#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 3.69 0.07 -0.18 1.01 -1.26 -1.50 121.20 123.03 2wct s ILE 390 Ca 0.00 0.49 -0.20 0.00 0.00 0.00 0.00 60.65 60.94 2wct s ILE 390 Cb 0.00 -4.55 -0.11 0.00 0.01 0.00 0.00 42.46 37.80 2wct s ILE 390 CO 0.00 -1.40 1.50 0.50 0.00 0.00 0.00 174.94 175.53 2wct h LYS 391 N 11.28 0.31 -3.29 2.79 1.63 -1.32 -3.47 116.57 124.50 2wct h LYS 391 Ca -0.27 -0.10 -0.03 0.00 -0.85 0.00 0.00 60.65 59.40 2wct h LYS 391 Cb 1.09 -0.03 -0.12 0.00 -0.60 0.00 0.00 32.23 32.57 2wct h LYS 391 CO 1.23 0.52 0.02 0.00 -3.45 0.00 0.00 179.45 177.77 2wct s ALA 392 N -4.98 -1.05 -0.14 5.00 0.00 -1.09 -5.05 121.76 114.45 2wct s ALA 392 Ca -0.14 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.82 2wct s ALA 392 Cb 0.06 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.99 2wct s ALA 392 CO 0.72 -0.73 -0.18 0.00 0.00 0.00 0.00 175.76 175.57 2wct s ILE 394 N 1.02 3.16 -0.27 0.00 1.09 -0.13 -4.95 121.20 121.11 2wct s ILE 394 Ca -0.04 0.62 0.19 0.00 -1.10 0.00 0.00 60.65 60.33 2wct s ILE 394 Cb -0.15 -3.40 0.50 0.00 -1.06 0.00 0.00 42.46 38.35 2wct s ILE 394 CO -0.04 0.00 1.11 -0.90 -0.10 0.00 0.00 174.94 175.01 2wct n ASP 395 N 5.38 2.19 -0.04 3.58 5.68 -1.26 -4.36 116.55 127.71 2wct n ASP 395 Ca 0.15 -2.41 -0.06 0.00 -0.50 0.00 0.00 54.79 51.97 2wct n ASP 395 Cb 0.41 -0.46 -0.04 0.00 -1.14 0.00 0.00 41.12 39.89 2wct n ASP 395 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2wct n LEU 401 N -0.57 2.98 0.07 -2.12 7.94 -1.26 -5.18 117.00 118.86 2wct n LEU 401 Ca 0.14 -0.05 -0.03 0.00 -1.11 0.00 0.00 56.01 54.96 2wct n LEU 401 Cb 0.83 -0.30 0.20 0.00 0.53 0.00 0.00 43.42 44.68 2wct n LEU 401 CO 0.15 0.64 0.65 1.05 -1.11 0.00 0.00 177.39 178.77 2wct h GLU 402 N 0.00 0.33 -0.27 1.96 9.09 -2.00 -2.37 114.58 121.33 2wct h GLU 402 Ca -0.19 -0.15 -0.19 0.00 0.05 0.00 0.00 59.36 58.87 2wct h GLU 402 Cb 1.30 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 2wct h GLU 402 CO -0.03 0.67 -0.59 1.49 0.05 0.00 0.00 179.01 180.60 2wct h GLU 403 N 0.28 0.87 0.00 1.06 4.81 -2.04 -3.23 114.58 116.33 2wct h GLU 403 Ca 0.03 -0.58 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 2wct h GLU 403 Cb 0.81 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 2wct h GLU 403 CO 0.06 1.21 -0.05 1.79 -0.73 0.00 0.00 179.01 181.29 2wct h THR 404 N 0.65 0.10 0.00 0.32 1.35 -1.89 -3.22 112.91 110.23 2wct h THR 404 Ca 0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 2wct h THR 404 Cb 1.20 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 2wct h THR 404 CO 0.13 0.05 0.00 0.11 -0.25 0.00 0.00 175.52 175.56 2wct h LYS 405 N 0.00 0.00 -0.02 4.72 1.57 -1.44 -1.15 116.57 120.25 2wct h LYS 405 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 2wct h LYS 405 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2wct h LYS 405 CO 0.01 0.00 -0.75 0.74 -0.57 0.00 0.00 179.45 178.87 2wct h PHE 406 N 0.00 0.23 0.00 -1.35 0.04 -1.75 -3.18 116.94 110.93 2wct h PHE 406 Ca 0.00 -0.11 -0.09 0.00 2.80 0.00 0.00 57.97 60.57 2wct h PHE 406 Cb 0.08 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 2wct h PHE 406 CO 0.00 0.85 -0.43 -0.07 -0.60 0.00 0.00 178.31 178.06 2wct h LEU 407 N 0.10 0.00 0.00 1.54 -0.00 -1.42 -3.47 115.31 112.06 2wct h LEU 407 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2wct h LEU 407 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 2wct h LEU 407 CO 0.11 0.43 0.00 1.07 -0.00 0.00 0.00 178.44 180.05 2wct n THR 408 N -3.64 0.00 0.00 0.22 5.66 -1.20 -5.11 114.28 110.20 2wct n THR 408 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2wct n THR 408 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2wct n THR 408 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2wct n ASN 409 N 0.00 0.00 -4.77 1.09 2.85 -1.23 -3.79 115.26 109.41 2wct n ASN 409 Ca 0.00 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.08 2wct n ASN 409 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 2wct n ASN 409 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2wct s LYS 410 N 0.00 4.53 0.04 1.20 1.02 -1.26 -4.90 119.74 120.36 2wct s LYS 410 Ca 0.00 1.61 0.08 0.00 0.02 0.00 0.00 55.97 57.69 2wct s LYS 410 Cb 0.00 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 2wct s LYS 410 CO 0.00 0.17 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.85 2wct s LEU 411 N -1.82 2.29 -0.36 3.17 1.43 -0.96 -1.68 118.68 120.76 2wct s LEU 411 Ca 0.48 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 2wct s LEU 411 Cb -0.27 -1.36 0.07 0.00 0.03 0.00 0.00 46.19 44.66 2wct s LEU 411 CO 0.34 0.27 0.13 -0.22 0.23 0.00 0.00 176.35 177.09 2wct s LEU 412 N -1.22 4.58 0.15 1.79 2.96 -0.63 -1.26 118.68 125.05 2wct s LEU 412 Ca 0.12 -1.47 0.04 0.00 -0.22 0.00 0.00 54.13 52.60 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 0.03 -0.40 0.17 -0.76 -1.32 0.00 0.00 176.35 174.07 2wct s LEU 413 N 1.29 3.97 -0.03 -0.68 1.43 0.22 -4.33 118.68 120.55 2wct s LEU 413 Ca 0.01 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 2wct s LEU 413 Cb -0.21 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 2wct s LEU 413 CO -0.00 0.08 -0.25 -0.36 0.23 0.00 0.00 176.35 176.05 2wct s PHE 414 N -1.70 2.39 0.25 0.29 0.08 -1.26 -1.71 117.98 116.32 2wct s PHE 414 Ca 0.32 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.88 2wct s PHE 414 Cb -0.11 -1.54 -0.05 0.00 -0.57 0.00 0.00 43.02 40.75 2wct s PHE 414 CO 0.25 -0.08 0.06 0.00 -0.10 0.00 0.00 175.22 175.35 2wct s ALA 415 N -0.48 1.78 0.44 5.36 0.00 -0.76 -0.58 121.76 127.53 2wct s ALA 415 Ca 0.06 -1.85 0.03 0.00 0.00 0.00 0.00 51.96 50.20 2wct s ALA 415 Cb -0.11 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 0.51 -0.40 0.00 0.00 0.00 175.76 175.49 2wct n ASP 416 N -0.46 1.03 -0.18 0.00 5.68 -0.67 -2.16 116.55 119.80 2wct n ASP 416 Ca -0.02 -1.79 -0.03 0.00 -0.50 0.00 0.00 54.79 52.45 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 -0.19 0.89 -0.03 2.12 1.08 -1.86 -2.39 117.51 117.13 2wct h ILE 417 Ca -0.17 -0.16 -0.03 0.00 -0.39 0.00 0.00 64.86 64.11 2wct h ILE 417 Cb 0.72 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 2wct h ILE 417 CO 0.22 0.08 -0.14 0.78 -0.69 0.00 0.00 178.15 178.40 2wct h ASN 418 N 0.46 0.04 0.00 1.72 2.35 -1.96 -1.44 115.58 116.76 2wct h ASN 418 Ca 0.25 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2wct h ASN 418 Cb 0.21 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2wct h ASN 418 CO -0.21 0.19 0.00 0.61 -1.65 0.00 0.00 177.43 176.37 2wct n GLY 419 N -1.07 0.97 3.71 2.83 0.00 -0.90 -4.67 105.19 106.05 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 -0.40 4.53 0.55 1.61 2.36 -1.26 -4.76 119.74 122.38 2wct s LYS 420 Ca 0.00 1.43 -0.19 0.00 -2.55 0.00 0.00 55.97 54.66 2wct s LYS 420 Cb 0.00 -3.47 -0.05 0.00 -1.05 0.00 0.00 37.83 33.26 2wct s LYS 420 CO 0.00 -0.11 1.10 -0.51 1.55 0.00 0.00 175.35 177.39 2wct s LEU 421 N 1.19 3.69 0.62 5.43 1.43 -1.26 -1.67 118.68 128.10 2wct s LEU 421 Ca 0.52 2.07 -0.16 0.00 -1.03 0.00 0.00 54.13 55.52 2wct s LEU 421 Cb -0.21 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.42 2wct s LEU 421 CO 0.26 -1.19 1.11 -0.31 0.23 0.00 0.00 176.35 176.45 2wct s TYR 422 N -1.96 2.68 0.18 0.29 1.51 0.25 -4.78 117.35 115.52 2wct s TYR 422 Ca 0.70 1.55 -0.16 0.00 -1.01 0.00 0.00 57.07 58.15 2wct s TYR 422 Cb -0.21 -3.19 0.14 0.00 -0.11 0.00 0.00 41.96 38.59 2wct s TYR 422 CO 0.29 -1.58 1.66 1.25 -1.11 0.00 0.00 175.55 176.05 2wct h HIS 423 N 0.44 -0.23 -0.69 2.71 2.76 -1.90 0.25 115.15 118.49 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 0.17 -0.03 0.00 1.55 0.00 0.00 27.41 30.35 2wct h HIS 423 CO 0.54 -0.19 0.25 -0.44 -1.30 0.00 0.00 177.93 176.79 2wct h ASP 424 N 0.01 0.96 1.59 3.26 3.32 -1.93 -2.75 116.42 120.87 2wct h ASP 424 Ca 0.23 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 2wct h ASP 424 Cb 0.34 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2wct h ASP 424 CO -0.47 0.87 -0.27 0.28 -1.72 0.00 0.00 179.24 177.92 2wct h SER 425 N 1.01 0.00 0.25 6.45 0.02 -1.72 -3.24 113.55 116.32 2wct h SER 425 Ca 0.23 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.01 2wct h SER 425 Cb 0.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2wct h SER 425 CO -0.02 0.27 -0.69 -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 -0.24 -3.16 115.11 121.29 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 0.00 178.83 175.96 2wct h ASN 427 N 0.27 0.00 0.84 -0.69 2.35 -1.53 -3.01 115.58 113.82 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 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 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 -6.97 0.81 2.86 -1.59 -3.45 114.93 106.60 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 0.78 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.45 2wct h MET 428 CO 0.04 0.00 0.40 -0.51 1.06 0.00 0.00 176.91 177.90 2wct s LEU 429 N -5.34 4.13 -0.49 1.22 1.43 -1.14 -5.01 118.68 113.47 2wct s LEU 429 Ca 0.02 1.99 0.08 0.00 -1.03 0.00 0.00 54.13 55.19 2wct s LEU 429 Cb 0.09 -4.21 0.31 0.00 0.03 0.00 0.00 46.19 42.41 2wct s LEU 429 CO 0.46 -0.46 0.77 0.54 0.23 0.00 0.00 176.35 177.89 2wct n ARG 430 N -0.10 1.97 -3.57 1.70 5.12 -1.26 -4.93 116.66 115.59 2wct n ARG 430 Ca 0.05 -4.09 -0.23 0.00 -1.93 0.00 0.00 57.85 51.65 2wct n ARG 430 Cb 0.50 -1.90 0.08 0.00 -1.16 0.00 0.00 32.46 29.98 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 0.43 -0.52 3.91 -0.13 0.00 -1.26 -5.02 105.19 102.59 2wct n GLY 431 Ca 0.27 0.23 -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 -6.17 3.60 -0.51 1.61 8.01 -1.26 -5.02 118.70 118.96 2wct s GLU 432 Ca 0.50 0.10 -0.28 0.00 0.01 0.00 0.00 54.97 55.30 2wct s GLU 432 Cb -0.22 -2.50 -0.01 0.00 -4.31 0.00 0.00 34.13 27.09 2wct s GLU 432 CO 0.73 -0.00 1.67 0.34 0.01 0.00 0.00 175.26 178.01 2wct s ASP 433 N -3.68 5.78 -0.45 -0.19 2.15 -1.26 -4.87 116.67 114.14 2wct s ASP 433 Ca 0.46 0.61 0.04 0.00 0.43 0.00 0.00 52.55 54.08 2wct s ASP 433 Cb -0.10 -2.53 0.65 0.00 -0.30 0.00 0.00 42.92 40.64 2wct s ASP 433 CO 0.37 -1.92 1.91 0.23 -0.17 0.00 0.00 175.17 175.58 2wct n MET 434 N 8.74 2.26 0.07 4.34 2.81 -1.26 -4.46 117.12 129.63 2wct n MET 434 Ca 0.18 -3.03 -0.03 0.00 -1.81 0.00 0.00 57.70 53.01 2wct n MET 434 Cb 0.49 -2.17 -0.07 0.00 -0.71 0.00 0.00 33.22 30.76 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 1.05 0.00 0.34 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 2.74 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 65.27 2wct h SER 435 CO 1.11 0.78 -0.12 2.19 -1.14 0.00 0.00 176.83 179.65 2wct h PHE 436 N 0.00 0.00 0.00 3.45 -0.00 -2.01 -2.78 116.94 115.60 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 1.64 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.57 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 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2wct h LEU 437 CO 0.02 0.86 -0.72 1.21 -0.34 0.00 0.00 178.44 179.46 2wct n GLU 438 N -3.33 0.17 0.24 1.25 4.07 -1.11 -4.00 120.64 117.91 2wct n GLU 438 Ca 0.00 0.02 0.12 0.00 -0.06 0.00 0.00 57.16 57.24 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 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 2wct h LYS 439 CO 0.00 0.17 -0.01 -0.25 -2.06 0.00 0.00 179.45 177.30 2wct n ASP 440 N -3.32 1.83 -4.78 0.86 8.00 -1.26 -5.06 116.55 112.82 2wct n ASP 440 Ca 0.00 -2.04 -0.36 0.00 0.71 0.00 0.00 54.79 53.10 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 -1.12 2.95 0.53 2.24 0.00 -1.23 -4.53 121.76 120.60 2wct s ALA 441 Ca 0.04 0.80 -0.13 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 19.77 2wct s ALA 441 CO 0.00 -0.49 0.95 -1.25 0.00 0.00 0.00 175.76 174.97 2wct s PRO 442 N -2.81 3.77 0.33 0.00 0.04 -1.26 -5.08 135.00 129.98 2wct s PRO 442 Ca 0.64 0.74 0.09 0.00 0.04 0.00 0.00 61.00 62.51 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 0.02 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 -0.54 -5.06 117.35 114.40 2wct s TYR 443 Ca 0.55 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.90 2wct s TYR 443 Cb -0.10 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 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 -3.72 3.42 0.02 -0.62 -1.94 -1.26 -4.69 119.30 110.50 2wct s MET 444 Ca 0.35 -0.70 -0.30 0.00 -1.71 0.00 0.00 55.69 53.33 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 0.34 1.62 0.08 -0.01 0.00 0.00 175.02 177.24 2wct s VAL 445 N -2.07 3.31 0.00 -6.03 1.01 -1.26 -2.37 120.40 112.99 2wct s VAL 445 Ca 0.36 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2wct s VAL 445 Cb -0.09 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.88 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 3.99 0.78 3.69 4.51 0.00 0.01 -5.01 105.19 113.16 2wct n GLY 446 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.22 1.61 1.11 -1.00 -4.82 116.67 118.13 2wct s ASP 447 Ca 0.00 1.84 -0.07 0.00 0.18 0.00 0.00 52.55 54.50 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 -0.56 0.05 -0.69 1.18 0.00 0.00 175.17 175.15 2wct s VAL 448 N 2.03 4.34 -0.14 -1.27 1.01 -1.26 -1.80 120.40 123.32 2wct s VAL 448 Ca 0.56 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.39 2wct s VAL 448 Cb -0.25 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2wct s VAL 448 CO 0.23 0.38 -0.19 -0.63 0.00 0.00 0.00 175.10 174.89 2wct s ILE 449 N 1.21 2.34 -0.04 2.22 1.09 0.10 -4.98 121.20 123.14 2wct s ILE 449 Ca 0.04 -0.89 0.04 0.00 -1.10 0.00 0.00 60.65 58.74 2wct s ILE 449 Cb -0.14 -1.95 -0.00 0.00 -1.06 0.00 0.00 42.46 39.30 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 0.69 1.31 -0.39 2.92 2.01 -1.26 0.30 115.64 121.22 2wct s THR 450 Ca -0.09 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.27 2wct s THR 450 Cb -0.16 -1.13 0.16 0.00 0.01 0.00 0.00 72.50 71.37 2wct s THR 450 CO 0.01 0.38 0.28 -0.55 -0.69 0.00 0.00 174.62 174.06 2wct s SER 451 N 0.03 2.29 1.12 3.53 0.15 -0.39 -5.03 113.70 115.40 2wct s SER 451 Ca -0.03 -2.68 0.00 0.00 0.70 0.00 0.00 55.95 53.94 2wct s SER 451 Cb -0.11 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 2wct s SER 451 CO 0.02 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2wct n GLY 452 N 3.38 1.90 0.09 9.45 0.00 -1.26 -3.17 105.19 115.59 2wct n GLY 452 Ca 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.46 116.42 113.13 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 0.78 1.00 -0.63 -1.72 0.00 0.00 179.24 178.68 2wct s ILE 454 N -2.77 3.94 -0.11 0.35 1.01 -1.19 -2.25 121.20 120.17 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 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.79 2wct s ILE 454 CO 0.81 -0.15 -0.22 -0.89 0.00 0.00 0.00 174.94 174.50 2wct s THR 455 N 3.96 1.94 -0.03 2.92 2.01 -0.39 -1.26 115.64 124.78 2wct s THR 455 Ca 0.64 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.77 2wct s THR 455 Cb -0.26 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 2wct s THR 455 CO 0.22 0.53 -0.22 0.00 -0.69 0.00 0.00 174.62 174.47 2wct s VAL 457 N -0.33 1.25 -0.36 0.00 0.11 -0.69 0.03 120.40 120.41 2wct s VAL 457 Ca 0.03 -0.59 -0.27 0.00 -2.93 0.00 0.00 61.98 58.23 2wct s VAL 457 Cb -0.10 -1.10 0.02 0.00 -1.53 0.00 0.00 36.38 33.67 2wct s VAL 457 CO 0.01 0.37 0.97 -0.69 -3.33 0.00 0.00 175.10 172.43 2wct s VAL 458 N 0.28 4.55 0.17 2.04 1.01 -0.74 -1.83 120.40 125.88 2wct s VAL 458 Ca -0.08 1.35 0.04 0.00 0.00 0.00 0.00 61.98 63.30 2wct s VAL 458 Cb -0.13 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2wct s VAL 458 CO 0.03 -0.53 0.22 0.27 0.00 0.00 0.00 175.10 175.09 2wct s ILE 459 N 3.56 4.91 0.53 2.22 -4.36 -0.92 -0.81 121.20 126.33 2wct s ILE 459 Ca 0.41 -0.92 -0.18 0.00 -0.26 0.00 0.00 60.65 59.69 2wct s ILE 459 Cb -0.12 -3.54 -0.06 0.00 1.25 0.00 0.00 42.46 39.99 2wct s ILE 459 CO 0.18 -0.14 1.05 -2.16 0.24 0.00 0.00 174.94 174.11 2wct s PRO 460 N -3.28 3.60 -0.27 0.37 0.04 -1.26 -4.78 135.00 129.42 2wct s PRO 460 Ca 0.33 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 2wct s PRO 460 Cb -0.10 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 2wct s PRO 460 CO 0.26 -0.59 0.25 0.45 0.04 0.00 0.00 177.00 177.41 2wct s SER 461 N -2.34 6.12 0.22 6.66 0.15 -1.26 -4.88 113.70 118.36 2wct s SER 461 Ca 0.66 0.11 -0.06 0.00 0.70 0.00 0.00 55.95 57.36 2wct s SER 461 Cb -0.16 -2.15 0.19 0.00 -1.71 0.00 0.00 66.02 62.19 2wct s SER 461 CO 0.27 -0.08 1.69 0.50 1.20 0.00 0.00 173.24 176.83 2wct h LYS 462 N 8.18 0.93 0.00 5.44 3.64 -1.84 0.36 116.57 133.27 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 0.60 0.93 -0.04 1.57 -2.27 0.00 0.00 179.45 180.24 2wct h LYS 463 N 0.85 0.00 -0.54 1.90 2.10 -1.87 -1.06 116.57 117.96 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 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2wct h LYS 463 CO 0.03 0.04 0.00 0.00 -2.00 0.00 0.00 179.45 177.52 2wct n ALA 464 N -2.14 2.41 0.00 0.07 0.00 -0.91 -4.95 120.51 114.99 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 0.56 3.69 0.00 0.00 -0.40 -4.95 105.19 105.62 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 -1.39 0.42 3.88 -0.02 0.00 0.12 -4.92 105.19 103.28 2wct n GLY 466 Ca 0.00 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.22 3.23 0.21 2.61 -4.23 -1.26 -4.34 115.64 110.63 2wct s THR 467 Ca 0.62 -1.31 -0.07 0.00 -1.18 0.00 0.00 61.69 59.75 2wct s THR 467 Cb -0.51 -3.12 0.14 0.00 1.34 0.00 0.00 72.50 70.35 2wct s THR 467 CO 0.57 -0.10 1.75 0.74 -0.54 0.00 0.00 174.62 177.04 2wct h THR 468 N 1.11 1.26 -0.48 3.99 2.02 -1.98 -2.23 112.91 116.59 2wct h THR 468 Ca -0.43 -0.91 -0.09 0.00 0.77 0.00 0.00 66.41 65.75 2wct h THR 468 Cb 1.26 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 2wct h THR 468 CO 0.57 0.36 -0.06 -0.33 0.37 0.00 0.00 175.52 176.43 2wct h GLU 469 N 1.08 0.83 -0.56 6.66 3.07 -1.99 -1.71 114.58 121.97 2wct h GLU 469 Ca 0.23 -0.26 -0.11 0.00 -0.50 0.00 0.00 59.36 58.73 2wct h GLU 469 Cb 0.32 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 2wct h GLU 469 CO -0.01 0.87 -0.06 0.52 -1.40 0.00 0.00 179.01 178.93 2wct h MET 470 N 0.76 1.04 -0.17 2.33 2.86 -1.90 -1.88 114.93 117.96 2wct h MET 470 Ca 0.14 -0.36 -0.04 0.00 -2.06 0.00 0.00 59.70 57.37 2wct h MET 470 Cb 0.54 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 2wct h MET 470 CO 0.03 1.06 -0.06 1.25 1.06 0.00 0.00 176.91 180.25 2wct h LEU 471 N 0.92 0.35 -1.63 1.22 5.85 -1.27 -2.59 115.31 118.16 2wct h LEU 471 Ca 0.15 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2wct h LEU 471 Cb 0.63 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2wct h LEU 471 CO 0.04 0.66 0.25 -1.28 -0.34 0.00 0.00 178.44 177.76 2wct h SER 472 N 0.04 0.43 0.27 1.25 0.87 -1.28 -1.28 113.55 113.85 2wct h SER 472 Ca 0.04 -0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.41 2wct h SER 472 Cb 0.51 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2wct h SER 472 CO 0.02 0.31 -0.72 -0.09 -0.53 0.00 0.00 176.83 175.82 2wct h ARG 473 N 0.51 0.39 -0.02 2.24 2.43 -1.29 -2.55 114.38 116.08 2wct h ARG 473 Ca 0.14 -0.31 -0.15 0.00 -0.81 0.00 0.00 59.98 58.84 2wct h ARG 473 Cb -0.06 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2wct h ARG 473 CO -0.03 0.95 -0.68 0.00 -1.51 0.00 0.00 179.97 178.71 2wct h ALA 474 N 0.96 0.82 0.00 2.80 0.00 -0.98 -3.01 119.26 119.85 2wct h ALA 474 Ca -0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 54.17 2wct h ALA 474 Cb 1.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2wct h ALA 474 CO 0.12 0.81 -0.51 -0.07 0.00 0.00 0.00 179.25 179.60 2wct h LEU 475 N 0.08 0.00 -0.30 0.00 4.07 -1.21 -2.86 115.31 115.09 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 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 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 -3.77 0.13 0.03 1.13 5.02 -0.97 -2.56 118.16 117.18 2wct n LYS 476 Ca -0.01 0.29 0.13 0.00 -2.02 0.00 0.00 58.31 56.70 2wct n LYS 476 Cb 0.55 -1.72 0.38 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.96 0.11 -2.65 1.97 5.02 -1.08 -4.82 118.16 114.75 2wct n LYS 477 Ca 0.04 0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.97 2wct n LYS 477 Cb 0.26 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 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 -3.05 4.32 0.11 -0.18 1.01 -1.06 -4.89 120.40 116.66 2wct s VAL 478 Ca 0.11 1.91 -0.31 0.00 0.00 0.00 0.00 61.98 63.69 2wct s VAL 478 Cb 0.16 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 2wct s VAL 478 CO 0.63 0.28 1.45 -2.16 0.00 0.00 0.00 175.10 175.30 2wct s PRO 479 N 0.03 4.28 -0.35 2.72 0.04 -1.26 -4.90 135.00 135.56 2wct s PRO 479 Ca 0.49 2.15 -0.33 0.00 0.04 0.00 0.00 61.00 63.35 2wct s PRO 479 Cb -0.25 -3.28 -0.10 0.00 0.04 0.00 0.00 34.50 30.91 2wct s PRO 479 CO 0.31 -0.51 2.23 0.28 0.04 0.00 0.00 177.00 179.35 2wct n VAL 480 N 4.08 0.20 -3.30 -0.36 0.31 -1.26 -4.91 118.33 113.09 2wct n VAL 480 Ca 0.12 -0.33 -0.03 0.00 -0.01 0.00 0.00 64.34 64.09 2wct n VAL 480 Cb 0.41 -1.89 0.01 0.00 -0.91 0.00 0.00 33.84 31.46 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 10.68 -0.77 -4.70 4.52 -0.08 -1.26 -4.99 116.55 119.95 2wct n ASP 481 Ca 0.39 -1.53 -0.37 0.00 -1.51 0.00 0.00 54.79 51.78 2wct n ASP 481 Cb 0.29 1.28 -0.08 0.00 2.34 0.00 0.00 41.12 44.96 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 4.20 0.04 -0.67 2.02 -1.26 -1.46 118.70 119.53 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 -3.48 -0.02 0.00 0.10 0.00 0.00 34.13 30.71 2wct s GLU 482 CO 0.04 0.11 -0.10 0.71 0.02 0.00 0.00 175.26 176.05 2wct s TYR 483 N 0.86 0.82 -0.26 1.61 2.02 -0.08 -4.42 117.35 117.90 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 -0.49 -0.04 0.00 -0.40 0.00 0.00 41.96 40.89 2wct s TYR 483 CO 0.05 -0.03 0.15 0.42 -1.57 0.00 0.00 175.55 174.58 2wct s ILE 484 N -1.05 5.07 0.31 2.71 1.09 -0.68 -0.59 121.20 128.07 2wct s ILE 484 Ca -0.05 0.09 0.05 0.00 -1.10 0.00 0.00 60.65 59.65 2wct s ILE 484 Cb -0.08 -3.39 -0.02 0.00 -1.06 0.00 0.00 42.46 37.90 2wct s ILE 484 CO 0.01 0.29 0.30 1.07 -0.10 0.00 0.00 174.94 176.51 2wct n THR 485 N 4.84 0.00 -4.48 2.92 5.66 -0.06 -1.60 114.28 121.56 2wct n THR 485 Ca -0.15 -2.11 -0.31 0.00 -3.05 0.00 0.00 64.05 58.43 2wct n THR 485 Cb 0.52 1.09 -0.05 0.00 -1.55 0.00 0.00 70.33 70.35 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 -0.47 114.28 107.94 2wct n THR 486 Ca 0.06 -2.34 -0.41 0.00 -2.27 0.00 0.00 64.05 59.08 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 -2.81 3.57 0.30 4.78 2.02 -1.26 -4.89 117.35 119.06 2wct s TYR 487 Ca 0.10 1.41 -0.29 0.00 -0.37 0.00 0.00 57.07 57.93 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 -0.03 1.10 -1.25 -1.57 0.00 0.00 175.55 173.86 2wct s PRO 488 N 1.22 4.55 -0.47 -1.71 0.04 -1.26 -4.43 135.00 132.95 2wct s PRO 488 Ca 0.43 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 63.23 2wct s PRO 488 Cb -0.19 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 2wct s PRO 488 CO 0.20 0.14 0.43 0.41 0.04 0.00 0.00 177.00 178.22 2wct n GLY 489 N 1.05 -0.59 3.38 0.56 0.00 -1.26 -4.73 105.19 103.59 2wct n GLY 489 Ca -0.00 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 2.21 0.00 1.61 -1.52 -1.26 -1.31 119.66 116.10 2wct s GLN 490 Ca 0.09 -0.87 0.00 0.00 -1.95 0.00 0.00 55.36 52.63 2wct s GLN 490 Cb -0.01 -2.16 0.00 0.00 -0.22 0.00 0.00 33.01 30.62 2wct s GLN 490 CO 0.41 0.58 0.00 0.41 -0.25 0.00 0.00 175.29 176.43 2wct n GLY 491 N 2.26 0.00 3.59 3.09 0.00 -1.26 -4.74 105.19 108.13 2wct n GLY 491 Ca -0.16 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 9.44 0.00 -1.17 0.00 0.00 -1.26 -4.69 120.51 122.82 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 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.84 -0.32 3.77 0.00 0.00 -1.17 -3.08 105.19 102.55 2wct n GLY 494 Ca 0.00 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 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 0.30 3.33 0.73 1.61 2.02 -0.42 -4.86 117.35 120.05 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 -3.23 0.03 0.00 -0.40 0.00 0.00 41.96 38.36 2wct s TYR 495 CO 0.00 -0.74 1.10 0.95 -1.57 0.00 0.00 175.55 175.30 2wct s THR 496 N -1.46 3.32 0.32 -0.71 -4.23 -1.26 -4.56 115.64 107.06 2wct s THR 496 Ca 0.54 0.43 0.02 0.00 -1.18 0.00 0.00 61.69 61.49 2wct s THR 496 Cb -0.27 -3.39 0.18 0.00 1.34 0.00 0.00 72.50 70.36 2wct s THR 496 CO 0.34 -0.56 1.88 0.25 -0.54 0.00 0.00 174.62 175.99 2wct h LEU 497 N -0.74 0.65 -0.71 4.79 5.85 -1.92 -0.43 115.31 122.80 2wct h LEU 497 Ca -0.45 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.05 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 0.63 0.63 -0.31 -0.33 -0.34 0.00 0.00 178.44 178.73 2wct h GLU 498 N 0.69 0.65 -0.08 1.25 4.39 -1.93 -1.16 114.58 118.39 2wct h GLU 498 Ca 0.16 -0.29 -0.21 0.00 0.34 0.00 0.00 59.36 59.36 2wct h GLU 498 Cb 0.23 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2wct h GLU 498 CO -0.01 0.88 -0.77 0.93 -1.16 0.00 0.00 179.01 178.88 2wct h GLU 499 N 0.56 0.67 -0.51 2.33 5.08 -1.79 -3.02 114.58 117.89 2wct h GLU 499 Ca 0.07 -0.61 -0.10 0.00 -1.00 0.00 0.00 59.36 57.71 2wct h GLU 499 Cb 0.80 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2wct h GLU 499 CO 0.07 1.22 -0.10 0.00 -1.00 0.00 0.00 179.01 179.20 2wct h ALA 500 N 0.47 0.87 -0.45 3.43 0.00 -1.08 -2.54 119.26 119.95 2wct h ALA 500 Ca -0.07 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.52 2wct h ALA 500 Cb 1.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2wct h ALA 500 CO 0.16 0.65 0.28 -0.22 0.00 0.00 0.00 179.25 180.11 2wct h LYS 501 N 0.84 0.54 -0.46 0.00 3.64 -1.26 -2.30 116.57 117.57 2wct h LYS 501 Ca 0.14 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 2wct h LYS 501 Cb 0.63 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2wct h LYS 501 CO 0.04 0.36 -0.13 1.15 -2.27 0.00 0.00 179.45 178.60 2wct h THR 502 N 0.56 1.26 -0.74 1.00 2.02 -1.46 -1.51 112.91 114.04 2wct h THR 502 Ca 0.18 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 2wct h THR 502 Cb -0.01 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2wct h THR 502 CO -0.07 0.42 0.37 0.00 0.37 0.00 0.00 175.52 176.62 2wct h ALA 503 N 1.08 0.95 -0.21 6.16 0.00 -1.15 0.25 119.26 126.34 2wct h ALA 503 Ca 0.12 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2wct h ALA 503 Cb 0.65 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2wct h ALA 503 CO 0.05 0.49 -0.68 -0.07 0.00 0.00 0.00 179.25 179.03 2wct h LEU 504 N 1.03 0.94 -1.42 0.00 3.38 -1.35 -3.06 115.31 114.83 2wct h LEU 504 Ca 0.26 -0.57 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 2wct h LEU 504 Cb 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2wct h LEU 504 CO -0.04 1.37 -0.29 0.11 0.09 0.00 0.00 178.44 179.68 2wct h LYS 505 N 0.58 0.00 0.00 1.13 1.57 -0.98 -0.12 116.57 118.76 2wct h LYS 505 Ca -0.02 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 2wct h LYS 505 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 2wct h LYS 505 CO 0.14 0.29 -0.50 -0.22 -0.57 0.00 0.00 179.45 178.60 2wct h LYS 506 N 0.00 0.00 -7.09 3.15 3.64 -0.94 -3.28 116.57 112.05 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 0.50 0.44 0.00 -2.27 0.00 0.00 179.45 178.16 2wct h LYS 508 N 1.15 0.00 -7.15 0.00 1.57 -1.89 -0.39 116.57 109.86 2wct h LYS 508 Ca -0.50 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.80 2wct h LYS 508 Cb 1.27 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.61 2wct h LYS 508 CO 0.57 0.12 0.37 -1.12 -0.57 0.00 0.00 179.45 178.82 2wct s SER 509 N -6.04 6.32 -0.08 0.86 0.01 -1.26 -4.67 113.70 108.83 2wct s SER 509 Ca 0.03 1.75 -0.14 0.00 1.31 0.00 0.00 55.95 58.90 2wct s SER 509 Cb 0.08 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 2wct s SER 509 CO 0.62 -0.80 0.35 0.00 0.41 0.00 0.00 173.24 173.82 2wct s ALA 510 N -2.36 3.66 0.01 1.44 0.00 -0.54 -0.41 121.76 123.57 2wct s ALA 510 Ca 0.63 -0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.32 2wct s ALA 510 Cb -0.13 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 2wct s ALA 510 CO 0.28 0.33 -0.21 -0.06 0.00 0.00 0.00 175.76 176.10 2wct s PHE 511 N -0.41 1.87 -0.37 0.00 0.08 -0.56 -0.90 117.98 117.69 2wct s PHE 511 Ca 0.21 -0.36 -0.03 0.00 0.12 0.00 0.00 56.93 56.87 2wct s PHE 511 Cb -0.15 -1.17 0.09 0.00 -0.57 0.00 0.00 43.02 41.22 2wct s PHE 511 CO 0.09 0.01 0.14 0.71 -0.10 0.00 0.00 175.22 176.08 2wct s TYR 512 N -0.60 3.48 -0.25 0.36 2.02 0.25 -0.79 117.35 121.81 2wct s TYR 512 Ca 0.08 -2.20 -0.15 0.00 -0.37 0.00 0.00 57.07 54.43 2wct s TYR 512 Cb -0.08 -2.85 -0.04 0.00 -0.40 0.00 0.00 41.96 38.58 2wct s TYR 512 CO 0.00 -0.91 0.38 0.08 -1.57 0.00 0.00 175.55 173.53 2wct s VAL 513 N 1.19 5.18 0.18 0.71 1.01 -0.59 -0.88 120.40 127.21 2wct s VAL 513 Ca 0.04 0.61 -0.25 0.00 0.00 0.00 0.00 61.98 62.38 2wct s VAL 513 Cb -0.22 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 2wct s VAL 513 CO -0.03 0.18 0.79 -0.76 0.00 0.00 0.00 175.10 175.28 2wct s LEU 514 N 1.85 4.56 0.66 3.92 1.43 0.38 -0.96 118.68 130.52 2wct s LEU 514 Ca 0.16 1.65 -0.15 0.00 -1.03 0.00 0.00 54.13 54.77 2wct s LEU 514 Cb -0.15 -3.38 -0.00 0.00 0.03 0.00 0.00 46.19 42.68 2wct s LEU 514 CO 0.09 0.18 1.10 -2.16 0.23 0.00 0.00 176.35 175.78 2wct s PRO 515 N -1.28 2.85 0.00 1.29 0.04 -1.26 -4.33 135.00 132.30 2wct s PRO 515 Ca 0.37 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2wct s PRO 515 Cb -0.22 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2wct s PRO 515 CO 0.26 -1.20 0.00 0.45 0.04 0.00 0.00 177.00 176.55 2wct n SER 516 N -2.46 0.00 -3.94 6.66 2.88 -1.26 -4.99 113.62 110.50 2wct n SER 516 Ca 0.10 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.46 2wct n SER 516 Cb 0.52 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.00 0.59 0.34 -1.46 2.56 -1.26 -5.19 118.70 114.29 2wct s GLU 524 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.97 54.86 2wct s GLU 524 Cb 0.00 -0.59 0.73 0.00 2.00 0.00 0.00 34.13 36.27 2wct s GLU 524 CO 0.00 0.06 1.90 0.82 -0.56 0.00 0.00 175.26 177.48 2wct h ILE 525 N 5.39 0.93 -0.04 -3.70 2.04 -1.97 -2.20 117.51 117.96 2wct h ILE 525 Ca -0.32 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 2wct h ILE 525 Cb 1.17 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2wct h ILE 525 CO 0.49 0.14 -0.33 -0.07 0.00 0.00 0.00 178.15 178.39 2wct h LEU 526 N 0.78 0.08 0.00 1.44 3.38 -2.03 -3.08 115.31 115.89 2wct h LEU 526 Ca 0.40 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2wct h LEU 526 Cb 0.48 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2wct h LEU 526 CO -0.17 0.41 -0.05 0.61 0.09 0.00 0.00 178.44 179.33 2wct n GLY 527 N -0.52 -1.52 3.59 0.83 0.00 -0.83 -4.82 105.19 101.92 2wct n GLY 527 Ca -0.02 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.02 4.57 0.44 2.61 2.01 -1.17 -1.02 115.64 120.06 2wct s THR 528 Ca 0.13 1.05 0.05 0.00 0.31 0.00 0.00 61.69 63.23 2wct s THR 528 Cb 0.17 -4.35 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 2wct s THR 528 CO 0.56 -0.60 0.03 0.68 -0.69 0.00 0.00 174.62 174.60 2wct s VAL 529 N 3.51 1.80 -0.57 3.82 -7.23 0.05 -4.99 120.40 116.80 2wct s VAL 529 Ca 0.37 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.65 2wct s VAL 529 Cb -0.12 -2.76 0.24 0.00 0.56 0.00 0.00 36.38 34.30 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 -1.09 2.50 -4.51 4.85 2.88 -1.26 -1.02 113.62 115.97 2wct n SER 530 Ca -0.08 -3.17 -0.31 0.00 -1.33 0.00 0.00 58.87 53.98 2wct n SER 530 Cb 0.67 -0.66 -0.12 0.00 -0.75 0.00 0.00 64.21 63.35 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 -1.92 2.67 0.77 0.66 0.51 -1.24 -4.89 118.94 115.50 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 0.31 1.07 0.54 -0.51 0.00 0.00 176.95 178.29 2wct s ASN 532 N -1.52 4.13 0.22 2.95 2.20 -1.26 -4.66 114.94 117.00 2wct s ASN 532 Ca 0.16 -0.13 -0.07 0.00 -0.94 0.00 0.00 52.86 51.88 2wct s ASN 532 Cb -0.11 -0.21 0.29 0.00 -2.00 0.00 0.00 41.25 39.21 2wct s ASN 532 CO 0.07 -2.02 1.82 0.25 -2.94 0.00 0.00 177.10 174.28 2wct h LEU 533 N -0.78 0.66 -0.42 3.54 5.85 -2.00 -0.25 115.31 121.91 2wct h LEU 533 Ca -0.39 0.03 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 42.16 2wct h LEU 533 CO 0.42 0.42 0.26 -0.09 -0.34 0.00 0.00 178.44 179.11 2wct h ARG 534 N 0.79 0.52 -0.38 1.25 2.43 -1.99 -0.03 114.38 116.97 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 0.20 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2wct h ARG 534 CO -0.18 0.34 0.15 0.93 -1.51 0.00 0.00 179.97 179.70 2wct h GLU 535 N 0.54 0.57 -0.53 0.20 5.08 -1.83 -2.77 114.58 115.83 2wct h GLU 535 Ca 0.16 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2wct h GLU 535 Cb -0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2wct h GLU 535 CO -0.05 0.54 0.02 0.52 -1.00 0.00 0.00 179.01 179.04 2wct h MET 536 N 0.47 0.90 -0.20 2.33 2.86 -0.79 -2.75 114.93 117.73 2wct h MET 536 Ca 0.13 -0.25 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 2wct h MET 536 Cb 0.19 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2wct h MET 536 CO -0.01 0.88 -0.35 -0.07 1.06 0.00 0.00 176.91 178.42 2wct h LEU 537 N 0.83 0.44 -0.46 1.22 3.38 -0.94 -1.56 115.31 118.22 2wct h LEU 537 Ca 0.16 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2wct h LEU 537 Cb 0.47 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2wct h LEU 537 CO 0.02 0.76 -0.19 0.00 0.09 0.00 0.00 178.44 179.12 2wct h ALA 538 N 1.27 0.65 -0.60 1.53 0.00 -1.38 -1.70 119.26 119.03 2wct h ALA 538 Ca 0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 2wct h ALA 538 Cb 0.78 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2wct h ALA 538 CO 0.06 0.61 0.02 1.25 0.00 0.00 0.00 179.25 181.20 2wct h HIS 539 N 0.79 1.12 -0.30 0.00 -0.00 -1.35 -2.92 115.15 112.49 2wct h HIS 539 Ca 0.11 -0.18 -0.16 0.00 -0.00 0.00 0.00 60.37 60.14 2wct h HIS 539 Cb 0.76 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.86 2wct h HIS 539 CO 0.05 0.98 -0.45 0.00 -0.00 0.00 0.00 177.93 178.51 2wct h ALA 540 N 1.06 0.64 -0.03 5.26 0.00 -1.14 -1.60 119.26 123.46 2wct h ALA 540 Ca 0.18 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 2wct h ALA 540 Cb 0.52 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2wct h ALA 540 CO 0.02 0.67 -0.59 1.05 0.00 0.00 0.00 179.25 180.41 2wct h GLU 541 N 0.62 0.10 0.17 0.00 4.11 -1.30 -1.73 114.58 116.56 2wct h GLU 541 Ca 0.04 -0.07 -0.33 0.00 0.07 0.00 0.00 59.36 59.06 2wct h GLU 541 Cb 1.02 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.28 2wct h GLU 541 CO 0.10 0.67 -1.68 1.05 0.07 0.00 0.00 179.01 179.22 2wct h GLU 542 N 0.08 0.36 0.00 1.06 4.11 -1.53 -3.36 114.58 115.29 2wct h GLU 542 Ca -0.01 -0.61 0.00 0.00 0.07 0.00 0.00 59.36 58.81 2wct h GLU 542 Cb 1.07 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2wct h GLU 542 CO 0.08 1.29 -0.20 1.79 0.07 0.00 0.00 179.01 182.04 2wct h THR 543 N 0.00 0.00 -0.76 -1.06 1.35 -1.39 -3.47 112.91 107.59 2wct h THR 543 Ca -0.34 -0.54 -0.32 0.00 -0.55 0.00 0.00 66.41 64.66 2wct h THR 543 Cb 2.01 1.41 -0.13 0.00 -1.73 0.00 0.00 68.15 69.72 2wct h THR 543 CO 0.15 0.00 -0.29 -1.14 -0.25 0.00 0.00 175.52 173.98 2wct n ARG 544 N -2.31 -1.19 -1.37 4.72 3.00 -0.65 -4.99 116.66 113.87 2wct n ARG 544 Ca 0.05 1.05 -0.31 0.00 -0.00 0.00 0.00 57.85 58.64 2wct n ARG 544 Cb 0.44 -5.26 0.08 0.00 0.00 0.00 0.00 32.46 27.72 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 -3.32 2.40 0.23 -0.14 1.02 -1.21 -4.85 119.74 113.87 2wct s LYS 545 Ca 0.00 1.04 -0.28 0.00 0.02 0.00 0.00 55.97 56.75 2wct s LYS 545 Cb 0.00 -1.92 -0.09 0.00 -0.52 0.00 0.00 37.83 35.30 2wct s LYS 545 CO 0.00 -1.51 0.90 -1.17 -0.92 0.00 0.00 175.35 172.66 2wct s LEU 546 N -5.81 4.60 -0.30 3.17 2.96 -0.64 -4.28 118.68 118.38 2wct s LEU 546 Ca 0.60 1.87 0.04 0.00 -0.22 0.00 0.00 54.13 56.41 2wct s LEU 546 Cb -0.16 -3.59 0.08 0.00 0.50 0.00 0.00 46.19 43.03 2wct s LEU 546 CO 0.56 0.15 -0.02 -0.32 -1.32 0.00 0.00 176.35 175.39 2wct s MET 547 N -1.28 1.81 -0.14 1.98 -2.45 0.02 -1.81 119.30 117.44 2wct s MET 547 Ca 0.41 -1.64 -0.29 0.00 -1.25 0.00 0.00 55.69 52.91 2wct s MET 547 Cb -0.24 -3.07 -0.02 0.00 1.25 0.00 0.00 34.83 32.75 2wct s MET 547 CO 0.30 -0.78 1.32 -2.14 1.05 0.00 0.00 175.02 174.77 2wct s PRO 548 N 0.99 4.23 -0.05 4.11 0.02 -1.23 -0.50 135.00 142.58 2wct s PRO 548 Ca 0.02 1.75 0.02 0.00 0.02 0.00 0.00 61.00 62.81 2wct s PRO 548 Cb -0.19 -3.78 0.01 0.00 0.02 0.00 0.00 34.50 30.56 2wct s PRO 548 CO -0.07 -0.71 -0.10 0.42 -0.33 0.00 0.00 177.00 176.22 2wct s ILE 549 N 3.47 0.91 -0.26 2.83 -1.09 0.21 -4.57 121.20 122.69 2wct s ILE 549 Ca 0.58 -0.37 -0.29 0.00 -2.23 0.00 0.00 60.65 58.34 2wct s ILE 549 Cb -0.24 -0.84 0.00 0.00 -1.58 0.00 0.00 42.46 39.80 2wct s ILE 549 CO 0.18 0.30 1.17 0.00 -1.23 0.00 0.00 174.94 175.35 2wct h MET 551 N 8.28 0.00 -0.23 0.00 2.86 -1.03 -3.03 114.93 121.78 2wct h MET 551 Ca -0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 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 0.83 -4.21 1.22 8.00 -1.26 -4.62 116.55 112.40 2wct n ASP 552 Ca -0.02 -2.02 -0.41 0.00 0.71 0.00 0.00 54.79 53.05 2wct n ASP 552 Cb 0.24 -0.14 -0.08 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.76 4.29 0.27 2.53 1.01 -1.15 -4.96 120.40 120.62 2wct s VAL 553 Ca 0.09 -2.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.03 2wct s VAL 553 Cb 0.05 -3.80 0.25 0.00 0.00 0.00 0.00 36.38 32.88 2wct s VAL 553 CO 0.05 -0.82 1.83 0.03 0.00 0.00 0.00 175.10 176.19 2wct h ARG 554 N 8.18 0.89 -0.65 2.72 2.47 -1.89 -1.57 114.38 124.53 2wct h ARG 554 Ca -0.15 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.51 2wct h ARG 554 Cb 1.05 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 29.14 2wct h ARG 554 CO 0.83 0.59 0.37 0.00 0.56 0.00 0.00 179.97 182.32 2wct h ALA 555 N 1.50 0.83 -0.19 0.04 0.00 -1.98 -1.84 119.26 117.63 2wct h ALA 555 Ca 0.45 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 2wct h ALA 555 Cb 0.42 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wct h ALA 555 CO -0.26 0.33 -0.42 0.82 0.00 0.00 0.00 179.25 179.73 2wct h ILE 556 N 0.88 1.33 -0.47 0.00 2.04 -1.85 -3.12 117.51 116.32 2wct h ILE 556 Ca 0.23 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 2wct h ILE 556 Cb 0.02 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2wct h ILE 556 CO -0.04 0.51 0.27 0.24 0.00 0.00 0.00 178.15 179.13 2wct h MET 557 N 0.28 0.64 -0.34 2.37 2.86 -1.18 -1.76 114.93 117.80 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 1.02 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 2wct h MET 557 CO 0.09 0.47 0.00 0.00 1.06 0.00 0.00 176.91 178.53 2wct h ALA 558 N 1.64 0.45 -0.52 6.32 0.00 -1.36 -1.82 119.26 123.97 2wct h ALA 558 Ca 0.17 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2wct h ALA 558 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2wct h ALA 558 CO -0.03 0.21 0.06 1.15 0.00 0.00 0.00 179.25 180.64 2wct h THR 559 N 0.40 1.24 -0.22 0.00 2.02 -1.39 -2.08 112.91 112.88 2wct h THR 559 Ca 0.10 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.28 2wct h THR 559 Cb 0.45 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2wct h THR 559 CO 0.02 0.34 -0.09 0.40 0.37 0.00 0.00 175.52 176.56 2wct h ILE 560 N 0.79 1.30 0.00 3.11 2.04 -1.25 -1.81 117.51 121.70 2wct h ILE 560 Ca 0.16 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 2wct h ILE 560 Cb 0.39 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2wct h ILE 560 CO 0.01 0.35 -0.06 1.56 0.00 0.00 0.00 178.15 180.01 2wct h GLN 561 N 0.16 0.00 0.15 2.37 4.20 -1.22 0.21 115.11 120.98 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 0.58 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 2wct h GLN 561 CO 0.03 0.06 -1.69 0.00 -0.67 0.00 0.00 178.83 176.56 2wct h ARG 562 N 0.00 0.31 0.19 1.46 -0.00 -1.30 -3.21 114.38 111.83 2wct h ARG 562 Ca -0.00 -0.53 -0.34 0.00 -0.50 0.00 0.00 59.98 58.61 2wct h ARG 562 Cb 0.56 0.20 0.01 0.00 0.00 0.00 0.00 29.97 30.74 2wct h ARG 562 CO 0.01 1.19 -1.66 -0.22 0.00 0.00 0.00 179.97 179.29 2wct h LYS 563 N 0.08 0.40 -3.13 0.04 3.64 -1.26 -3.39 116.57 112.95 2wct h LYS 563 Ca -0.31 -0.68 -0.65 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 -0.42 0.66 -2.27 0.00 0.00 179.45 178.89 2wct n TYR 564 N -3.59 3.56 -2.36 1.91 4.01 0.74 -5.08 117.16 116.36 2wct n TYR 564 Ca -0.22 -4.26 -0.39 0.00 -0.16 0.00 0.00 57.90 52.87 2wct n TYR 564 Cb 1.08 -0.78 -0.03 0.00 -0.31 0.00 0.00 39.34 39.30 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 -1.48 4.34 0.00 -0.72 1.02 -1.21 -3.41 119.74 118.27 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 -0.05 -2.92 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 2wct s LYS 565 CO -0.15 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 2wct n GLY 566 N 0.84 0.65 3.76 -3.33 0.00 -1.26 -5.04 105.19 100.81 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 -2.03 3.41 -0.75 -0.61 2.07 -1.22 -5.00 121.20 117.07 2wct s ILE 567 Ca 0.00 1.39 -0.08 0.00 -1.41 0.00 0.00 60.65 60.55 2wct s ILE 567 Cb 0.00 -3.89 0.20 0.00 0.13 0.00 0.00 42.46 38.90 2wct s ILE 567 CO 0.00 0.32 0.64 -0.75 -1.91 0.00 0.00 174.94 173.24 2wct s LYS 568 N -1.33 3.16 -0.11 3.50 2.20 -1.26 -5.04 119.74 120.86 2wct s LYS 568 Ca 0.46 -2.56 -0.29 0.00 -0.36 0.00 0.00 55.97 53.21 2wct s LYS 568 Cb -0.33 -4.11 -0.05 0.00 -1.51 0.00 0.00 37.83 31.83 2wct s LYS 568 CO 0.42 -1.24 1.76 0.42 -0.36 0.00 0.00 175.35 176.35 2wct s ILE 569 N -0.06 3.46 0.06 5.43 1.01 -1.26 -4.97 121.20 124.86 2wct s ILE 569 Ca 0.18 0.53 -0.05 0.00 0.00 0.00 0.00 60.65 61.32 2wct s ILE 569 Cb -0.14 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2wct s ILE 569 CO -0.07 -0.12 0.08 -1.58 0.00 0.00 0.00 174.94 173.25 2wct s GLN 570 N 4.56 0.67 0.22 2.79 0.74 -1.26 -5.14 119.66 122.24 2wct s GLN 570 Ca 0.78 -0.99 -0.30 0.00 0.05 0.00 0.00 55.36 54.90 2wct s GLN 570 Cb -0.32 0.26 -0.10 0.00 1.10 0.00 0.00 33.01 33.95 2wct s GLN 570 CO 0.32 -0.17 1.44 -2.00 -0.55 0.00 0.00 175.29 174.33 2wct s GLU 571 N -3.48 4.28 0.85 1.67 2.12 -1.26 -4.50 118.70 118.37 2wct s GLU 571 Ca 0.02 2.26 0.00 0.00 0.36 0.00 0.00 54.97 57.62 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 0.00 175.26 174.62 2wct n GLY 572 N 2.51 -0.07 3.69 -1.50 0.00 -0.21 -4.90 105.19 104.70 2wct n GLY 572 Ca 0.08 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 3.91 -0.30 -0.61 -1.09 -1.26 -1.03 121.20 120.82 2wct s ILE 573 Ca 0.00 1.26 -0.01 0.00 -2.23 0.00 0.00 60.65 59.67 2wct s ILE 573 Cb 0.00 -3.81 0.10 0.00 -1.58 0.00 0.00 42.46 37.17 2wct s ILE 573 CO 0.00 -0.01 0.10 -0.69 -1.23 0.00 0.00 174.94 173.11 2wct s VAL 574 N 2.46 0.69 -0.56 2.92 1.01 -0.15 -5.00 120.40 121.76 2wct s VAL 574 Ca 0.61 -1.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 2wct s VAL 574 Cb -0.29 -1.53 0.07 0.00 0.00 0.00 0.00 36.38 34.64 2wct s VAL 574 CO 0.24 -0.68 0.75 -0.62 0.00 0.00 0.00 175.10 174.79 2wct s ASP 575 N 1.71 6.22 -0.40 3.32 -1.08 -1.26 -0.99 116.67 124.18 2wct s ASP 575 Ca 0.09 -1.02 0.06 0.00 -0.52 0.00 0.00 52.55 51.16 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 -0.27 -1.10 0.52 -0.47 0.52 0.00 0.00 175.17 174.37 2wct s TYR 576 N 3.05 -1.02 0.00 -5.34 6.14 -1.26 -4.94 117.35 113.99 2wct s TYR 576 Ca 0.17 -0.36 0.00 0.00 0.64 0.00 0.00 57.07 57.52 2wct s TYR 576 Cb -0.20 -0.03 0.00 0.00 0.42 0.00 0.00 41.96 42.15 2wct s TYR 576 CO 0.11 -1.09 0.00 0.41 0.64 0.00 0.00 175.55 175.62 2wct n GLY 577 N 4.17 1.63 3.37 8.97 0.00 -1.26 -4.79 105.19 117.29 2wct n GLY 577 Ca 0.12 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 2.48 -0.99 1.61 1.01 -1.26 -4.66 120.40 118.59 2wct s VAL 578 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.81 2wct s VAL 578 Cb 0.00 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.51 2wct s VAL 578 CO 0.00 0.58 1.46 -0.13 0.00 0.00 0.00 175.10 177.01 2wct s ARG 579 N -0.59 3.51 0.35 2.72 0.52 -1.26 -4.32 118.95 119.89 2wct s ARG 579 Ca 0.09 -1.01 -0.13 0.00 -0.52 0.00 0.00 55.73 54.15 2wct s ARG 579 Cb -0.11 -5.26 -0.08 0.00 0.52 0.00 0.00 34.95 30.02 2wct s ARG 579 CO 0.00 -2.26 0.75 -0.06 0.02 0.00 0.00 175.30 173.75 2wct s PHE 580 N 5.27 3.41 -0.36 -0.53 0.08 -0.16 -0.80 117.98 124.88 2wct s PHE 580 Ca 0.46 1.16 0.01 0.00 0.12 0.00 0.00 56.93 58.69 2wct s PHE 580 Cb -0.01 -2.51 0.11 0.00 -0.57 0.00 0.00 43.02 40.05 2wct s PHE 580 CO -0.08 0.02 0.13 0.12 -0.10 0.00 0.00 175.22 175.31 2wct s PHE 581 N -2.13 2.40 -0.28 0.36 5.36 0.34 -0.98 117.98 123.05 2wct s PHE 581 Ca 0.53 -2.32 -0.24 0.00 -0.96 0.00 0.00 56.93 53.93 2wct s PHE 581 Cb -0.10 -2.14 -0.00 0.00 -0.34 0.00 0.00 43.02 40.44 2wct s PHE 581 CO 0.22 -0.86 0.83 -0.06 -1.46 0.00 0.00 175.22 173.89 2wct s PHE 582 N 1.00 3.24 0.25 10.12 0.08 -0.20 -0.62 117.98 131.84 2wct s PHE 582 Ca 0.12 0.98 0.11 0.00 0.12 0.00 0.00 56.93 58.27 2wct s PHE 582 Cb -0.20 -3.20 -0.05 0.00 -0.57 0.00 0.00 43.02 39.01 2wct s PHE 582 CO -0.13 -0.52 -0.20 1.52 -0.10 0.00 0.00 175.22 175.80 2wct s TYR 583 N 2.98 2.34 0.32 0.36 -0.85 -0.72 -1.04 117.35 120.74 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 -1.07 -0.02 0.00 0.38 0.00 0.00 41.96 41.10 2wct s TYR 583 CO 0.11 0.63 0.32 0.95 -1.52 0.00 0.00 175.55 176.03 2wct s THR 584 N -2.18 3.77 -1.53 -3.49 -4.23 -1.26 -0.33 115.64 106.39 2wct s THR 584 Ca 0.27 -1.30 0.30 0.00 -1.18 0.00 0.00 61.69 59.78 2wct s THR 584 Cb -0.06 -3.27 0.51 0.00 1.34 0.00 0.00 72.50 71.02 2wct s THR 584 CO 0.14 -0.19 1.98 -1.54 -0.54 0.00 0.00 174.62 174.47 2wct n SER 585 N -1.40 0.18 -0.02 3.99 3.41 -1.26 -3.16 113.62 115.36 2wct n SER 585 Ca -0.02 -0.34 -0.16 0.00 -0.26 0.00 0.00 58.87 58.08 2wct n SER 585 Cb 0.59 -0.19 -0.13 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.21 0.15 -6.48 4.33 3.64 -1.94 -3.45 116.57 113.02 2wct h LYS 586 Ca 0.00 -0.22 -0.53 0.00 -1.27 0.00 0.00 60.65 58.62 2wct h LYS 586 Cb 0.30 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2wct h LYS 586 CO 0.00 1.07 0.78 -2.00 -2.27 0.00 0.00 179.45 177.03 2wct s GLU 587 N -2.48 4.30 0.66 1.90 2.12 -1.19 -4.99 118.70 119.02 2wct s GLU 587 Ca -0.16 2.05 -0.17 0.00 0.36 0.00 0.00 54.97 57.04 2wct s GLU 587 Cb -0.01 -3.38 -0.00 0.00 0.26 0.00 0.00 34.13 30.99 2wct s GLU 587 CO 0.75 -0.50 1.23 -2.30 -0.54 0.00 0.00 175.26 173.90 2wct n PRO 588 N 4.53 0.96 -0.24 4.30 -0.02 -1.26 -4.81 135.00 138.46 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 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.48 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 0.34 1.23 0.00 -1.45 2.07 -1.94 -1.86 116.25 114.64 2wct h VAL 589 Ca -0.50 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 2wct h VAL 589 Cb 1.34 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2wct h VAL 589 CO 0.52 0.28 -0.23 0.00 0.02 0.00 0.00 177.57 178.16 2wct h ALA 590 N 1.13 1.42 -0.02 1.67 0.00 -1.92 -0.67 119.26 120.88 2wct h ALA 590 Ca 0.23 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 2wct h ALA 590 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wct h ALA 590 CO -0.02 0.29 -0.93 1.03 0.00 0.00 0.00 179.25 179.62 2wct h SER 591 N 0.00 0.60 -0.06 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 60.06 2wct h SER 591 Cb 0.46 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2wct h SER 591 CO 0.03 1.26 -0.08 0.40 -0.53 0.00 0.00 176.83 177.91 2wct h ILE 592 N 0.27 1.39 -0.99 2.23 2.04 -0.89 -2.59 117.51 118.97 2wct h ILE 592 Ca -0.08 -1.28 0.06 0.00 1.00 0.00 0.00 64.86 64.56 2wct h ILE 592 Cb 1.56 2.10 -0.07 0.00 -0.74 0.00 0.00 36.82 39.67 2wct h ILE 592 CO 0.16 0.35 0.64 0.40 0.00 0.00 0.00 178.15 179.71 2wct h ILE 593 N -0.29 1.09 -0.76 -0.67 2.04 -1.21 -1.11 117.51 116.59 2wct h ILE 593 Ca 0.01 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 2wct h ILE 593 Cb 0.61 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2wct h ILE 593 CO 0.02 0.21 0.26 0.74 0.00 0.00 0.00 178.15 179.38 2wct h THR 594 N 1.17 1.26 -0.13 -0.27 2.02 -1.41 -1.18 112.91 114.37 2wct h THR 594 Ca 0.43 -0.89 -0.09 0.00 0.77 0.00 0.00 66.41 66.63 2wct h THR 594 Cb 0.16 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2wct h THR 594 CO -0.17 0.35 -0.30 0.11 0.37 0.00 0.00 175.52 175.88 2wct h LYS 595 N 1.13 0.25 0.02 6.66 1.57 -0.91 -2.28 116.57 123.01 2wct h LYS 595 Ca 0.25 -0.09 -0.24 0.00 -1.87 0.00 0.00 60.65 58.69 2wct h LYS 595 Cb 0.28 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2wct h LYS 595 CO -0.01 0.53 -1.23 -0.07 -0.57 0.00 0.00 179.45 178.11 2wct h LEU 596 N 0.22 0.07 -0.51 2.94 3.38 -0.90 -2.93 115.31 117.58 2wct h LEU 596 Ca 0.03 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 2wct h LEU 596 Cb 0.65 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2wct h LEU 596 CO 0.05 1.07 -0.67 0.78 0.09 0.00 0.00 178.44 179.75 2wct h ASN 597 N 0.01 0.36 -0.46 -0.43 2.35 -1.19 -1.92 115.58 114.31 2wct h ASN 597 Ca -0.10 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.34 2wct h ASN 597 Cb 1.86 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 40.11 2wct h ASN 597 CO 0.13 0.93 -0.04 -1.28 -1.65 0.00 0.00 177.43 175.52 2wct h SER 598 N 0.22 0.83 0.51 5.81 0.87 -1.49 -2.99 113.55 117.32 2wct h SER 598 Ca -0.02 -0.33 -0.09 0.00 -1.23 0.00 0.00 61.79 60.12 2wct h SER 598 Cb 1.22 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2wct h SER 598 CO 0.11 0.96 -0.44 -0.07 -0.53 0.00 0.00 176.83 176.86 2wct h LEU 599 N 0.68 0.00 -3.05 2.23 4.07 -1.46 -3.48 115.31 114.30 2wct h LEU 599 Ca 0.12 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.59 2wct h LEU 599 Cb 0.56 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.22 2wct h LEU 599 CO 0.03 0.44 -0.80 -3.20 -1.08 0.00 0.00 178.44 173.83 2wct n ASN 600 N -3.91 -1.43 -4.81 -0.43 2.85 -0.73 -4.98 115.26 101.83 2wct n ASN 600 Ca -0.01 -1.04 -0.22 0.00 -0.11 0.00 0.00 54.58 53.20 2wct n ASN 600 Cb 0.48 -1.27 -0.05 0.00 1.24 0.00 0.00 39.78 40.19 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 -6.79 2.70 0.20 1.20 2.02 -1.26 -4.93 118.70 111.85 2wct s GLU 601 Ca 0.22 -1.26 -0.30 0.00 0.02 0.00 0.00 54.97 53.65 2wct s GLU 601 Cb -0.12 -2.44 -0.08 0.00 0.10 0.00 0.00 34.13 31.59 2wct s GLU 601 CO 0.79 0.22 1.00 -2.14 0.02 0.00 0.00 175.26 175.15 2wct s PRO 602 N -3.90 4.74 0.28 0.39 0.02 -1.26 -4.06 135.00 131.21 2wct s PRO 602 Ca 0.37 1.56 0.11 0.00 0.02 0.00 0.00 61.00 63.07 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 0.97 -1.62 118.68 115.69 2wct s LEU 603 Ca 0.45 -0.90 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 2wct s LEU 603 Cb -0.27 -1.31 0.09 0.00 0.03 0.00 0.00 46.19 44.74 2wct s LEU 603 CO 0.33 0.03 0.14 0.54 0.23 0.00 0.00 176.35 177.61 2wct s VAL 604 N -2.45 -0.10 0.28 -1.59 0.11 -0.75 -0.50 120.40 115.39 2wct s VAL 604 Ca 0.30 -0.60 0.03 0.00 -2.93 0.00 0.00 61.98 58.78 2wct s VAL 604 Cb -0.05 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2wct s VAL 604 CO 0.17 -0.61 0.24 0.28 -3.33 0.00 0.00 175.10 171.85 2wct s THR 605 N 2.13 0.00 0.33 5.04 -1.32 -0.60 -3.47 115.64 117.75 2wct s THR 605 Ca 0.08 -1.95 0.07 0.00 -1.21 0.00 0.00 61.69 58.67 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 0.38 -0.04 -2.21 0.00 0.00 174.62 172.44 2wct s MET 606 N -3.71 2.95 -0.24 7.08 -1.94 -1.26 -0.55 119.30 121.63 2wct s MET 606 Ca 0.39 -1.13 -0.29 0.00 -1.71 0.00 0.00 55.69 52.95 2wct s MET 606 Cb 0.04 -2.66 -0.06 0.00 2.01 0.00 0.00 34.83 34.16 2wct s MET 606 CO 0.20 0.11 2.22 -2.30 -0.01 0.00 0.00 175.02 175.25 2wct n PRO 607 N -1.49 1.82 -1.68 2.03 -0.02 -1.26 -4.84 135.00 129.56 2wct n PRO 607 Ca -0.02 0.49 -0.48 0.00 -2.02 0.00 0.00 63.50 61.47 2wct n PRO 607 Cb 0.59 -3.12 -0.05 0.00 -0.02 0.00 0.00 33.50 30.90 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 7.68 0.56 0.00 4.25 5.41 -1.26 -2.00 119.36 133.99 2wct n ILE 608 Ca 0.32 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.97 2wct n ILE 608 Cb 0.41 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 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 4.37 2.03 3.66 7.39 0.00 -1.26 -4.78 105.19 116.59 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 -2.46 1.55 0.00 1.61 5.04 -0.85 -1.36 117.35 120.89 2wct s TYR 610 Ca 0.00 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.44 2wct s TYR 610 Cb 0.00 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 38.20 2wct s TYR 610 CO 0.00 -4.87 0.00 0.28 -1.34 0.00 0.00 175.55 169.62 2wct n VAL 611 N 5.56 0.00 -0.33 3.14 0.31 -0.03 -4.54 118.33 122.43 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 0.35 0.00 -0.91 0.00 0.00 33.84 33.70 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 0.72 -0.22 2.52 1.35 -1.87 -2.11 112.91 113.30 2wct h THR 612 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2wct h THR 612 Cb 0.00 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.36 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 -4.70 0.28 -0.38 4.73 8.25 -0.46 -4.77 115.22 118.16 2wct n HIS 613 Ca 0.22 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2wct n HIS 613 Cb 0.58 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.68 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 0.68 0.80 3.84 -1.41 0.00 -0.79 -5.03 105.19 103.28 2wct n GLY 614 Ca 0.10 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 3.60 0.56 1.61 0.08 -1.15 -4.85 117.98 115.83 2wct s PHE 615 Ca 0.00 1.11 0.02 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 0.40 0.79 0.54 -0.10 0.00 0.00 175.22 176.84 2wct s ASN 616 N -1.75 5.16 0.26 1.36 4.22 -1.26 -0.85 114.94 122.07 2wct s ASN 616 Ca 0.40 -0.17 -0.01 0.00 -2.14 0.00 0.00 52.86 50.93 2wct s ASN 616 Cb -0.15 -0.64 0.53 0.00 1.28 0.00 0.00 41.25 42.27 2wct s ASN 616 CO 0.19 -1.22 1.75 0.25 -2.04 0.00 0.00 177.10 176.03 2wct h LEU 617 N 0.05 0.45 0.07 3.54 5.85 -1.99 -1.68 115.31 121.59 2wct h LEU 617 Ca -0.40 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.43 2wct h LEU 617 Cb 1.29 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 2wct h LEU 617 CO 0.49 0.17 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.54 2wct h GLU 618 N 0.56 -0.26 -0.79 1.25 4.81 -1.95 -1.88 114.58 116.31 2wct h GLU 618 Ca 0.46 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 30.08 2wct h GLU 618 CO -0.39 -0.18 0.29 0.93 -0.73 0.00 0.00 179.01 178.94 2wct h GLU 619 N -0.27 1.19 -0.06 1.92 5.08 -1.80 -2.81 114.58 117.83 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 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2wct h GLU 619 CO -0.09 0.98 -0.42 0.00 -1.00 0.00 0.00 179.01 178.47 2wct h ALA 620 N 1.16 1.18 -0.25 3.43 0.00 -1.24 -2.92 119.26 120.63 2wct h ALA 620 Ca 0.26 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2wct h ALA 620 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2wct h ALA 620 CO -0.02 0.57 -0.29 0.00 0.00 0.00 0.00 179.25 179.52 2wct h ALA 621 N 1.46 1.05 -0.56 0.00 0.00 -1.09 -1.84 119.26 118.26 2wct h ALA 621 Ca 0.01 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 2wct h ALA 621 Cb 0.80 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2wct h ALA 621 CO 0.06 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.82 2wct h ARG 622 N 0.43 1.03 -0.01 0.00 3.08 -1.32 -2.88 114.38 114.71 2wct h ARG 622 Ca 0.06 -0.36 -0.14 0.00 0.07 0.00 0.00 59.98 59.61 2wct h ARG 622 Cb 0.72 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 2wct h ARG 622 CO 0.06 1.05 -0.64 0.00 -1.07 0.00 0.00 179.97 179.37 2wct h MET 624 N 0.04 0.00 -0.50 0.00 2.86 -1.13 -2.81 114.93 113.39 2wct h MET 624 Ca -0.01 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2wct h MET 624 Cb 1.13 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 2wct h MET 624 CO 0.09 0.07 0.33 0.00 1.06 0.00 0.00 176.91 178.46 2wct h ARG 625 N 0.00 0.59 0.00 1.72 3.08 -1.47 -1.35 114.38 116.94 2wct h ARG 625 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2wct h ARG 625 Cb 0.48 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2wct h ARG 625 CO 0.01 0.39 0.00 0.43 -1.07 0.00 0.00 179.97 179.73 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 0.05 -0.29 -0.43 0.00 1.01 0.00 0.00 58.87 59.21 2wct n SER 626 Cb 0.11 -0.21 -0.04 0.00 -1.01 0.00 0.00 64.21 63.07 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 -2.41 3.98 -0.06 -3.43 2.96 -0.51 -4.90 118.68 114.31 2wct s LEU 627 Ca 0.29 0.48 0.16 0.00 -0.22 0.00 0.00 54.13 54.84 2wct s LEU 627 Cb 0.18 -3.26 -0.22 0.00 0.50 0.00 0.00 46.19 43.39 2wct s LEU 627 CO 0.37 -0.92 0.52 0.54 -1.32 0.00 0.00 176.35 175.54 2wct n ARG 628 N 6.92 0.65 -2.18 1.98 1.74 -1.26 -4.93 116.66 119.58 2wct n ARG 628 Ca 0.07 0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.88 2wct n ARG 628 Cb 0.48 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 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 0.03 7.54 0.00 -1.26 -4.93 121.76 123.98 2wct s ALA 629 Ca -0.06 1.13 -0.36 0.00 0.00 0.00 0.00 51.96 52.67 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 1.55 -0.35 0.00 0.00 0.00 175.76 177.20 2wct n PRO 630 N 3.37 1.62 -3.94 0.00 -0.04 -1.26 -4.81 135.00 129.95 2wct n PRO 630 Ca 0.09 0.59 -0.10 0.00 -0.04 0.00 0.00 63.50 64.04 2wct n PRO 630 Cb 0.42 -2.30 -0.10 0.00 -0.04 0.00 0.00 33.50 31.48 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 1.57 -0.05 -0.38 0.55 0.00 -1.26 -0.02 121.76 122.17 2wct s ALA 631 Ca 0.86 -0.48 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 2wct s ALA 631 Cb -0.85 0.18 0.06 0.00 0.00 0.00 0.00 23.12 22.51 2wct s ALA 631 CO 0.47 -0.24 0.19 0.08 0.00 0.00 0.00 175.76 176.27 2wct s VAL 632 N -1.93 4.02 -0.26 0.00 1.01 0.34 -4.67 120.40 118.91 2wct s VAL 632 Ca -0.11 -1.28 -0.17 0.00 0.00 0.00 0.00 61.98 60.42 2wct s VAL 632 Cb -0.06 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2wct s VAL 632 CO -0.02 -0.36 0.48 -0.69 0.00 0.00 0.00 175.10 174.52 2wct s VAL 633 N 1.41 5.10 -0.20 2.92 1.01 -0.19 -1.56 120.40 128.88 2wct s VAL 633 Ca 0.01 0.82 -0.08 0.00 0.00 0.00 0.00 61.98 62.73 2wct s VAL 633 Cb -0.21 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2wct s VAL 633 CO 0.02 0.11 0.09 -0.55 0.00 0.00 0.00 175.10 174.78 2wct s SER 634 N 1.52 5.76 0.31 3.32 0.15 0.28 -0.77 113.70 124.28 2wct s SER 634 Ca 0.20 0.08 0.09 0.00 0.70 0.00 0.00 55.95 57.02 2wct s SER 634 Cb -0.16 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.11 2wct s SER 634 CO 0.09 0.13 0.10 0.68 1.20 0.00 0.00 173.24 175.45 2wct s VAL 635 N 0.63 3.28 0.00 4.45 -7.23 -0.19 -4.14 120.40 117.19 2wct s VAL 635 Ca 0.05 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2wct s VAL 635 Cb -0.13 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.84 2wct s VAL 635 CO 0.01 -0.25 0.47 -1.20 -0.31 0.00 0.00 175.10 173.82 2wct n SER 636 N -1.08 0.00 -4.93 4.85 7.64 -1.26 -3.65 113.62 115.19 2wct n SER 636 Ca -0.04 0.47 -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 -2.18 5.98 0.36 6.43 1.04 -1.26 -4.61 113.70 119.47 2wct s SER 637 Ca 0.00 0.60 0.27 0.00 0.48 0.00 0.00 55.95 57.31 2wct s SER 637 Cb 0.00 -1.87 1.06 0.00 0.10 0.00 0.00 66.02 65.31 2wct s SER 637 CO 0.00 -0.68 1.80 -0.65 0.98 0.00 0.00 173.24 174.70 2wct h PRO 638 N 0.27 0.00 0.00 4.02 0.11 -1.90 -2.54 132.00 131.97 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 -0.30 -0.44 -0.21 0.00 0.00 178.00 177.65 2wct h ASP 639 N 0.00 0.00 1.65 -2.05 3.32 -1.99 -3.18 116.42 114.17 2wct h ASP 639 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2wct h ASP 639 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2wct h ASP 639 CO 0.00 0.30 -0.36 0.00 -1.72 0.00 0.00 179.24 177.46 2wct h ALA 640 N 1.70 0.79 0.08 3.45 0.00 -1.84 -3.34 119.26 120.10 2wct h ALA 640 Ca -0.00 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2wct h ALA 640 Cb 1.11 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2wct h ALA 640 CO 0.04 0.37 -0.28 0.28 0.00 0.00 0.00 179.25 179.66 2wct h VAL 641 N 0.00 0.38 -0.17 0.00 2.07 -1.58 0.14 116.25 117.09 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 1.23 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2wct h VAL 641 CO 0.04 0.00 -0.17 0.71 0.02 0.00 0.00 177.57 178.16 2wct h THR 642 N -0.47 1.21 0.12 2.57 1.35 -1.75 -1.55 112.91 114.40 2wct h THR 642 Ca 0.04 -0.96 -0.01 0.00 -0.55 0.00 0.00 66.41 64.94 2wct h THR 642 Cb 0.52 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2wct h THR 642 CO -0.19 0.30 -0.06 0.74 -0.25 0.00 0.00 175.52 176.06 2wct h THR 643 N 0.27 1.05 -0.90 6.82 2.02 -1.58 -1.36 112.91 119.24 2wct h THR 643 Ca 0.05 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.48 2wct h THR 643 Cb 0.47 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 2wct h THR 643 CO 0.03 0.18 0.59 0.22 0.37 0.00 0.00 175.52 176.92 2wct h TYR 644 N -0.52 1.13 0.00 3.16 3.20 -0.64 -0.82 116.97 122.47 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 -0.10 -2.11 2.35 -1.25 -1.38 115.58 114.31 2wct h ASN 645 Ca 0.33 0.00 -0.10 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 38.24 2wct h ASN 645 CO -0.07 0.34 -0.33 1.23 -1.65 0.00 0.00 177.43 176.95 2wct h GLY 646 N 1.41 0.43 2.00 2.83 0.00 -0.03 -2.23 103.07 107.48 2wct h GLY 646 Ca -0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 2wct h GLY 646 CO 0.04 0.51 -0.36 -0.97 0.00 0.00 0.00 176.54 175.77 2wct h TYR 647 N -0.05 0.00 0.04 5.60 0.05 -1.07 -2.38 116.97 119.16 2wct h TYR 647 Ca -0.01 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.56 2wct h TYR 647 Cb 0.96 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.72 2wct h TYR 647 CO 0.12 0.36 -0.83 1.25 -1.05 0.00 0.00 178.16 178.00 2wct h LEU 648 N 0.00 0.66 -0.10 3.88 5.85 -1.27 -3.38 115.31 120.95 2wct h LEU 648 Ca -0.00 -0.79 -0.12 0.00 0.84 0.00 0.00 57.88 57.80 2wct h LEU 648 Cb 0.75 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2wct h LEU 648 CO 0.05 1.37 -0.40 0.00 -0.34 0.00 0.00 178.44 179.12 2wct h THR 649 N 0.02 1.39 -2.51 1.05 1.03 -1.38 -3.47 112.91 109.04 2wct h THR 649 Ca -0.12 -1.75 -0.23 0.00 -0.01 0.00 0.00 66.41 64.31 2wct h THR 649 Cb 1.54 2.21 0.11 0.00 -1.07 0.00 0.00 68.15 70.95 2wct h THR 649 CO 0.16 0.52 0.04 -1.20 -0.01 0.00 0.00 175.52 175.03 2wct n SER 650 N -4.33 -1.87 -4.77 0.00 7.64 -0.90 -5.04 113.62 104.36 2wct n SER 650 Ca -0.08 -0.83 -0.31 0.00 1.01 0.00 0.00 58.87 58.66 2wct n SER 650 Cb 0.54 -0.58 0.09 0.00 -1.01 0.00 0.00 64.21 63.26 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 -3.12 4.48 0.00 6.43 1.04 -1.26 -4.99 113.70 116.27 2wct s SER 651 Ca 0.41 1.77 0.30 0.00 0.48 0.00 0.00 55.95 58.90 2wct s SER 651 Cb -0.04 -2.48 1.76 0.00 0.10 0.00 0.00 66.02 65.35 2wct s SER 651 CO 0.31 -2.04 2.10 -0.24 0.98 0.00 0.00 173.24 174.35