#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wct s ILE 390 N 0.00 3.68 0.07 -0.18 1.01 -1.26 -1.51 121.20 123.01 2wct s ILE 390 Ca 0.00 0.48 -0.20 0.00 0.00 0.00 0.00 60.65 60.93 2wct s ILE 390 Cb 0.00 -4.54 -0.11 0.00 0.01 0.00 0.00 42.46 37.82 2wct s ILE 390 CO 0.00 -1.40 1.50 0.50 0.00 0.00 0.00 174.94 175.54 2wct h LYS 391 N 11.35 0.33 -3.28 2.79 1.63 -1.31 -3.47 116.57 124.61 2wct h LYS 391 Ca -0.27 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 59.39 2wct h LYS 391 Cb 1.09 -0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 32.57 2wct h LYS 391 CO 1.23 0.54 0.03 0.00 -3.45 0.00 0.00 179.45 177.79 2wct s ALA 392 N -4.97 -1.06 -0.13 5.00 0.00 -1.09 -5.05 121.76 114.46 2wct s ALA 392 Ca -0.14 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.81 2wct s ALA 392 Cb 0.06 0.81 0.01 0.00 0.00 0.00 0.00 23.12 24.00 2wct s ALA 392 CO 0.73 -0.74 -0.18 0.00 0.00 0.00 0.00 175.76 175.56 2wct s ILE 394 N 1.01 3.16 -0.02 0.00 1.09 -0.16 -4.95 121.20 121.34 2wct s ILE 394 Ca -0.04 0.64 0.03 0.00 -1.10 0.00 0.00 60.65 60.18 2wct s ILE 394 Cb -0.15 -3.41 0.04 0.00 -1.06 0.00 0.00 42.46 37.88 2wct s ILE 394 CO -0.04 0.01 0.94 -0.90 -0.10 0.00 0.00 174.94 174.84 2wct n ASP 395 N 5.31 0.42 -0.08 3.58 5.68 -1.26 -4.36 116.55 125.84 2wct n ASP 395 Ca 0.15 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 2wct n ASP 395 Cb 0.41 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2wct n ASP 395 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2wct n LYS 405 N -0.23 -0.19 -0.03 0.11 -0.00 -1.25 -5.18 118.16 111.40 2wct n LYS 405 Ca 0.02 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 2wct n LYS 405 Cb 0.64 -0.15 0.00 0.00 -0.00 0.00 0.00 35.03 35.52 2wct n LYS 405 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 2wct n PHE 406 N -0.45 0.00 -4.23 5.58 -0.00 -1.26 -4.44 117.46 112.65 2wct n PHE 406 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.24 2wct n PHE 406 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 39.48 39.32 2wct n PHE 406 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.76 176.28 2wct s LEU 407 N 0.00 1.39 0.00 5.98 2.34 -1.26 -5.20 118.68 121.93 2wct s LEU 407 Ca 0.00 -0.16 0.00 0.00 0.06 0.00 0.00 54.13 54.03 2wct s LEU 407 Cb 0.00 -0.52 0.00 0.00 -0.56 0.00 0.00 46.19 45.11 2wct s LEU 407 CO 0.00 -0.04 0.00 1.07 -1.06 0.00 0.00 176.35 176.32 2wct n THR 408 N 4.01 0.00 -4.42 5.48 5.66 -1.26 -5.19 114.28 118.56 2wct n THR 408 Ca -0.24 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.50 2wct n THR 408 Cb 0.51 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.18 2wct n THR 408 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2wct s ASN 409 N 0.00 3.62 0.00 1.09 2.20 -1.26 -3.83 114.94 116.76 2wct s ASN 409 Ca 0.00 -0.88 0.00 0.00 -0.94 0.00 0.00 52.86 51.04 2wct s ASN 409 Cb 0.00 -0.35 0.00 0.00 -2.00 0.00 0.00 41.25 38.90 2wct s ASN 409 CO 0.00 0.09 0.00 0.29 -2.94 0.00 0.00 177.10 174.54 2wct n LYS 410 N -0.09 0.00 -4.78 3.55 5.02 -1.26 -4.74 118.16 115.86 2wct n LYS 410 Ca -0.10 0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 55.90 2wct n LYS 410 Cb 0.57 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.45 2wct n LYS 410 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wct s LEU 411 N -0.03 2.41 -0.35 -0.35 1.43 -0.96 -1.73 118.68 119.08 2wct s LEU 411 Ca 0.00 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 2wct s LEU 411 Cb 0.00 -1.41 0.06 0.00 0.03 0.00 0.00 46.19 44.87 2wct s LEU 411 CO 0.00 0.26 0.12 -0.22 0.23 0.00 0.00 176.35 176.74 2wct s LEU 412 N -1.32 4.53 0.13 1.79 2.96 -0.65 -1.31 118.68 124.81 2wct s LEU 412 Ca 0.13 -1.43 0.04 0.00 -0.22 0.00 0.00 54.13 52.64 2wct s LEU 412 Cb -0.10 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2wct s LEU 412 CO 0.04 -0.39 0.14 -0.76 -1.32 0.00 0.00 176.35 174.06 2wct s LEU 413 N 1.30 3.91 -0.04 -0.68 1.43 0.29 -4.34 118.68 120.56 2wct s LEU 413 Ca 0.00 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.13 2wct s LEU 413 Cb -0.21 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 2wct s LEU 413 CO -0.00 0.10 -0.23 -0.36 0.23 0.00 0.00 176.35 176.09 2wct s PHE 414 N -1.63 2.46 0.26 0.29 0.08 -1.26 -1.54 117.98 116.63 2wct s PHE 414 Ca 0.31 -0.48 0.02 0.00 0.12 0.00 0.00 56.93 56.90 2wct s PHE 414 Cb -0.11 -1.57 -0.05 0.00 -0.57 0.00 0.00 43.02 40.72 2wct s PHE 414 CO 0.24 -0.06 0.07 0.00 -0.10 0.00 0.00 175.22 175.37 2wct s ALA 415 N -0.45 1.80 0.44 5.36 0.00 -0.76 -0.53 121.76 127.62 2wct s ALA 415 Ca 0.05 -1.86 0.03 0.00 0.00 0.00 0.00 51.96 50.19 2wct s ALA 415 Cb -0.12 0.85 0.07 0.00 0.00 0.00 0.00 23.12 23.92 2wct s ALA 415 CO 0.01 -0.39 0.52 -0.40 0.00 0.00 0.00 175.76 175.50 2wct n ASP 416 N -0.47 1.07 -0.17 0.00 5.68 -0.67 -2.16 116.55 119.82 2wct n ASP 416 Ca -0.02 -1.81 -0.03 0.00 -0.50 0.00 0.00 54.79 52.43 2wct n ASP 416 Cb 0.66 -0.30 0.07 0.00 -1.14 0.00 0.00 41.12 40.40 2wct n ASP 416 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 2wct h ILE 417 N -0.17 0.88 -0.02 2.12 1.08 -1.86 -2.40 117.51 117.13 2wct h ILE 417 Ca -0.17 -0.15 -0.03 0.00 -0.39 0.00 0.00 64.86 64.11 2wct h ILE 417 Cb 0.73 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 2wct h ILE 417 CO 0.22 0.08 -0.15 0.78 -0.69 0.00 0.00 178.15 178.39 2wct h ASN 418 N 0.44 0.03 0.00 1.72 2.35 -1.96 -1.42 115.58 116.74 2wct h ASN 418 Ca 0.25 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2wct h ASN 418 Cb 0.22 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2wct h ASN 418 CO -0.21 0.18 0.00 0.61 -1.65 0.00 0.00 177.43 176.36 2wct n GLY 419 N -1.07 0.96 3.71 2.83 0.00 -0.90 -4.67 105.19 106.03 2wct n GLY 419 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2wct n GLY 419 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wct s LYS 420 N -0.38 4.52 0.55 1.61 2.36 -1.26 -4.75 119.74 122.38 2wct s LYS 420 Ca 0.00 1.45 -0.19 0.00 -2.55 0.00 0.00 55.97 54.69 2wct s LYS 420 Cb 0.00 -3.46 -0.06 0.00 -1.05 0.00 0.00 37.83 33.26 2wct s LYS 420 CO 0.00 -0.12 1.10 -0.51 1.55 0.00 0.00 175.35 177.37 2wct s LEU 421 N 1.19 3.71 0.62 5.43 1.43 -1.26 -1.67 118.68 128.13 2wct s LEU 421 Ca 0.52 2.07 -0.16 0.00 -1.03 0.00 0.00 54.13 55.53 2wct s LEU 421 Cb -0.21 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.41 2wct s LEU 421 CO 0.26 -1.16 1.11 -0.31 0.23 0.00 0.00 176.35 176.48 2wct s TYR 422 N -1.94 2.67 0.18 0.29 1.51 0.31 -4.78 117.35 115.59 2wct s TYR 422 Ca 0.70 1.55 -0.15 0.00 -1.01 0.00 0.00 57.07 58.15 2wct s TYR 422 Cb -0.21 -3.19 0.15 0.00 -0.11 0.00 0.00 41.96 38.60 2wct s TYR 422 CO 0.28 -1.60 1.66 1.25 -1.11 0.00 0.00 175.55 176.03 2wct h HIS 423 N 0.43 -0.19 -0.71 2.71 2.76 -1.90 0.25 115.15 118.50 2wct h HIS 423 Ca -0.48 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 57.69 2wct h HIS 423 Cb 1.25 0.16 -0.03 0.00 1.55 0.00 0.00 27.41 30.33 2wct h HIS 423 CO 0.54 -0.18 0.28 -0.44 -1.30 0.00 0.00 177.93 176.83 2wct h ASP 424 N 0.03 0.98 1.59 3.26 3.32 -1.93 -2.75 116.42 120.92 2wct h ASP 424 Ca 0.23 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2wct h ASP 424 Cb 0.35 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2wct h ASP 424 CO -0.46 0.88 -0.27 0.28 -1.72 0.00 0.00 179.24 177.94 2wct h SER 425 N 1.04 0.00 0.25 6.45 0.02 -1.72 -3.24 113.55 116.35 2wct h SER 425 Ca 0.24 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.02 2wct h SER 425 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2wct h SER 425 CO -0.02 0.27 -0.68 -0.61 -1.14 0.00 0.00 176.83 174.65 2wct h GLN 426 N 0.00 0.39 0.00 3.45 5.75 -0.25 -3.17 115.11 121.28 2wct h GLN 426 Ca -0.00 -0.30 -0.06 0.00 -0.15 0.00 0.00 58.65 58.14 2wct h GLN 426 Cb 1.14 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 2wct h GLN 426 CO 0.04 0.93 -0.28 -0.91 -2.65 0.00 0.00 178.83 175.95 2wct h ASN 427 N 0.28 0.00 0.86 -0.69 2.35 -1.53 -3.02 115.58 113.83 2wct h ASN 427 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2wct h ASN 427 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2wct h ASN 427 CO 0.12 0.28 0.00 0.24 -1.65 0.00 0.00 177.43 176.42 2wct h MET 428 N 0.00 0.00 -6.99 0.81 2.86 -1.59 -3.45 114.93 106.58 2wct h MET 428 Ca -0.00 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.16 2wct h MET 428 Cb 0.80 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.47 2wct h MET 428 CO 0.04 0.00 0.41 -0.51 1.06 0.00 0.00 176.91 177.90 2wct s LEU 429 N -5.69 4.08 -0.49 1.22 1.43 -1.14 -5.01 118.68 113.07 2wct s LEU 429 Ca 0.02 2.01 0.08 0.00 -1.03 0.00 0.00 54.13 55.21 2wct s LEU 429 Cb 0.09 -4.26 0.31 0.00 0.03 0.00 0.00 46.19 42.36 2wct s LEU 429 CO 0.49 -0.55 0.77 0.54 0.23 0.00 0.00 176.35 177.83 2wct n ARG 430 N -0.26 1.95 -3.58 1.70 5.12 -1.26 -4.93 116.66 115.41 2wct n ARG 430 Ca 0.06 -4.07 -0.23 0.00 -1.93 0.00 0.00 57.85 51.68 2wct n ARG 430 Cb 0.50 -1.89 0.08 0.00 -1.16 0.00 0.00 32.46 29.99 2wct n ARG 430 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wct n GLY 431 N 0.41 -0.52 3.91 -0.13 0.00 -1.26 -5.02 105.19 102.58 2wct n GLY 431 Ca 0.27 0.24 -0.27 0.00 0.00 0.00 0.00 46.02 46.25 2wct n GLY 431 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wct s GLU 432 N -6.18 3.59 -0.50 1.61 8.01 -1.26 -5.02 118.70 118.95 2wct s GLU 432 Ca 0.50 0.12 -0.28 0.00 0.01 0.00 0.00 54.97 55.32 2wct s GLU 432 Cb -0.22 -2.48 -0.01 0.00 -4.31 0.00 0.00 34.13 27.11 2wct s GLU 432 CO 0.73 -0.03 1.69 0.34 0.01 0.00 0.00 175.26 178.00 2wct s ASP 433 N -3.75 5.75 -0.45 -0.19 2.15 -1.26 -4.87 116.67 114.05 2wct s ASP 433 Ca 0.46 0.64 0.04 0.00 0.43 0.00 0.00 52.55 54.12 2wct s ASP 433 Cb -0.10 -2.53 0.66 0.00 -0.30 0.00 0.00 42.92 40.64 2wct s ASP 433 CO 0.38 -1.94 1.90 0.23 -0.17 0.00 0.00 175.17 175.57 2wct n MET 434 N 8.75 2.25 0.08 4.34 2.81 -1.26 -4.45 117.12 129.63 2wct n MET 434 Ca 0.19 -3.03 -0.03 0.00 -1.81 0.00 0.00 57.70 53.02 2wct n MET 434 Cb 0.49 -2.17 -0.06 0.00 -0.71 0.00 0.00 33.22 30.77 2wct n MET 434 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 2wct h SER 435 N 1.04 0.00 0.36 7.83 0.02 -2.01 -3.33 113.55 117.45 2wct h SER 435 Ca 0.62 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.55 2wct h SER 435 Cb 2.75 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 65.29 2wct h SER 435 CO 1.10 0.76 -0.12 2.19 -1.14 0.00 0.00 176.83 179.61 2wct h PHE 436 N 0.00 0.00 0.00 3.45 -0.00 -2.01 -2.79 116.94 115.59 2wct h PHE 436 Ca -0.06 0.00 -0.18 0.00 -0.00 0.00 0.00 57.97 57.73 2wct h PHE 436 Cb 1.63 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.55 2wct h PHE 436 CO 0.00 0.12 -0.86 1.25 -0.00 0.00 0.00 178.31 178.82 2wct h LEU 437 N 0.00 0.00 0.00 2.10 5.85 -1.91 -3.28 115.31 118.06 2wct h LEU 437 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wct h LEU 437 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2wct h LEU 437 CO 0.02 0.86 -0.72 1.21 -0.34 0.00 0.00 178.44 179.47 2wct n GLU 438 N -3.33 0.17 0.24 1.25 4.07 -1.11 -4.00 120.64 117.92 2wct n GLU 438 Ca 0.00 0.02 0.12 0.00 -0.06 0.00 0.00 57.16 57.25 2wct n GLU 438 Cb 0.88 -1.58 0.50 0.00 -0.06 0.00 0.00 31.44 31.18 2wct n GLU 438 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2wct h LYS 439 N 0.00 0.00 0.00 5.31 6.56 -1.56 -3.25 116.57 123.63 2wct h LYS 439 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2wct h LYS 439 Cb 0.64 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 2wct h LYS 439 CO 0.00 0.16 -0.01 -0.25 -2.06 0.00 0.00 179.45 177.30 2wct n ASP 440 N -3.31 1.82 -4.78 0.86 8.00 -1.26 -5.06 116.55 112.82 2wct n ASP 440 Ca 0.00 -2.03 -0.36 0.00 0.71 0.00 0.00 54.79 53.12 2wct n ASP 440 Cb 0.40 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.43 2wct n ASP 440 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wct s ALA 441 N -1.10 2.92 0.53 2.24 0.00 -1.23 -4.53 121.76 120.59 2wct s ALA 441 Ca 0.04 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 52.67 2wct s ALA 441 Cb 0.03 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 2wct s ALA 441 CO 0.00 -0.51 0.94 -1.25 0.00 0.00 0.00 175.76 174.94 2wct s PRO 442 N -2.87 3.76 0.33 0.00 0.04 -1.26 -5.08 135.00 129.92 2wct s PRO 442 Ca 0.65 0.73 0.09 0.00 0.04 0.00 0.00 61.00 62.50 2wct s PRO 442 Cb -0.24 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 2wct s PRO 442 CO 0.29 -0.33 0.03 0.71 0.04 0.00 0.00 177.00 177.74 2wct s TYR 443 N -2.78 2.58 0.27 0.56 2.02 -0.53 -5.06 117.35 114.41 2wct s TYR 443 Ca 0.55 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.89 2wct s TYR 443 Cb -0.10 -1.47 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 2wct s TYR 443 CO 0.40 0.48 0.41 -1.64 -1.57 0.00 0.00 175.55 173.63 2wct s MET 444 N -3.73 3.41 0.02 -0.62 -1.94 -1.26 -4.69 119.30 110.49 2wct s MET 444 Ca 0.35 -0.71 -0.30 0.00 -1.71 0.00 0.00 55.69 53.32 2wct s MET 444 Cb -0.01 -2.84 -0.07 0.00 2.01 0.00 0.00 34.83 33.92 2wct s MET 444 CO 0.20 0.33 1.60 0.08 -0.01 0.00 0.00 175.02 177.22 2wct s VAL 445 N -2.07 3.32 0.00 -6.03 1.01 -1.26 -2.36 120.40 113.01 2wct s VAL 445 Ca 0.36 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2wct s VAL 445 Cb -0.09 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2wct s VAL 445 CO 0.31 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2wct n GLY 446 N 3.96 0.79 3.69 4.51 0.00 -0.02 -5.01 105.19 113.12 2wct n GLY 446 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2wct n GLY 446 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wct s ASP 447 N -2.28 7.06 -0.23 1.61 1.11 -0.99 -4.82 116.67 118.13 2wct s ASP 447 Ca 0.00 1.82 -0.07 0.00 0.18 0.00 0.00 52.55 54.48 2wct s ASP 447 Cb 0.00 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 2wct s ASP 447 CO 0.00 -0.57 0.06 -0.69 1.18 0.00 0.00 175.17 175.15 2wct s VAL 448 N 2.10 4.39 -0.13 -1.27 1.01 -1.26 -1.79 120.40 123.45 2wct s VAL 448 Ca 0.56 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.41 2wct s VAL 448 Cb -0.25 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2wct s VAL 448 CO 0.22 0.38 -0.20 -0.63 0.00 0.00 0.00 175.10 174.87 2wct s ILE 449 N 1.23 2.30 -0.04 2.22 1.09 0.11 -4.98 121.20 123.13 2wct s ILE 449 Ca 0.04 -0.91 0.04 0.00 -1.10 0.00 0.00 60.65 58.73 2wct s ILE 449 Cb -0.14 -1.93 -0.00 0.00 -1.06 0.00 0.00 42.46 39.32 2wct s ILE 449 CO 0.03 0.54 -0.16 -0.89 -0.10 0.00 0.00 174.94 174.36 2wct s THR 450 N 0.66 1.33 -0.39 2.92 2.01 -1.26 0.27 115.64 121.17 2wct s THR 450 Ca -0.10 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.26 2wct s THR 450 Cb -0.16 -1.14 0.15 0.00 0.01 0.00 0.00 72.50 71.36 2wct s THR 450 CO 0.02 0.39 0.28 -0.55 -0.69 0.00 0.00 174.62 174.06 2wct s SER 451 N 0.04 2.33 1.13 3.53 0.15 -0.39 -5.03 113.70 115.47 2wct s SER 451 Ca -0.03 -2.66 0.00 0.00 0.70 0.00 0.00 55.95 53.96 2wct s SER 451 Cb -0.11 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 2wct s SER 451 CO 0.02 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2wct n GLY 452 N 3.41 1.91 0.09 9.45 0.00 -1.26 -3.17 105.19 115.61 2wct n GLY 452 Ca 0.20 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2wct n GLY 452 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wct h ASP 453 N 0.00 0.00 -2.79 1.61 3.32 -1.97 -3.46 116.42 113.14 2wct h ASP 453 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2wct h ASP 453 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2wct h ASP 453 CO 0.00 0.84 1.00 -0.63 -1.72 0.00 0.00 179.24 178.73 2wct s ILE 454 N -2.74 3.94 -0.11 0.35 1.01 -1.19 -2.27 121.20 120.19 2wct s ILE 454 Ca -0.03 1.12 0.03 0.00 0.00 0.00 0.00 60.65 61.78 2wct s ILE 454 Cb 0.08 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.80 2wct s ILE 454 CO 0.81 -0.14 -0.22 -0.89 0.00 0.00 0.00 174.94 174.50 2wct s THR 455 N 3.95 1.97 -0.03 2.92 2.01 -0.42 -1.26 115.64 124.77 2wct s THR 455 Ca 0.64 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.75 2wct s THR 455 Cb -0.26 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 2wct s THR 455 CO 0.22 0.54 -0.22 0.00 -0.69 0.00 0.00 174.62 174.47 2wct s VAL 457 N -0.35 1.24 -0.36 0.00 0.11 -0.59 0.08 120.40 120.52 2wct s VAL 457 Ca 0.04 -0.59 -0.27 0.00 -2.93 0.00 0.00 61.98 58.23 2wct s VAL 457 Cb -0.10 -1.09 0.02 0.00 -1.53 0.00 0.00 36.38 33.67 2wct s VAL 457 CO 0.01 0.37 0.98 -0.69 -3.33 0.00 0.00 175.10 172.44 2wct s VAL 458 N 0.28 4.54 0.16 2.04 1.01 -0.74 -1.83 120.40 125.85 2wct s VAL 458 Ca -0.08 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.28 2wct s VAL 458 Cb -0.13 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 2wct s VAL 458 CO 0.03 -0.56 0.22 0.27 0.00 0.00 0.00 175.10 175.06 2wct s ILE 459 N 3.60 4.94 0.54 2.22 -4.36 -0.92 -0.84 121.20 126.39 2wct s ILE 459 Ca 0.41 -0.89 -0.18 0.00 -0.26 0.00 0.00 60.65 59.73 2wct s ILE 459 Cb -0.12 -3.55 -0.06 0.00 1.25 0.00 0.00 42.46 39.98 2wct s ILE 459 CO 0.19 -0.12 1.05 -2.16 0.24 0.00 0.00 174.94 174.14 2wct s PRO 460 N -3.24 3.56 -0.27 0.37 0.04 -1.26 -4.78 135.00 129.42 2wct s PRO 460 Ca 0.33 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 2wct s PRO 460 Cb -0.10 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 2wct s PRO 460 CO 0.26 -0.62 0.25 0.45 0.04 0.00 0.00 177.00 177.38 2wct s SER 461 N -2.34 6.11 0.22 6.66 0.15 -1.26 -4.89 113.70 118.35 2wct s SER 461 Ca 0.66 0.11 -0.05 0.00 0.70 0.00 0.00 55.95 57.36 2wct s SER 461 Cb -0.17 -2.15 0.19 0.00 -1.71 0.00 0.00 66.02 62.19 2wct s SER 461 CO 0.28 -0.08 1.69 0.50 1.20 0.00 0.00 173.24 176.83 2wct h LYS 462 N 8.19 0.92 0.00 5.44 3.64 -1.84 0.36 116.57 133.28 2wct h LYS 462 Ca -0.34 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 58.74 2wct h LYS 462 Cb 1.18 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2wct h LYS 462 CO 0.59 0.93 -0.03 1.57 -2.27 0.00 0.00 179.45 180.24 2wct h LYS 463 N 0.84 0.00 -0.54 1.90 2.10 -1.87 -1.13 116.57 117.88 2wct h LYS 463 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2wct h LYS 463 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2wct h LYS 463 CO 0.03 0.03 0.00 0.00 -2.00 0.00 0.00 179.45 177.51 2wct n ALA 464 N -2.13 2.41 0.00 0.07 0.00 -0.91 -4.95 120.51 115.00 2wct n ALA 464 Ca -0.01 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.35 2wct n ALA 464 Cb 0.24 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2wct n ALA 464 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wct n GLY 465 N 1.54 0.55 3.68 0.00 0.00 -0.43 -4.95 105.19 105.58 2wct n GLY 465 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2wct n GLY 465 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wct n GLY 466 N -1.37 0.37 3.89 -0.02 0.00 0.12 -4.92 105.19 103.26 2wct n GLY 466 Ca 0.00 0.19 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 2wct n GLY 466 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wct s THR 467 N -1.21 3.15 0.21 2.61 -4.23 -1.26 -4.34 115.64 110.57 2wct s THR 467 Ca 0.61 -1.29 -0.07 0.00 -1.18 0.00 0.00 61.69 59.76 2wct s THR 467 Cb -0.52 -3.10 0.13 0.00 1.34 0.00 0.00 72.50 70.34 2wct s THR 467 CO 0.58 -0.08 1.74 0.74 -0.54 0.00 0.00 174.62 177.06 2wct h THR 468 N 1.07 1.26 -0.51 3.99 2.02 -1.98 -2.24 112.91 116.52 2wct h THR 468 Ca -0.43 -0.94 -0.08 0.00 0.77 0.00 0.00 66.41 65.73 2wct h THR 468 Cb 1.26 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 2wct h THR 468 CO 0.56 0.36 -0.02 -0.33 0.37 0.00 0.00 175.52 176.47 2wct h GLU 469 N 1.06 0.87 -0.55 6.66 3.07 -1.99 -1.70 114.58 122.00 2wct h GLU 469 Ca 0.22 -0.25 -0.10 0.00 -0.50 0.00 0.00 59.36 58.73 2wct h GLU 469 Cb 0.35 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 2wct h GLU 469 CO -0.00 0.88 -0.06 0.52 -1.40 0.00 0.00 179.01 178.94 2wct h MET 470 N 0.80 1.01 -0.18 2.33 2.86 -1.90 -1.85 114.93 118.00 2wct h MET 470 Ca 0.15 -0.35 -0.04 0.00 -2.06 0.00 0.00 59.70 57.39 2wct h MET 470 Cb 0.50 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2wct h MET 470 CO 0.03 1.04 -0.06 1.25 1.06 0.00 0.00 176.91 180.22 2wct h LEU 471 N 0.89 0.36 -1.63 1.22 5.85 -1.28 -2.57 115.31 118.16 2wct h LEU 471 Ca 0.15 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2wct h LEU 471 Cb 0.62 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2wct h LEU 471 CO 0.04 0.66 0.23 -1.28 -0.34 0.00 0.00 178.44 177.76 2wct h SER 472 N 0.05 0.42 0.27 1.25 0.87 -1.28 -1.33 113.55 113.81 2wct h SER 472 Ca 0.04 -0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.40 2wct h SER 472 Cb 0.51 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2wct h SER 472 CO 0.02 0.31 -0.74 -0.09 -0.53 0.00 0.00 176.83 175.81 2wct h ARG 473 N 0.50 0.40 -0.03 2.24 2.43 -1.28 -2.56 114.38 116.08 2wct h ARG 473 Ca 0.13 -0.33 -0.15 0.00 -0.81 0.00 0.00 59.98 58.82 2wct h ARG 473 Cb -0.04 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2wct h ARG 473 CO -0.03 0.97 -0.66 0.00 -1.51 0.00 0.00 179.97 178.74 2wct h ALA 474 N 0.93 0.83 0.00 2.80 0.00 -0.98 -3.00 119.26 119.84 2wct h ALA 474 Ca -0.03 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 2wct h ALA 474 Cb 1.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2wct h ALA 474 CO 0.13 0.79 -0.51 -0.07 0.00 0.00 0.00 179.25 179.59 2wct h LEU 475 N 0.09 0.00 -0.26 0.00 4.07 -1.22 -2.86 115.31 115.14 2wct h LEU 475 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2wct h LEU 475 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 2wct h LEU 475 CO 0.10 0.51 0.00 0.29 -1.08 0.00 0.00 178.44 178.26 2wct n LYS 476 N -3.75 0.12 0.02 1.13 5.02 -0.97 -2.54 118.16 117.19 2wct n LYS 476 Ca -0.01 0.27 0.13 0.00 -2.02 0.00 0.00 58.31 56.68 2wct n LYS 476 Cb 0.55 -1.69 0.40 0.00 -0.02 0.00 0.00 35.03 34.27 2wct n LYS 476 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wct n LYS 477 N -1.92 0.08 -2.65 1.97 5.02 -1.08 -4.83 118.16 114.76 2wct n LYS 477 Ca 0.04 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 2wct n LYS 477 Cb 0.27 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 2wct n LYS 477 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wct s VAL 478 N -3.04 4.29 0.11 -0.18 1.01 -1.05 -4.88 120.40 116.65 2wct s VAL 478 Ca 0.11 1.90 -0.31 0.00 0.00 0.00 0.00 61.98 63.69 2wct s VAL 478 Cb 0.17 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 2wct s VAL 478 CO 0.63 0.29 1.44 -2.16 0.00 0.00 0.00 175.10 175.30 2wct s PRO 479 N -0.04 4.29 -0.32 2.72 0.04 -1.26 -4.90 135.00 135.52 2wct s PRO 479 Ca 0.48 2.14 -0.33 0.00 0.04 0.00 0.00 61.00 63.34 2wct s PRO 479 Cb -0.25 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 30.91 2wct s PRO 479 CO 0.31 -0.50 2.22 0.28 0.04 0.00 0.00 177.00 179.35 2wct n VAL 480 N 4.06 0.22 -3.30 -0.36 0.31 -1.26 -4.91 118.33 113.09 2wct n VAL 480 Ca 0.12 -0.34 -0.03 0.00 -0.01 0.00 0.00 64.34 64.09 2wct n VAL 480 Cb 0.42 -1.94 0.01 0.00 -0.91 0.00 0.00 33.84 31.41 2wct n VAL 480 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wct n ASP 481 N 10.65 -0.78 -4.69 4.52 -0.08 -1.26 -4.99 116.55 119.91 2wct n ASP 481 Ca 0.38 -1.53 -0.37 0.00 -1.51 0.00 0.00 54.79 51.76 2wct n ASP 481 Cb 0.30 1.30 -0.08 0.00 2.34 0.00 0.00 41.12 44.98 2wct n ASP 481 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2wct s GLU 482 N -2.03 4.19 0.04 -0.67 2.02 -1.26 -1.44 118.70 119.55 2wct s GLU 482 Ca 0.06 0.06 0.03 0.00 0.02 0.00 0.00 54.97 55.14 2wct s GLU 482 Cb -0.02 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 2wct s GLU 482 CO 0.04 0.09 -0.10 0.71 0.02 0.00 0.00 175.26 176.02 2wct s TYR 483 N 0.94 0.87 -0.26 1.61 2.02 -0.08 -4.61 117.35 117.83 2wct s TYR 483 Ca 0.16 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.36 2wct s TYR 483 Cb -0.14 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 2wct s TYR 483 CO 0.06 -0.02 0.15 0.42 -1.57 0.00 0.00 175.55 174.58 2wct s ILE 484 N -1.06 5.01 0.31 2.71 1.09 -0.71 -0.61 121.20 127.94 2wct s ILE 484 Ca -0.04 0.06 0.05 0.00 -1.10 0.00 0.00 60.65 59.62 2wct s ILE 484 Cb -0.08 -3.36 -0.02 0.00 -1.06 0.00 0.00 42.46 37.93 2wct s ILE 484 CO 0.01 0.30 0.30 1.07 -0.10 0.00 0.00 174.94 176.51 2wct n THR 485 N 4.87 0.00 -4.48 2.92 5.66 -0.07 -1.64 114.28 121.54 2wct n THR 485 Ca -0.15 -2.08 -0.30 0.00 -3.05 0.00 0.00 64.05 58.47 2wct n THR 485 Cb 0.52 1.08 -0.05 0.00 -1.55 0.00 0.00 70.33 70.34 2wct n THR 485 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2wct n THR 486 N -0.57 0.00 -2.89 1.09 -2.24 -1.26 -0.43 114.28 107.98 2wct n THR 486 Ca 0.06 -2.32 -0.41 0.00 -2.27 0.00 0.00 64.05 59.10 2wct n THR 486 Cb 0.55 0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 2wct n THR 486 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2wct s TYR 487 N -2.79 3.55 0.30 4.78 2.02 -1.26 -4.89 117.35 119.06 2wct s TYR 487 Ca 0.10 1.39 -0.29 0.00 -0.37 0.00 0.00 57.07 57.90 2wct s TYR 487 Cb -0.01 -2.97 -0.09 0.00 -0.40 0.00 0.00 41.96 38.49 2wct s TYR 487 CO 0.06 -0.05 1.09 -1.25 -1.57 0.00 0.00 175.55 173.84 2wct s PRO 488 N 1.29 4.58 -0.45 -1.71 0.04 -1.26 -4.43 135.00 133.06 2wct s PRO 488 Ca 0.42 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 63.22 2wct s PRO 488 Cb -0.18 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 2wct s PRO 488 CO 0.19 0.17 0.41 0.41 0.04 0.00 0.00 177.00 178.22 2wct n GLY 489 N 1.09 -0.55 3.38 0.56 0.00 -1.26 -4.73 105.19 103.67 2wct n GLY 489 Ca -0.00 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2wct n GLY 489 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wct s GLN 490 N -3.29 2.34 0.00 1.61 -1.52 -1.26 -1.33 119.66 116.20 2wct s GLN 490 Ca 0.10 -0.83 0.00 0.00 -1.95 0.00 0.00 55.36 52.68 2wct s GLN 490 Cb -0.01 -2.20 0.00 0.00 -0.22 0.00 0.00 33.01 30.57 2wct s GLN 490 CO 0.39 0.56 0.00 0.41 -0.25 0.00 0.00 175.29 176.41 2wct n GLY 491 N 2.45 0.00 3.59 3.09 0.00 -1.26 -4.75 105.19 108.32 2wct n GLY 491 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2wct n GLY 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wct n ALA 493 N 9.37 0.00 -1.17 0.00 0.00 -1.26 -4.70 120.51 122.75 2wct n ALA 493 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2wct n ALA 493 Cb 0.48 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2wct n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wct n GLY 494 N -1.78 -0.33 3.77 0.00 0.00 -1.17 -3.08 105.19 102.60 2wct n GLY 494 Ca 0.00 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 2wct n GLY 494 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wct s TYR 495 N 0.28 3.31 0.72 1.61 2.02 -0.44 -4.86 117.35 120.00 2wct s TYR 495 Ca 0.00 1.65 -0.11 0.00 -0.37 0.00 0.00 57.07 58.23 2wct s TYR 495 Cb 0.00 -3.21 0.03 0.00 -0.40 0.00 0.00 41.96 38.38 2wct s TYR 495 CO 0.00 -0.71 1.10 0.95 -1.57 0.00 0.00 175.55 175.32 2wct s THR 496 N -1.50 3.33 0.31 -0.71 -4.23 -1.26 -4.56 115.64 107.03 2wct s THR 496 Ca 0.54 0.43 0.02 0.00 -1.18 0.00 0.00 61.69 61.50 2wct s THR 496 Cb -0.26 -3.40 0.17 0.00 1.34 0.00 0.00 72.50 70.35 2wct s THR 496 CO 0.32 -0.56 1.87 0.25 -0.54 0.00 0.00 174.62 175.96 2wct h LEU 497 N -0.73 0.65 -0.71 4.79 5.85 -1.92 -0.44 115.31 122.80 2wct h LEU 497 Ca -0.45 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.04 2wct h LEU 497 Cb 1.26 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2wct h LEU 497 CO 0.64 0.65 -0.33 -0.33 -0.34 0.00 0.00 178.44 178.72 2wct h GLU 498 N 0.68 0.62 -0.09 1.25 4.39 -1.93 -1.19 114.58 118.31 2wct h GLU 498 Ca 0.15 -0.28 -0.21 0.00 0.34 0.00 0.00 59.36 59.36 2wct h GLU 498 Cb 0.26 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2wct h GLU 498 CO -0.00 0.87 -0.76 0.93 -1.16 0.00 0.00 179.01 178.88 2wct h GLU 499 N 0.52 0.67 -0.54 2.33 5.08 -1.79 -3.01 114.58 117.84 2wct h GLU 499 Ca 0.06 -0.60 -0.10 0.00 -1.00 0.00 0.00 59.36 57.71 2wct h GLU 499 Cb 0.82 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2wct h GLU 499 CO 0.07 1.21 -0.06 0.00 -1.00 0.00 0.00 179.01 179.23 2wct h ALA 500 N 0.47 0.87 -0.43 3.43 0.00 -1.08 -2.54 119.26 119.97 2wct h ALA 500 Ca -0.07 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.53 2wct h ALA 500 Cb 1.41 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2wct h ALA 500 CO 0.15 0.65 0.26 -0.22 0.00 0.00 0.00 179.25 180.10 2wct h LYS 501 N 0.89 0.51 -0.45 0.00 3.64 -1.26 -2.33 116.57 117.57 2wct h LYS 501 Ca 0.15 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 2wct h LYS 501 Cb 0.60 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2wct h LYS 501 CO 0.04 0.34 -0.13 1.15 -2.27 0.00 0.00 179.45 178.58 2wct h THR 502 N 0.53 1.26 -0.73 1.00 2.02 -1.46 -1.53 112.91 114.00 2wct h THR 502 Ca 0.17 -1.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 2wct h THR 502 Cb -0.01 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2wct h THR 502 CO -0.07 0.42 0.36 0.00 0.37 0.00 0.00 175.52 176.60 2wct h ALA 503 N 1.11 0.94 -0.20 6.16 0.00 -1.16 0.25 119.26 126.36 2wct h ALA 503 Ca 0.12 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2wct h ALA 503 Cb 0.63 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2wct h ALA 503 CO 0.04 0.50 -0.70 -0.07 0.00 0.00 0.00 179.25 179.03 2wct h LEU 504 N 1.02 0.93 -1.42 0.00 3.38 -1.35 -3.06 115.31 114.81 2wct h LEU 504 Ca 0.25 -0.57 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 2wct h LEU 504 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2wct h LEU 504 CO -0.03 1.36 -0.29 0.11 0.09 0.00 0.00 178.44 179.68 2wct h LYS 505 N 0.57 0.00 0.00 1.13 1.57 -0.98 -0.10 116.57 118.76 2wct h LYS 505 Ca -0.03 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2wct h LYS 505 Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 2wct h LYS 505 CO 0.15 0.29 -0.49 -0.22 -0.57 0.00 0.00 179.45 178.61 2wct h LYS 506 N 0.00 0.00 -7.11 3.15 3.64 -0.94 -3.28 116.57 112.03 2wct h LYS 506 Ca -0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 2wct h LYS 506 Cb 0.54 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 32.44 2wct h LYS 506 CO 0.04 0.49 0.43 0.00 -2.27 0.00 0.00 179.45 178.13 2wct h LYS 508 N 0.95 0.00 -7.15 0.00 1.57 -1.90 -0.30 116.57 109.74 2wct h LYS 508 Ca -0.50 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.82 2wct h LYS 508 Cb 1.26 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.59 2wct h LYS 508 CO 0.56 0.00 0.37 -1.12 -0.57 0.00 0.00 179.45 178.69 2wct s SER 509 N -5.99 6.47 -0.08 0.86 0.01 -1.26 -4.68 113.70 109.04 2wct s SER 509 Ca 0.05 1.71 -0.14 0.00 1.31 0.00 0.00 55.95 58.87 2wct s SER 509 Cb 0.07 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 2wct s SER 509 CO 0.62 -0.69 0.35 0.00 0.41 0.00 0.00 173.24 173.92 2wct s ALA 510 N -2.39 3.66 0.00 1.44 0.00 -0.52 -0.38 121.76 123.58 2wct s ALA 510 Ca 0.62 -0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.31 2wct s ALA 510 Cb -0.12 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 2wct s ALA 510 CO 0.27 0.33 -0.21 -0.06 0.00 0.00 0.00 175.76 176.08 2wct s PHE 511 N -0.41 1.88 -0.37 0.00 0.08 -0.57 -0.90 117.98 117.68 2wct s PHE 511 Ca 0.21 -0.36 -0.03 0.00 0.12 0.00 0.00 56.93 56.86 2wct s PHE 511 Cb -0.15 -1.18 0.09 0.00 -0.57 0.00 0.00 43.02 41.21 2wct s PHE 511 CO 0.09 0.01 0.14 0.71 -0.10 0.00 0.00 175.22 176.07 2wct s TYR 512 N -0.60 3.47 -0.25 0.36 2.02 0.22 -0.78 117.35 121.81 2wct s TYR 512 Ca 0.08 -2.18 -0.15 0.00 -0.37 0.00 0.00 57.07 54.45 2wct s TYR 512 Cb -0.08 -2.85 -0.04 0.00 -0.40 0.00 0.00 41.96 38.59 2wct s TYR 512 CO 0.00 -0.91 0.39 0.08 -1.57 0.00 0.00 175.55 173.55 2wct s VAL 513 N 1.20 5.17 0.19 0.71 1.01 -0.57 -0.89 120.40 127.21 2wct s VAL 513 Ca 0.04 0.64 -0.24 0.00 0.00 0.00 0.00 61.98 62.42 2wct s VAL 513 Cb -0.22 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 2wct s VAL 513 CO -0.03 0.18 0.77 -0.76 0.00 0.00 0.00 175.10 175.27 2wct s LEU 514 N 1.85 4.52 0.72 3.92 1.43 0.43 -0.98 118.68 130.56 2wct s LEU 514 Ca 0.17 1.61 -0.12 0.00 -1.03 0.00 0.00 54.13 54.75 2wct s LEU 514 Cb -0.15 -3.41 0.03 0.00 0.03 0.00 0.00 46.19 42.68 2wct s LEU 514 CO 0.09 0.15 1.09 -2.16 0.23 0.00 0.00 176.35 175.75 2wct s PRO 515 N -1.41 2.60 0.00 1.29 0.04 -1.26 -4.34 135.00 131.91 2wct s PRO 515 Ca 0.38 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2wct s PRO 515 Cb -0.21 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2wct s PRO 515 CO 0.25 -1.38 0.00 0.45 0.04 0.00 0.00 177.00 176.36 2wct n SER 516 N -3.10 0.00 -3.96 6.66 2.88 -1.26 -4.99 113.62 109.85 2wct n SER 516 Ca 0.09 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.44 2wct n SER 516 Cb 0.53 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.84 2wct n SER 516 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2wct s GLU 524 N 0.03 0.72 0.37 -1.46 2.56 -1.26 -5.20 118.70 114.46 2wct s GLU 524 Ca 0.00 -0.21 0.10 0.00 0.00 0.00 0.00 54.97 54.85 2wct s GLU 524 Cb 0.00 -0.70 0.84 0.00 2.00 0.00 0.00 34.13 36.27 2wct s GLU 524 CO 0.00 0.07 1.88 0.82 -0.56 0.00 0.00 175.26 177.47 2wct h ILE 525 N 5.43 0.84 0.00 -3.70 2.04 -1.97 -1.79 117.51 118.36 2wct h ILE 525 Ca -0.33 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 2wct h ILE 525 Cb 1.17 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2wct h ILE 525 CO 0.49 0.12 -0.37 -0.07 0.00 0.00 0.00 178.15 178.32 2wct h LEU 526 N 0.66 0.00 0.00 1.44 3.38 -2.03 -3.08 115.31 115.68 2wct h LEU 526 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2wct h LEU 526 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2wct h LEU 526 CO -0.19 0.37 -0.00 0.61 0.09 0.00 0.00 178.44 179.32 2wct n GLY 527 N -0.45 -1.59 3.59 0.83 0.00 -0.67 -4.82 105.19 102.08 2wct n GLY 527 Ca -0.02 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2wct n GLY 527 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wct s THR 528 N -3.05 4.56 0.45 2.61 2.01 -1.17 -1.03 115.64 120.02 2wct s THR 528 Ca 0.12 1.01 0.05 0.00 0.31 0.00 0.00 61.69 63.19 2wct s THR 528 Cb 0.16 -4.36 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 2wct s THR 528 CO 0.56 -0.63 0.05 0.68 -0.69 0.00 0.00 174.62 174.59 2wct s VAL 529 N 3.54 1.78 -0.57 3.82 -7.23 0.07 -4.99 120.40 116.83 2wct s VAL 529 Ca 0.37 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.67 2wct s VAL 529 Cb -0.11 -2.72 0.24 0.00 0.56 0.00 0.00 36.38 34.35 2wct s VAL 529 CO 0.21 0.00 0.64 -0.24 -0.31 0.00 0.00 175.10 175.40 2wct n SER 530 N -1.13 2.51 -4.52 4.85 2.88 -1.26 -1.00 113.62 115.95 2wct n SER 530 Ca -0.08 -3.16 -0.31 0.00 -1.33 0.00 0.00 58.87 53.98 2wct n SER 530 Cb 0.67 -0.67 -0.11 0.00 -0.75 0.00 0.00 64.21 63.34 2wct n SER 530 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2wct s TRP 531 N -1.90 2.68 0.77 0.66 0.51 -1.24 -4.90 118.94 115.53 2wct s TRP 531 Ca 0.37 -0.18 -0.05 0.00 -2.12 0.00 0.00 56.10 54.12 2wct s TRP 531 Cb 0.13 -1.50 0.14 0.00 -0.81 0.00 0.00 33.47 31.43 2wct s TRP 531 CO -0.06 0.32 1.07 0.54 -0.51 0.00 0.00 176.95 178.31 2wct s ASN 532 N -1.57 4.09 0.22 2.95 2.20 -1.26 -4.66 114.94 116.91 2wct s ASN 532 Ca 0.17 -0.16 -0.08 0.00 -0.94 0.00 0.00 52.86 51.84 2wct s ASN 532 Cb -0.11 -0.16 0.28 0.00 -2.00 0.00 0.00 41.25 39.26 2wct s ASN 532 CO 0.07 -2.05 1.83 0.25 -2.94 0.00 0.00 177.10 174.27 2wct h LEU 533 N -0.79 0.67 -0.43 3.54 5.85 -2.01 -0.33 115.31 121.83 2wct h LEU 533 Ca -0.39 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.37 2wct h LEU 533 Cb 1.26 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2wct h LEU 533 CO 0.41 0.43 0.27 -0.09 -0.34 0.00 0.00 178.44 179.12 2wct h ARG 534 N 0.81 0.54 -0.34 1.25 2.43 -1.99 -0.07 114.38 117.00 2wct h ARG 534 Ca 0.33 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2wct h ARG 534 Cb 0.18 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2wct h ARG 534 CO -0.18 0.35 0.13 0.93 -1.51 0.00 0.00 179.97 179.70 2wct h GLU 535 N 0.55 0.51 -0.56 0.20 5.08 -1.82 -2.77 114.58 115.78 2wct h GLU 535 Ca 0.16 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2wct h GLU 535 Cb -0.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2wct h GLU 535 CO -0.05 0.51 0.04 0.52 -1.00 0.00 0.00 179.01 179.04 2wct h MET 536 N 0.40 0.92 -0.22 2.33 2.86 -0.83 -2.76 114.93 117.64 2wct h MET 536 Ca 0.11 -0.25 -0.10 0.00 -2.06 0.00 0.00 59.70 57.40 2wct h MET 536 Cb 0.19 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2wct h MET 536 CO -0.01 0.89 -0.31 -0.07 1.06 0.00 0.00 176.91 178.47 2wct h LEU 537 N 0.86 0.45 -0.47 1.22 3.38 -0.94 -1.52 115.31 118.30 2wct h LEU 537 Ca 0.17 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2wct h LEU 537 Cb 0.45 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2wct h LEU 537 CO 0.02 0.74 -0.19 0.00 0.09 0.00 0.00 178.44 179.10 2wct h ALA 538 N 1.29 0.65 -0.59 1.53 0.00 -1.38 -1.71 119.26 119.05 2wct h ALA 538 Ca 0.05 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2wct h ALA 538 Cb 0.73 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2wct h ALA 538 CO 0.06 0.62 -0.01 1.25 0.00 0.00 0.00 179.25 181.17 2wct h HIS 539 N 0.80 1.12 -0.33 0.00 -0.00 -1.35 -2.91 115.15 112.49 2wct h HIS 539 Ca 0.11 -0.19 -0.15 0.00 -0.00 0.00 0.00 60.37 60.14 2wct h HIS 539 Cb 0.77 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 2wct h HIS 539 CO 0.05 1.00 -0.40 0.00 -0.00 0.00 0.00 177.93 178.58 2wct h ALA 540 N 1.04 0.68 -0.03 5.26 0.00 -1.14 -1.58 119.26 123.49 2wct h ALA 540 Ca 0.17 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 2wct h ALA 540 Cb 0.55 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2wct h ALA 540 CO 0.03 0.67 -0.60 1.05 0.00 0.00 0.00 179.25 180.40 2wct h GLU 541 N 0.64 0.09 0.16 0.00 4.11 -1.30 -1.69 114.58 116.60 2wct h GLU 541 Ca 0.05 -0.06 -0.32 0.00 0.07 0.00 0.00 59.36 59.10 2wct h GLU 541 Cb 0.96 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2wct h GLU 541 CO 0.09 0.66 -1.62 1.05 0.07 0.00 0.00 179.01 179.26 2wct h GLU 542 N 0.07 0.34 0.00 1.06 4.11 -1.53 -3.36 114.58 115.27 2wct h GLU 542 Ca -0.01 -0.58 0.00 0.00 0.07 0.00 0.00 59.36 58.84 2wct h GLU 542 Cb 1.07 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2wct h GLU 542 CO 0.08 1.28 -0.18 1.79 0.07 0.00 0.00 179.01 182.05 2wct h THR 543 N -0.05 0.00 -0.78 -1.06 1.35 -1.39 -3.47 112.91 107.52 2wct h THR 543 Ca -0.33 -0.56 -0.33 0.00 -0.55 0.00 0.00 66.41 64.64 2wct h THR 543 Cb 1.97 1.44 -0.13 0.00 -1.73 0.00 0.00 68.15 69.70 2wct h THR 543 CO 0.13 0.00 -0.30 -1.14 -0.25 0.00 0.00 175.52 173.96 2wct n ARG 544 N -2.34 -1.16 -1.39 4.72 3.00 -0.64 -4.99 116.66 113.86 2wct n ARG 544 Ca 0.05 1.07 -0.31 0.00 -0.00 0.00 0.00 57.85 58.66 2wct n ARG 544 Cb 0.45 -5.28 0.08 0.00 0.00 0.00 0.00 32.46 27.71 2wct n ARG 544 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wct s LYS 545 N -3.38 2.47 0.24 -0.14 1.02 -1.21 -4.84 119.74 113.89 2wct s LYS 545 Ca 0.00 1.04 -0.29 0.00 0.02 0.00 0.00 55.97 56.74 2wct s LYS 545 Cb 0.00 -1.93 -0.09 0.00 -0.52 0.00 0.00 37.83 35.29 2wct s LYS 545 CO 0.00 -1.46 0.91 -1.17 -0.92 0.00 0.00 175.35 172.72 2wct s LEU 546 N -5.78 4.61 -0.31 3.17 2.96 -0.63 -4.27 118.68 118.43 2wct s LEU 546 Ca 0.60 1.89 0.03 0.00 -0.22 0.00 0.00 54.13 56.43 2wct s LEU 546 Cb -0.16 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 43.01 2wct s LEU 546 CO 0.56 0.14 -0.02 -0.32 -1.32 0.00 0.00 176.35 175.39 2wct s MET 547 N -1.27 1.83 -0.14 1.98 -2.45 0.03 -1.79 119.30 117.49 2wct s MET 547 Ca 0.41 -1.64 -0.29 0.00 -1.25 0.00 0.00 55.69 52.92 2wct s MET 547 Cb -0.25 -3.07 -0.02 0.00 1.25 0.00 0.00 34.83 32.74 2wct s MET 547 CO 0.30 -0.78 1.32 -2.14 1.05 0.00 0.00 175.02 174.78 2wct s PRO 548 N 0.99 4.23 -0.05 4.11 0.02 -1.23 -0.51 135.00 142.56 2wct s PRO 548 Ca 0.02 1.74 0.02 0.00 0.02 0.00 0.00 61.00 62.81 2wct s PRO 548 Cb -0.19 -3.79 0.01 0.00 0.02 0.00 0.00 34.50 30.55 2wct s PRO 548 CO -0.07 -0.72 -0.10 0.42 -0.33 0.00 0.00 177.00 176.21 2wct s ILE 549 N 3.53 0.94 -0.26 2.83 -1.09 0.22 -4.58 121.20 122.79 2wct s ILE 549 Ca 0.58 -0.38 -0.29 0.00 -2.23 0.00 0.00 60.65 58.32 2wct s ILE 549 Cb -0.24 -0.87 0.00 0.00 -1.58 0.00 0.00 42.46 39.77 2wct s ILE 549 CO 0.17 0.31 1.20 0.00 -1.23 0.00 0.00 174.94 175.38 2wct h MET 551 N 8.44 0.00 -0.32 0.00 2.86 -1.02 -3.02 114.93 121.87 2wct h MET 551 Ca -0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2wct h MET 551 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2wct h MET 551 CO 1.01 0.16 0.00 -0.25 1.06 0.00 0.00 176.91 178.89 2wct n ASP 552 N -4.12 1.00 -4.20 1.22 8.00 -1.26 -4.60 116.55 112.59 2wct n ASP 552 Ca -0.02 -2.04 -0.40 0.00 0.71 0.00 0.00 54.79 53.03 2wct n ASP 552 Cb 0.23 -0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 41.06 2wct n ASP 552 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wct s VAL 553 N -1.71 4.25 0.28 2.53 1.01 -1.14 -4.97 120.40 120.66 2wct s VAL 553 Ca 0.09 -2.19 0.01 0.00 0.00 0.00 0.00 61.98 59.90 2wct s VAL 553 Cb 0.05 -3.77 0.28 0.00 0.00 0.00 0.00 36.38 32.95 2wct s VAL 553 CO 0.06 -0.84 1.83 0.03 0.00 0.00 0.00 175.10 176.18 2wct h ARG 554 N 7.98 0.97 -0.67 2.72 3.08 -1.89 -1.63 114.38 124.94 2wct h ARG 554 Ca -0.11 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2wct h ARG 554 Cb 1.04 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 2wct h ARG 554 CO 0.80 0.64 0.38 0.00 -1.07 0.00 0.00 179.97 180.71 2wct h ALA 555 N 1.54 0.86 -0.20 0.04 0.00 -1.98 -1.78 119.26 117.75 2wct h ALA 555 Ca 0.50 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.17 2wct h ALA 555 Cb 0.50 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2wct h ALA 555 CO -0.27 0.37 -0.42 0.82 0.00 0.00 0.00 179.25 179.74 2wct h ILE 556 N 0.92 1.33 -0.47 0.00 2.04 -1.85 -3.11 117.51 116.36 2wct h ILE 556 Ca 0.24 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 2wct h ILE 556 Cb 0.03 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2wct h ILE 556 CO -0.04 0.51 0.26 0.24 0.00 0.00 0.00 178.15 179.12 2wct h MET 557 N 0.32 0.65 -0.33 2.37 2.86 -1.17 -1.80 114.93 117.81 2wct h MET 557 Ca 0.00 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2wct h MET 557 Cb 1.03 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 2wct h MET 557 CO 0.09 0.48 0.01 0.00 1.06 0.00 0.00 176.91 178.55 2wct h ALA 558 N 1.63 0.45 -0.57 6.32 0.00 -1.35 -1.88 119.26 123.86 2wct h ALA 558 Ca 0.17 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2wct h ALA 558 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2wct h ALA 558 CO -0.03 0.20 0.13 1.15 0.00 0.00 0.00 179.25 180.70 2wct h THR 559 N 0.39 1.24 -0.21 0.00 2.02 -1.39 -2.06 112.91 112.89 2wct h THR 559 Ca 0.09 -0.87 -0.06 0.00 0.77 0.00 0.00 66.41 66.35 2wct h THR 559 Cb 0.44 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2wct h THR 559 CO 0.02 0.33 -0.08 0.40 0.37 0.00 0.00 175.52 176.55 2wct h ILE 560 N 0.85 1.30 0.00 3.11 2.04 -1.26 -1.81 117.51 121.74 2wct h ILE 560 Ca 0.18 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 2wct h ILE 560 Cb 0.33 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2wct h ILE 560 CO 0.00 0.34 -0.06 1.56 0.00 0.00 0.00 178.15 180.00 2wct h GLN 561 N 0.14 0.00 0.15 2.37 4.20 -1.23 0.22 115.11 120.96 2wct h GLN 561 Ca 0.05 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.43 2wct h GLN 561 Cb 0.56 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 2wct h GLN 561 CO 0.03 0.06 -1.69 0.00 -0.67 0.00 0.00 178.83 176.55 2wct h ARG 562 N 0.00 0.32 0.19 1.46 -0.00 -1.30 -3.21 114.38 111.83 2wct h ARG 562 Ca -0.00 -0.54 -0.34 0.00 -0.50 0.00 0.00 59.98 58.60 2wct h ARG 562 Cb 0.57 0.20 0.01 0.00 0.00 0.00 0.00 29.97 30.75 2wct h ARG 562 CO 0.01 1.20 -1.65 -0.22 0.00 0.00 0.00 179.97 179.31 2wct h LYS 563 N 0.09 0.40 -3.11 0.04 3.64 -1.26 -3.39 116.57 112.97 2wct h LYS 563 Ca -0.31 -0.68 -0.64 0.00 -1.27 0.00 0.00 60.65 57.74 2wct h LYS 563 Cb 2.06 0.25 -0.40 0.00 -0.41 0.00 0.00 32.23 33.73 2wct h LYS 563 CO 0.16 1.31 -0.43 0.66 -2.27 0.00 0.00 179.45 178.88 2wct n TYR 564 N -3.59 3.55 -2.35 1.91 4.01 0.75 -5.08 117.16 116.35 2wct n TYR 564 Ca -0.21 -4.25 -0.39 0.00 -0.16 0.00 0.00 57.90 52.88 2wct n TYR 564 Cb 1.08 -0.77 -0.03 0.00 -0.31 0.00 0.00 39.34 39.31 2wct n TYR 564 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2wct s LYS 565 N -1.51 4.31 0.00 -0.72 1.02 -1.21 -3.43 119.74 118.20 2wct s LYS 565 Ca 0.26 1.85 0.00 0.00 0.02 0.00 0.00 55.97 58.10 2wct s LYS 565 Cb -0.04 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 2wct s LYS 565 CO -0.15 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 2wct n GLY 566 N 0.82 0.66 3.76 -3.33 0.00 -1.26 -5.04 105.19 100.79 2wct n GLY 566 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2wct n GLY 566 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wct s ILE 567 N -2.05 3.43 -0.76 -0.61 2.07 -1.22 -5.00 121.20 117.05 2wct s ILE 567 Ca 0.00 1.43 -0.09 0.00 -1.41 0.00 0.00 60.65 60.58 2wct s ILE 567 Cb 0.00 -3.91 0.20 0.00 0.13 0.00 0.00 42.46 38.88 2wct s ILE 567 CO 0.00 0.34 0.65 -0.75 -1.91 0.00 0.00 174.94 173.27 2wct s LYS 568 N -1.42 3.21 -0.09 3.50 2.20 -1.26 -5.04 119.74 120.83 2wct s LYS 568 Ca 0.45 -2.57 -0.29 0.00 -0.36 0.00 0.00 55.97 53.20 2wct s LYS 568 Cb -0.33 -4.14 -0.05 0.00 -1.51 0.00 0.00 37.83 31.80 2wct s LYS 568 CO 0.42 -1.24 1.75 0.42 -0.36 0.00 0.00 175.35 176.33 2wct s ILE 569 N -0.07 3.46 0.06 5.43 1.01 -1.26 -4.97 121.20 124.86 2wct s ILE 569 Ca 0.19 0.55 -0.05 0.00 0.00 0.00 0.00 60.65 61.33 2wct s ILE 569 Cb -0.14 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 2wct s ILE 569 CO -0.07 -0.11 0.08 -1.58 0.00 0.00 0.00 174.94 173.26 2wct s GLN 570 N 4.48 0.68 0.22 2.79 0.74 -1.26 -5.14 119.66 122.16 2wct s GLN 570 Ca 0.78 -1.00 -0.30 0.00 0.05 0.00 0.00 55.36 54.89 2wct s GLN 570 Cb -0.33 0.26 -0.10 0.00 1.10 0.00 0.00 33.01 33.94 2wct s GLN 570 CO 0.32 -0.17 1.43 -2.00 -0.55 0.00 0.00 175.29 174.32 2wct s GLU 571 N -3.51 4.28 0.81 1.67 2.12 -1.26 -4.50 118.70 118.30 2wct s GLU 571 Ca 0.03 2.25 0.00 0.00 0.36 0.00 0.00 54.97 57.61 2wct s GLU 571 Cb 0.04 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.30 2wct s GLU 571 CO -0.09 -0.42 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 2wct n GLY 572 N 2.49 -0.09 3.69 -1.50 0.00 -0.24 -4.90 105.19 104.64 2wct n GLY 572 Ca 0.08 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2wct n GLY 572 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wct s ILE 573 N 0.00 3.88 -0.31 -0.61 -1.09 -1.26 -1.04 121.20 120.78 2wct s ILE 573 Ca 0.00 1.25 -0.02 0.00 -2.23 0.00 0.00 60.65 59.65 2wct s ILE 573 Cb 0.00 -3.80 0.10 0.00 -1.58 0.00 0.00 42.46 37.18 2wct s ILE 573 CO 0.00 -0.00 0.11 -0.69 -1.23 0.00 0.00 174.94 173.13 2wct s VAL 574 N 2.34 0.65 -0.56 2.92 1.01 -0.16 -5.00 120.40 121.60 2wct s VAL 574 Ca 0.61 -1.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 2wct s VAL 574 Cb -0.29 -1.50 0.07 0.00 0.00 0.00 0.00 36.38 34.66 2wct s VAL 574 CO 0.25 -0.69 0.74 -0.62 0.00 0.00 0.00 175.10 174.78 2wct s ASP 575 N 1.72 6.22 -0.40 3.32 -1.08 -1.26 -1.00 116.67 124.18 2wct s ASP 575 Ca 0.10 -1.01 0.06 0.00 -0.52 0.00 0.00 52.55 51.18 2wct s ASP 575 Cb -0.17 -2.33 0.17 0.00 -1.46 0.00 0.00 42.92 39.13 2wct s ASP 575 CO -0.28 -1.09 0.53 -0.47 0.52 0.00 0.00 175.17 174.39 2wct s TYR 576 N 3.04 -1.12 0.00 -5.34 6.14 -1.26 -4.94 117.35 113.87 2wct s TYR 576 Ca 0.17 -0.27 0.00 0.00 0.64 0.00 0.00 57.07 57.61 2wct s TYR 576 Cb -0.19 0.02 0.00 0.00 0.42 0.00 0.00 41.96 42.20 2wct s TYR 576 CO 0.11 -1.10 0.00 0.41 0.64 0.00 0.00 175.55 175.61 2wct n GLY 577 N 4.22 1.68 3.36 8.97 0.00 -1.26 -4.79 105.19 117.37 2wct n GLY 577 Ca 0.12 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2wct n GLY 577 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wct s VAL 578 N 0.00 2.39 -0.99 1.61 1.01 -1.26 -4.65 120.40 118.51 2wct s VAL 578 Ca 0.00 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 60.77 2wct s VAL 578 Cb 0.00 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.55 2wct s VAL 578 CO 0.00 0.58 1.45 -0.13 0.00 0.00 0.00 175.10 177.00 2wct s ARG 579 N -0.56 3.51 0.35 2.72 0.52 -1.26 -4.32 118.95 119.91 2wct s ARG 579 Ca 0.08 -1.00 -0.13 0.00 -0.52 0.00 0.00 55.73 54.16 2wct s ARG 579 Cb -0.11 -5.23 -0.08 0.00 0.52 0.00 0.00 34.95 30.06 2wct s ARG 579 CO 0.00 -2.24 0.75 -0.06 0.02 0.00 0.00 175.30 173.76 2wct s PHE 580 N 5.24 3.41 -0.36 -0.53 0.08 -0.17 -0.79 117.98 124.86 2wct s PHE 580 Ca 0.46 1.14 0.01 0.00 0.12 0.00 0.00 56.93 58.66 2wct s PHE 580 Cb -0.01 -2.49 0.11 0.00 -0.57 0.00 0.00 43.02 40.06 2wct s PHE 580 CO -0.07 0.02 0.13 0.12 -0.10 0.00 0.00 175.22 175.32 2wct s PHE 581 N -2.14 2.36 -0.29 0.36 5.36 0.33 -0.98 117.98 122.99 2wct s PHE 581 Ca 0.53 -2.29 -0.24 0.00 -0.96 0.00 0.00 56.93 53.96 2wct s PHE 581 Cb -0.10 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.46 2wct s PHE 581 CO 0.23 -0.87 0.84 -0.06 -1.46 0.00 0.00 175.22 173.90 2wct s PHE 582 N 1.03 3.23 0.25 10.12 0.08 -0.20 -0.61 117.98 131.88 2wct s PHE 582 Ca 0.12 0.97 0.12 0.00 0.12 0.00 0.00 56.93 58.26 2wct s PHE 582 Cb -0.20 -3.21 -0.05 0.00 -0.57 0.00 0.00 43.02 38.99 2wct s PHE 582 CO -0.13 -0.53 -0.19 1.52 -0.10 0.00 0.00 175.22 175.78 2wct s TYR 583 N 3.00 2.33 0.32 0.36 -0.85 -0.71 -1.08 117.35 120.73 2wct s TYR 583 Ca 0.35 -0.33 0.07 0.00 -0.52 0.00 0.00 57.07 56.64 2wct s TYR 583 Cb -0.14 -1.06 -0.03 0.00 0.38 0.00 0.00 41.96 41.11 2wct s TYR 583 CO 0.11 0.64 0.31 0.95 -1.52 0.00 0.00 175.55 176.04 2wct s THR 584 N -2.22 3.75 -1.50 -3.49 -4.23 -1.26 -0.32 115.64 106.37 2wct s THR 584 Ca 0.27 -1.32 0.30 0.00 -1.18 0.00 0.00 61.69 59.76 2wct s THR 584 Cb -0.06 -3.26 0.50 0.00 1.34 0.00 0.00 72.50 71.03 2wct s THR 584 CO 0.14 -0.20 1.99 -1.54 -0.54 0.00 0.00 174.62 174.47 2wct n SER 585 N -1.39 0.15 -0.01 3.99 3.41 -1.26 -3.17 113.62 115.35 2wct n SER 585 Ca -0.02 -0.30 -0.17 0.00 -0.26 0.00 0.00 58.87 58.12 2wct n SER 585 Cb 0.59 -0.20 -0.13 0.00 -0.26 0.00 0.00 64.21 64.20 2wct n SER 585 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2wct h LYS 586 N 0.17 0.17 -6.50 4.33 3.64 -1.94 -3.45 116.57 112.99 2wct h LYS 586 Ca 0.00 -0.27 -0.53 0.00 -1.27 0.00 0.00 60.65 58.58 2wct h LYS 586 Cb 0.30 0.10 0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2wct h LYS 586 CO 0.00 1.10 0.75 -2.00 -2.27 0.00 0.00 179.45 177.04 2wct s GLU 587 N -2.47 4.31 0.67 1.90 2.12 -1.19 -4.99 118.70 119.05 2wct s GLU 587 Ca -0.16 2.04 -0.17 0.00 0.36 0.00 0.00 54.97 57.04 2wct s GLU 587 Cb -0.01 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 31.04 2wct s GLU 587 CO 0.76 -0.47 1.26 -2.30 -0.54 0.00 0.00 175.26 173.97 2wct n PRO 588 N 4.37 0.96 -0.23 4.30 -0.02 -1.26 -4.81 135.00 138.31 2wct n PRO 588 Ca 0.12 0.39 -0.07 0.00 -2.02 0.00 0.00 63.50 61.92 2wct n PRO 588 Cb 0.43 -2.50 0.04 0.00 -0.02 0.00 0.00 33.50 31.45 2wct n PRO 588 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wct h VAL 589 N 0.30 1.23 0.00 -1.45 2.07 -1.94 -1.85 116.25 114.61 2wct h VAL 589 Ca -0.50 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 2wct h VAL 589 Cb 1.34 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2wct h VAL 589 CO 0.52 0.27 -0.21 0.00 0.02 0.00 0.00 177.57 178.17 2wct h ALA 590 N 1.13 1.42 -0.00 1.67 0.00 -1.92 -0.66 119.26 120.89 2wct h ALA 590 Ca 0.22 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 2wct h ALA 590 Cb 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2wct h ALA 590 CO -0.02 0.26 -0.95 1.03 0.00 0.00 0.00 179.25 179.57 2wct h SER 591 N 0.00 0.60 -0.07 0.00 0.87 -1.78 -2.24 113.55 110.93 2wct h SER 591 Ca -0.00 -0.47 -0.03 0.00 -1.23 0.00 0.00 61.79 60.05 2wct h SER 591 Cb 0.44 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2wct h SER 591 CO 0.03 1.27 -0.08 0.40 -0.53 0.00 0.00 176.83 177.92 2wct h ILE 592 N 0.26 1.38 -1.00 2.23 2.04 -0.87 -2.59 117.51 118.96 2wct h ILE 592 Ca -0.09 -1.28 0.06 0.00 1.00 0.00 0.00 64.86 64.56 2wct h ILE 592 Cb 1.58 2.09 -0.07 0.00 -0.74 0.00 0.00 36.82 39.68 2wct h ILE 592 CO 0.17 0.35 0.65 0.40 0.00 0.00 0.00 178.15 179.72 2wct h ILE 593 N -0.28 1.10 -0.75 -0.67 2.04 -1.21 -1.16 117.51 116.58 2wct h ILE 593 Ca 0.01 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 2wct h ILE 593 Cb 0.61 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 2wct h ILE 593 CO 0.02 0.22 0.24 0.74 0.00 0.00 0.00 178.15 179.37 2wct h THR 594 N 1.19 1.26 -0.13 -0.27 2.02 -1.41 -1.17 112.91 114.41 2wct h THR 594 Ca 0.43 -0.91 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 2wct h THR 594 Cb 0.14 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2wct h THR 594 CO -0.17 0.36 -0.30 0.11 0.37 0.00 0.00 175.52 175.90 2wct h LYS 595 N 1.12 0.24 0.02 6.66 1.57 -0.92 -2.30 116.57 122.97 2wct h LYS 595 Ca 0.24 -0.09 -0.24 0.00 -1.87 0.00 0.00 60.65 58.69 2wct h LYS 595 Cb 0.30 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2wct h LYS 595 CO -0.01 0.53 -1.22 -0.07 -0.57 0.00 0.00 179.45 178.11 2wct h LEU 596 N 0.22 0.08 -0.51 2.94 3.38 -0.91 -2.94 115.31 117.55 2wct h LEU 596 Ca 0.03 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 2wct h LEU 596 Cb 0.64 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2wct h LEU 596 CO 0.05 1.08 -0.68 0.78 0.09 0.00 0.00 178.44 179.76 2wct h ASN 597 N 0.01 0.35 -0.46 -0.43 2.35 -1.19 -1.91 115.58 114.31 2wct h ASN 597 Ca -0.10 -0.22 -0.09 0.00 -0.55 0.00 0.00 56.30 55.34 2wct h ASN 597 Cb 1.86 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 40.11 2wct h ASN 597 CO 0.13 0.93 -0.06 -1.28 -1.65 0.00 0.00 177.43 175.50 2wct h SER 598 N 0.21 0.85 0.51 5.81 0.87 -1.49 -2.99 113.55 117.32 2wct h SER 598 Ca -0.02 -0.34 -0.10 0.00 -1.23 0.00 0.00 61.79 60.11 2wct h SER 598 Cb 1.22 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2wct h SER 598 CO 0.11 0.98 -0.46 -0.07 -0.53 0.00 0.00 176.83 176.86 2wct h LEU 599 N 0.69 0.00 -3.10 2.23 4.07 -1.46 -3.48 115.31 114.26 2wct h LEU 599 Ca 0.12 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.57 2wct h LEU 599 Cb 0.59 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.24 2wct h LEU 599 CO 0.04 0.46 -0.82 -3.20 -1.08 0.00 0.00 178.44 173.83 2wct n ASN 600 N -3.91 -1.57 -4.80 -0.43 2.85 -0.72 -4.98 115.26 101.68 2wct n ASN 600 Ca -0.01 -1.08 -0.22 0.00 -0.11 0.00 0.00 54.58 53.16 2wct n ASN 600 Cb 0.49 -1.31 -0.05 0.00 1.24 0.00 0.00 39.78 40.16 2wct n ASN 600 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2wct s GLU 601 N -6.89 2.69 0.20 1.20 2.02 -1.26 -4.93 118.70 111.74 2wct s GLU 601 Ca 0.23 -1.27 -0.30 0.00 0.02 0.00 0.00 54.97 53.66 2wct s GLU 601 Cb -0.13 -2.43 -0.08 0.00 0.10 0.00 0.00 34.13 31.59 2wct s GLU 601 CO 0.82 0.22 0.99 -2.14 0.02 0.00 0.00 175.26 175.18 2wct s PRO 602 N -3.89 4.74 0.27 0.39 0.02 -1.26 -4.07 135.00 131.20 2wct s PRO 602 Ca 0.37 1.56 0.11 0.00 0.02 0.00 0.00 61.00 63.06 2wct s PRO 602 Cb -0.06 -3.29 -0.05 0.00 0.02 0.00 0.00 34.50 31.12 2wct s PRO 602 CO 0.25 0.32 -0.13 -0.51 -0.33 0.00 0.00 177.00 176.59 2wct s LEU 603 N -0.76 2.79 -0.26 -5.54 1.43 0.95 -1.60 118.68 115.70 2wct s LEU 603 Ca 0.45 -0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 2wct s LEU 603 Cb -0.27 -1.31 0.09 0.00 0.03 0.00 0.00 46.19 44.73 2wct s LEU 603 CO 0.33 0.03 0.13 0.54 0.23 0.00 0.00 176.35 177.61 2wct s VAL 604 N -2.43 -0.10 0.28 -1.59 0.11 -0.74 -0.48 120.40 115.45 2wct s VAL 604 Ca 0.30 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.78 2wct s VAL 604 Cb -0.06 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2wct s VAL 604 CO 0.17 -0.60 0.25 0.28 -3.33 0.00 0.00 175.10 171.87 2wct s THR 605 N 2.13 0.00 0.32 5.04 -1.32 -0.60 -3.47 115.64 117.74 2wct s THR 605 Ca 0.07 -1.93 0.07 0.00 -1.21 0.00 0.00 61.69 58.69 2wct s THR 605 Cb -0.16 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 2wct s THR 605 CO -0.30 0.00 0.37 -0.04 -2.21 0.00 0.00 174.62 172.44 2wct s MET 606 N -3.70 2.96 -0.25 7.08 -1.94 -1.26 -0.57 119.30 121.63 2wct s MET 606 Ca 0.38 -1.12 -0.29 0.00 -1.71 0.00 0.00 55.69 52.95 2wct s MET 606 Cb 0.04 -2.67 -0.06 0.00 2.01 0.00 0.00 34.83 34.15 2wct s MET 606 CO 0.20 0.12 2.22 -2.30 -0.01 0.00 0.00 175.02 175.26 2wct n PRO 607 N -1.49 1.79 -1.68 2.03 -0.02 -1.26 -4.84 135.00 129.53 2wct n PRO 607 Ca -0.02 0.48 -0.48 0.00 -2.02 0.00 0.00 63.50 61.46 2wct n PRO 607 Cb 0.59 -3.10 -0.05 0.00 -0.02 0.00 0.00 33.50 30.92 2wct n PRO 607 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wct n ILE 608 N 7.67 0.52 0.00 4.25 5.41 -1.26 -2.01 119.36 133.94 2wct n ILE 608 Ca 0.32 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.98 2wct n ILE 608 Cb 0.41 -1.83 0.00 0.00 -0.71 0.00 0.00 39.64 37.50 2wct n ILE 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wct n GLY 609 N 4.30 2.05 3.66 7.39 0.00 -1.26 -4.78 105.19 116.55 2wct n GLY 609 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2wct n GLY 609 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wct s TYR 610 N -2.48 1.54 0.00 1.61 5.04 -0.85 -1.39 117.35 120.82 2wct s TYR 610 Ca 0.00 -0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.42 2wct s TYR 610 Cb 0.00 -4.12 0.00 0.00 0.35 0.00 0.00 41.96 38.19 2wct s TYR 610 CO 0.00 -4.92 0.00 0.28 -1.34 0.00 0.00 175.55 169.57 2wct n VAL 611 N 5.54 0.00 -0.33 3.14 0.31 -0.06 -4.54 118.33 122.39 2wct n VAL 611 Ca 0.19 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.66 2wct n VAL 611 Cb 0.42 0.00 0.36 0.00 -0.91 0.00 0.00 33.84 33.71 2wct n VAL 611 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2wct h THR 612 N 0.00 0.70 -0.21 2.52 1.35 -1.87 -2.13 112.91 113.28 2wct h THR 612 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2wct h THR 612 Cb 0.00 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.37 2wct h THR 612 CO 0.00 0.13 0.00 1.41 -0.25 0.00 0.00 175.52 176.81 2wct n HIS 613 N -4.71 0.27 -0.36 4.73 8.25 -0.49 -4.78 115.22 118.13 2wct n HIS 613 Ca 0.23 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2wct n HIS 613 Cb 0.61 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.70 2wct n HIS 613 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wct n GLY 614 N 0.67 0.82 3.84 -1.41 0.00 -0.80 -5.03 105.19 103.27 2wct n GLY 614 Ca 0.10 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2wct n GLY 614 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wct s PHE 615 N -2.00 3.59 0.56 1.61 0.08 -1.15 -4.85 117.98 115.82 2wct s PHE 615 Ca 0.00 1.11 0.03 0.00 0.12 0.00 0.00 56.93 58.18 2wct s PHE 615 Cb 0.00 -2.41 0.05 0.00 -0.57 0.00 0.00 43.02 40.09 2wct s PHE 615 CO 0.00 0.39 0.78 0.54 -0.10 0.00 0.00 175.22 176.83 2wct s ASN 616 N -1.78 5.17 0.26 1.36 4.22 -1.26 -0.88 114.94 122.03 2wct s ASN 616 Ca 0.40 -0.19 -0.02 0.00 -2.14 0.00 0.00 52.86 50.91 2wct s ASN 616 Cb -0.15 -0.62 0.52 0.00 1.28 0.00 0.00 41.25 42.28 2wct s ASN 616 CO 0.20 -1.22 1.74 0.25 -2.04 0.00 0.00 177.10 176.03 2wct h LEU 617 N 0.07 0.40 0.06 3.54 5.85 -1.99 -1.68 115.31 121.56 2wct h LEU 617 Ca -0.40 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.44 2wct h LEU 617 Cb 1.29 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 2wct h LEU 617 CO 0.48 0.15 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.51 2wct h GLU 618 N 0.52 -0.26 -0.77 1.25 4.81 -1.95 -1.87 114.58 116.30 2wct h GLU 618 Ca 0.45 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.65 2wct h GLU 618 Cb 0.68 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 2wct h GLU 618 CO -0.40 -0.17 0.28 0.93 -0.73 0.00 0.00 179.01 178.92 2wct h GLU 619 N -0.27 1.18 -0.07 1.92 5.08 -1.81 -2.82 114.58 117.79 2wct h GLU 619 Ca 0.03 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 2wct h GLU 619 Cb 0.30 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2wct h GLU 619 CO -0.10 0.98 -0.40 0.00 -1.00 0.00 0.00 179.01 178.49 2wct h ALA 620 N 1.15 1.19 -0.27 3.43 0.00 -1.23 -2.92 119.26 120.60 2wct h ALA 620 Ca 0.25 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2wct h ALA 620 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2wct h ALA 620 CO -0.01 0.56 -0.27 0.00 0.00 0.00 0.00 179.25 179.53 2wct h ALA 621 N 1.46 1.03 -0.53 0.00 0.00 -1.10 -1.87 119.26 118.25 2wct h ALA 621 Ca 0.01 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 2wct h ALA 621 Cb 0.77 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2wct h ALA 621 CO 0.06 0.58 -0.11 0.00 0.00 0.00 0.00 179.25 179.78 2wct h ARG 622 N 0.47 0.99 -0.01 0.00 3.08 -1.33 -2.88 114.38 114.70 2wct h ARG 622 Ca 0.06 -0.36 -0.13 0.00 0.07 0.00 0.00 59.98 59.62 2wct h ARG 622 Cb 0.71 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 2wct h ARG 622 CO 0.05 1.04 -0.62 0.00 -1.07 0.00 0.00 179.97 179.37 2wct h MET 624 N 0.04 0.00 -0.45 0.00 2.86 -1.13 -2.82 114.93 113.43 2wct h MET 624 Ca -0.01 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2wct h MET 624 Cb 1.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 2wct h MET 624 CO 0.08 0.07 0.30 0.00 1.06 0.00 0.00 176.91 178.42 2wct h ARG 625 N 0.00 0.56 0.00 1.72 3.08 -1.47 -1.38 114.38 116.88 2wct h ARG 625 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2wct h ARG 625 Cb 0.49 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2wct h ARG 625 CO 0.01 0.37 0.00 0.43 -1.07 0.00 0.00 179.97 179.71 2wct n SER 626 N -4.47 0.00 -4.60 7.04 7.64 -1.06 -4.72 113.62 113.45 2wct n SER 626 Ca 0.04 -0.32 -0.43 0.00 1.01 0.00 0.00 58.87 59.17 2wct n SER 626 Cb 0.08 -0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 2wct n SER 626 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2wct s LEU 627 N -2.39 3.95 -0.05 -3.43 2.96 -0.52 -4.90 118.68 114.29 2wct s LEU 627 Ca 0.30 0.50 0.16 0.00 -0.22 0.00 0.00 54.13 54.86 2wct s LEU 627 Cb 0.18 -3.30 -0.21 0.00 0.50 0.00 0.00 46.19 43.35 2wct s LEU 627 CO 0.37 -0.95 0.53 0.54 -1.32 0.00 0.00 176.35 175.52 2wct n ARG 628 N 7.00 0.65 -2.19 1.98 1.74 -1.26 -4.93 116.66 119.65 2wct n ARG 628 Ca 0.08 0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.89 2wct n ARG 628 Cb 0.48 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 2wct n ARG 628 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wct s ALA 629 N -2.74 3.57 0.02 7.54 0.00 -1.26 -4.93 121.76 123.96 2wct s ALA 629 Ca -0.06 1.11 -0.36 0.00 0.00 0.00 0.00 51.96 52.65 2wct s ALA 629 Cb 0.08 -3.52 -0.15 0.00 0.00 0.00 0.00 23.12 19.53 2wct s ALA 629 CO 0.83 -0.59 1.54 -0.35 0.00 0.00 0.00 175.76 177.19 2wct n PRO 630 N 3.51 1.52 -3.96 0.00 -0.04 -1.26 -4.81 135.00 129.97 2wct n PRO 630 Ca 0.10 0.55 -0.09 0.00 -0.04 0.00 0.00 63.50 64.02 2wct n PRO 630 Cb 0.42 -2.26 -0.10 0.00 -0.04 0.00 0.00 33.50 31.52 2wct n PRO 630 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wct s ALA 631 N 1.56 0.03 -0.37 0.55 0.00 -1.26 -0.04 121.76 122.23 2wct s ALA 631 Ca 0.86 -0.57 -0.07 0.00 0.00 0.00 0.00 51.96 52.18 2wct s ALA 631 Cb -0.87 0.19 0.06 0.00 0.00 0.00 0.00 23.12 22.49 2wct s ALA 631 CO 0.48 -0.24 0.17 0.08 0.00 0.00 0.00 175.76 176.25 2wct s VAL 632 N -2.09 3.91 -0.26 0.00 1.01 0.37 -4.69 120.40 118.65 2wct s VAL 632 Ca -0.10 -1.30 -0.17 0.00 0.00 0.00 0.00 61.98 60.42 2wct s VAL 632 Cb -0.05 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2wct s VAL 632 CO -0.03 -0.34 0.47 -0.69 0.00 0.00 0.00 175.10 174.52 2wct s VAL 633 N 1.39 5.11 -0.21 2.92 1.01 -0.20 -1.55 120.40 128.87 2wct s VAL 633 Ca 0.01 0.79 -0.09 0.00 0.00 0.00 0.00 61.98 62.69 2wct s VAL 633 Cb -0.21 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2wct s VAL 633 CO 0.02 0.12 0.10 -0.55 0.00 0.00 0.00 175.10 174.79 2wct s SER 634 N 1.52 5.78 0.31 3.32 0.15 0.26 -0.75 113.70 124.29 2wct s SER 634 Ca 0.19 0.08 0.08 0.00 0.70 0.00 0.00 55.95 57.01 2wct s SER 634 Cb -0.16 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 2wct s SER 634 CO 0.09 0.12 0.12 0.68 1.20 0.00 0.00 173.24 175.46 2wct s VAL 635 N 0.68 3.34 0.00 4.45 -7.23 -0.17 -4.14 120.40 117.33 2wct s VAL 635 Ca 0.05 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 2wct s VAL 635 Cb -0.13 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.81 2wct s VAL 635 CO 0.01 -0.26 0.48 -1.20 -0.31 0.00 0.00 175.10 173.83 2wct n SER 636 N -1.10 0.00 -4.93 4.85 7.64 -1.26 -3.65 113.62 115.18 2wct n SER 636 Ca -0.04 0.48 -0.25 0.00 1.01 0.00 0.00 58.87 60.06 2wct n SER 636 Cb 0.60 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.81 2wct n SER 636 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2wct s SER 637 N -2.16 5.98 0.35 6.43 1.04 -1.26 -4.61 113.70 119.47 2wct s SER 637 Ca 0.00 0.61 0.27 0.00 0.48 0.00 0.00 55.95 57.31 2wct s SER 637 Cb 0.00 -1.87 1.04 0.00 0.10 0.00 0.00 66.02 65.29 2wct s SER 637 CO 0.00 -0.68 1.80 -0.65 0.98 0.00 0.00 173.24 174.69 2wct h PRO 638 N 0.27 0.00 0.00 4.02 0.11 -1.90 -2.55 132.00 131.95 2wct h PRO 638 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 2wct h PRO 638 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2wct h PRO 638 CO 0.60 0.00 -0.28 -0.44 -0.21 0.00 0.00 178.00 177.67 2wct h ASP 639 N 0.00 0.00 1.62 -2.05 3.32 -1.99 -3.18 116.42 114.14 2wct h ASP 639 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2wct h ASP 639 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2wct h ASP 639 CO 0.00 0.28 -0.38 0.00 -1.72 0.00 0.00 179.24 177.42 2wct h ALA 640 N 1.72 0.78 0.07 3.45 0.00 -1.85 -3.35 119.26 120.09 2wct h ALA 640 Ca -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.63 2wct h ALA 640 Cb 1.10 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2wct h ALA 640 CO 0.04 0.40 -0.28 0.28 0.00 0.00 0.00 179.25 179.68 2wct h VAL 641 N 0.00 0.38 -0.19 0.00 2.07 -1.58 0.14 116.25 117.08 2wct h VAL 641 Ca -0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 2wct h VAL 641 Cb 1.25 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2wct h VAL 641 CO 0.04 0.00 -0.16 0.71 0.02 0.00 0.00 177.57 178.18 2wct h THR 642 N -0.47 1.21 0.13 2.57 1.35 -1.75 -1.50 112.91 114.45 2wct h THR 642 Ca 0.04 -0.94 -0.01 0.00 -0.55 0.00 0.00 66.41 64.95 2wct h THR 642 Cb 0.52 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2wct h THR 642 CO -0.20 0.30 -0.06 0.74 -0.25 0.00 0.00 175.52 176.05 2wct h THR 643 N 0.29 1.04 -0.89 6.82 2.02 -1.58 -1.33 112.91 119.27 2wct h THR 643 Ca 0.05 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.49 2wct h THR 643 Cb 0.46 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 2wct h THR 643 CO 0.03 0.18 0.59 0.22 0.37 0.00 0.00 175.52 176.91 2wct h TYR 644 N -0.53 1.12 0.00 3.16 3.20 -0.63 -0.85 116.97 122.44 2wct h TYR 644 Ca -0.02 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 2wct h TYR 644 Cb 0.42 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2wct h TYR 644 CO 0.04 0.71 -0.34 -0.91 -1.64 0.00 0.00 178.16 176.02 2wct h ASN 645 N 1.21 0.00 -0.09 -2.11 2.35 -1.24 -1.37 115.58 114.33 2wct h ASN 645 Ca 0.33 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.98 2wct h ASN 645 Cb -0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.23 2wct h ASN 645 CO -0.07 0.34 -0.31 1.23 -1.65 0.00 0.00 177.43 176.97 2wct h GLY 646 N 1.45 0.42 2.00 2.83 0.00 -0.01 -2.20 103.07 107.55 2wct h GLY 646 Ca -0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.71 2wct h GLY 646 CO 0.04 0.49 -0.36 -0.97 0.00 0.00 0.00 176.54 175.74 2wct h TYR 647 N -0.08 0.00 0.05 5.60 0.05 -1.08 -2.38 116.97 119.13 2wct h TYR 647 Ca -0.01 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.56 2wct h TYR 647 Cb 0.94 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.70 2wct h TYR 647 CO 0.12 0.36 -0.83 1.25 -1.05 0.00 0.00 178.16 178.01 2wct h LEU 648 N 0.00 0.64 -0.09 3.88 5.85 -1.27 -3.38 115.31 120.94 2wct h LEU 648 Ca -0.00 -0.81 -0.11 0.00 0.84 0.00 0.00 57.88 57.80 2wct h LEU 648 Cb 0.74 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2wct h LEU 648 CO 0.05 1.37 -0.38 0.00 -0.34 0.00 0.00 178.44 179.14 2wct h THR 649 N -0.01 1.39 -2.58 1.05 1.03 -1.37 -3.47 112.91 108.95 2wct h THR 649 Ca -0.12 -1.74 -0.24 0.00 -0.01 0.00 0.00 66.41 64.30 2wct h THR 649 Cb 1.54 2.23 0.13 0.00 -1.07 0.00 0.00 68.15 70.98 2wct h THR 649 CO 0.16 0.51 0.04 -1.20 -0.01 0.00 0.00 175.52 175.02 2wct n SER 650 N -4.35 -2.00 -4.77 0.00 7.64 -0.90 -5.04 113.62 104.21 2wct n SER 650 Ca -0.08 -0.85 -0.31 0.00 1.01 0.00 0.00 58.87 58.64 2wct n SER 650 Cb 0.53 -0.63 0.09 0.00 -1.01 0.00 0.00 64.21 63.20 2wct n SER 650 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2wct s SER 651 N -3.23 4.47 0.00 6.43 1.04 -1.26 -4.99 113.70 116.16 2wct s SER 651 Ca 0.44 1.75 0.29 0.00 0.48 0.00 0.00 55.95 58.90 2wct s SER 651 Cb -0.05 -2.46 1.72 0.00 0.10 0.00 0.00 66.02 65.33 2wct s SER 651 CO 0.34 -2.04 2.06 -0.24 0.98 0.00 0.00 173.24 174.34