.19 101.22 3ksb n GLY 623 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3ksb n GLY 623 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ksb n ASP 624 N -0.21 0.72 -0.00 1.61 9.92 -1.26 -4.83 116.55 122.50 3ksb n ASP 624 Ca 0.00 -0.91 -0.15 0.00 -0.53 0.00 0.00 54.79 53.20 3ksb n ASP 624 Cb 0.00 0.13 -0.14 0.00 -0.64 0.00 0.00 41.12 40.47 3ksb n ASP 624 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 3ksb h LYS 625 N 0.00 0.13 0.00 -1.24 5.09 -1.88 -3.48 116.57 115.20 3ksb h LYS 625 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 60.65 60.51 3ksb h LYS 625 Cb 0.07 0.09 0.00 0.00 0.10 0.00 0.00 32.23 32.48 3ksb h LYS 625 CO 0.00 0.86 0.00 0.28 -2.09 0.00 0.00 179.45 178.50 3ksb n VAL 626 N -3.27 0.00 -0.28 0.07 0.31 -1.26 -4.62 118.33 109.29 3ksb n VAL 626 Ca -0.24 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.20 3ksb n VAL 626 Cb 1.05 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 34.18 3ksb n VAL 626 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ksb n GLU 627 N 0.00 -0.07 0.02 5.55 -0.58 -1.26 -1.30 120.64 123.01 3ksb n GLU 627 Ca 0.00 1.22 -0.21 0.00 -0.42 0.00 0.00 57.16 57.75 3ksb n GLU 627 Cb 0.00 -1.90 -0.14 0.00 -0.57 0.00 0.00 31.44 28.83 3ksb n GLU 627 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3ksb h PRO 628 N 0.00 0.27 -0.91 3.49 0.11 -1.95 -3.28 132.00 129.73 3ksb h PRO 628 Ca 0.46 -0.45 0.17 0.00 0.11 0.00 0.00 66.00 66.28 3ksb h PRO 628 Cb 0.89 0.17 -0.16 0.00 0.11 0.00 0.00 31.00 32.01 3ksb h PRO 628 CO -0.77 1.22 -0.29 -0.09 -0.21 0.00 0.00 178.00 177.86 3ksb h ARG 629 N -0.34 -0.02 -0.12 1.05 2.43 -1.54 0.31 114.38 116.16 3ksb h ARG 629 Ca -0.24 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.98 3ksb h ARG 629 Cb 1.71 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.21 3ksb h ARG 629 CO 0.09 -0.01 -0.29 -0.09 -1.51 0.00 0.00 179.97 178.16 3ksb h ARG 630 N -0.02 -0.35 -0.45 0.20 2.43 -1.31 -0.83 114.38 114.05 3ksb h ARG 630 Ca 0.39 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.61 3ksb h ARG 630 Cb 0.64 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3ksb h ARG 630 CO -0.93 -0.23 0.30 0.87 -1.51 0.00 0.00 179.97 178.46 3ksb h LYS 631 N -0.36 0.50 -0.11 0.20 1.57 -0.73 0.81 116.57 118.44 3ksb h LYS 631 Ca 0.10 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3ksb h LYS 631 Cb 0.51 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3ksb h LYS 631 CO -0.33 0.33 0.06 2.35 -0.57 0.00 0.00 179.45 181.29 3ksb h TRP 632 N 0.51 0.16 0.09 -1.35 7.01 0.69 -0.24 115.95 122.82 3ksb h TRP 632 Ca 0.18 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.19 3ksb h TRP 632 Cb 0.08 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 3ksb h TRP 632 CO -0.00 0.20 -0.19 0.82 -2.79 0.00 0.00 178.44 176.47 3ksb h ILE 633 N 0.08 0.56 -0.14 2.65 5.03 0.09 -0.08 117.51 125.70 3ksb h ILE 633 Ca 0.04 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.83 3ksb h ILE 633 Cb 0.09 0.56 -0.06 0.00 -3.03 0.00 0.00 36.82 34.38 3ksb h ILE 633 CO -0.01 0.00 -0.28 -0.33 -0.68 0.00 0.00 178.15 176.85 3ksb h GLU 634 N -0.36 -0.34 0.00 2.37 5.08 -0.64 0.36 114.58 121.05 3ksb h GLU 634 Ca 0.03 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ksb h GLU 634 Cb 0.39 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3ksb h GLU 634 CO -0.12 -0.23 0.00 0.38 -1.00 0.00 0.00 179.01 178.05 3ksb h ASP 635 N -0.35 0.00 0.00 1.42 2.03 -0.99 -3.39 116.42 115.14 3ksb h ASP 635 Ca 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 3ksb h ASP 635 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 3ksb h ASP 635 CO -0.34 0.00 -0.65 0.59 -1.03 0.00 0.00 179.24 177.81 3ksb n ASN 636 N -2.36 3.24 -4.60 4.15 3.02 -0.05 -4.98 115.26 113.69 3ksb n ASN 636 Ca 0.04 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 3ksb n ASN 636 Cb 0.35 0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 39.84 3ksb n ASN 636 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ksb s VAL 637 N -1.62 4.05 -0.70 2.41 1.01 0.12 -4.97 120.40 120.69 3ksb s VAL 637 Ca 0.00 1.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.78 3ksb s VAL 637 Cb 0.00 -4.41 0.01 0.00 0.00 0.00 0.00 36.38 31.98 3ksb s VAL 637 CO 0.00 -0.90 1.55 -1.59 0.00 0.00 0.00 175.10 174.17 3ksb s LYS 638 N 4.72 2.95 -0.02 2.72 0.00 -1.26 -4.80 119.74 124.05 3ksb s LYS 638 Ca 0.55 0.08 0.01 0.00 0.00 0.00 0.00 55.97 56.60 3ksb s LYS 638 Cb -0.10 -4.35 0.06 0.00 0.00 0.00 0.00 37.83 33.44 3ksb s LYS 638 CO 0.32 -2.44 0.66 1.19 0.00 0.00 0.00 175.35 175.09 3ksb n PHE 639 N 10.93 0.16 0.00 1.78 3.72 -1.26 -5.26 117.46 127.54 3ksb n PHE 639 Ca 0.13 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3ksb n PHE 639 Cb 0.50 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 3ksb n PHE 639 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34