#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 3.98 -0.68 -5.58 2.96 -1.26 -4.63 118.68 113.47 3ksb s LEU 416 Ca 0.00 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3ksb s LEU 416 Cb 0.00 -2.56 0.17 0.00 0.50 0.00 0.00 46.19 44.30 3ksb s LEU 416 CO 0.00 0.03 0.50 -0.89 -1.32 0.00 0.00 176.35 174.67 3ksb s THR 417 N -1.83 3.63 0.64 3.68 2.01 -0.25 -4.98 115.64 118.53 3ksb s THR 417 Ca 0.32 -3.34 -0.11 0.00 0.31 0.00 0.00 61.69 58.87 3ksb s THR 417 Cb -0.10 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 3ksb s THR 417 CO 0.25 -0.93 1.04 -2.84 -0.69 0.00 0.00 174.62 171.46 3ksb s PRO 418 N -0.52 3.41 0.85 4.92 0.02 -1.26 -1.17 135.00 141.25 3ksb s PRO 418 Ca 0.20 0.80 -0.12 0.00 0.02 0.00 0.00 61.00 61.90 3ksb s PRO 418 Cb -0.17 -2.05 0.10 0.00 0.02 0.00 0.00 34.50 32.40 3ksb s PRO 418 CO -0.06 -0.72 1.16 0.00 -0.33 0.00 0.00 177.00 177.06 3ksb s ALA 419 N -3.14 2.34 0.00 -1.55 0.00 -1.26 -4.86 121.76 113.29 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 0.54 -1.89 0.60 0.94 0.00 0.00 0.00 175.76 175.95 3ksb n GLN 420 N -3.48 0.00 -2.09 0.00 -0.06 0.14 -4.75 117.38 107.15 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 25.49 3ksb n GLN 420 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 3ksb s SER 421 N -2.30 6.74 -0.86 1.69 0.01 -1.14 -4.97 113.70 112.87 3ksb s SER 421 Ca 0.00 2.70 -0.06 0.00 1.31 0.00 0.00 55.95 59.89 3ksb s SER 421 Cb 0.00 -2.65 0.22 0.00 0.21 0.00 0.00 66.02 63.80 3ksb s SER 421 CO 0.00 -0.57 0.76 -0.54 0.41 0.00 0.00 173.24 173.30 3ksb s LYS 422 N -1.57 3.36 -0.23 12.44 3.01 -1.26 -4.85 119.74 130.64 3ksb s LYS 422 Ca 0.51 -2.90 -0.02 0.00 -1.01 0.00 0.00 55.97 52.54 3ksb s LYS 422 Cb -0.40 -4.13 0.07 0.00 -1.01 0.00 0.00 37.83 32.36 3ksb s LYS 422 CO 0.52 -1.24 0.06 1.21 0.51 0.00 0.00 175.35 176.40 3ksb s ASN 423 N 0.87 3.28 0.00 2.83 2.47 -1.26 -5.01 114.94 118.12 3ksb s ASN 423 Ca 0.23 -1.09 0.00 0.00 0.42 0.00 0.00 52.86 52.43 3ksb s ASN 423 Cb -0.12 -0.64 0.00 0.00 -1.45 0.00 0.00 41.25 39.04 3ksb s ASN 423 CO -0.08 -0.35 0.65 -2.65 -3.72 0.00 0.00 177.10 170.95 3ksb n PRO 424 N 5.02 0.65 -0.10 0.43 -0.02 -1.26 -3.17 135.00 136.55 3ksb n PRO 424 Ca -0.07 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.30 3ksb n PRO 424 Cb 0.45 -1.00 -0.15 0.00 -0.02 0.00 0.00 33.50 32.78 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 -0.49 1.48 -2.91 3.55 0.00 -1.26 -3.55 120.51 117.33 3ksb n ALA 425 Ca 0.00 -1.24 -0.13 0.00 0.00 0.00 0.00 53.44 52.07 3ksb n ALA 425 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.87 0.68 -3.81 0.00 4.81 -1.19 -4.69 118.16 111.08 3ksb n LYS 426 Ca -0.34 -2.25 -0.12 0.00 -0.87 0.00 0.00 58.31 54.73 3ksb n LYS 426 Cb 1.12 -1.42 -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 -1.01 -0.17 0.11 3.14 0.01 -1.21 -4.79 114.94 111.03 3ksb s ASN 427 Ca 0.32 0.27 0.10 0.00 -0.71 0.00 0.00 52.86 52.85 3ksb s ASN 427 Cb 0.16 0.38 -0.04 0.00 0.41 0.00 0.00 41.25 42.16 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 -0.30 1.54 -0.20 -0.60 2.02 -0.97 -2.26 118.70 117.92 3ksb s GLU 428 Ca -0.04 -1.28 -0.04 0.00 0.02 0.00 0.00 54.97 53.64 3ksb s GLU 428 Cb -0.03 -1.95 -0.01 0.00 0.10 0.00 0.00 34.13 32.23 3ksb s GLU 428 CO 0.01 0.47 -0.04 -1.17 0.02 0.00 0.00 175.26 174.54 3ksb s LEU 429 N -1.92 2.96 -0.28 1.80 0.20 -0.14 -0.81 118.68 120.48 3ksb s LEU 429 Ca 0.14 -0.33 -0.07 0.00 0.69 0.00 0.00 54.13 54.57 3ksb s LEU 429 Cb -0.10 -1.74 0.00 0.00 -0.43 0.00 0.00 46.19 43.92 3ksb s LEU 429 CO 0.06 0.03 0.07 -0.31 -0.29 0.00 0.00 176.35 175.91 3ksb s TYR 430 N 1.18 3.12 -0.20 5.38 2.02 0.57 -0.27 117.35 129.15 3ksb s TYR 430 Ca 0.02 -0.90 -0.10 0.00 -0.37 0.00 0.00 57.07 55.72 3ksb s TYR 430 Cb -0.14 -2.24 -0.05 0.00 -0.40 0.00 0.00 41.96 39.13 3ksb s TYR 430 CO -0.01 -0.54 0.14 -0.51 -1.57 0.00 0.00 175.55 173.06 3ksb s LEU 431 N 1.51 4.22 0.21 -1.29 1.43 -0.01 -1.06 118.68 123.69 3ksb s LEU 431 Ca 0.03 0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.44 3ksb s LEU 431 Cb -0.17 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 3ksb s LEU 431 CO 0.02 0.18 -0.05 -0.69 0.23 0.00 0.00 176.35 176.03 3ksb s VAL 432 N 0.35 1.23 -0.75 -1.59 1.01 -0.82 -0.85 120.40 118.98 3ksb s VAL 432 Ca 0.09 -2.07 0.25 0.00 0.00 0.00 0.00 61.98 60.25 3ksb s VAL 432 Cb -0.11 -2.19 0.11 0.00 0.00 0.00 0.00 36.38 34.20 3ksb s VAL 432 CO -0.01 -0.47 1.50 1.21 0.00 0.00 0.00 175.10 177.33 3ksb n GLU 433 N -0.37 0.21 0.00 2.72 2.13 -1.26 -1.04 120.64 123.04 3ksb n GLU 433 Ca -0.07 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3ksb n GLU 433 Cb 0.63 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.67 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 1.37 -0.36 0.12 8.31 0.00 -1.05 -1.95 105.19 111.64 3ksb n GLY 434 Ca 0.04 -1.09 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 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 0.31 116.42 119.38 3ksb h ASP 435 Ca 0.00 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.14 3ksb h ASP 435 Cb 0.00 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3ksb h ASP 435 CO 0.00 -0.02 0.03 -1.28 -1.72 0.00 0.00 179.24 176.25 3ksb h SER 436 N 0.07 -0.02 -0.51 6.45 0.87 -1.98 -0.31 113.55 118.12 3ksb h SER 436 Ca 0.12 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 3ksb h SER 436 Cb 0.16 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3ksb h SER 436 CO -0.21 0.02 0.16 0.00 -0.53 0.00 0.00 176.83 176.27 3ksb h ALA 437 N 1.19 0.67 -0.56 6.23 0.00 -1.86 -2.85 119.26 122.08 3ksb h ALA 437 Ca 0.11 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.98 3ksb h ALA 437 Cb 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ksb h ALA 437 CO -0.16 0.33 0.39 0.78 0.00 0.00 0.00 179.25 180.59 3ksb h GLY 438 N 0.70 0.14 1.01 0.00 0.00 0.58 -1.93 103.07 103.56 3ksb h GLY 438 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 3ksb h GLY 438 CO -0.00 0.01 -0.31 -1.33 0.00 0.00 0.00 176.54 174.91 3ksb h GLY 439 N 0.09 -0.91 0.96 4.60 0.00 -0.84 0.41 103.07 107.38 3ksb h GLY 439 Ca 0.27 0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.99 3ksb h GLY 439 CO -0.02 -0.33 0.53 1.76 0.00 0.00 0.00 176.54 178.48 3ksb h SER 440 N -0.88 0.79 0.59 0.19 0.02 -1.50 -0.81 113.55 111.95 3ksb h SER 440 Ca -0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 3ksb h SER 440 Cb 0.67 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3ksb h SER 440 CO 0.15 0.51 -0.51 0.00 -1.14 0.00 0.00 176.83 175.84 3ksb h ALA 441 N 1.56 -1.20 -0.92 3.77 0.00 -0.96 -1.85 119.26 119.66 3ksb h ALA 441 Ca 0.35 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.15 3ksb h ALA 441 Cb 0.22 0.71 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 3ksb h ALA 441 CO -0.12 -1.21 0.56 1.57 0.00 0.00 0.00 179.25 180.05 3ksb h LYS 442 N -1.08 0.89 0.55 0.00 2.10 -0.44 -3.15 116.57 115.45 3ksb h LYS 442 Ca -0.08 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.49 3ksb h LYS 442 Cb 0.91 -0.20 0.01 0.00 -0.90 0.00 0.00 32.23 32.05 3ksb h LYS 442 CO -0.02 0.59 -0.27 1.96 -2.00 0.00 0.00 179.45 179.71 3ksb h GLN 443 N 0.91 -0.72 -4.92 0.07 4.20 -0.95 -3.37 115.11 110.35 3ksb h GLN 443 Ca 0.44 0.05 -0.70 0.00 0.06 0.00 0.00 58.65 58.50 3ksb h GLN 443 Cb 0.40 0.16 -0.18 0.00 0.30 0.00 0.00 27.48 28.16 3ksb h GLN 443 CO -0.25 -0.41 0.75 0.20 -0.67 0.00 0.00 178.83 178.45 3ksb s GLY 444 N -2.45 1.98 -0.28 3.46 0.00 -0.71 -4.94 107.32 104.39 3ksb s GLY 444 Ca -0.15 -2.79 -0.26 0.00 0.00 0.00 0.00 44.72 41.52 3ksb s GLY 444 CO 0.52 1.94 1.27 -1.60 0.00 0.00 0.00 173.10 175.23 3ksb s ARG 445 N 2.48 0.23 -0.80 2.90 3.52 -1.26 -4.41 118.95 121.61 3ksb s ARG 445 Ca 0.31 0.21 -0.22 0.00 -0.13 0.00 0.00 55.73 55.89 3ksb s ARG 445 Cb -0.06 0.11 0.07 0.00 -1.56 0.00 0.00 34.95 33.52 3ksb s ARG 445 CO -0.09 -0.04 1.14 0.34 -0.81 0.00 0.00 175.30 175.84 3ksb s ASP 446 N -0.21 6.34 0.00 -2.12 3.68 -1.26 -4.89 116.67 118.21 3ksb s ASP 446 Ca 0.06 -1.24 0.02 0.00 2.13 0.00 0.00 52.55 53.52 3ksb s ASP 446 Cb -0.04 -2.46 0.10 0.00 -1.45 0.00 0.00 42.92 39.07 3ksb s ASP 446 CO -0.10 -1.43 0.84 -2.11 0.13 0.00 0.00 175.17 172.50 3ksb n ARG 447 N 7.91 0.03 -0.04 4.34 1.85 -1.26 -2.29 116.66 127.21 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 0.22 -0.67 2.89 1.79 -1.95 0.40 116.57 119.24 3ksb h LYS 448 Ca 0.00 -0.03 -0.30 0.00 -2.18 0.00 0.00 60.65 58.13 3ksb h LYS 448 Cb 0.02 -0.04 -0.35 0.00 -1.58 0.00 0.00 32.23 30.28 3ksb h LYS 448 CO 0.00 0.28 -0.99 1.97 -1.08 0.00 0.00 179.45 179.63 3ksb n PHE 449 N -4.89 0.40 -3.62 -1.35 -1.74 -0.97 -2.89 117.46 102.39 3ksb n PHE 449 Ca -0.05 -2.47 -0.16 0.00 -0.56 0.00 0.00 57.45 54.21 3ksb n PHE 449 Cb 0.10 0.08 -0.14 0.00 1.52 0.00 0.00 39.48 41.04 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 -2.53 0.10 0.10 3.97 -0.21 -1.13 -2.30 119.66 117.66 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 0.42 -0.46 -0.04 0.00 1.00 0.00 0.00 33.01 33.94 3ksb s GLN 450 CO -0.01 -0.39 -0.20 0.00 -2.12 0.00 0.00 175.29 172.58 3ksb s ALA 451 N 2.33 2.59 -0.07 6.09 0.00 0.01 -4.05 121.76 128.65 3ksb s ALA 451 Ca 0.03 -1.33 -0.00 0.00 0.00 0.00 0.00 51.96 50.66 3ksb s ALA 451 Cb -0.13 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.40 3ksb s ALA 451 CO -0.08 0.58 -0.04 0.42 0.00 0.00 0.00 175.76 176.64 3ksb s ILE 452 N -1.06 0.64 -0.17 0.00 1.01 -0.32 -0.32 121.20 120.98 3ksb s ILE 452 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 3ksb s ILE 452 Cb -0.10 -0.70 0.04 0.00 0.01 0.00 0.00 42.46 41.71 3ksb s ILE 452 CO 0.08 0.28 -0.04 -0.22 0.00 0.00 0.00 174.94 175.04 3ksb s LEU 453 N 1.49 1.64 0.30 2.97 1.98 -0.22 -1.09 118.68 125.73 3ksb s LEU 453 Ca -0.01 -0.71 -0.23 0.00 -2.89 0.00 0.00 54.13 50.29 3ksb s LEU 453 Cb -0.13 -0.89 -0.09 0.00 0.66 0.00 0.00 46.19 45.73 3ksb s LEU 453 CO -0.04 -0.20 0.86 -2.84 -1.89 0.00 0.00 176.35 172.24 3ksb s PRO 454 N 1.64 4.40 0.12 0.98 0.02 -1.26 -1.94 135.00 138.96 3ksb s PRO 454 Ca 0.00 1.11 0.09 0.00 0.02 0.00 0.00 61.00 62.22 3ksb s PRO 454 Cb -0.16 -2.74 -0.04 0.00 0.02 0.00 0.00 34.50 31.58 3ksb s PRO 454 CO -0.07 0.28 -0.18 -0.51 -0.33 0.00 0.00 177.00 176.19 3ksb s LEU 455 N -2.19 2.70 -1.15 -5.54 1.43 -0.20 -4.85 118.68 108.88 3ksb s LEU 455 Ca 0.49 -0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 52.85 3ksb s LEU 455 Cb -0.16 -1.54 0.10 0.00 0.03 0.00 0.00 46.19 44.62 3ksb s LEU 455 CO 0.21 0.18 1.48 0.00 0.23 0.00 0.00 176.35 178.45 3ksb s ARG 456 N -2.16 3.86 5.52 1.70 1.04 -1.26 -2.54 118.95 125.11 3ksb s ARG 456 Ca 0.18 -1.92 0.00 0.00 -1.04 0.00 0.00 55.73 52.95 3ksb s ARG 456 Cb -0.11 -5.26 0.00 0.00 -2.04 0.00 0.00 34.95 27.54 3ksb s ARG 456 CO 0.10 -2.03 0.00 0.41 -0.04 0.00 0.00 175.30 173.74 3ksb n GLY 457 N 5.39 2.45 3.77 3.88 0.00 -0.82 -4.78 105.19 115.08 3ksb n GLY 457 Ca 0.38 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 4.12 -0.15 1.61 1.02 -1.26 -4.97 119.74 120.11 3ksb s LYS 458 Ca 0.00 2.41 -0.07 0.00 0.02 0.00 0.00 55.97 58.33 3ksb s LYS 458 Cb 0.00 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 3ksb s LYS 458 CO 0.00 -0.46 0.10 0.08 -0.92 0.00 0.00 175.35 174.16 3ksb s VAL 459 N -1.15 5.19 -0.20 3.17 1.01 -1.26 -5.03 120.40 122.13 3ksb s VAL 459 Ca 0.53 0.10 -0.41 0.00 0.00 0.00 0.00 61.98 62.20 3ksb s VAL 459 Cb -0.43 -3.29 -0.19 0.00 0.00 0.00 0.00 36.38 32.46 3ksb s VAL 459 CO 0.58 0.55 1.23 -0.38 0.00 0.00 0.00 175.10 177.07 3ksb n ILE 460 N 2.64 0.00 -2.02 2.22 5.41 -1.26 -4.79 119.36 121.56 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 -0.20 -0.03 0.00 -0.71 0.00 0.00 39.64 39.23 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 1.22 5.47 0.17 4.38 3.84 -1.26 -4.82 114.94 123.95 3ksb s ASN 461 Ca 0.92 0.70 0.22 0.00 0.21 0.00 0.00 52.86 54.90 3ksb s ASN 461 Cb -1.29 -2.53 0.89 0.00 -0.55 0.00 0.00 41.25 37.77 3ksb s ASN 461 CO 0.64 -2.15 1.67 0.35 -2.79 0.00 0.00 177.10 174.82 3ksb n THR 462 N 7.31 0.79 0.10 -5.21 -2.24 -1.26 -1.79 114.28 111.97 3ksb n THR 462 Ca 0.22 0.15 0.12 0.00 -2.27 0.00 0.00 64.05 62.26 3ksb n THR 462 Cb 0.50 -1.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.69 2.41 -2.55 6.98 0.00 -1.26 -5.02 120.51 119.38 3ksb n ALA 463 Ca 0.03 -1.09 0.03 0.00 0.00 0.00 0.00 53.44 52.41 3ksb n ALA 463 Cb 0.25 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 18.82 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 1.49 0.58 0.00 0.00 4.81 -0.74 -4.59 118.16 119.71 3ksb n LYS 464 Ca 0.21 -2.49 0.00 0.00 -0.87 0.00 0.00 58.31 55.16 3ksb n LYS 464 Cb 0.59 -0.53 0.00 0.00 0.02 0.00 0.00 35.03 35.11 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 0.12 0.00 -0.24 3.14 0.00 -1.26 -5.07 120.51 117.21 3ksb n ALA 468 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.51 3ksb n ALA 468 Cb 1.04 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.60 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 0.51 0.39 0.00 3.04 -2.04 -3.02 116.42 115.30 3ksb h ASP 469 Ca 0.00 0.04 -0.02 0.00 -3.24 0.00 0.00 57.03 53.81 3ksb h ASP 469 Cb 0.00 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.24 3ksb h ASP 469 CO 0.00 0.32 -0.19 0.40 -2.04 0.00 0.00 179.24 177.72 3ksb h ILE 470 N 0.65 0.00 -0.01 4.15 2.04 -1.98 -3.21 117.51 119.15 3ksb h ILE 470 Ca 0.32 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.18 3ksb h ILE 470 Cb 0.26 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3ksb h ILE 470 CO -0.22 0.00 0.01 -0.07 0.00 0.00 0.00 178.15 177.87 3ksb h LEU 471 N -0.53 0.00 0.00 1.44 3.38 -2.00 0.17 115.31 117.77 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 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ksb h LEU 471 CO 0.08 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.90 3ksb n LYS 472 N -4.24 0.34 -3.04 1.13 4.76 -1.14 -4.43 118.16 111.54 3ksb n LYS 472 Ca -0.03 0.09 -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 -2.40 6.21 0.10 4.39 2.20 0.60 -4.94 114.94 121.11 3ksb s ASN 473 Ca 0.19 -1.04 -0.05 0.00 -0.94 0.00 0.00 52.86 51.02 3ksb s ASN 473 Cb 0.12 -2.34 0.14 0.00 -2.00 0.00 0.00 41.25 37.17 3ksb s ASN 473 CO 0.24 -1.13 0.62 -0.62 -2.94 0.00 0.00 177.10 173.27 3ksb n GLU 474 N 6.72 -0.06 -0.15 3.55 -0.58 -1.26 -0.00 120.64 128.85 3ksb n GLU 474 Ca -0.06 0.62 -0.07 0.00 -0.42 0.00 0.00 57.16 57.23 3ksb n GLU 474 Cb 0.45 -0.92 0.02 0.00 -0.57 0.00 0.00 31.44 30.41 3ksb n GLU 474 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3ksb h GLU 475 N 0.00 0.56 -0.07 3.49 9.09 -1.94 0.39 114.58 126.09 3ksb h GLU 475 Ca 0.17 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.53 3ksb h GLU 475 Cb 0.26 -0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 27.24 3ksb h GLU 475 CO -0.40 0.37 0.00 0.82 0.05 0.00 0.00 179.01 179.85 3ksb h ILE 476 N 0.57 1.24 -0.78 -1.06 1.08 -0.74 -3.03 117.51 114.80 3ksb h ILE 476 Ca 0.17 -0.73 0.12 0.00 -0.39 0.00 0.00 64.86 64.02 3ksb h ILE 476 Cb -0.03 1.59 -0.08 0.00 -3.07 0.00 0.00 36.82 35.23 3ksb h ILE 476 CO -0.06 0.20 0.39 0.78 -0.69 0.00 0.00 178.15 178.78 3ksb h ASN 477 N -0.15 0.49 -0.36 1.72 4.21 -0.78 -1.64 115.58 119.07 3ksb h ASN 477 Ca 0.02 0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.59 3ksb h ASN 477 Cb 0.32 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.50 3ksb h ASN 477 CO 0.00 0.25 0.15 0.71 -1.29 0.00 0.00 177.43 177.25 3ksb h THR 478 N 0.62 1.19 -0.67 2.81 1.35 -0.98 -2.19 112.91 115.03 3ksb h THR 478 Ca 0.40 -0.56 0.11 0.00 -0.55 0.00 0.00 66.41 65.81 3ksb h THR 478 Cb 0.49 0.89 -0.08 0.00 -1.73 0.00 0.00 68.15 67.72 3ksb h THR 478 CO -0.31 0.20 0.27 0.24 -0.25 0.00 0.00 175.52 175.66 3ksb h MET 479 N 0.44 0.43 0.55 4.72 2.86 -1.19 -0.68 114.93 122.06 3ksb h MET 479 Ca 0.12 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3ksb h MET 479 Cb 0.18 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3ksb h MET 479 CO -0.01 0.29 -0.29 0.82 1.06 0.00 0.00 176.91 178.78 3ksb h ILE 480 N 0.45 0.41 -0.19 -1.22 2.04 -1.15 -2.87 117.51 114.98 3ksb h ILE 480 Ca 0.35 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.25 3ksb h ILE 480 Cb 0.46 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3ksb h ILE 480 CO -0.34 0.00 -0.05 1.88 0.00 0.00 0.00 178.15 179.64 3ksb h TYR 481 N -0.77 -0.11 0.00 1.37 0.05 -0.75 -1.97 116.97 114.79 3ksb h TYR 481 Ca -0.07 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.73 3ksb h TYR 481 Cb 0.61 0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.42 3ksb h TYR 481 CO -0.06 -0.08 0.00 0.25 -1.05 0.00 0.00 178.16 177.22 3ksb n THR 482 N -5.20 1.08 -0.04 -2.88 -2.24 -0.32 -2.74 114.28 101.93 3ksb n THR 482 Ca -0.03 0.27 0.01 0.00 -2.27 0.00 0.00 64.05 62.04 3ksb n THR 482 Cb 0.12 -1.07 -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 -1.44 0.48 0.00 2.28 5.41 -0.78 -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 63.27 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 1.74 0.99 5.91 7.39 0.00 -0.95 -2.97 105.19 117.30 3ksb n GLY 484 Ca -0.13 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 3.91 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 1.75 0.01 0.00 0.00 -1.24 -4.59 105.19 101.12 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 -0.43 0.00 0.00 1.61 0.24 -1.26 -3.91 118.33 114.58 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 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 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 -1.47 0.00 0.00 -1.34 -0.08 -1.26 -4.83 116.55 107.57 3ksb n ASP 490 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 3ksb n ASP 490 Cb 0.33 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.79 3ksb n ASP 490 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3ksb n PHE 491 N 0.00 0.00 -0.56 -0.67 -0.00 -1.25 -5.04 117.46 109.94 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 -3.02 0.00 -2.13 3.41 -1.26 -3.72 113.62 106.89 3ksb n SER 492 Ca 0.00 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3ksb n SER 492 Cb 0.00 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.43 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 -2.35 0.00 -3.82 -1.33 5.41 -1.26 -4.37 119.36 111.64 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 0.21 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.07 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 3.87 3.96 0.00 0.38 -1.05 -1.26 -4.60 118.70 119.99 3ksb s GLU 494 Ca 0.00 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 3ksb s GLU 494 Cb 0.00 -3.32 0.00 0.00 -0.44 0.00 0.00 34.13 30.37 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 3.14 -1.33 -0.05 -0.84 0.00 -1.26 -5.19 120.51 114.97 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 -3.77 0.00 2.85 -1.16 -4.61 115.26 108.57 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 -0.26 -0.68 1.20 2.02 -1.26 -4.17 117.35 114.19 3ksb s TYR 498 Ca 0.00 0.58 0.06 0.00 -0.37 0.00 0.00 57.07 57.34 3ksb s TYR 498 Cb 0.00 0.10 0.35 0.00 -0.40 0.00 0.00 41.96 42.01 3ksb s TYR 498 CO 0.00 -0.25 1.04 -3.47 -1.57 0.00 0.00 175.55 171.29 3ksb n ASP 499 N 2.23 3.03 -3.61 2.29 2.03 -0.96 -4.67 116.55 116.89 3ksb n ASP 499 Ca -0.17 -2.40 -0.03 0.00 0.52 0.00 0.00 54.79 52.71 3ksb n ASP 499 Cb 0.57 -0.58 -0.06 0.00 -0.72 0.00 0.00 41.12 40.33 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 -1.76 0.55 -0.22 -0.67 1.02 -1.24 -4.84 119.74 112.58 3ksb s LYS 500 Ca 0.23 1.12 -0.01 0.00 0.02 0.00 0.00 55.97 57.33 3ksb s LYS 500 Cb 0.18 0.37 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 2.04 2.66 -0.11 2.17 1.01 -0.09 -0.97 121.20 127.91 3ksb s ILE 501 Ca -0.08 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.62 3ksb s ILE 501 Cb -0.07 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 3ksb s ILE 501 CO -0.18 0.32 -0.15 -0.63 0.00 0.00 0.00 174.94 174.29 3ksb s ILE 502 N 1.32 2.91 -0.32 2.92 1.01 0.63 -0.80 121.20 128.87 3ksb s ILE 502 Ca 0.02 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 3ksb s ILE 502 Cb -0.15 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 3ksb s ILE 502 CO -0.07 0.54 0.20 -0.63 0.00 0.00 0.00 174.94 174.99 3ksb s ILE 503 N 0.09 5.06 -0.27 2.92 1.01 0.20 -0.83 121.20 129.38 3ksb s ILE 503 Ca -0.06 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3ksb s ILE 503 Cb -0.15 -3.56 0.07 0.00 0.01 0.00 0.00 42.46 38.83 3ksb s ILE 503 CO 0.05 0.05 -0.04 -0.32 0.00 0.00 0.00 174.94 174.68 3ksb s MET 504 N 1.69 1.70 0.29 2.79 1.75 -0.03 -0.93 119.30 126.57 3ksb s MET 504 Ca 0.06 -1.26 0.11 0.00 -1.25 0.00 0.00 55.69 53.35 3ksb s MET 504 Cb -0.17 -2.74 -0.05 0.00 2.84 0.00 0.00 34.83 34.70 3ksb s MET 504 CO 0.09 -0.68 -0.18 0.95 -0.65 0.00 0.00 175.02 174.55 3ksb s THR 505 N 1.24 2.41 0.56 10.11 -4.23 -1.26 -4.08 115.64 120.39 3ksb s THR 505 Ca -0.03 -2.37 -0.18 0.00 -1.18 0.00 0.00 61.69 57.94 3ksb s THR 505 Cb -0.19 -2.36 -0.14 0.00 1.34 0.00 0.00 72.50 71.15 3ksb s THR 505 CO -0.08 -0.37 -0.13 0.47 -0.54 0.00 0.00 174.62 173.98 3ksb n ASP 506 N -0.65 -3.65 -0.10 3.99 9.92 -1.26 -4.80 116.55 120.00 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 -1.65 2.69 -1.26 2.24 0.00 -1.26 -4.24 120.51 117.02 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 -4.85 116.55 115.28 3ksb n ASP 508 Ca 0.16 -0.75 -0.13 0.00 -0.50 0.00 0.00 54.79 53.58 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 -0.64 1.54 -0.26 2.12 1.35 -2.00 -2.49 112.91 112.54 3ksb h THR 509 Ca 0.00 -3.04 0.05 0.00 -0.55 0.00 0.00 66.41 62.87 3ksb h THR 509 Cb 0.00 2.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 3ksb h THR 509 CO 0.00 0.88 0.18 0.44 -0.25 0.00 0.00 175.52 176.77 3ksb h ASP 510 N 0.07 0.12 -0.17 5.36 3.32 -1.94 -1.68 116.42 121.51 3ksb h ASP 510 Ca -0.09 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.98 3ksb h ASP 510 Cb 1.83 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 41.33 3ksb h ASP 510 CO 0.17 0.08 0.06 1.23 -1.72 0.00 0.00 179.24 179.06 3ksb h GLY 511 N 0.14 0.20 1.27 2.75 0.00 -1.62 -1.71 103.07 104.10 3ksb h GLY 511 Ca 0.11 -0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.48 3ksb h GLY 511 CO -0.02 0.02 0.33 0.00 0.00 0.00 0.00 176.54 176.88 3ksb h ALA 512 N 1.10 1.97 -0.45 3.60 0.00 -1.26 0.17 119.26 124.39 3ksb h ALA 512 Ca 0.07 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3ksb h ALA 512 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ksb h ALA 512 CO -0.07 -0.07 -0.26 1.25 0.00 0.00 0.00 179.25 180.10 3ksb h HIS 513 N 0.37 1.12 -0.46 0.00 6.17 -0.92 -0.64 115.15 120.80 3ksb h HIS 513 Ca 0.22 -0.29 -0.12 0.00 0.71 0.00 0.00 60.37 60.88 3ksb h HIS 513 Cb 0.37 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.03 3ksb h HIS 513 CO -0.00 1.11 -0.20 0.82 0.71 0.00 0.00 177.93 180.37 3ksb h ILE 514 N 0.81 1.27 -0.23 6.26 2.04 -0.37 0.25 117.51 127.53 3ksb h ILE 514 Ca 0.09 -1.35 0.04 0.00 1.00 0.00 0.00 64.86 64.65 3ksb h ILE 514 Cb 0.84 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 3ksb h ILE 514 CO 0.07 0.46 -0.02 1.56 0.00 0.00 0.00 178.15 180.22 3ksb h GLN 515 N 0.80 0.04 -0.35 2.37 4.20 -0.59 0.37 115.11 121.95 3ksb h GLN 515 Ca 0.11 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.89 3ksb h GLN 515 Cb 0.75 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.45 3ksb h GLN 515 CO 0.06 0.03 -0.13 1.15 -0.67 0.00 0.00 178.83 179.26 3ksb h THR 516 N 0.04 0.55 -0.14 -0.54 2.02 -0.65 -0.86 112.91 113.34 3ksb h THR 516 Ca 0.11 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 3ksb h THR 516 Cb 0.15 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3ksb h THR 516 CO -0.21 0.00 0.03 -0.07 0.37 0.00 0.00 175.52 175.64 3ksb h LEU 517 N -0.06 0.22 -0.27 2.58 3.38 -0.50 -2.59 115.31 118.06 3ksb h LEU 517 Ca 0.18 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3ksb h LEU 517 Cb 0.33 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3ksb h LEU 517 CO -0.40 0.40 0.14 -0.07 0.09 0.00 0.00 178.44 178.61 3ksb h LEU 518 N 0.02 0.22 -0.40 1.67 3.38 -0.71 -2.55 115.31 116.96 3ksb h LEU 518 Ca 0.04 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3ksb h LEU 518 Cb 0.27 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3ksb h LEU 518 CO 0.00 0.16 0.13 -0.07 0.09 0.00 0.00 178.44 178.76 3ksb h LEU 519 N 0.30 0.13 -1.82 1.67 3.38 -1.12 -1.09 115.31 116.76 3ksb h LEU 519 Ca 0.11 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3ksb h LEU 519 Cb 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ksb h LEU 519 CO -0.07 0.11 -0.14 0.71 0.09 0.00 0.00 178.44 179.14 3ksb h THR 520 N 0.29 0.89 0.12 0.22 1.35 -1.26 0.34 112.91 114.86 3ksb h THR 520 Ca 0.18 -0.52 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 3ksb h THR 520 Cb 0.17 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 3ksb h THR 520 CO -0.19 0.14 -0.06 0.15 -0.25 0.00 0.00 175.52 175.31 3ksb h PHE 521 N 0.00 -0.14 0.31 4.73 -0.00 -0.81 0.11 116.94 121.14 3ksb h PHE 521 Ca -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.95 3ksb h PHE 521 Cb 0.28 0.05 0.00 0.00 -0.00 0.00 0.00 35.95 36.29 3ksb h PHE 521 CO 0.00 0.03 -0.15 0.74 -0.00 0.00 0.00 178.31 178.93 3ksb h PHE 522 N -0.29 -0.39 -0.55 0.41 0.04 -0.60 -0.45 116.94 115.12 3ksb h PHE 522 Ca -0.02 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.82 3ksb h PHE 522 Cb 0.23 0.13 -0.06 0.00 2.20 0.00 0.00 35.95 38.45 3ksb h PHE 522 CO -0.03 -0.23 0.22 -0.92 -0.60 0.00 0.00 178.31 176.76 3ksb h TYR 523 N -0.43 0.40 0.72 -0.55 3.20 -0.39 -1.57 116.97 118.33 3ksb h TYR 523 Ca -0.04 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 3ksb h TYR 523 Cb 0.33 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.51 3ksb h TYR 523 CO -0.05 0.14 -0.34 0.00 -1.64 0.00 0.00 178.16 176.26 3ksb h ARG 524 N 0.42 -0.93 0.00 1.82 2.47 -0.64 -3.35 114.38 114.17 3ksb h ARG 524 Ca 0.27 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 3ksb h ARG 524 Cb 0.28 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 3ksb h ARG 524 CO -0.25 -0.62 0.00 0.66 0.56 0.00 0.00 179.97 180.32 3ksb n TYR 525 N -4.95 0.00 0.08 3.04 4.02 -0.19 -4.46 117.16 114.70 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 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 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 -1.48 0.08 -0.32 -0.72 2.81 -0.65 -4.64 117.12 112.20 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 -1.45 0.14 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 0.01 -0.54 0.03 2.43 -1.53 0.97 114.38 117.57 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 0.08 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3ksb h ARG 527 CO 0.00 0.01 0.32 -1.35 -1.51 0.00 0.00 179.97 177.44 3ksb h PRO 528 N 0.01 0.62 -0.99 0.20 0.11 -1.88 0.46 132.00 130.53 3ksb h PRO 528 Ca 0.45 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.70 3ksb h PRO 528 Cb 0.72 -0.14 -0.18 0.00 0.11 0.00 0.00 31.00 31.52 3ksb h PRO 528 CO -0.90 0.41 -0.31 1.25 -0.21 0.00 0.00 178.00 178.23 3ksb h LEU 529 N 0.64 -1.15 -0.05 2.35 6.46 -1.17 1.45 115.31 123.83 3ksb h LEU 529 Ca 0.22 0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 58.27 3ksb h LEU 529 Cb 0.03 0.68 -0.00 0.00 -0.73 0.00 0.00 40.66 40.63 3ksb h LEU 529 CO -0.10 -0.31 -0.00 0.58 -0.62 0.00 0.00 178.44 177.99 3ksb h VAL 530 N -0.00 1.26 -0.80 1.05 2.07 -0.68 -3.03 116.25 116.12 3ksb h VAL 530 Ca 0.42 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 67.20 3ksb h VAL 530 Cb 0.67 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 3ksb h VAL 530 CO -1.00 0.22 0.52 -0.33 0.02 0.00 0.00 177.57 177.00 3ksb h GLU 531 N -0.22 0.83 0.07 1.57 3.07 0.32 -3.01 114.58 117.22 3ksb h GLU 531 Ca 0.01 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3ksb h GLU 531 Cb 0.35 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3ksb h GLU 531 CO 0.00 0.55 -0.06 0.00 -1.40 0.00 0.00 179.01 178.10 3ksb h ALA 532 N 1.57 -0.84 0.00 3.43 0.00 0.19 -3.44 119.26 120.16 3ksb h ALA 532 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3ksb h ALA 532 Cb 0.25 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ksb h ALA 532 CO -0.12 -0.84 0.00 0.41 0.00 0.00 0.00 179.25 178.70 3ksb n GLY 533 N -1.07 0.36 0.00 0.00 0.00 -1.14 -5.05 105.19 98.29 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 -3.72 1.61 -0.00 -1.15 -4.97 115.22 106.99 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 -0.06 5.03 0.13 1.59 1.01 -1.26 -0.92 120.40 125.93 3ksb s VAL 535 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.14 3ksb s VAL 535 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 3ksb s VAL 535 CO 0.00 0.34 -0.21 -0.31 0.00 0.00 0.00 175.10 174.92 3ksb s TYR 536 N 1.23 1.90 -0.09 5.22 2.02 0.02 -1.71 117.35 125.94 3ksb s TYR 536 Ca 0.06 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 3ksb s TYR 536 Cb -0.14 -1.00 -0.02 0.00 -0.40 0.00 0.00 41.96 40.40 3ksb s TYR 536 CO 0.05 0.28 -0.15 0.42 -1.57 0.00 0.00 175.55 174.59 3ksb s ILE 537 N -1.44 2.97 -0.07 2.71 1.01 0.13 -0.63 121.20 125.89 3ksb s ILE 537 Ca 0.11 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 3ksb s ILE 537 Cb -0.09 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 3ksb s ILE 537 CO 0.06 0.56 0.14 0.00 0.00 0.00 0.00 174.94 175.70 3ksb s ALA 538 N -0.14 3.86 -0.59 9.38 0.00 -0.10 -0.63 121.76 133.53 3ksb s ALA 538 Ca -0.01 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.28 3ksb s ALA 538 Cb -0.14 -1.88 0.15 0.00 0.00 0.00 0.00 23.12 21.25 3ksb s ALA 538 CO 0.03 0.67 0.36 -0.51 0.00 0.00 0.00 175.76 176.32 3ksb s LEU 539 N -1.43 4.23 0.25 0.00 2.01 -1.26 -4.63 118.68 117.84 3ksb s LEU 539 Ca 0.20 -3.35 -0.12 0.00 0.01 0.00 0.00 54.13 50.88 3ksb s LEU 539 Cb -0.12 -1.52 -0.08 0.00 0.01 0.00 0.00 46.19 44.48 3ksb s LEU 539 CO 0.10 -0.17 0.61 -2.16 1.01 0.00 0.00 176.35 175.74 3ksb s PRO 540 N -0.72 3.89 0.86 1.29 0.05 -1.26 -4.88 135.00 134.22 3ksb s PRO 540 Ca 0.21 0.42 -0.13 0.00 0.05 0.00 0.00 61.00 61.56 3ksb s PRO 540 Cb -0.15 -2.63 0.08 0.00 0.05 0.00 0.00 34.50 31.85 3ksb s PRO 540 CO -0.08 0.29 0.95 -2.30 0.05 0.00 0.00 177.00 175.91 3ksb n PRO 541 N -0.07 -0.07 -0.06 0.56 -0.02 -1.26 -4.68 135.00 129.41 3ksb n PRO 541 Ca 0.01 0.05 -0.10 0.00 -2.02 0.00 0.00 63.50 61.43 3ksb n PRO 541 Cb 0.52 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.79 1.96 -4.36 2.45 0.00 -0.43 -4.62 117.00 109.20 3ksb n LEU 542 Ca 0.11 0.04 -0.32 0.00 0.00 0.00 0.00 56.01 55.84 3ksb n LEU 542 Cb 0.51 -0.37 -0.15 0.00 0.00 0.00 0.00 43.42 43.42 3ksb n LEU 542 CO 0.49 0.48 -0.52 -0.31 0.00 0.00 0.00 177.39 177.53 3ksb s TYR 543 N -2.22 2.51 -0.09 1.96 2.02 -0.87 -0.12 117.35 120.55 3ksb s TYR 543 Ca -0.16 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.16 3ksb s TYR 543 Cb 0.05 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 40.03 3ksb s TYR 543 CO 0.23 -0.01 -0.16 0.15 -1.57 0.00 0.00 175.55 174.19 3ksb s LYS 544 N -0.50 2.24 -0.03 -0.62 3.01 0.04 -0.67 119.74 123.22 3ksb s LYS 544 Ca 0.06 -0.59 0.07 0.00 -1.01 0.00 0.00 55.97 54.51 3ksb s LYS 544 Cb -0.11 -1.82 -0.02 0.00 -1.01 0.00 0.00 37.83 34.86 3ksb s LYS 544 CO 0.01 0.03 -0.24 -1.64 0.51 0.00 0.00 175.35 174.02 3ksb s MET 545 N 0.71 2.19 -0.01 1.68 1.00 -0.87 -0.65 119.30 123.35 3ksb s MET 545 Ca -0.12 -0.89 0.00 0.00 0.00 0.00 0.00 55.69 54.67 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 0.56 -0.01 -1.54 0.00 0.00 0.00 175.02 174.06 3ksb s SER 546 N -0.60 0.22 -0.31 3.03 1.04 -0.24 -1.52 113.70 115.32 3ksb s SER 546 Ca 0.10 -0.02 0.09 0.00 0.48 0.00 0.00 55.95 56.59 3ksb s SER 546 Cb -0.10 -0.07 0.46 0.00 0.10 0.00 0.00 66.02 66.41 3ksb s SER 546 CO -0.01 -0.03 1.16 0.29 0.98 0.00 0.00 173.24 175.64 3ksb n LYS 547 N 3.44 3.35 0.00 4.02 5.02 -0.45 -1.08 118.16 132.46 3ksb n LYS 547 Ca -0.18 -4.14 0.00 0.00 -2.02 0.00 0.00 58.31 51.98 3ksb n LYS 547 Cb 0.56 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 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 -4.00 118.16 110.73 3ksb n LYS 551 Ca 0.39 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.32 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 -0.02 0.03 0.00 -0.36 0.00 0.00 55.97 55.62 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 0.69 -0.10 4.03 -6.30 -1.26 -5.14 118.70 112.02 3ksb s GLU 553 Ca 0.14 -0.70 0.03 0.00 -2.50 0.00 0.00 54.97 51.94 3ksb s GLU 553 Cb -0.15 -0.61 0.00 0.00 0.00 0.00 0.00 34.13 33.38 3ksb s GLU 553 CO 0.07 0.14 -0.21 -1.83 0.02 0.00 0.00 175.26 173.46 3ksb s GLU 554 N -1.22 2.69 -0.00 4.30 4.04 -1.26 -4.99 118.70 122.25 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 31.99 3ksb s GLU 554 CO 0.01 0.11 -0.04 0.14 -1.84 0.00 0.00 175.26 173.64 3ksb s VAL 555 N 0.50 0.36 0.26 1.83 -7.23 -1.26 -1.35 120.40 113.51 3ksb s VAL 555 Ca -0.16 -0.19 0.04 0.00 -1.81 0.00 0.00 61.98 59.86 3ksb s VAL 555 Cb -0.17 -0.31 -0.06 0.00 0.56 0.00 0.00 36.38 36.40 3ksb s VAL 555 CO 0.06 0.11 0.00 0.00 -0.31 0.00 0.00 175.10 174.96 3ksb s ALA 556 N -0.06 2.01 -0.02 1.32 0.00 -0.58 -4.97 121.76 119.46 3ksb s ALA 556 Ca 0.01 -1.85 0.04 0.00 0.00 0.00 0.00 51.96 50.16 3ksb s ALA 556 Cb -0.02 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 3ksb s ALA 556 CO -0.00 -0.24 -0.15 0.71 0.00 0.00 0.00 175.76 176.08 3ksb s TYR 557 N -3.34 1.37 0.17 0.00 1.51 -1.26 -2.05 117.35 113.75 3ksb s TYR 557 Ca 0.31 -0.30 0.10 0.00 -1.01 0.00 0.00 57.07 56.17 3ksb s TYR 557 Cb 0.06 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 3ksb s TYR 557 CO 0.11 -0.07 -0.23 0.00 -1.11 0.00 0.00 175.55 174.25 3ksb s ALA 558 N -0.18 2.33 -0.08 3.71 0.00 0.15 -5.00 121.76 122.68 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 -0.07 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.69 3ksb s ALA 558 CO 0.00 0.40 0.13 0.91 0.00 0.00 0.00 175.76 177.20 3ksb n TRP 559 N 0.47 0.00 -3.53 0.00 8.01 -1.26 -1.32 117.44 119.81 3ksb n TRP 559 Ca -0.14 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 0.99 -1.01 0.00 0.00 177.69 177.67 3ksb s THR 560 N -1.93 0.00 0.25 -0.99 2.01 -1.26 -4.66 115.64 109.06 3ksb s THR 560 Ca -0.00 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.85 3ksb s THR 560 Cb 0.03 -1.17 0.37 0.00 0.01 0.00 0.00 72.50 71.74 3ksb s THR 560 CO 0.18 0.00 1.32 0.47 -0.69 0.00 0.00 174.62 175.90 3ksb n ASP 561 N -0.31 -0.18 0.01 3.53 8.00 -1.26 -0.03 116.55 126.32 3ksb n ASP 561 Ca -0.10 1.44 -0.12 0.00 0.71 0.00 0.00 54.79 56.72 3ksb n ASP 561 Cb 0.62 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 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 -0.67 -0.23 0.44 0.00 -2.03 -1.21 103.07 99.37 3ksb h GLY 562 Ca 0.47 0.49 0.28 0.00 0.00 0.00 0.00 47.33 48.58 3ksb h GLY 562 CO -0.82 -0.23 0.69 1.05 0.00 0.00 0.00 176.54 177.23 3ksb h GLU 563 N -0.49 0.34 -0.06 4.80 4.11 -0.86 -2.67 114.58 119.75 3ksb h GLU 563 Ca 0.07 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.50 3ksb h GLU 563 Cb 0.62 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3ksb h GLU 563 CO -0.37 0.23 -0.02 1.25 0.07 0.00 0.00 179.01 180.16 3ksb h LEU 564 N 0.35 -0.08 -0.41 3.06 5.85 -1.06 -2.92 115.31 120.11 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 1.62 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.63 3ksb h LEU 564 CO -0.30 -0.03 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.38 3ksb h GLU 565 N -0.01 0.04 -0.87 1.25 3.07 -1.50 1.00 114.58 117.55 3ksb h GLU 565 Ca 0.03 -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 -0.07 0.03 0.47 1.05 -1.40 0.00 0.00 179.01 179.08 3ksb h GLU 566 N 0.04 1.23 -0.18 2.33 -0.00 -1.71 -0.69 114.58 115.61 3ksb h GLU 566 Ca 0.20 -0.15 0.00 0.00 -0.00 0.00 0.00 59.36 59.41 3ksb h GLU 566 Cb 0.30 -0.24 -0.01 0.00 -0.00 0.00 0.00 28.75 28.80 3ksb h GLU 566 CO -0.39 0.91 0.12 1.37 -0.00 0.00 0.00 179.01 181.02 3ksb h LEU 567 N 1.23 0.21 -0.34 3.06 -0.00 -0.94 -0.47 115.31 118.06 3ksb h LEU 567 Ca 0.31 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.17 3ksb h LEU 567 Cb 0.05 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 3ksb h LEU 567 CO -0.05 0.16 0.22 0.03 -0.00 0.00 0.00 178.44 178.81 3ksb h ARG 568 N 0.24 0.45 -0.68 0.17 2.47 -0.62 -0.84 114.38 115.57 3ksb h ARG 568 Ca 0.07 -0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.79 3ksb h ARG 568 Cb -0.02 -0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 28.16 3ksb h ARG 568 CO -0.01 0.30 0.41 0.87 0.56 0.00 0.00 179.97 182.10 3ksb h LYS 569 N 0.46 0.77 0.85 0.04 6.56 -0.99 -3.07 116.57 121.19 3ksb h LYS 569 Ca 0.12 -0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 59.63 3ksb h LYS 569 Cb -0.05 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.44 3ksb h LYS 569 CO -0.03 0.51 -0.45 -0.56 -2.06 0.00 0.00 179.45 176.87 3ksb h GLN 570 N 0.80 -1.15 0.00 3.15 -0.00 -0.68 -3.51 115.11 113.71 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 0.06 0.26 0.00 0.00 -0.00 0.00 0.00 27.48 27.80 3ksb h GLN 570 CO -0.12 -0.76 0.00 1.19 -0.00 0.00 0.00 178.83 179.13 3ksb n PHE 571 N -5.33 0.00 0.00 0.06 3.01 -0.36 -5.11 117.46 109.74 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 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 3ksb n PHE 571 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ksb n ALA 575 N -3.00 0.00 -3.07 4.37 0.00 -1.26 -4.95 120.51 112.60 3ksb n ALA 575 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3ksb n ALA 575 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3ksb n ALA 575 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ksb s THR 576 N -2.00 1.73 -0.13 0.00 -4.23 -0.24 -4.94 115.64 105.83 3ksb s THR 576 Ca 0.00 -0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 59.65 3ksb s THR 576 Cb 0.00 -1.49 -0.02 0.00 1.34 0.00 0.00 72.50 72.33 3ksb s THR 576 CO 0.00 0.49 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.25 3ksb s LEU 577 N 0.21 2.95 -0.04 4.79 2.96 -1.26 -1.08 118.68 127.21 3ksb s LEU 577 Ca -0.11 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 53.66 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 0.20 -0.25 0.00 -1.32 0.00 0.00 176.35 175.04 3ksb s GLN 578 N 0.14 2.32 -0.10 1.98 1.03 0.18 -4.97 119.66 120.24 3ksb s GLN 578 Ca -0.05 -0.90 0.01 0.00 0.04 0.00 0.00 55.36 54.46 3ksb s GLN 578 Cb -0.14 -2.12 0.02 0.00 0.03 0.00 0.00 33.01 30.80 3ksb s GLN 578 CO 0.04 0.49 -0.12 0.50 -2.54 0.00 0.00 175.29 173.66 3ksb s ARG 579 N -0.44 1.84 -0.68 9.60 3.52 -1.26 -0.78 118.95 130.76 3ksb s ARG 579 Ca 0.05 -0.42 -0.24 0.00 -0.13 0.00 0.00 55.73 54.98 3ksb s ARG 579 Cb -0.12 -1.65 0.05 0.00 -1.56 0.00 0.00 34.95 31.68 3ksb s ARG 579 CO 0.01 -0.11 1.09 0.71 -0.81 0.00 0.00 175.30 176.19 3ksb s TYR 580 N 1.13 2.53 -0.81 5.12 2.02 0.83 -4.85 117.35 123.32 3ksb s TYR 580 Ca -0.05 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 3ksb s TYR 580 Cb -0.14 -4.41 0.00 0.00 -0.40 0.00 0.00 41.96 37.01 3ksb s TYR 580 CO -0.02 -1.79 0.44 0.36 -1.57 0.00 0.00 175.55 172.96 3ksb n LYS 581 N 8.33 0.73 0.00 -0.62 2.85 -1.26 -4.62 118.16 123.57 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 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.53 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 0.23 4.35 0.31 2.58 0.00 -1.26 -5.01 105.19 106.39 3ksb n GLY 582 Ca 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.84 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 0.72 0.00 0.99 3.38 -1.92 -2.20 115.31 116.28 3ksb h LEU 583 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ksb h LEU 583 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3ksb h LEU 583 CO 0.00 0.64 0.05 0.61 0.09 0.00 0.00 178.44 179.83 3ksb n GLY 584 N -1.09 -0.26 0.04 0.83 0.00 -1.26 -1.60 105.19 101.85 3ksb n GLY 584 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.23 0.50 -2.75 1.61 2.13 -0.83 -4.90 120.64 115.18 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 0.05 -1.62 0.04 0.00 0.27 0.00 0.00 31.44 30.17 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 -3.36 2.55 0.32 5.31 0.23 -0.63 -5.03 119.30 118.69 3ksb s MET 586 Ca -0.02 -0.97 0.04 0.00 -1.03 0.00 0.00 55.69 53.71 3ksb s MET 586 Cb 0.13 -2.56 0.06 0.00 -1.53 0.00 0.00 34.83 30.93 3ksb s MET 586 CO 0.85 -0.65 0.45 0.09 -2.03 0.00 0.00 175.02 173.72 3ksb n ASN 587 N -2.24 0.98 -0.03 -1.18 3.02 -1.26 -4.94 115.26 109.61 3ksb n ASN 587 Ca 0.09 -1.74 -0.13 0.00 -0.03 0.00 0.00 54.58 52.77 3ksb n ASN 587 Cb 0.60 -0.25 -0.11 0.00 -0.61 0.00 0.00 39.78 39.41 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 0.06 0.00 -0.42 5.41 0.00 -1.96 -2.25 119.26 120.11 3ksb h ALA 588 Ca -0.15 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.53 3ksb h ALA 588 Cb 0.64 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3ksb h ALA 588 CO 0.20 -0.19 0.03 0.38 0.00 0.00 0.00 179.25 179.66 3ksb h ASP 589 N -0.59 -0.11 0.80 0.00 -0.00 -1.95 -2.45 116.42 112.12 3ksb h ASP 589 Ca -0.00 0.09 -0.04 0.00 -0.00 0.00 0.00 57.03 57.08 3ksb h ASP 589 Cb 0.60 0.15 0.01 0.00 -0.00 0.00 0.00 39.33 40.09 3ksb h ASP 589 CO 0.00 -0.02 -0.39 1.56 -0.00 0.00 0.00 179.24 180.40 3ksb h GLN 590 N 0.14 -1.04 -0.74 4.15 4.20 -1.94 -0.86 115.11 119.03 3ksb h GLN 590 Ca 0.21 0.07 0.12 0.00 0.06 0.00 0.00 58.65 59.10 3ksb h GLN 590 Cb 0.29 0.24 -0.08 0.00 0.30 0.00 0.00 27.48 28.22 3ksb h GLN 590 CO -0.32 -0.69 0.34 1.25 -0.67 0.00 0.00 178.83 178.74 3ksb h LEU 591 N -1.08 0.40 0.37 1.46 6.46 -1.24 0.83 115.31 122.51 3ksb h LEU 591 Ca -0.11 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 3ksb h LEU 591 Cb 0.83 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 3ksb h LEU 591 CO 0.18 0.20 -0.18 -0.25 -0.62 0.00 0.00 178.44 177.77 3ksb h TRP 592 N 0.54 -0.46 -0.92 1.25 2.91 -1.39 0.57 115.95 118.44 3ksb h TRP 592 Ca 0.38 -0.01 0.17 0.00 1.13 0.00 0.00 58.89 60.56 3ksb h TRP 592 Cb 0.49 0.15 -0.08 0.00 -0.51 0.00 0.00 29.16 29.22 3ksb h TRP 592 CO -0.13 -0.29 0.59 0.93 -1.03 0.00 0.00 178.44 178.51 3ksb h GLU 593 N -0.52 0.62 0.00 2.65 4.39 -0.41 -2.17 114.58 119.14 3ksb h GLU 593 Ca -0.05 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 3ksb h GLU 593 Cb 0.38 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3ksb h GLU 593 CO 0.08 0.41 -0.48 1.79 -1.16 0.00 0.00 179.01 179.66 3ksb h THR 594 N 0.64 1.37 0.00 1.13 1.35 -0.94 -3.43 112.91 113.03 3ksb h THR 594 Ca 0.48 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 3ksb h THR 594 Cb 0.87 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 70.06 3ksb h THR 594 CO -0.23 0.46 -0.23 0.35 -0.25 0.00 0.00 175.52 175.63 3ksb n THR 595 N -4.55 0.57 0.00 6.82 -2.24 0.16 -4.41 114.28 110.63 3ksb n THR 595 Ca -0.18 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 3ksb n THR 595 Cb 0.53 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.41 0.00 -1.52 -0.78 2.00 -0.85 -4.81 117.12 110.74 3ksb n MET 596 Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 57.70 57.27 3ksb n MET 596 Cb 0.60 -0.33 -0.05 0.00 0.00 0.00 0.00 33.22 33.44 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 -2.46 2.69 0.09 7.83 5.15 -0.98 -4.84 115.26 122.74 3ksb n ASN 597 Ca 0.00 0.36 0.20 0.00 -0.60 0.00 0.00 54.58 54.53 3ksb n ASN 597 Cb 0.19 -1.39 0.75 0.00 -0.53 0.00 0.00 39.78 38.80 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 13.33 0.00 -0.56 1.20 0.11 -1.92 0.18 132.00 144.34 3ksb h PRO 598 Ca -0.34 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 3ksb h PRO 598 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 3ksb h PRO 598 CO 0.99 0.00 0.27 0.93 -0.21 0.00 0.00 178.00 179.98 3ksb h GLU 599 N 0.00 0.81 0.00 1.05 3.07 -1.99 -3.34 114.58 114.18 3ksb h GLU 599 Ca 0.19 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3ksb h GLU 599 Cb 0.92 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3ksb h GLU 599 CO -0.00 0.66 0.00 0.25 -1.40 0.00 0.00 179.01 178.52 3ksb n THR 600 N -4.56 0.00 -1.80 1.13 -2.24 -0.80 -5.04 114.28 100.98 3ksb n THR 600 Ca 0.03 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 3ksb n THR 600 Cb 0.12 1.00 0.07 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.32 2.31 -0.02 -0.78 1.70 0.57 -4.92 118.95 117.49 3ksb s ARG 601 Ca 0.00 0.38 0.01 0.00 -0.47 0.00 0.00 55.73 55.64 3ksb s ARG 601 Cb 0.00 -1.97 0.01 0.00 -0.57 0.00 0.00 34.95 32.43 3ksb s ARG 601 CO 0.00 -1.41 -0.02 -0.08 -1.08 0.00 0.00 175.30 172.71 3ksb s THR 602 N -3.38 0.27 0.33 4.99 -1.32 -1.26 -4.92 115.64 110.35 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 -0.30 -0.05 0.00 -1.51 0.00 0.00 72.50 70.52 3ksb s THR 602 CO 0.52 0.13 0.04 -0.76 -2.21 0.00 0.00 174.62 172.34 3ksb s LEU 603 N 0.56 3.08 -0.07 9.08 1.43 -1.26 -4.24 118.68 127.27 3ksb s LEU 603 Ca -0.06 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.19 3ksb s LEU 603 Cb -0.09 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 3ksb s LEU 603 CO -0.01 -0.21 -0.12 -0.63 0.23 0.00 0.00 176.35 175.61 3ksb s ILE 604 N -2.46 3.21 -0.16 -0.59 1.01 0.19 -4.97 121.20 117.44 3ksb s ILE 604 Ca 0.35 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 3ksb s ILE 604 Cb -0.02 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 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 3.42 -0.28 2.79 3.52 -1.26 -0.69 118.95 125.89 3ksb s ARG 605 Ca 0.08 -0.65 -0.09 0.00 -0.13 0.00 0.00 55.73 54.94 3ksb s ARG 605 Cb -0.12 -2.76 -0.03 0.00 -1.56 0.00 0.00 34.95 30.49 3ksb s ARG 605 CO 0.01 0.12 0.14 0.08 -0.81 0.00 0.00 175.30 174.84 3ksb s VAL 606 N 0.63 4.76 0.15 7.11 1.01 -0.69 -4.99 120.40 128.36 3ksb s VAL 606 Ca -0.06 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.86 3ksb s VAL 606 Cb -0.15 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3ksb s VAL 606 CO 0.03 0.22 -0.15 0.42 0.00 0.00 0.00 175.10 175.63 3ksb s THR 607 N 1.67 1.48 -0.12 3.92 -4.23 -1.26 -4.61 115.64 112.49 3ksb s THR 607 Ca 0.06 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 3ksb s THR 607 Cb -0.16 -1.72 -0.01 0.00 1.34 0.00 0.00 72.50 71.96 3ksb s THR 607 CO 0.07 -0.46 -0.18 -0.51 -0.54 0.00 0.00 174.62 173.00 3ksb s ILE 608 N -2.39 2.60 -0.88 2.99 1.10 -1.26 -5.00 121.20 118.37 3ksb s ILE 608 Ca 0.13 -0.82 0.10 0.00 -0.51 0.00 0.00 60.65 59.55 3ksb s ILE 608 Cb -0.04 -2.06 -0.00 0.00 0.15 0.00 0.00 42.46 40.52 3ksb s ILE 608 CO 0.04 0.54 0.62 -1.84 -2.11 0.00 0.00 174.94 172.19 3ksb n GLU 609 N 3.55 2.08 -2.59 3.50 0.28 -1.26 -4.90 120.64 121.30 3ksb n GLU 609 Ca -0.19 -0.60 -0.06 0.00 -0.16 0.00 0.00 57.16 56.15 3ksb n GLU 609 Cb 0.53 -1.07 -0.02 0.00 1.43 0.00 0.00 31.44 32.31 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 -0.25 1.36 -0.00 -1.84 10.43 -1.26 -5.04 116.55 119.94 3ksb n ASP 610 Ca 0.04 -1.52 -0.00 0.00 2.57 0.00 0.00 54.79 55.88 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 2.62 0.07 0.64 7.94 -1.26 -4.61 117.00 122.40 3ksb n LEU 611 Ca -0.02 -0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.76 3ksb n LEU 611 Cb 0.15 -0.01 -0.05 0.00 0.53 0.00 0.00 43.42 44.04 3ksb n LEU 611 CO 0.08 0.44 0.73 0.00 -1.11 0.00 0.00 177.39 177.53 3ksb h ALA 612 N -0.00 -0.27 -0.51 1.96 0.00 -1.99 0.23 119.26 118.68 3ksb h ALA 612 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3ksb h ALA 612 Cb 1.01 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3ksb h ALA 612 CO -0.00 -0.70 0.30 0.07 0.00 0.00 0.00 179.25 178.92 3ksb h ARG 613 N -0.33 0.57 0.52 0.00 0.11 -1.97 -0.22 114.38 113.06 3ksb h ARG 613 Ca 0.05 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.08 3ksb h ARG 613 Cb 0.39 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 31.32 3ksb h ARG 613 CO -0.16 0.38 -0.48 0.00 0.10 0.00 0.00 179.97 179.81 3ksb h ALA 614 N 1.23 -1.10 -0.43 0.08 0.00 -1.60 0.69 119.26 118.13 3ksb h ALA 614 Ca 0.21 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3ksb h ALA 614 Cb 0.03 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 3ksb h ALA 614 CO -0.10 -1.15 -0.07 1.49 0.00 0.00 0.00 179.25 179.42 3ksb h GLU 615 N -1.00 0.03 -0.06 0.00 4.57 -0.45 0.52 114.58 118.21 3ksb h GLU 615 Ca -0.06 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3ksb h GLU 615 Cb 0.86 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.39 3ksb h GLU 615 CO -0.04 0.02 -0.25 0.00 -1.18 0.00 0.00 179.01 177.56 3ksb h ARG 616 N 0.03 -0.34 0.32 1.92 -0.00 -0.70 -0.35 114.38 115.26 3ksb h ARG 616 Ca 0.21 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.70 3ksb h ARG 616 Cb 0.31 0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.37 3ksb h ARG 616 CO -0.41 -0.23 -0.15 -0.09 0.00 0.00 0.00 179.97 179.09 3ksb h ARG 617 N -0.36 -0.41 -0.70 0.04 2.43 -0.17 -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 0.47 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 3ksb h ARG 617 CO -0.26 -0.18 0.38 0.28 -1.51 0.00 0.00 179.97 178.68 3ksb h VAL 618 N -0.58 0.92 -0.33 0.20 2.07 -0.77 -1.67 116.25 116.09 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 0.42 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3ksb h VAL 618 CO 0.07 0.12 0.16 0.78 0.02 0.00 0.00 177.57 178.72 3ksb h ASN 619 N 0.67 0.40 0.16 0.57 2.35 -1.01 0.63 115.58 119.35 3ksb h ASN 619 Ca 0.33 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 3ksb h ASN 619 Cb 0.26 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3ksb h ASN 619 CO -0.22 0.35 -0.07 0.58 -1.65 0.00 0.00 177.43 176.41 3ksb h VAL 620 N 0.46 0.00 0.02 2.81 2.07 -1.02 -1.35 116.25 119.24 3ksb h VAL 620 Ca 0.12 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3ksb h VAL 620 Cb 0.05 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 3ksb h VAL 620 CO -0.02 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.48 3ksb h LEU 621 N -0.39 -0.08 -0.23 2.57 3.38 -1.33 -3.02 115.31 116.21 3ksb h LEU 621 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ksb h LEU 621 Cb 0.16 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3ksb h LEU 621 CO 0.04 -0.03 0.00 0.23 0.09 0.00 0.00 178.44 178.76 3ksb n MET 622 N -2.46 0.16 0.00 1.13 2.81 0.17 -4.89 117.12 114.04 3ksb n MET 622 Ca -0.01 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 3ksb n MET 622 Cb 0.02 -1.73 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 0.72 -2.69 0.00 3.03 0.00 -0.51 -4.57 105.19 101.18 3ksb n GLY 623 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.15 0.75 -0.00 1.61 8.00 -1.26 -4.83 116.55 120.67 3ksb n ASP 624 Ca 0.00 -0.92 -0.15 0.00 0.71 0.00 0.00 54.79 54.43 3ksb n ASP 624 Cb 0.00 0.13 -0.14 0.00 -0.02 0.00 0.00 41.12 41.09 3ksb n ASP 624 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 3ksb h LYS 625 N 0.00 0.14 0.00 -1.24 5.09 -1.88 -3.48 116.57 115.20 3ksb h LYS 625 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 60.65 60.50 3ksb h LYS 625 Cb 0.05 0.09 0.00 0.00 0.10 0.00 0.00 32.23 32.47 3ksb h LYS 625 CO 0.00 0.87 0.00 0.28 -2.09 0.00 0.00 179.45 178.51 3ksb n VAL 626 N -3.27 0.00 -0.28 0.07 0.31 -1.26 -4.62 118.33 109.27 3ksb n VAL 626 Ca -0.24 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.22 3ksb n VAL 626 Cb 1.05 0.00 0.25 0.00 -0.91 0.00 0.00 33.84 34.23 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 4.71 -1.26 -1.28 120.64 128.31 3ksb n GLU 627 Ca 0.00 1.23 -0.21 0.00 -0.01 0.00 0.00 57.16 58.17 3ksb n GLU 627 Cb 0.00 -1.96 -0.14 0.00 -1.01 0.00 0.00 31.44 28.33 3ksb n GLU 627 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3ksb h PRO 628 N 0.00 0.25 -0.91 3.49 0.11 -1.95 -3.28 132.00 129.71 3ksb h PRO 628 Ca 0.51 -0.43 0.17 0.00 0.11 0.00 0.00 66.00 66.35 3ksb h PRO 628 Cb 1.05 0.16 -0.16 0.00 0.11 0.00 0.00 31.00 32.16 3ksb h PRO 628 CO -0.77 1.21 -0.29 -0.09 -0.21 0.00 0.00 178.00 177.84 3ksb h ARG 629 N -0.34 -0.02 -0.12 1.05 2.43 -1.54 0.35 114.38 116.19 3ksb h ARG 629 Ca -0.26 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.95 3ksb h ARG 629 Cb 1.72 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.22 3ksb h ARG 629 CO 0.08 -0.01 -0.30 -0.09 -1.51 0.00 0.00 179.97 178.14 3ksb h ARG 630 N -0.02 -0.36 -0.40 0.20 2.43 -1.31 -0.85 114.38 114.07 3ksb h ARG 630 Ca 0.39 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.60 3ksb h ARG 630 Cb 0.63 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3ksb h ARG 630 CO -0.93 -0.24 0.27 0.87 -1.51 0.00 0.00 179.97 178.42 3ksb h LYS 631 N -0.38 0.45 -0.14 0.20 1.57 -0.64 0.68 116.57 118.32 3ksb h LYS 631 Ca 0.10 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3ksb h LYS 631 Cb 0.52 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3ksb h LYS 631 CO -0.33 0.30 0.07 2.35 -0.57 0.00 0.00 179.45 181.27 3ksb h TRP 632 N 0.47 0.19 0.18 -1.35 7.01 0.76 -0.27 115.95 122.93 3ksb h TRP 632 Ca 0.16 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.16 3ksb h TRP 632 Cb 0.06 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 3ksb h TRP 632 CO -0.00 0.20 -0.22 0.82 -2.79 0.00 0.00 178.44 176.45 3ksb h ILE 633 N 0.12 0.52 -0.16 2.65 5.03 0.12 -0.07 117.51 125.71 3ksb h ILE 633 Ca 0.05 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.84 3ksb h ILE 633 Cb 0.07 0.52 -0.07 0.00 -3.03 0.00 0.00 36.82 34.32 3ksb h ILE 633 CO -0.01 0.00 -0.37 -0.33 -0.68 0.00 0.00 178.15 176.76 3ksb h GLU 634 N -0.45 -0.41 0.00 2.37 5.08 -0.73 0.33 114.58 120.77 3ksb h GLU 634 Ca 0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3ksb h GLU 634 Cb 0.44 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3ksb h GLU 634 CO -0.08 -0.28 0.00 0.38 -1.00 0.00 0.00 179.01 178.04 3ksb h ASP 635 N -0.43 0.00 0.00 1.42 3.04 -1.00 -3.39 116.42 116.06 3ksb h ASP 635 Ca 0.09 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 3ksb h ASP 635 Cb 0.59 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.88 3ksb h ASP 635 CO -0.39 0.00 -0.69 0.59 -2.04 0.00 0.00 179.24 176.71 3ksb n ASN 636 N -2.40 3.40 -4.56 4.15 3.02 -0.05 -4.97 115.26 113.85 3ksb n ASN 636 Ca 0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.18 3ksb n ASN 636 Cb 0.33 0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.80 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 -1.69 3.62 -0.64 2.41 1.01 0.11 -4.96 120.40 120.26 3ksb s VAL 637 Ca 0.00 0.45 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 3ksb s VAL 637 Cb 0.00 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 3ksb s VAL 637 CO 0.00 -1.23 2.01 -1.59 0.00 0.00 0.00 175.10 174.28 3ksb s LYS 638 N 6.05 2.46 -0.02 2.72 0.00 -1.26 -4.79 119.74 124.90 3ksb s LYS 638 Ca 0.54 0.64 0.01 0.00 0.00 0.00 0.00 55.97 57.15 3ksb s LYS 638 Cb -0.11 -4.54 0.05 0.00 0.00 0.00 0.00 37.83 33.23 3ksb s LYS 638 CO 0.21 -3.01 0.66 1.19 0.00 0.00 0.00 175.35 174.41 3ksb n PHE 639 N 13.82 0.14 0.00 1.78 3.72 -1.26 -5.26 117.46 130.40 3ksb n PHE 639 Ca 0.27 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3ksb n PHE 639 Cb 0.52 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 3ksb n PHE 639 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34