#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3afb h PRO 408 N 0.00 0.23 0.00 1.61 0.13 -2.03 -3.29 132.00 128.64 3afb h PRO 408 Ca 0.00 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 3afb h PRO 408 Cb 0.00 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.03 3afb h PRO 408 CO 0.00 0.33 -0.45 0.09 -0.23 0.00 0.00 178.00 177.74 3afb n ASN 409 N -4.32 0.97 -3.60 1.44 3.02 -1.26 -5.03 115.26 106.49 3afb n ASN 409 Ca -0.01 -2.48 -0.15 0.00 -0.03 0.00 0.00 54.58 51.91 3afb n ASN 409 Cb 0.23 -0.31 -0.07 0.00 -0.61 0.00 0.00 39.78 39.03 3afb n ASN 409 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3afb s ALA 410 N -1.10 -1.78 0.24 5.41 0.00 -1.24 -4.92 121.76 118.36 3afb s ALA 410 Ca 0.18 1.80 0.10 0.00 0.00 0.00 0.00 51.96 54.04 3afb s ALA 410 Cb 0.17 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3afb s ALA 410 CO -0.03 -0.35 -0.10 -0.80 0.00 0.00 0.00 175.76 174.49 3afb s ASN 411 N -0.12 4.12 0.30 0.00 0.01 -1.26 -0.86 114.94 117.13 3afb s ASN 411 Ca -0.03 -0.74 -0.29 0.00 -0.71 0.00 0.00 52.86 51.09 3afb s ASN 411 Cb -0.03 -0.62 -0.10 0.00 0.41 0.00 0.00 41.25 40.91 3afb s ASN 411 CO 0.04 0.05 1.23 -2.16 -1.51 0.00 0.00 177.10 174.75 3afb s PRO 412 N -3.29 4.47 -0.13 -0.60 0.04 -1.26 -4.87 135.00 129.36 3afb s PRO 412 Ca 0.28 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.23 3afb s PRO 412 Cb -0.07 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 3afb s PRO 412 CO 0.16 -0.04 0.31 0.42 0.04 0.00 0.00 177.00 177.89 3afb s ILE 413 N -1.04 5.28 0.81 0.56 1.01 -1.26 -4.89 121.20 121.67 3afb s ILE 413 Ca 0.48 0.59 -0.13 0.00 0.00 0.00 0.00 60.65 61.58 3afb s ILE 413 Cb -0.36 -3.64 0.07 0.00 0.01 0.00 0.00 42.46 38.54 3afb s ILE 413 CO 0.47 0.43 1.07 -0.81 0.00 0.00 0.00 174.94 176.10 3afb n PRO 414 N 3.20 0.14 -0.26 2.79 -0.04 -1.26 -4.89 135.00 134.69 3afb n PRO 414 Ca -0.13 0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 3afb n PRO 414 Cb 0.52 -2.33 0.32 0.00 -0.04 0.00 0.00 33.50 31.97 3afb n PRO 414 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3afb h GLU 415 N -0.92 0.82 -4.78 0.54 4.57 -1.93 -3.32 114.58 109.55 3afb h GLU 415 Ca -0.46 -0.05 -0.67 0.00 -1.18 0.00 0.00 59.36 57.00 3afb h GLU 415 Cb 1.30 -0.18 -0.38 0.00 -0.16 0.00 0.00 28.75 29.33 3afb h GLU 415 CO 0.45 0.54 -0.75 -1.01 -1.18 0.00 0.00 179.01 177.05 3afb s HIS 416 N -5.77 3.46 0.25 0.92 3.76 -1.26 -4.76 115.29 111.88 3afb s HIS 416 Ca -0.10 -2.54 0.11 0.00 -0.15 0.00 0.00 55.06 52.38 3afb s HIS 416 Cb 0.20 -2.36 -0.05 0.00 1.11 0.00 0.00 32.58 31.49 3afb s HIS 416 CO 0.79 -0.90 -0.20 -0.59 -0.85 0.00 0.00 174.74 172.99 3afb s PHE 417 N 1.04 2.17 -0.19 1.40 -0.12 -0.82 -4.60 117.98 116.86 3afb s PHE 417 Ca -0.01 -0.38 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 3afb s PHE 417 Cb -0.20 -0.98 0.04 0.00 -0.63 0.00 0.00 43.02 41.26 3afb s PHE 417 CO -0.06 0.60 -0.07 0.12 -0.05 0.00 0.00 175.22 175.76 3afb s PHE 418 N -2.41 2.05 -0.48 3.49 5.36 -1.26 -1.17 117.98 123.57 3afb s PHE 418 Ca 0.26 -1.36 0.05 0.00 -0.96 0.00 0.00 56.93 54.92 3afb s PHE 418 Cb -0.05 -1.47 0.18 0.00 -0.34 0.00 0.00 43.02 41.34 3afb s PHE 418 CO 0.12 -0.69 0.40 0.00 -1.46 0.00 0.00 175.22 173.60 3afb n ALA 419 N 4.78 2.98 -1.23 11.12 0.00 -0.92 -4.49 120.51 132.75 3afb n ALA 419 Ca -0.13 -3.49 -0.32 0.00 0.00 0.00 0.00 53.44 49.50 3afb n ALA 419 Cb 0.47 -0.82 0.09 0.00 0.00 0.00 0.00 19.45 19.19 3afb n ALA 419 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3afb s PRO 420 N -0.47 2.14 0.14 0.00 0.04 -1.25 -3.29 135.00 132.31 3afb s PRO 420 Ca 0.32 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 3afb s PRO 420 Cb 0.04 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 3afb s PRO 420 CO -0.18 -1.76 1.09 0.71 0.04 0.00 0.00 177.00 176.90 3afb s TYR 421 N -2.57 3.59 -0.17 0.56 1.51 -0.64 -0.96 117.35 118.68 3afb s TYR 421 Ca 0.66 1.57 -0.00 0.00 -1.01 0.00 0.00 57.07 58.29 3afb s TYR 421 Cb -0.21 -3.27 0.00 0.00 -0.11 0.00 0.00 41.96 38.38 3afb s TYR 421 CO 0.51 -0.60 -0.15 0.42 -1.11 0.00 0.00 175.55 174.63 3afb s ILE 422 N 0.11 2.65 -0.64 2.71 1.01 -0.24 -0.42 121.20 126.38 3afb s ILE 422 Ca 0.51 -0.76 -0.27 0.00 0.00 0.00 0.00 60.65 60.12 3afb s ILE 422 Cb -0.28 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.08 3afb s ILE 422 CO 0.33 0.51 1.35 -0.62 0.00 0.00 0.00 174.94 176.50 3afb s ASP 423 N 1.01 6.14 0.45 3.58 -1.08 -1.26 -1.14 116.67 124.37 3afb s ASP 423 Ca -0.01 -0.05 0.30 0.00 -0.52 0.00 0.00 52.55 52.27 3afb s ASP 423 Cb -0.15 -2.55 1.31 0.00 -1.46 0.00 0.00 42.92 40.07 3afb s ASP 423 CO -0.03 -1.77 1.91 0.24 0.52 0.00 0.00 175.17 176.04 3afb h MET 424 N 10.63 0.00 -0.00 4.34 2.86 -1.30 -2.97 114.93 128.49 3afb h MET 424 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3afb h MET 424 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3afb h MET 424 CO 1.22 0.00 -0.15 -1.13 1.06 0.00 0.00 176.91 177.91 3afb n SER 425 N -2.75 0.17 -4.77 1.22 3.41 -1.26 -4.90 113.62 104.73 3afb n SER 425 Ca 0.01 0.22 -0.41 0.00 -0.26 0.00 0.00 58.87 58.44 3afb n SER 425 Cb 0.25 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 3afb n SER 425 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3afb s LEU 426 N -2.97 4.44 0.55 1.04 1.43 -1.12 -4.91 118.68 117.13 3afb s LEU 426 Ca 0.14 2.63 0.33 0.00 -1.03 0.00 0.00 54.13 56.20 3afb s LEU 426 Cb 0.19 -3.64 1.47 0.00 0.03 0.00 0.00 46.19 44.23 3afb s LEU 426 CO 0.58 -0.49 2.03 0.77 0.23 0.00 0.00 176.35 179.47 3afb h SER 427 N 3.55 0.00 0.29 2.29 4.64 -1.93 -2.09 113.55 120.30 3afb h SER 427 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3afb h SER 427 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3afb h SER 427 CO 0.66 0.06 0.00 1.33 -0.87 0.00 0.00 176.83 178.01 3afb n VAL 428 N -3.23 0.15 -1.71 0.95 0.24 -1.26 -4.92 118.33 108.54 3afb n VAL 428 Ca -0.00 0.04 -0.56 0.00 -2.04 0.00 0.00 64.34 61.77 3afb n VAL 428 Cb 0.28 -0.64 -0.07 0.00 -1.47 0.00 0.00 33.84 31.94 3afb n VAL 428 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3afb n HIS 429 N -1.18 2.07 -2.91 6.34 -0.00 -0.79 -4.98 115.22 113.77 3afb n HIS 429 Ca 0.14 0.48 -0.25 0.00 0.46 0.00 0.00 57.72 58.55 3afb n HIS 429 Cb 0.15 -2.48 0.00 0.00 -0.12 0.00 0.00 29.99 27.55 3afb n HIS 429 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3afb s LYS 430 N 3.51 3.39 0.43 1.57 1.02 -1.26 -5.06 119.74 123.33 3afb s LYS 430 Ca 0.97 -0.11 -0.25 0.00 0.02 0.00 0.00 55.97 56.61 3afb s LYS 430 Cb -1.03 -2.49 -0.10 0.00 -0.52 0.00 0.00 37.83 33.70 3afb s LYS 430 CO 0.64 -0.15 1.20 -2.30 -0.92 0.00 0.00 175.35 173.82 3afb n PRO 431 N -2.11 1.74 -0.36 -1.68 -0.02 -1.26 -4.83 135.00 126.48 3afb n PRO 431 Ca -0.01 0.62 0.09 0.00 -2.02 0.00 0.00 63.50 62.18 3afb n PRO 431 Cb 0.56 -2.30 0.26 0.00 -0.02 0.00 0.00 33.50 32.00 3afb n PRO 431 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3afb h LEU 432 N 1.87 0.90 -1.50 2.45 3.38 -1.97 -0.70 115.31 119.74 3afb h LEU 432 Ca -0.47 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3afb h LEU 432 Cb 1.31 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3afb h LEU 432 CO 0.59 0.44 0.07 -0.37 0.09 0.00 0.00 178.44 179.26 3afb h VAL 433 N 0.94 1.14 -0.28 1.22 -1.51 -1.90 -0.36 116.25 115.50 3afb h VAL 433 Ca 0.52 -0.47 -0.09 0.00 -1.23 0.00 0.00 66.70 65.43 3afb h VAL 433 Cb 0.59 0.84 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 3afb h VAL 433 CO -0.29 0.17 -0.17 -0.08 -1.23 0.00 0.00 177.57 175.96 3afb h GLU 434 N 0.40 0.62 -0.82 5.19 4.81 -1.50 -2.21 114.58 121.07 3afb h GLU 434 Ca 0.10 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3afb h GLU 434 Cb 0.15 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 3afb h GLU 434 CO -0.00 0.87 0.54 1.88 -0.73 0.00 0.00 179.01 181.56 3afb h TYR 435 N 0.35 1.01 -0.27 0.92 0.99 -0.91 -1.26 116.97 117.80 3afb h TYR 435 Ca 0.06 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.84 3afb h TYR 435 Cb 0.70 -0.34 -0.03 0.00 1.00 0.00 0.00 36.73 38.07 3afb h TYR 435 CO 0.06 0.62 0.10 0.00 -0.00 0.00 0.00 178.16 178.94 3afb h ALA 436 N 1.50 0.31 -0.77 3.88 0.00 -0.84 0.16 119.26 123.50 3afb h ALA 436 Ca 0.31 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.26 3afb h ALA 436 Cb -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3afb h ALA 436 CO -0.08 -0.31 0.51 0.87 0.00 0.00 0.00 179.25 180.24 3afb h LYS 437 N 0.22 1.00 0.14 0.00 6.56 -0.90 -0.39 116.57 123.20 3afb h LYS 437 Ca 0.12 -0.06 -0.25 0.00 -1.06 0.00 0.00 60.65 59.39 3afb h LYS 437 Cb 0.08 -0.23 0.03 0.00 -0.57 0.00 0.00 32.23 31.54 3afb h LYS 437 CO -0.12 0.66 -1.07 -0.07 -2.06 0.00 0.00 179.45 176.79 3afb h LEU 438 N 1.03 0.71 0.00 2.94 3.38 -0.92 -3.34 115.31 119.11 3afb h LEU 438 Ca 0.29 -0.87 -0.16 0.00 0.09 0.00 0.00 57.88 57.22 3afb h LEU 438 Cb -0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3afb h LEU 438 CO -0.07 1.51 -0.94 0.71 0.09 0.00 0.00 178.44 179.74 3afb h THR 439 N 0.00 1.02 0.00 0.22 1.35 -0.73 -3.47 112.91 111.31 3afb h THR 439 Ca -0.17 -2.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 3afb h THR 439 Cb 1.80 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 70.68 3afb h THR 439 CO 0.20 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 3afb n GLY 440 N 1.33 1.61 3.63 5.82 0.00 -0.16 -4.10 105.19 113.32 3afb n GLY 440 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3afb n GLY 440 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3afb s THR 441 N -2.79 4.04 -0.54 2.61 -1.32 -1.24 -4.83 115.64 111.56 3afb s THR 441 Ca 0.00 -0.35 0.16 0.00 -1.21 0.00 0.00 61.69 60.29 3afb s THR 441 Cb 0.00 -2.68 0.63 0.00 -1.51 0.00 0.00 72.50 68.94 3afb s THR 441 CO 0.00 0.60 1.54 2.29 -2.21 0.00 0.00 174.62 176.84 3afb n LYS 442 N 2.21 3.65 -5.23 7.08 2.85 -1.26 -4.08 118.16 123.38 3afb n LYS 442 Ca -0.18 -2.85 -0.32 0.00 -1.05 0.00 0.00 58.31 53.91 3afb n LYS 442 Cb 0.53 -1.90 -0.17 0.00 -0.65 0.00 0.00 35.03 32.85 3afb n LYS 442 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3afb s TYR 443 N -2.33 2.51 0.04 5.58 1.51 -1.26 -1.86 117.35 121.54 3afb s TYR 443 Ca 0.46 -0.87 0.01 0.00 -1.01 0.00 0.00 57.07 55.66 3afb s TYR 443 Cb 0.33 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 3afb s TYR 443 CO 0.16 -0.31 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.18 3afb s PHE 444 N 0.08 0.52 -0.34 2.71 0.40 -1.13 -3.92 117.98 116.30 3afb s PHE 444 Ca -0.11 -0.59 -0.13 0.00 -0.60 0.00 0.00 56.93 55.50 3afb s PHE 444 Cb -0.16 -0.33 -0.02 0.00 0.51 0.00 0.00 43.02 43.02 3afb s PHE 444 CO 0.06 -0.15 0.23 0.99 0.70 0.00 0.00 175.22 177.05 3afb s THR 445 N -1.81 5.25 -0.24 0.64 2.01 -0.13 -1.12 115.64 120.25 3afb s THR 445 Ca -0.09 -0.21 -0.23 0.00 0.31 0.00 0.00 61.69 61.47 3afb s THR 445 Cb -0.07 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 3afb s THR 445 CO -0.01 0.01 0.77 -0.76 -0.69 0.00 0.00 174.62 173.93 3afb s LEU 446 N 1.72 4.09 0.08 4.42 1.43 0.58 -1.07 118.68 129.92 3afb s LEU 446 Ca 0.06 0.96 0.08 0.00 -1.03 0.00 0.00 54.13 54.20 3afb s LEU 446 Cb -0.17 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 3afb s LEU 446 CO 0.10 -0.46 -0.21 0.00 0.23 0.00 0.00 176.35 176.01 3afb s ALA 447 N 2.65 1.84 0.07 4.21 0.00 -0.29 -0.65 121.76 129.59 3afb s ALA 447 Ca 0.33 -1.18 0.07 0.00 0.00 0.00 0.00 51.96 51.18 3afb s ALA 447 Cb -0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 3afb s ALA 447 CO 0.08 0.39 -0.20 -0.06 0.00 0.00 0.00 175.76 175.98 3afb s PHE 448 N -0.99 1.72 -0.04 0.00 0.40 -1.26 -0.69 117.98 117.11 3afb s PHE 448 Ca 0.08 -0.40 -0.26 0.00 -0.60 0.00 0.00 56.93 55.74 3afb s PHE 448 Cb -0.09 -0.98 -0.03 0.00 0.51 0.00 0.00 43.02 42.42 3afb s PHE 448 CO 0.03 0.14 0.82 0.42 0.70 0.00 0.00 175.22 177.34 3afb s ILE 449 N -1.02 4.97 0.31 0.64 -1.09 0.04 -0.83 121.20 124.23 3afb s ILE 449 Ca 0.06 1.70 0.03 0.00 -2.23 0.00 0.00 60.65 60.21 3afb s ILE 449 Cb -0.09 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 3afb s ILE 449 CO 0.03 0.21 0.13 -0.76 -1.23 0.00 0.00 174.94 173.31 3afb s LEU 450 N 0.94 1.77 -0.00 2.97 1.43 -0.39 -2.16 118.68 123.24 3afb s LEU 450 Ca 0.43 -1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 51.72 3afb s LEU 450 Cb -0.19 0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.03 3afb s LEU 450 CO 0.22 -0.82 1.16 -0.47 0.23 0.00 0.00 176.35 176.67 3afb s TYR 451 N -3.55 3.36 -0.23 0.29 5.04 -0.59 -1.73 117.35 119.94 3afb s TYR 451 Ca 0.35 1.33 -0.09 0.00 -2.44 0.00 0.00 57.07 56.21 3afb s TYR 451 Cb 0.06 -3.37 -0.04 0.00 0.35 0.00 0.00 41.96 38.95 3afb s TYR 451 CO 0.16 -1.09 0.11 0.45 -1.34 0.00 0.00 175.55 173.84 3afb s SER 452 N 1.24 5.68 0.16 4.32 0.15 0.07 -4.57 113.70 120.76 3afb s SER 452 Ca 0.56 0.00 -0.05 0.00 0.70 0.00 0.00 55.95 57.16 3afb s SER 452 Cb -0.26 -2.01 0.02 0.00 -1.71 0.00 0.00 66.02 62.06 3afb s SER 452 CO 0.25 0.06 1.44 0.77 1.20 0.00 0.00 173.24 176.96 3afb h SER 453 N 7.55 0.69 -0.34 5.45 4.64 -1.86 -0.19 113.55 129.48 3afb h SER 453 Ca -0.37 -0.41 0.07 0.00 -0.47 0.00 0.00 61.79 60.61 3afb h SER 453 Cb 1.17 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 63.00 3afb h SER 453 CO 0.64 1.15 -0.09 0.58 -0.87 0.00 0.00 176.83 178.24 3afb h VAL 454 N 0.44 0.65 -0.02 0.95 2.07 -1.94 -2.55 116.25 115.84 3afb h VAL 454 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3afb h VAL 454 Cb 1.22 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3afb h VAL 454 CO 0.12 0.00 -0.06 -1.22 0.02 0.00 0.00 177.57 176.43 3afb n TYR 455 N -5.28 0.00 -4.17 1.57 4.01 -1.21 -4.96 117.16 107.11 3afb n TYR 455 Ca 0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.46 3afb n TYR 455 Cb 0.19 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.15 3afb n TYR 455 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3afb n ASN 456 N 0.58 0.33 0.00 7.72 5.15 -0.12 -4.87 115.26 124.04 3afb n ASN 456 Ca 0.16 -1.16 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 3afb n ASN 456 Cb 0.47 -2.21 0.00 0.00 -0.53 0.00 0.00 39.78 37.50 3afb n ASN 456 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3afb n GLY 457 N -2.29 -0.66 3.76 8.20 0.00 -0.97 -4.98 105.19 108.24 3afb n GLY 457 Ca -0.31 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 3afb n GLY 457 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3afb s PRO 458 N -0.50 4.35 0.12 1.61 0.04 -1.26 -0.75 135.00 138.61 3afb s PRO 458 Ca 0.00 2.18 -0.23 0.00 0.04 0.00 0.00 61.00 63.00 3afb s PRO 458 Cb 0.00 -3.11 0.06 0.00 0.04 0.00 0.00 34.50 31.49 3afb s PRO 458 CO 0.00 -0.24 0.57 0.00 0.04 0.00 0.00 177.00 177.37 3afb s ALA 459 N -0.62 -1.47 0.34 8.56 0.00 -0.70 -4.37 121.76 123.50 3afb s ALA 459 Ca 0.53 0.50 -0.28 0.00 0.00 0.00 0.00 51.96 52.71 3afb s ALA 459 Cb -0.39 0.70 -0.10 0.00 0.00 0.00 0.00 23.12 23.33 3afb s ALA 459 CO 0.47 -0.67 1.27 -1.58 0.00 0.00 0.00 175.76 175.25 3afb s TRP 460 N -3.33 3.08 -0.08 0.00 0.52 -0.06 -1.26 118.94 117.82 3afb s TRP 460 Ca -0.01 1.46 -0.01 0.00 0.02 0.00 0.00 56.10 57.56 3afb s TRP 460 Cb -0.00 -3.61 0.01 0.00 -1.15 0.00 0.00 33.47 28.71 3afb s TRP 460 CO -0.09 -1.70 0.02 0.00 0.02 0.00 0.00 176.95 175.21 3afb n ALA 461 N 0.71 -0.96 -1.10 0.98 0.00 -0.01 -0.58 120.51 119.55 3afb n ALA 461 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3afb n ALA 461 Cb 0.43 -0.56 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 3afb n ALA 461 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3afb n GLY 462 N -0.50 0.62 0.68 0.00 0.00 -1.07 -4.81 105.19 100.11 3afb n GLY 462 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 46.02 45.72 3afb n GLY 462 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3afb n SER 463 N 0.10 -0.06 -4.79 1.61 2.88 0.18 -3.73 113.62 109.81 3afb n SER 463 Ca -0.04 -0.26 -0.36 0.00 -1.33 0.00 0.00 58.87 56.88 3afb n SER 463 Cb 0.22 0.02 -0.07 0.00 -0.75 0.00 0.00 64.21 63.63 3afb n SER 463 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3afb s ILE 464 N 0.00 5.44 0.20 2.46 1.01 0.26 -4.91 121.20 125.65 3afb s ILE 464 Ca 0.00 0.19 -0.32 0.00 0.00 0.00 0.00 60.65 60.52 3afb s ILE 464 Cb 0.00 -3.44 -0.15 0.00 0.01 0.00 0.00 42.46 38.89 3afb s ILE 464 CO -0.00 0.51 1.32 -2.65 0.00 0.00 0.00 174.94 174.13 3afb n PRO 465 N 2.89 1.65 -0.27 2.79 -0.02 -1.26 -0.88 135.00 139.90 3afb n PRO 465 Ca -0.18 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 61.96 3afb n PRO 465 Cb 0.53 -2.19 0.21 0.00 -0.02 0.00 0.00 33.50 32.03 3afb n PRO 465 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3afb h LEU 466 N 4.05 0.27 -0.26 2.45 5.85 -1.94 -2.10 115.31 123.63 3afb h LEU 466 Ca -0.44 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3afb h LEU 466 Cb 1.30 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.44 3afb h LEU 466 CO 0.75 0.08 0.00 -1.84 -0.34 0.00 0.00 178.44 177.08 3afb n GLU 467 N -5.02 1.18 -0.27 1.25 0.00 -1.26 -4.32 120.64 112.19 3afb n GLU 467 Ca 0.16 -0.26 0.10 0.00 0.00 0.00 0.00 57.16 57.16 3afb n GLU 467 Cb 0.46 -1.34 0.35 0.00 0.00 0.00 0.00 31.44 30.91 3afb n GLU 467 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3afb h LYS 468 N 0.54 0.74 -0.59 3.44 3.64 -1.74 -2.70 116.57 119.90 3afb h LYS 468 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3afb h LYS 468 Cb 0.12 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3afb h LYS 468 CO 0.00 0.49 0.00 1.19 -2.27 0.00 0.00 179.45 178.86 3afb n PHE 469 N -4.55 1.12 -0.10 1.91 3.01 -1.26 -4.56 117.46 113.02 3afb n PHE 469 Ca 0.16 -0.58 -0.07 0.00 1.01 0.00 0.00 57.45 57.98 3afb n PHE 469 Cb 0.41 -0.14 0.01 0.00 -0.01 0.00 0.00 39.48 39.74 3afb n PHE 469 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3afb h VAL 470 N 3.62 0.97 -0.76 -4.37 2.07 -1.79 -1.46 116.25 114.52 3afb h VAL 470 Ca 0.00 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3afb h VAL 470 Cb 1.19 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3afb h VAL 470 CO 0.12 0.06 0.33 0.44 0.02 0.00 0.00 177.57 178.55 3afb h ASP 471 N 0.35 1.01 -0.66 0.57 3.32 -1.83 -0.34 116.42 118.84 3afb h ASP 471 Ca 0.15 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3afb h ASP 471 Cb 0.08 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 3afb h ASP 471 CO -0.12 0.88 0.23 -0.33 -1.72 0.00 0.00 179.24 178.18 3afb h GLU 472 N 1.09 1.03 -0.38 3.56 5.08 -1.74 -1.07 114.58 122.15 3afb h GLU 472 Ca 0.26 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 3afb h GLU 472 Cb 0.16 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3afb h GLU 472 CO -0.03 0.87 -0.23 0.28 -1.00 0.00 0.00 179.01 178.90 3afb h VAL 473 N 1.00 1.28 -0.56 3.13 2.07 -0.81 -0.88 116.25 121.49 3afb h VAL 473 Ca 0.23 -1.37 0.06 0.00 0.82 0.00 0.00 66.70 66.43 3afb h VAL 473 Cb 0.25 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 3afb h VAL 473 CO -0.01 0.46 0.26 -0.09 0.02 0.00 0.00 177.57 178.21 3afb h ARG 474 N 0.63 0.48 -0.47 1.57 2.43 -0.77 -0.23 114.38 118.01 3afb h ARG 474 Ca 0.08 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 3afb h ARG 474 Cb 0.79 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 3afb h ARG 474 CO 0.06 0.32 -0.07 0.93 -1.51 0.00 0.00 179.97 179.70 3afb h GLU 475 N 0.49 0.83 -0.78 0.20 4.39 -1.06 -2.18 114.58 116.47 3afb h GLU 475 Ca 0.26 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 3afb h GLU 475 Cb 0.21 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 3afb h GLU 475 CO -0.20 0.88 0.34 1.25 -1.16 0.00 0.00 179.01 180.12 3afb h LEU 476 N 0.76 1.05 -1.69 1.33 5.85 -0.72 -2.48 115.31 119.41 3afb h LEU 476 Ca 0.13 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3afb h LEU 476 Cb 0.56 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3afb h LEU 476 CO 0.03 0.91 -0.18 0.03 -0.34 0.00 0.00 178.44 178.90 3afb h ARG 477 N 1.13 0.00 0.00 1.25 3.08 -0.59 -1.02 114.38 118.24 3afb h ARG 477 Ca 0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3afb h ARG 477 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3afb h ARG 477 CO -0.03 0.18 -0.06 0.93 -1.07 0.00 0.00 179.97 179.92 3afb h GLU 478 N 0.00 0.00 -0.52 0.04 5.08 -0.92 -1.60 114.58 116.66 3afb h GLU 478 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3afb h GLU 478 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3afb h GLU 478 CO 0.02 0.06 0.00 0.44 -1.00 0.00 0.00 179.01 178.54 3afb n ILE 479 N -3.39 1.86 -0.59 3.13 -5.35 -0.90 -4.94 119.36 109.18 3afb n ILE 479 Ca -0.02 -1.32 0.00 0.00 -0.27 0.00 0.00 62.75 61.15 3afb n ILE 479 Cb 0.21 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 3afb n ILE 479 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3afb n GLY 480 N 0.68 0.75 3.84 3.28 0.00 -0.60 -5.06 105.19 108.09 3afb n GLY 480 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 3afb n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3afb s GLY 481 N -1.79 1.63 0.20 -0.02 0.00 -0.44 -4.79 107.32 102.12 3afb s GLY 481 Ca 0.00 -0.77 -0.21 0.00 0.00 0.00 0.00 44.72 43.75 3afb s GLY 481 CO 0.00 -0.15 0.60 1.85 0.00 0.00 0.00 173.10 175.40 3afb s GLU 482 N -5.54 1.43 0.15 2.90 2.56 -0.78 -4.08 118.70 115.34 3afb s GLU 482 Ca 0.66 -0.72 0.05 0.00 0.00 0.00 0.00 54.97 54.96 3afb s GLU 482 Cb -0.10 0.57 -0.04 0.00 2.00 0.00 0.00 34.13 36.55 3afb s GLU 482 CO 0.52 -0.63 -0.11 0.14 -0.56 0.00 0.00 175.26 174.62 3afb s VAL 483 N -3.83 1.28 -0.11 3.70 -7.23 -1.26 -2.83 120.40 110.11 3afb s VAL 483 Ca 0.06 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 3afb s VAL 483 Cb -0.02 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 3afb s VAL 483 CO -0.05 -0.68 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.30 3afb s ILE 484 N -3.12 3.10 -0.24 -0.62 1.01 -0.27 -4.49 121.20 116.57 3afb s ILE 484 Ca 0.17 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 3afb s ILE 484 Cb 0.01 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3afb s ILE 484 CO 0.02 0.54 0.34 -0.63 0.00 0.00 0.00 174.94 175.20 3afb s ILE 485 N 0.10 5.22 -0.02 2.92 -1.09 -0.81 -0.30 121.20 127.23 3afb s ILE 485 Ca -0.06 0.54 -0.01 0.00 -2.23 0.00 0.00 60.65 58.89 3afb s ILE 485 Cb -0.15 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 3afb s ILE 485 CO 0.04 0.23 0.08 0.00 -1.23 0.00 0.00 174.94 174.06 3afb s ALA 486 N 1.57 3.57 0.05 9.38 0.00 0.17 -0.58 121.76 135.92 3afb s ALA 486 Ca 0.15 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.33 3afb s ALA 486 Cb -0.15 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 3afb s ALA 486 CO 0.08 0.68 -0.21 -0.06 0.00 0.00 0.00 175.76 176.25 3afb s PHE 487 N -1.16 2.48 0.00 0.00 0.40 0.49 -0.78 117.98 119.41 3afb s PHE 487 Ca 0.22 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 3afb s PHE 487 Cb -0.12 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 41.99 3afb s PHE 487 CO 0.13 0.24 0.00 0.41 0.70 0.00 0.00 175.22 176.69 3afb n GLY 488 N 1.51 0.87 0.00 4.36 0.00 -0.92 -0.48 105.19 110.53 3afb n GLY 488 Ca -0.16 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3afb n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3afb n GLY 489 N 0.00 -1.71 0.23 -0.02 0.00 0.00 -4.69 105.19 99.00 3afb n GLY 489 Ca 0.00 -2.02 -0.05 0.00 0.00 0.00 0.00 46.02 43.95 3afb n GLY 489 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3afb h ALA 490 N 0.00 0.96 -3.37 4.61 0.00 -1.98 -3.38 119.26 116.10 3afb h ALA 490 Ca 0.00 -0.41 -0.56 0.00 0.00 0.00 0.00 54.91 53.94 3afb h ALA 490 Cb 0.00 -0.11 -0.34 0.00 0.00 0.00 0.00 17.79 17.34 3afb h ALA 490 CO 0.00 0.62 -0.83 0.14 0.00 0.00 0.00 179.25 179.18 3afb s VAL 491 N -4.30 1.36 0.00 0.00 -7.23 -1.26 -4.82 120.40 104.15 3afb s VAL 491 Ca -0.07 -0.60 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 3afb s VAL 491 Cb 0.13 -1.23 0.00 0.00 0.56 0.00 0.00 36.38 35.84 3afb s VAL 491 CO 0.81 0.41 0.00 0.61 -0.31 0.00 0.00 175.10 176.61 3afb n GLY 492 N 3.88 -1.66 3.70 2.32 0.00 -1.26 -4.81 105.19 107.36 3afb n GLY 492 Ca -0.21 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 3afb n GLY 492 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3afb s PRO 493 N -2.33 4.46 0.53 1.61 0.04 -1.26 -5.03 135.00 133.02 3afb s PRO 493 Ca 0.00 1.22 -0.18 0.00 0.04 0.00 0.00 61.00 62.08 3afb s PRO 493 Cb 0.00 -3.49 -0.07 0.00 0.04 0.00 0.00 34.50 30.98 3afb s PRO 493 CO 0.00 -0.13 1.05 0.71 0.04 0.00 0.00 177.00 178.67 3afb s TYR 494 N 1.38 3.00 0.28 0.56 4.12 -1.26 -1.55 117.35 123.88 3afb s TYR 494 Ca 0.46 1.55 0.02 0.00 0.02 0.00 0.00 57.07 59.12 3afb s TYR 494 Cb -0.19 -3.04 0.64 0.00 -1.52 0.00 0.00 41.96 37.85 3afb s TYR 494 CO 0.21 -0.95 1.76 -0.07 0.02 0.00 0.00 175.55 176.52 3afb h LEU 495 N 1.12 0.61 -0.21 -1.29 3.38 -1.86 -0.72 115.31 116.34 3afb h LEU 495 Ca -0.48 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3afb h LEU 495 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3afb h LEU 495 CO 0.58 0.22 0.00 0.00 0.09 0.00 0.00 178.44 179.33 3afb n GLN 497 N -1.79 0.69 0.03 0.00 6.02 -0.39 -4.51 117.38 117.42 3afb n GLN 497 Ca 0.04 0.34 -0.11 0.00 -0.01 0.00 0.00 57.00 57.25 3afb n GLN 497 Cb 0.24 -1.69 0.01 0.00 1.02 0.00 0.00 30.24 29.82 3afb n GLN 497 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3afb h GLN 498 N -0.27 0.51 -6.75 -1.09 5.75 -0.93 -3.46 115.11 108.88 3afb h GLN 498 Ca -0.43 -0.40 -0.53 0.00 -0.15 0.00 0.00 58.65 57.14 3afb h GLN 498 Cb 1.81 0.08 0.07 0.00 1.07 0.00 0.00 27.48 30.51 3afb h GLN 498 CO -0.03 1.03 0.93 0.00 -2.65 0.00 0.00 178.83 178.11 3afb s ALA 499 N -3.70 3.82 0.06 3.38 0.00 -0.22 -4.91 121.76 120.18 3afb s ALA 499 Ca -0.07 1.58 0.10 0.00 0.00 0.00 0.00 51.96 53.57 3afb s ALA 499 Cb 0.10 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 3afb s ALA 499 CO 0.85 -0.96 1.37 0.66 0.00 0.00 0.00 175.76 177.68 3afb h SER 500 N 5.59 0.00 -4.44 0.00 4.64 -1.91 -3.47 113.55 113.96 3afb h SER 500 Ca -0.45 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.58 3afb h SER 500 Cb 1.21 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.13 3afb h SER 500 CO 0.86 0.81 -0.72 0.42 -0.87 0.00 0.00 176.83 177.32 3afb s THR 501 N -2.88 0.85 0.54 2.95 -4.23 -1.26 -5.03 115.64 106.57 3afb s THR 501 Ca 0.02 -1.72 0.22 0.00 -1.18 0.00 0.00 61.69 59.03 3afb s THR 501 Cb 0.10 -1.43 0.30 0.00 1.34 0.00 0.00 72.50 72.80 3afb s THR 501 CO 0.79 -0.66 2.18 1.55 -0.54 0.00 0.00 174.62 177.94 3afb h PRO 502 N 3.39 0.00 -0.35 3.99 0.13 -1.90 -2.10 132.00 135.16 3afb h PRO 502 Ca -0.36 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.70 3afb h PRO 502 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3afb h PRO 502 CO 0.56 0.02 -0.02 0.93 -0.23 0.00 0.00 178.00 179.26 3afb h GLU 503 N 0.00 0.64 -0.75 0.86 3.07 -1.94 0.38 114.58 116.84 3afb h GLU 503 Ca -0.00 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.61 3afb h GLU 503 Cb 0.04 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 3afb h GLU 503 CO 0.00 0.76 0.34 0.37 -1.40 0.00 0.00 179.01 179.08 3afb h GLN 504 N 0.44 1.09 -0.19 2.33 5.75 -1.90 -0.99 115.11 121.64 3afb h GLN 504 Ca 0.10 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 3afb h GLN 504 Cb 0.49 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 3afb h GLN 504 CO 0.02 0.87 0.04 1.25 -2.65 0.00 0.00 178.83 178.36 3afb h LEU 505 N 1.06 0.30 -0.99 -2.39 5.85 -1.22 -2.00 115.31 115.91 3afb h LEU 505 Ca 0.25 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3afb h LEU 505 Cb 0.16 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3afb h LEU 505 CO -0.03 0.46 0.62 0.00 -0.34 0.00 0.00 178.44 179.16 3afb h ALA 506 N 0.85 1.26 -0.82 1.25 0.00 -0.81 -1.01 119.26 119.97 3afb h ALA 506 Ca 0.06 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3afb h ALA 506 Cb 0.28 -0.40 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 3afb h ALA 506 CO 0.00 0.67 0.50 1.49 0.00 0.00 0.00 179.25 181.91 3afb h GLU 507 N 1.34 0.89 -0.19 0.00 4.81 -0.91 0.70 114.58 121.23 3afb h GLU 507 Ca 0.36 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 3afb h GLU 507 Cb -0.11 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.06 3afb h GLU 507 CO -0.07 0.59 -0.04 -1.49 -0.73 0.00 0.00 179.01 177.27 3afb h TRP 508 N 0.92 0.40 -0.72 0.92 6.55 -0.61 -1.12 115.95 122.30 3afb h TRP 508 Ca 0.36 -0.08 0.01 0.00 0.95 0.00 0.00 58.89 60.13 3afb h TRP 508 Cb 0.17 -0.10 -0.04 0.00 -0.86 0.00 0.00 29.16 28.33 3afb h TRP 508 CO -0.04 0.60 0.47 1.88 -1.05 0.00 0.00 178.44 180.31 3afb h TYR 509 N 0.08 0.89 -0.35 0.49 0.99 -0.95 -2.23 116.97 115.89 3afb h TYR 509 Ca 0.05 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.73 3afb h TYR 509 Cb 0.47 -0.30 -0.02 0.00 1.00 0.00 0.00 36.73 37.88 3afb h TYR 509 CO 0.05 0.55 -0.09 0.82 -0.00 0.00 0.00 178.16 179.49 3afb h ILE 510 N 0.95 1.23 -0.93 -2.88 2.04 -0.79 -0.90 117.51 116.25 3afb h ILE 510 Ca 0.27 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3afb h ILE 510 Cb -0.07 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3afb h ILE 510 CO -0.07 0.34 0.59 0.50 0.00 0.00 0.00 178.15 179.50 3afb h LYS 511 N 0.55 1.24 -0.06 2.37 3.64 -0.74 0.48 116.57 124.05 3afb h LYS 511 Ca 0.10 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3afb h LYS 511 Cb 0.48 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3afb h LYS 511 CO 0.03 0.84 -0.00 0.28 -2.27 0.00 0.00 179.45 178.33 3afb h VAL 512 N 1.27 1.26 -0.40 2.00 2.07 -0.87 -0.96 116.25 120.62 3afb h VAL 512 Ca 0.34 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 67.12 3afb h VAL 512 Cb -0.10 1.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 3afb h VAL 512 CO -0.07 0.22 0.00 0.40 0.02 0.00 0.00 177.57 178.14 3afb h ILE 513 N -0.20 0.70 -0.23 4.57 2.04 -0.96 -2.59 117.51 120.86 3afb h ILE 513 Ca 0.02 -0.04 -0.11 0.00 1.00 0.00 0.00 64.86 65.73 3afb h ILE 513 Cb 0.35 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3afb h ILE 513 CO 0.00 0.02 -0.34 0.44 0.00 0.00 0.00 178.15 178.27 3afb h ASP 514 N 0.11 0.50 -0.53 1.72 3.32 -0.82 0.15 116.42 120.86 3afb h ASP 514 Ca 0.20 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3afb h ASP 514 Cb 0.28 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3afb h ASP 514 CO -0.33 0.80 0.08 0.74 -1.72 0.00 0.00 179.24 178.82 3afb h THR 515 N 0.41 1.25 -0.10 0.35 2.02 -0.88 -3.20 112.91 112.77 3afb h THR 515 Ca 0.05 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.26 3afb h THR 515 Cb 0.79 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3afb h THR 515 CO 0.06 0.36 0.00 -1.22 0.37 0.00 0.00 175.52 175.09 3afb n TYR 516 N -4.23 0.10 -4.06 3.16 4.02 -1.00 -4.96 117.16 110.19 3afb n TYR 516 Ca 0.04 -0.07 -0.28 0.00 -0.01 0.00 0.00 57.90 57.58 3afb n TYR 516 Cb 0.28 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.56 3afb n TYR 516 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3afb n ASN 517 N 1.03 -0.75 -4.77 7.72 4.05 0.35 -4.87 115.26 118.02 3afb n ASN 517 Ca 0.12 -1.05 -0.38 0.00 0.45 0.00 0.00 54.58 53.72 3afb n ASN 517 Cb 0.46 -2.78 -0.01 0.00 1.23 0.00 0.00 39.78 38.69 3afb n ASN 517 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3afb s ALA 518 N -3.88 3.06 -0.69 5.20 0.00 -0.11 -4.89 121.76 120.45 3afb s ALA 518 Ca 0.16 1.04 0.06 0.00 0.00 0.00 0.00 51.96 53.21 3afb s ALA 518 Cb -0.09 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.66 3afb s ALA 518 CO 0.91 -0.73 0.67 0.25 0.00 0.00 0.00 175.76 176.86 3afb n THR 519 N -0.28 0.00 -3.66 0.00 -2.24 -1.26 -4.83 114.28 102.01 3afb n THR 519 Ca 0.06 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.26 3afb n THR 519 Cb 0.46 1.11 -0.08 0.00 -2.10 0.00 0.00 70.33 69.73 3afb n THR 519 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3afb s TYR 520 N -0.48 -0.92 0.11 4.78 6.04 -1.26 -1.36 117.35 124.26 3afb s TYR 520 Ca 0.06 1.85 0.10 0.00 0.04 0.00 0.00 57.07 59.12 3afb s TYR 520 Cb 0.05 0.51 -0.04 0.00 -1.04 0.00 0.00 41.96 41.44 3afb s TYR 520 CO 0.07 -0.47 -0.24 -0.51 -1.54 0.00 0.00 175.55 172.86 3afb s LEU 521 N 1.63 2.39 -0.10 6.97 1.43 0.02 -1.92 118.68 129.10 3afb s LEU 521 Ca -0.10 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 3afb s LEU 521 Cb -0.07 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.85 3afb s LEU 521 CO -0.17 0.20 -0.16 -0.62 0.23 0.00 0.00 176.35 175.82 3afb s ASP 522 N -1.90 2.42 -0.41 2.29 2.15 0.25 -0.25 116.67 121.21 3afb s ASP 522 Ca 0.14 -0.43 -0.07 0.00 0.43 0.00 0.00 52.55 52.63 3afb s ASP 522 Cb -0.10 -1.10 0.09 0.00 -0.30 0.00 0.00 42.92 41.51 3afb s ASP 522 CO 0.06 0.05 0.23 -0.36 -0.17 0.00 0.00 175.17 174.98 3afb s PHE 523 N 0.76 3.40 -0.96 -5.34 0.40 0.08 -0.38 117.98 115.93 3afb s PHE 523 Ca -0.11 -1.82 -0.16 0.00 -0.60 0.00 0.00 56.93 54.24 3afb s PHE 523 Cb -0.16 -2.99 0.17 0.00 0.51 0.00 0.00 43.02 40.55 3afb s PHE 523 CO 0.02 -0.89 1.09 0.00 0.70 0.00 0.00 175.22 176.14 3afb s ALA 524 N 1.33 3.74 -0.52 5.36 0.00 0.37 -0.83 121.76 131.22 3afb s ALA 524 Ca 0.04 -3.08 -0.16 0.00 0.00 0.00 0.00 51.96 48.76 3afb s ALA 524 Cb -0.23 -3.90 0.10 0.00 0.00 0.00 0.00 23.12 19.09 3afb s ALA 524 CO -0.00 -2.72 0.49 0.42 0.00 0.00 0.00 175.76 173.95 3afb s ILE 525 N 1.62 5.14 -0.14 0.00 -1.09 -0.58 -0.82 121.20 125.33 3afb s ILE 525 Ca 0.31 -1.16 0.11 0.00 -2.23 0.00 0.00 60.65 57.68 3afb s ILE 525 Cb -0.06 -4.27 -0.16 0.00 -1.58 0.00 0.00 42.46 36.39 3afb s ILE 525 CO -0.08 -0.77 0.03 -0.62 -1.23 0.00 0.00 174.94 172.27 3afb n GLU 526 N 5.45 1.70 -2.94 2.79 1.02 -1.26 -4.39 120.64 123.01 3afb n GLU 526 Ca -0.12 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.79 3afb n GLU 526 Cb 0.42 -1.34 0.01 0.00 -0.02 0.00 0.00 31.44 30.51 3afb n GLU 526 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3afb s ALA 527 N -2.32 3.77 0.22 0.62 0.00 -1.26 -4.98 121.76 117.80 3afb s ALA 527 Ca -0.08 -1.08 -0.31 0.00 0.00 0.00 0.00 51.96 50.49 3afb s ALA 527 Cb 0.04 -2.14 -0.10 0.00 0.00 0.00 0.00 23.12 20.92 3afb s ALA 527 CO 0.53 -0.42 1.53 0.20 0.00 0.00 0.00 175.76 177.61 3afb s GLY 528 N -4.24 1.91 0.24 0.00 0.00 -1.26 -5.02 107.32 98.95 3afb s GLY 528 Ca 0.49 1.40 0.00 0.00 0.00 0.00 0.00 44.72 46.62 3afb s GLY 528 CO 0.38 2.50 0.12 -0.26 0.00 0.00 0.00 173.10 175.84 3afb s ILE 529 N 0.55 0.30 -0.61 0.90 -4.36 -1.26 -5.01 121.20 111.70 3afb s ILE 529 Ca 0.65 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.85 3afb s ILE 529 Cb -0.44 -2.57 0.10 0.00 1.25 0.00 0.00 42.46 40.80 3afb s ILE 529 CO 0.38 0.00 0.76 -0.62 0.24 0.00 0.00 174.94 175.71 3afb s ASP 530 N -3.25 6.20 0.38 4.36 -1.08 -1.26 -4.92 116.67 117.09 3afb s ASP 530 Ca 0.38 -1.38 0.12 0.00 -0.52 0.00 0.00 52.55 51.15 3afb s ASP 530 Cb 0.07 -2.32 0.75 0.00 -1.46 0.00 0.00 42.92 39.96 3afb s ASP 530 CO 0.13 -1.17 1.86 0.00 0.52 0.00 0.00 175.17 176.51 3afb h ALA 531 N 9.24 1.44 -0.46 3.66 0.00 -1.97 -1.97 119.26 129.18 3afb h ALA 531 Ca -0.28 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 3afb h ALA 531 Cb 1.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3afb h ALA 531 CO 1.11 0.41 0.09 0.22 0.00 0.00 0.00 179.25 181.09 3afb h ASP 532 N 0.06 0.72 -0.43 0.00 1.82 -1.98 0.25 116.42 116.86 3afb h ASP 532 Ca 0.01 -0.25 -0.05 0.00 -0.39 0.00 0.00 57.03 56.35 3afb h ASP 532 Cb 0.56 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 3afb h ASP 532 CO 0.04 0.79 0.06 0.50 -1.61 0.00 0.00 179.24 179.02 3afb h LYS 533 N 0.63 0.72 -0.31 0.28 3.64 -1.88 -1.25 116.57 118.39 3afb h LYS 533 Ca 0.14 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3afb h LYS 533 Cb 0.36 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3afb h LYS 533 CO 0.01 0.75 0.21 1.25 -2.27 0.00 0.00 179.45 179.40 3afb h LEU 534 N 0.58 0.36 -0.55 5.20 5.85 -1.22 -1.09 115.31 124.43 3afb h LEU 534 Ca 0.13 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3afb h LEU 534 Cb 0.39 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3afb h LEU 534 CO 0.01 0.26 0.34 0.00 -0.34 0.00 0.00 178.44 178.71 3afb h ALA 535 N 1.11 0.70 -0.99 1.25 0.00 -0.84 0.12 119.26 120.61 3afb h ALA 535 Ca 0.11 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3afb h ALA 535 Cb -0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 3afb h ALA 535 CO -0.02 0.16 0.66 -0.44 0.00 0.00 0.00 179.25 179.61 3afb h ASP 536 N 0.74 1.13 -0.36 0.00 3.32 -0.97 0.22 116.42 120.50 3afb h ASP 536 Ca 0.20 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3afb h ASP 536 Cb -0.04 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3afb h ASP 536 CO -0.04 0.80 -0.00 0.00 -1.72 0.00 0.00 179.24 178.28 3afb h ALA 537 N 1.39 0.48 0.00 3.45 0.00 -0.71 -3.02 119.26 120.85 3afb h ALA 537 Ca 0.37 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3afb h ALA 537 Cb -0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3afb h ALA 537 CO -0.09 0.25 -0.39 -0.07 0.00 0.00 0.00 179.25 178.95 3afb h LEU 538 N 0.44 0.00 -0.87 0.00 3.38 -0.46 -0.79 115.31 117.02 3afb h LEU 538 Ca 0.10 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3afb h LEU 538 Cb 0.46 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3afb h LEU 538 CO 0.02 0.39 0.57 -0.07 0.09 0.00 0.00 178.44 179.43 3afb h LEU 539 N 0.00 0.96 -0.02 1.67 3.38 -0.89 -0.19 115.31 120.23 3afb h LEU 539 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3afb h LEU 539 Cb 0.72 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3afb h LEU 539 CO 0.05 0.67 0.00 0.40 0.09 0.00 0.00 178.44 179.66 3afb h ILE 540 N 1.13 1.18 -0.26 1.22 2.04 -1.23 -2.56 117.51 119.03 3afb h ILE 540 Ca 0.34 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.70 3afb h ILE 540 Cb -0.05 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3afb h ILE 540 CO -0.10 0.14 0.09 0.58 0.00 0.00 0.00 178.15 178.86 3afb h VAL 541 N -0.19 0.93 0.00 1.67 2.07 -0.93 -0.64 116.25 119.16 3afb h VAL 541 Ca 0.01 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 3afb h VAL 541 Cb 0.22 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3afb h VAL 541 CO -0.00 0.04 -0.31 0.06 0.02 0.00 0.00 177.57 177.38 3afb h GLN 542 N 0.21 0.00 -0.24 1.57 3.07 -1.08 0.35 115.11 119.00 3afb h GLN 542 Ca 0.12 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.69 3afb h GLN 542 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.65 3afb h GLN 542 CO -0.12 0.31 -0.48 -0.09 0.09 0.00 0.00 178.83 178.54 3afb h ARG 543 N 0.00 0.75 0.00 0.06 2.43 -0.97 -2.91 114.38 113.74 3afb h ARG 543 Ca -0.00 -0.49 -0.24 0.00 -0.81 0.00 0.00 59.98 58.45 3afb h ARG 543 Cb 0.70 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.27 3afb h ARG 543 CO 0.04 1.11 -1.24 0.93 -1.51 0.00 0.00 179.97 179.30 3afb h GLU 544 N 0.49 0.00 -2.13 0.20 5.08 -0.68 -3.38 114.58 114.15 3afb h GLU 544 Ca 0.01 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.80 3afb h GLU 544 Cb 1.09 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.93 3afb h GLU 544 CO 0.11 0.80 -0.83 0.54 -1.00 0.00 0.00 179.01 178.63 3afb n ARG 545 N -3.23 1.96 0.00 2.33 5.12 0.12 -4.98 116.66 117.97 3afb n ARG 545 Ca -0.06 -4.13 0.04 0.00 -1.93 0.00 0.00 57.85 51.77 3afb n ARG 545 Cb 0.97 -1.89 0.19 0.00 -1.16 0.00 0.00 32.46 30.57 3afb n ARG 545 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3afb n PRO 546 N 0.70 0.06 0.00 5.56 -0.04 -1.10 -2.07 135.00 138.10 3afb n PRO 546 Ca 0.27 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 3afb n PRO 546 Cb 0.47 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.73 3afb n PRO 546 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3afb n TRP 547 N -1.39 0.00 -3.24 0.54 2.14 -1.26 -4.91 117.44 109.31 3afb n TRP 547 Ca 0.03 0.00 -0.39 0.00 2.07 0.00 0.00 57.50 59.20 3afb n TRP 547 Cb 0.08 -0.06 -0.07 0.00 -0.81 0.00 0.00 31.31 30.45 3afb n TRP 547 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 3afb s VAL 548 N -2.34 5.09 0.34 -1.67 1.01 -0.88 -4.85 120.40 117.11 3afb s VAL 548 Ca 0.26 0.92 -0.16 0.00 0.00 0.00 0.00 61.98 63.00 3afb s VAL 548 Cb 0.19 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 3afb s VAL 548 CO 0.47 0.14 0.78 -0.54 0.00 0.00 0.00 175.10 175.95 3afb s LYS 549 N 1.91 4.06 -0.12 2.72 1.02 -0.46 -4.92 119.74 123.94 3afb s LYS 549 Ca 0.23 0.77 0.01 0.00 0.02 0.00 0.00 55.97 57.00 3afb s LYS 549 Cb -0.15 -2.38 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 3afb s LYS 549 CO 0.09 0.12 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.42 3afb s PHE 550 N -2.02 2.73 0.04 3.18 2.99 -1.26 -0.80 117.98 122.83 3afb s PHE 550 Ca 0.56 -0.75 0.07 0.00 0.00 0.00 0.00 56.93 56.81 3afb s PHE 550 Cb -0.10 -1.79 -0.03 0.00 0.00 0.00 0.00 43.02 41.09 3afb s PHE 550 CO 0.16 -0.26 -0.16 0.45 -0.00 0.00 0.00 175.22 175.41 3afb s SER 551 N 0.30 3.92 -0.17 1.36 0.15 0.66 -1.30 113.70 118.62 3afb s SER 551 Ca -0.13 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.13 3afb s SER 551 Cb -0.16 -0.67 0.03 0.00 -1.71 0.00 0.00 66.02 63.51 3afb s SER 551 CO 0.06 0.25 -0.13 -0.36 1.20 0.00 0.00 173.24 174.26 3afb s PHE 552 N -0.96 2.30 -0.21 3.44 0.40 -0.14 -0.75 117.98 122.07 3afb s PHE 552 Ca 0.15 -1.38 -0.04 0.00 -0.60 0.00 0.00 56.93 55.07 3afb s PHE 552 Cb -0.11 -1.64 -0.01 0.00 0.51 0.00 0.00 43.02 41.78 3afb s PHE 552 CO 0.06 -0.71 -0.05 0.99 0.70 0.00 0.00 175.22 176.22 3afb s THR 553 N 1.44 3.36 0.01 0.64 2.01 -0.01 -0.38 115.64 122.71 3afb s THR 553 Ca 0.03 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 3afb s THR 553 Cb -0.14 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 3afb s THR 553 CO -0.10 0.43 0.01 -0.76 -0.69 0.00 0.00 174.62 173.51 3afb s LEU 554 N 1.35 2.04 0.59 4.42 1.43 -1.06 -1.53 118.68 125.92 3afb s LEU 554 Ca 0.04 -0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 52.65 3afb s LEU 554 Cb -0.14 0.18 -0.04 0.00 0.03 0.00 0.00 46.19 46.21 3afb s LEU 554 CO -0.03 -0.23 1.12 -2.65 0.23 0.00 0.00 176.35 174.80 3afb n PRO 555 N 2.00 1.15 -4.12 1.29 -0.02 -1.26 -0.59 135.00 133.45 3afb n PRO 555 Ca -0.20 0.44 -0.12 0.00 -2.02 0.00 0.00 63.50 61.60 3afb n PRO 555 Cb 0.56 -2.32 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 3afb n PRO 555 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3afb s SER 556 N -1.16 0.25 -0.24 2.55 1.04 -1.21 -3.45 113.70 111.47 3afb s SER 556 Ca 0.75 -1.26 -0.20 0.00 0.48 0.00 0.00 55.95 55.73 3afb s SER 556 Cb -0.42 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.27 3afb s SER 556 CO 0.47 -1.02 0.63 -0.62 0.98 0.00 0.00 173.24 173.67 3afb s ASP 557 N -3.13 -0.69 0.00 7.02 -1.08 -0.53 -4.75 116.67 113.51 3afb s ASP 557 Ca 0.32 1.28 0.12 0.00 -0.52 0.00 0.00 52.55 53.76 3afb s ASP 557 Cb 0.03 1.27 0.55 0.00 -1.46 0.00 0.00 42.92 43.31 3afb s ASP 557 CO 0.13 -0.22 1.37 -0.81 0.52 0.00 0.00 175.17 176.16 3afb n PRO 558 N 3.08 0.05 0.11 4.34 -0.04 -1.26 -0.49 135.00 140.79 3afb n PRO 558 Ca -0.15 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 3afb n PRO 558 Cb 0.56 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.66 3afb n PRO 558 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3afb h GLY 559 N 2.09 0.00 0.00 0.55 0.00 -1.94 -3.42 103.07 100.35 3afb h GLY 559 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3afb h GLY 559 CO 0.00 0.00 -0.04 0.29 0.00 0.00 0.00 176.54 176.79 3afb n ILE 560 N -2.51 0.00 -1.14 2.60 -5.35 -0.55 -5.13 119.36 107.28 3afb n ILE 560 Ca 0.03 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 3afb n ILE 560 Cb 0.49 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 3afb n ILE 560 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3afb n GLY 561 N 0.12 0.40 3.77 3.28 0.00 0.36 -4.80 105.19 108.33 3afb n GLY 561 Ca 0.00 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 3afb n GLY 561 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3afb s LEU 562 N 0.00 3.93 0.00 0.99 1.43 -1.26 -1.45 118.68 122.32 3afb s LEU 562 Ca 0.00 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 3afb s LEU 562 Cb 0.00 -4.36 0.00 0.00 0.03 0.00 0.00 46.19 41.86 3afb s LEU 562 CO 0.00 -0.97 0.00 0.00 0.23 0.00 0.00 176.35 175.61 3afb n ALA 563 N -0.74 0.00 0.29 4.21 0.00 -1.22 -4.58 120.51 118.47 3afb n ALA 563 Ca 0.09 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.68 3afb n ALA 563 Cb 0.49 0.00 0.93 0.00 0.00 0.00 0.00 19.45 20.87 3afb n ALA 563 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3afb h GLY 564 N 0.00 0.00 1.73 0.00 0.00 -1.97 -0.88 103.07 101.96 3afb h GLY 564 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3afb h GLY 564 CO 0.00 0.00 0.11 -1.33 0.00 0.00 0.00 176.54 175.32 3afb h GLY 565 N 0.00 0.00 0.99 4.60 0.00 -1.88 -1.47 103.07 105.30 3afb h GLY 565 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.35 3afb h GLY 565 CO -0.00 0.00 0.60 -1.82 0.00 0.00 0.00 176.54 175.32 3afb h TYR 566 N 0.00 1.13 -0.22 5.60 3.20 -1.40 -1.61 116.97 123.67 3afb h TYR 566 Ca 0.04 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3afb h TYR 566 Cb 0.26 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3afb h TYR 566 CO 0.00 0.70 0.05 0.78 -1.64 0.00 0.00 178.16 178.05 3afb h GLY 567 N 1.21 0.33 0.84 1.82 0.00 -1.45 -0.34 103.07 105.47 3afb h GLY 567 Ca 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 3afb h GLY 567 CO -0.08 0.15 0.04 -2.22 0.00 0.00 0.00 176.54 174.42 3afb h ILE 568 N 0.31 1.21 -0.47 2.60 2.04 -1.30 -1.23 117.51 120.66 3afb h ILE 568 Ca 0.08 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 3afb h ILE 568 Cb 0.13 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3afb h ILE 568 CO -0.00 0.21 0.06 0.40 0.00 0.00 0.00 178.15 178.82 3afb h ILE 569 N 0.09 1.25 -0.63 -0.67 1.08 -1.08 -0.43 117.51 117.12 3afb h ILE 569 Ca 0.06 -0.94 0.11 0.00 -0.39 0.00 0.00 64.86 63.69 3afb h ILE 569 Cb 0.29 0.94 -0.08 0.00 -3.07 0.00 0.00 36.82 34.90 3afb h ILE 569 CO 0.00 0.33 0.21 -0.33 -0.69 0.00 0.00 178.15 177.67 3afb h GLU 570 N 0.65 0.36 -0.22 2.37 5.08 -1.00 -0.74 114.58 121.09 3afb h GLU 570 Ca 0.14 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3afb h GLU 570 Cb 0.41 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3afb h GLU 570 CO 0.01 0.24 0.07 1.15 -1.00 0.00 0.00 179.01 179.48 3afb h THR 571 N 0.37 1.19 -0.16 1.13 2.02 -0.84 -1.33 112.91 115.29 3afb h THR 571 Ca 0.32 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.94 3afb h THR 571 Cb 0.44 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 3afb h THR 571 CO -0.34 0.19 -0.12 0.24 0.37 0.00 0.00 175.52 175.86 3afb h MET 572 N 0.18 -0.12 -0.60 6.66 2.86 -0.63 -0.97 114.93 122.31 3afb h MET 572 Ca 0.07 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3afb h MET 572 Cb 0.23 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3afb h MET 572 CO -0.00 -0.08 0.37 0.00 1.06 0.00 0.00 176.91 178.26 3afb h ALA 573 N 1.00 0.77 -0.62 6.32 0.00 -1.04 0.07 119.26 125.76 3afb h ALA 573 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3afb h ALA 573 Cb 0.27 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3afb h ALA 573 CO -0.23 0.24 0.39 -0.22 0.00 0.00 0.00 179.25 179.43 3afb h LYS 574 N 0.81 0.84 0.00 0.00 3.11 -0.99 -2.88 116.57 117.46 3afb h LYS 574 Ca 0.22 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 3afb h LYS 574 Cb -0.03 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.02 3afb h LYS 574 CO -0.04 0.58 0.00 0.87 -2.81 0.00 0.00 179.45 178.05 3afb h LYS 575 N 0.85 0.00 0.00 1.90 1.79 -0.83 -3.47 116.57 116.81 3afb h LYS 575 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 3afb h LYS 575 Cb -0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3afb h LYS 575 CO -0.05 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.73 3afb n GLY 576 N 0.51 0.71 3.73 3.86 0.00 -0.59 -5.04 105.19 108.37 3afb n GLY 576 Ca 0.03 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 3afb n GLY 576 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3afb s VAL 577 N -2.00 4.72 0.32 1.61 1.01 -0.09 -5.01 120.40 120.97 3afb s VAL 577 Ca 0.00 1.78 -0.29 0.00 0.00 0.00 0.00 61.98 63.47 3afb s VAL 577 Cb 0.00 -4.19 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 3afb s VAL 577 CO 0.00 0.31 1.45 0.00 0.00 0.00 0.00 175.10 176.87 3afb s ARG 578 N 0.19 4.21 -0.40 2.72 1.70 -1.26 -4.39 118.95 121.71 3afb s ARG 578 Ca 0.42 2.43 0.03 0.00 -0.47 0.00 0.00 55.73 58.14 3afb s ARG 578 Cb -0.21 -3.04 0.12 0.00 -0.57 0.00 0.00 34.95 31.25 3afb s ARG 578 CO 0.25 -0.45 0.16 0.08 -1.08 0.00 0.00 175.30 174.26 3afb s VAL 579 N -0.64 1.90 -0.05 4.99 1.01 -1.26 -4.67 120.40 121.67 3afb s VAL 579 Ca 0.55 -2.47 0.13 0.00 0.00 0.00 0.00 61.98 60.20 3afb s VAL 579 Cb -0.44 -2.37 -0.10 0.00 0.00 0.00 0.00 36.38 33.48 3afb s VAL 579 CO 0.53 -0.73 1.16 0.44 0.00 0.00 0.00 175.10 176.50 3afb h ASP 580 N 7.22 0.00 -3.39 3.32 3.32 -1.57 -3.47 116.42 121.85 3afb h ASP 580 Ca -0.06 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 3afb h ASP 580 Cb 0.96 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.26 3afb h ASP 580 CO 0.55 0.72 -0.27 -0.60 -1.72 0.00 0.00 179.24 177.92 3afb s ARG 581 N -2.83 0.43 -0.20 3.56 3.52 -1.09 -4.60 118.95 117.74 3afb s ARG 581 Ca 0.01 0.75 0.01 0.00 -0.13 0.00 0.00 55.73 56.36 3afb s ARG 581 Cb 0.09 0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.55 3afb s ARG 581 CO 0.79 -0.13 -0.16 0.08 -0.81 0.00 0.00 175.30 175.06 3afb s VAL 582 N 1.11 2.25 -0.59 7.11 1.01 0.94 -0.96 120.40 131.27 3afb s VAL 582 Ca -0.07 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.96 3afb s VAL 582 Cb -0.07 -2.02 0.17 0.00 0.00 0.00 0.00 36.38 34.46 3afb s VAL 582 CO -0.10 0.43 0.43 0.21 0.00 0.00 0.00 175.10 176.08 3afb s ASN 583 N 1.28 3.54 0.38 3.32 2.47 0.48 -1.05 114.94 125.37 3afb s ASN 583 Ca 0.03 -3.54 -0.28 0.00 0.42 0.00 0.00 52.86 49.49 3afb s ASN 583 Cb -0.14 -1.18 -0.11 0.00 -1.45 0.00 0.00 41.25 38.37 3afb s ASN 583 CO -0.10 -0.12 1.50 -0.81 -3.72 0.00 0.00 177.10 173.85 3afb n PRO 584 N 2.32 2.70 -2.76 0.43 -0.04 -1.22 -2.56 135.00 133.87 3afb n PRO 584 Ca 0.23 0.95 -0.42 0.00 -0.04 0.00 0.00 63.50 64.22 3afb n PRO 584 Cb 0.40 -2.69 -0.04 0.00 -0.04 0.00 0.00 33.50 31.13 3afb n PRO 584 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3afb s MET 585 N -2.12 3.18 -1.29 0.54 -1.94 0.24 -1.80 119.30 116.10 3afb s MET 585 Ca 0.53 -0.55 -0.11 0.00 -1.71 0.00 0.00 55.69 53.85 3afb s MET 585 Cb -0.47 -4.18 0.15 0.00 2.01 0.00 0.00 34.83 32.34 3afb s MET 585 CO 0.64 -1.85 1.84 0.25 -0.01 0.00 0.00 175.02 175.88 3afb n THR 586 N 6.11 4.22 -3.45 2.05 -2.24 -0.16 -3.36 114.28 117.46 3afb n THR 586 Ca -0.01 -4.29 -0.13 0.00 -2.27 0.00 0.00 64.05 57.35 3afb n THR 586 Cb 0.47 -2.40 -0.03 0.00 -2.10 0.00 0.00 70.33 66.27 3afb n THR 586 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3afb s MET 587 N 1.02 1.20 -1.22 -0.78 0.23 -1.26 -4.30 119.30 114.18 3afb s MET 587 Ca 0.41 -0.28 -0.01 0.00 -1.03 0.00 0.00 55.69 54.79 3afb s MET 587 Cb 0.08 0.55 0.00 0.00 -1.53 0.00 0.00 34.83 33.93 3afb s MET 587 CO -0.00 -0.49 0.97 -0.25 -2.03 0.00 0.00 175.02 173.22 3afb n ASP 588 N -0.05 -2.20 0.18 -1.18 8.00 -1.26 -4.80 116.55 115.23 3afb n ASP 588 Ca -0.17 -0.64 0.07 0.00 0.71 0.00 0.00 54.79 54.76 3afb n ASP 588 Cb 0.63 -4.98 0.13 0.00 -0.02 0.00 0.00 41.12 36.88 3afb n ASP 588 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3afb h TYR 589 N -1.94 0.00 0.00 1.24 0.99 -1.88 -3.48 116.97 111.89 3afb h TYR 589 Ca -0.59 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.14 3afb h TYR 589 Cb 1.34 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.07 3afb h TYR 589 CO 0.45 0.26 0.00 0.66 -0.00 0.00 0.00 178.16 179.53 3afb n TYR 590 N -3.18 0.00 0.73 4.88 4.02 -1.26 -4.45 117.16 117.89 3afb n TYR 590 Ca 0.03 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.03 3afb n TYR 590 Cb 0.62 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 40.06 3afb n TYR 590 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 176.86 173.18 3afb n TRP 591 N 0.00 0.24 -3.73 -0.72 4.27 -1.26 -4.92 117.44 111.32 3afb n TRP 591 Ca 0.00 0.07 -0.14 0.00 -3.89 0.00 0.00 57.50 53.54 3afb n TRP 591 Cb 0.00 -0.41 -0.09 0.00 -1.36 0.00 0.00 31.31 29.46 3afb n TRP 591 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 3afb s THR 592 N -3.12 0.04 0.56 -1.67 -1.32 -1.26 -5.16 115.64 103.72 3afb s THR 592 Ca 0.07 -0.35 -0.17 0.00 -1.21 0.00 0.00 61.69 60.02 3afb s THR 592 Cb 0.15 -0.65 -0.05 0.00 -1.51 0.00 0.00 72.50 70.44 3afb s THR 592 CO 0.75 -0.19 1.07 -2.16 -2.21 0.00 0.00 174.62 171.88 3afb s PRO 593 N -1.10 3.41 -1.04 7.08 0.04 -1.26 -4.42 135.00 137.71 3afb s PRO 593 Ca -0.11 1.32 -0.23 0.00 0.04 0.00 0.00 61.00 62.02 3afb s PRO 593 Cb -0.04 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.51 3afb s PRO 593 CO 0.04 -0.75 1.48 -1.12 0.04 0.00 0.00 177.00 176.69 3afb s SER 594 N -2.40 6.52 0.28 6.66 0.01 -1.26 -4.75 113.70 118.76 3afb s SER 594 Ca 0.66 -1.53 0.02 0.00 1.31 0.00 0.00 55.95 56.41 3afb s SER 594 Cb -0.18 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 3afb s SER 594 CO 0.31 -1.49 0.09 -0.46 0.41 0.00 0.00 173.24 172.10 3afb n ASN 595 N 8.88 1.29 -0.11 2.44 0.23 -1.26 -2.92 115.26 123.81 3afb n ASN 595 Ca 0.34 -2.44 -0.14 0.00 -0.53 0.00 0.00 54.58 51.82 3afb n ASN 595 Cb 0.51 0.64 -0.03 0.00 -2.08 0.00 0.00 39.78 38.82 3afb n ASN 595 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3afb h ALA 596 N 1.42 0.54 -0.41 -2.53 0.00 -1.92 -2.13 119.26 114.23 3afb h ALA 596 Ca -0.22 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.26 3afb h ALA 596 Cb 0.81 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3afb h ALA 596 CO 0.34 0.67 0.17 1.49 0.00 0.00 0.00 179.25 181.93 3afb h GLU 597 N 0.74 0.34 -0.23 0.00 4.81 -1.95 0.07 114.58 118.36 3afb h GLU 597 Ca 0.05 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 3afb h GLU 597 Cb 1.03 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 3afb h GLU 597 CO 0.10 0.23 -0.45 -0.91 -0.73 0.00 0.00 179.01 177.25 3afb h ASN 598 N 0.35 0.62 -0.94 1.04 2.35 -1.84 -1.43 115.58 115.73 3afb h ASN 598 Ca 0.18 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3afb h ASN 598 Cb 0.13 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.28 3afb h ASN 598 CO -0.16 0.98 0.58 0.00 -1.65 0.00 0.00 177.43 177.18 3afb h ALA 599 N 1.04 1.25 -0.48 -0.83 0.00 -0.79 -0.82 119.26 118.62 3afb h ALA 599 Ca 0.03 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3afb h ALA 599 Cb 0.97 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3afb h ALA 599 CO 0.09 0.65 -0.14 0.82 0.00 0.00 0.00 179.25 180.67 3afb h ILE 600 N 1.29 1.27 -0.51 0.00 2.04 -0.79 -1.03 117.51 119.77 3afb h ILE 600 Ca 0.34 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 3afb h ILE 600 Cb -0.07 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3afb h ILE 600 CO -0.07 0.44 0.23 0.11 0.00 0.00 0.00 178.15 178.87 3afb h LYS 601 N 0.82 0.75 -0.32 2.37 1.57 -0.89 -0.98 116.57 119.90 3afb h LYS 601 Ca 0.12 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3afb h LYS 601 Cb 0.69 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 3afb h LYS 601 CO 0.05 0.64 0.04 0.28 -0.57 0.00 0.00 179.45 179.90 3afb h VAL 602 N 0.69 0.82 -0.58 0.50 2.07 -0.99 -1.10 116.25 117.66 3afb h VAL 602 Ca 0.17 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.70 3afb h VAL 602 Cb 0.15 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3afb h VAL 602 CO -0.02 0.03 0.29 0.00 0.02 0.00 0.00 177.57 177.89 3afb h ALA 603 N 1.25 0.76 -0.63 1.67 0.00 -0.65 0.55 119.26 122.21 3afb h ALA 603 Ca 0.15 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3afb h ALA 603 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3afb h ALA 603 CO -0.22 -0.07 0.19 0.93 0.00 0.00 0.00 179.25 180.08 3afb h GLU 604 N 0.54 0.99 -0.56 0.00 5.08 -0.87 -0.15 114.58 119.60 3afb h GLU 604 Ca 0.27 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3afb h GLU 604 Cb 0.21 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3afb h GLU 604 CO -0.20 0.87 0.04 -0.91 -1.00 0.00 0.00 179.01 177.82 3afb h ASN 605 N 0.91 0.93 -0.68 1.42 2.35 -0.62 -2.56 115.58 117.34 3afb h ASN 605 Ca 0.20 -0.29 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 3afb h ASN 605 Cb 0.31 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3afb h ASN 605 CO -0.00 0.99 0.11 0.58 -1.65 0.00 0.00 177.43 177.45 3afb h VAL 606 N 0.85 1.26 -0.36 2.81 2.07 -0.70 -0.92 116.25 121.27 3afb h VAL 606 Ca 0.16 -1.04 0.08 0.00 0.82 0.00 0.00 66.70 66.72 3afb h VAL 606 Cb 0.48 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 3afb h VAL 606 CO 0.02 0.39 -0.15 0.15 0.02 0.00 0.00 177.57 178.00 3afb h PHE 607 N 1.05 -0.36 -0.69 1.57 3.57 -0.86 0.90 116.94 122.11 3afb h PHE 607 Ca 0.21 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3afb h PHE 607 Cb 0.44 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 3afb h PHE 607 CO 0.03 -0.22 0.40 -0.09 -2.23 0.00 0.00 178.31 176.20 3afb h ARG 608 N -0.08 0.95 -0.52 1.11 2.43 -1.10 -1.02 114.38 116.16 3afb h ARG 608 Ca 0.18 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3afb h ARG 608 Cb 0.35 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3afb h ARG 608 CO -0.41 0.70 0.32 1.96 -1.51 0.00 0.00 179.97 181.02 3afb h GLN 609 N 0.95 0.62 -0.06 0.20 4.20 -0.55 -2.06 115.11 118.40 3afb h GLN 609 Ca 0.25 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.76 3afb h GLN 609 Cb 0.01 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3afb h GLN 609 CO -0.04 0.41 -0.66 -0.07 -0.67 0.00 0.00 178.83 177.80 3afb h LEU 610 N 0.64 0.29 -1.49 1.46 3.38 -0.58 -2.65 115.31 116.37 3afb h LEU 610 Ca 0.20 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3afb h LEU 610 Cb -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3afb h LEU 610 CO -0.08 0.87 0.27 0.11 0.09 0.00 0.00 178.44 179.70 3afb h LYS 611 N 0.18 0.62 -0.67 1.13 1.79 -0.94 0.24 116.57 118.92 3afb h LYS 611 Ca -0.01 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.33 3afb h LYS 611 Cb 1.19 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.68 3afb h LYS 611 CO 0.10 0.44 0.10 1.96 -1.08 0.00 0.00 179.45 180.97 3afb h GLN 612 N 0.63 1.12 -0.07 3.15 1.08 -1.03 -2.04 115.11 117.94 3afb h GLN 612 Ca 0.17 -0.30 -0.18 0.00 -1.45 0.00 0.00 58.65 56.88 3afb h GLN 612 Cb -0.02 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 27.30 3afb h GLN 612 CO -0.03 1.02 -0.66 0.82 -0.95 0.00 0.00 178.83 179.04 3afb h ILE 613 N 1.04 1.35 -2.18 2.54 2.04 -1.20 -3.39 117.51 117.72 3afb h ILE 613 Ca 0.20 -1.98 -0.59 0.00 1.00 0.00 0.00 64.86 63.49 3afb h ILE 613 Cb 0.45 2.29 -0.42 0.00 -0.74 0.00 0.00 36.82 38.41 3afb h ILE 613 CO 0.01 0.60 -0.66 -1.22 0.00 0.00 0.00 178.15 176.88 3afb n TYR 614 N -4.12 3.28 0.30 1.37 4.02 0.82 -4.92 117.16 117.90 3afb n TYR 614 Ca -0.09 -4.07 0.17 0.00 -0.01 0.00 0.00 57.90 53.90 3afb n TYR 614 Cb 0.69 -0.53 0.80 0.00 -0.02 0.00 0.00 39.34 40.28 3afb n TYR 614 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3afb h PRO 615 N 3.96 0.00 0.00 -0.72 0.13 -1.57 -1.52 132.00 132.28 3afb h PRO 615 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3afb h PRO 615 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3afb h PRO 615 CO 0.79 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.71 3afb n GLU 616 N -2.83 0.23 -2.70 0.86 0.00 -1.26 -4.85 120.64 110.08 3afb n GLU 616 Ca -0.00 0.23 -0.39 0.00 0.00 0.00 0.00 57.16 57.00 3afb n GLU 616 Cb 0.19 -1.78 -0.06 0.00 0.00 0.00 0.00 31.44 29.79 3afb n GLU 616 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3afb s LYS 617 N -3.12 4.65 0.86 3.44 1.02 -0.57 -5.05 119.74 120.97 3afb s LYS 617 Ca 0.10 1.48 -0.11 0.00 0.02 0.00 0.00 55.97 57.45 3afb s LYS 617 Cb 0.12 -3.01 0.11 0.00 -0.52 0.00 0.00 37.83 34.53 3afb s LYS 617 CO 0.56 0.31 1.09 -1.54 -0.92 0.00 0.00 175.35 174.85 3afb s SER 618 N -1.34 3.77 0.26 2.83 1.04 -1.26 -4.83 113.70 114.18 3afb s SER 618 Ca 0.47 1.56 -0.02 0.00 0.48 0.00 0.00 55.95 58.44 3afb s SER 618 Cb -0.24 -2.25 0.48 0.00 0.10 0.00 0.00 66.02 64.12 3afb s SER 618 CO 0.30 -2.46 1.81 0.44 0.98 0.00 0.00 173.24 174.31 3afb h ASP 619 N -1.42 0.74 -0.24 7.02 3.32 -1.99 -1.05 116.42 122.80 3afb h ASP 619 Ca -0.48 0.06 -0.15 0.00 0.02 0.00 0.00 57.03 56.48 3afb h ASP 619 Cb 1.27 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 3afb h ASP 619 CO 0.54 0.39 -0.40 -0.33 -1.72 0.00 0.00 179.24 177.72 3afb h GLU 620 N 0.84 0.79 -0.72 3.56 3.07 -1.96 -1.21 114.58 118.94 3afb h GLU 620 Ca 0.45 -0.41 0.01 0.00 -0.50 0.00 0.00 59.36 58.91 3afb h GLU 620 Cb 0.47 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.36 3afb h GLU 620 CO -0.28 1.04 0.47 0.93 -1.40 0.00 0.00 179.01 179.78 3afb h GLU 621 N 0.64 0.93 -0.24 2.33 5.08 -1.75 -1.15 114.58 120.42 3afb h GLU 621 Ca 0.05 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3afb h GLU 621 Cb 0.96 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3afb h GLU 621 CO 0.09 0.62 -0.02 0.82 -1.00 0.00 0.00 179.01 179.52 3afb h ILE 622 N 0.96 1.27 -0.66 3.13 1.08 -0.95 -2.81 117.51 119.53 3afb h ILE 622 Ca 0.27 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.77 3afb h ILE 622 Cb -0.09 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 3afb h ILE 622 CO -0.07 0.30 0.36 -0.50 -0.69 0.00 0.00 178.15 177.55 3afb h TRP 623 N 0.21 0.89 -0.22 1.37 -0.00 -1.10 -1.62 115.95 115.47 3afb h TRP 623 Ca 0.07 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.94 3afb h TRP 623 Cb 0.45 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 29.31 3afb h TRP 623 CO 0.04 0.62 0.10 -0.22 -0.00 0.00 0.00 178.44 178.99 3afb h LYS 624 N 0.91 0.30 0.00 0.49 1.63 -1.09 -1.54 116.57 117.28 3afb h LYS 624 Ca 0.23 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 3afb h LYS 624 Cb 0.03 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3afb h LYS 624 CO -0.04 0.24 0.00 0.52 -3.45 0.00 0.00 179.45 176.72 3afb h MET 625 N 0.31 0.00 -5.94 1.90 2.86 -1.04 -3.23 114.93 109.79 3afb h MET 625 Ca 0.08 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.13 3afb h MET 625 Cb 0.04 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.64 3afb h MET 625 CO -0.01 0.00 -0.15 0.42 1.06 0.00 0.00 176.91 178.23 3afb s ILE 626 N -3.40 5.04 0.21 -1.22 1.01 -0.63 -0.04 121.20 122.17 3afb s ILE 626 Ca 0.05 0.94 0.08 0.00 0.00 0.00 0.00 60.65 61.72 3afb s ILE 626 Cb 0.08 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 3afb s ILE 626 CO 0.57 0.48 -0.16 -0.83 0.00 0.00 0.00 174.94 175.00 3afb s GLY 627 N -0.44 1.48 -0.03 6.18 0.00 -0.22 -1.50 107.32 112.79 3afb s GLY 627 Ca 0.25 -1.66 0.04 0.00 0.00 0.00 0.00 44.72 43.35 3afb s GLY 627 CO 0.13 -1.75 -0.14 1.08 0.00 0.00 0.00 173.10 172.42 3afb s LEU 628 N -3.23 1.90 -0.37 0.66 1.43 -1.05 -3.37 118.68 114.65 3afb s LEU 628 Ca 0.22 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3afb s LEU 628 Cb -0.02 -0.79 0.11 0.00 0.03 0.00 0.00 46.19 45.53 3afb s LEU 628 CO 0.08 0.13 0.15 -0.89 0.23 0.00 0.00 176.35 176.05 3afb s THR 629 N -0.01 1.32 0.86 5.49 2.01 -0.75 -1.72 115.64 122.84 3afb s THR 629 Ca -0.01 -2.03 -0.12 0.00 0.31 0.00 0.00 61.69 59.84 3afb s THR 629 Cb -0.09 -1.96 0.11 0.00 0.01 0.00 0.00 72.50 70.56 3afb s THR 629 CO 0.01 -0.75 1.16 -2.84 -0.69 0.00 0.00 174.62 171.50 3afb s PRO 630 N 0.98 1.58 -0.25 4.92 0.02 -1.24 -0.99 135.00 140.02 3afb s PRO 630 Ca 0.13 0.20 -0.08 0.00 0.02 0.00 0.00 61.00 61.28 3afb s PRO 630 Cb -0.21 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 3afb s PRO 630 CO -0.12 -1.88 0.09 1.41 -0.33 0.00 0.00 177.00 176.17 3afb s MET 631 N -5.43 3.70 0.41 5.54 1.75 -1.26 -1.35 119.30 122.66 3afb s MET 631 Ca 0.63 -0.45 -0.24 0.00 -1.25 0.00 0.00 55.69 54.37 3afb s MET 631 Cb -0.13 -3.37 -0.08 0.00 2.84 0.00 0.00 34.83 34.09 3afb s MET 631 CO 0.51 -0.17 1.10 0.96 -0.65 0.00 0.00 175.02 176.77 3afb s ILE 632 N 1.60 3.45 0.00 10.11 -4.36 -0.77 -4.46 121.20 126.77 3afb s ILE 632 Ca 0.06 1.14 0.00 0.00 -0.26 0.00 0.00 60.65 61.59 3afb s ILE 632 Cb -0.15 -3.60 0.00 0.00 1.25 0.00 0.00 42.46 39.96 3afb s ILE 632 CO 0.05 0.03 0.00 0.61 0.24 0.00 0.00 174.94 175.87 3afb n GLY 633 N 0.45 2.70 3.73 6.27 0.00 0.00 -4.69 105.19 113.65 3afb n GLY 633 Ca 0.05 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3afb n GLY 633 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3afb s VAL 634 N 0.00 2.90 0.52 1.61 1.01 -0.20 -0.92 120.40 125.32 3afb s VAL 634 Ca 0.00 0.70 0.06 0.00 0.00 0.00 0.00 61.98 62.74 3afb s VAL 634 Cb 0.00 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.98 3afb s VAL 634 CO 0.00 0.08 0.71 0.20 0.00 0.00 0.00 175.10 176.09 3afb s ASN 635 N 0.71 5.31 0.58 3.32 -0.87 0.42 -4.93 114.94 119.47 3afb s ASN 635 Ca 0.63 -0.45 0.34 0.00 -1.57 0.00 0.00 52.86 51.81 3afb s ASN 635 Cb -0.40 -0.39 1.75 0.00 -0.02 0.00 0.00 41.25 42.19 3afb s ASN 635 CO 0.37 -1.10 2.16 0.44 -2.57 0.00 0.00 177.10 176.39 3afb h ASP 636 N 0.29 0.00 -0.50 -1.22 3.32 -1.95 -2.17 116.42 114.19 3afb h ASP 636 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3afb h ASP 636 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3afb h ASP 636 CO 0.45 0.05 0.00 -0.90 -1.72 0.00 0.00 179.24 177.12 3afb n ASP 637 N -3.38 3.11 0.00 6.45 5.68 -1.26 -4.94 116.55 122.21 3afb n ASP 637 Ca -0.02 -2.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 3afb n ASP 637 Cb 0.19 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 3afb n ASP 637 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3afb n LYS 638 N 0.92 0.00 -1.31 0.11 5.02 -0.81 -4.94 118.16 117.14 3afb n LYS 638 Ca 0.18 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.17 3afb n LYS 638 Cb 0.53 -1.66 0.12 0.00 -0.02 0.00 0.00 35.03 34.00 3afb n LYS 638 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3afb s SER 639 N -3.78 3.97 -0.10 4.39 1.04 -1.26 -4.73 113.70 113.22 3afb s SER 639 Ca 0.00 1.51 -0.00 0.00 0.48 0.00 0.00 55.95 57.94 3afb s SER 639 Cb 0.00 -2.21 0.02 0.00 0.10 0.00 0.00 66.02 63.93 3afb s SER 639 CO 0.00 -2.33 -0.07 -0.69 0.98 0.00 0.00 173.24 171.13 3afb s VAL 640 N -2.99 0.92 -0.58 5.02 1.01 -1.26 -0.44 120.40 122.08 3afb s VAL 640 Ca 0.62 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 62.13 3afb s VAL 640 Cb -0.17 -0.94 0.05 0.00 0.00 0.00 0.00 36.38 35.32 3afb s VAL 640 CO 0.56 0.34 0.93 0.12 0.00 0.00 0.00 175.10 177.05 3afb s PHE 641 N 1.57 2.77 0.73 5.22 5.36 -0.10 -4.71 117.98 128.83 3afb s PHE 641 Ca 0.02 -0.21 -0.08 0.00 -0.96 0.00 0.00 56.93 55.70 3afb s PHE 641 Cb -0.13 -4.11 0.07 0.00 -0.34 0.00 0.00 43.02 38.52 3afb s PHE 641 CO -0.06 -1.43 1.05 0.95 -1.46 0.00 0.00 175.22 174.28 3afb s THR 642 N 3.92 2.21 0.37 0.12 -4.23 -1.26 -0.82 115.64 115.95 3afb s THR 642 Ca 0.27 -0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.61 3afb s THR 642 Cb -0.14 -2.99 0.21 0.00 1.34 0.00 0.00 72.50 70.91 3afb s THR 642 CO 0.16 0.00 1.95 0.25 -0.54 0.00 0.00 174.62 176.44 3afb h LEU 643 N -0.72 0.49 -0.54 4.79 5.85 -1.99 -0.45 115.31 122.74 3afb h LEU 643 Ca -0.44 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 3afb h LEU 643 Cb 1.31 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3afb h LEU 643 CO 0.60 0.47 0.18 -0.08 -0.34 0.00 0.00 178.44 179.27 3afb h GLU 644 N 0.54 0.84 -0.63 1.25 4.81 -1.99 -1.59 114.58 117.81 3afb h GLU 644 Ca 0.13 -0.18 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3afb h GLU 644 Cb 0.16 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 3afb h GLU 644 CO -0.01 0.76 0.36 -0.44 -0.73 0.00 0.00 179.01 178.95 3afb h ASP 645 N 0.75 0.54 -0.42 1.04 3.32 -1.72 -0.61 116.42 119.32 3afb h ASP 645 Ca 0.18 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.30 3afb h ASP 645 Cb 0.27 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 3afb h ASP 645 CO -0.01 0.36 0.16 0.00 -1.72 0.00 0.00 179.24 178.04 3afb h ALA 646 N 1.31 0.51 -0.35 3.45 0.00 -0.75 -0.08 119.26 123.35 3afb h ALA 646 Ca 0.27 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3afb h ALA 646 Cb 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3afb h ALA 646 CO -0.16 -0.22 0.06 0.37 0.00 0.00 0.00 179.25 179.30 3afb h GLN 647 N 0.34 0.58 -0.61 0.00 5.75 -0.91 -0.43 115.11 119.82 3afb h GLN 647 Ca 0.19 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3afb h GLN 647 Cb 0.17 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 3afb h GLN 647 CO -0.19 0.65 0.39 0.37 -2.65 0.00 0.00 178.83 177.40 3afb h GLN 648 N 0.41 0.82 -0.49 1.69 4.15 -0.91 -0.87 115.11 119.92 3afb h GLN 648 Ca 0.11 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.40 3afb h GLN 648 Cb 0.35 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3afb h GLN 648 CO 0.01 0.57 0.07 1.25 -1.93 0.00 0.00 178.83 178.80 3afb h LEU 649 N 0.83 0.78 -0.47 -2.39 5.85 -0.84 -1.55 115.31 117.52 3afb h LEU 649 Ca 0.22 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3afb h LEU 649 Cb -0.05 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3afb h LEU 649 CO -0.04 0.85 0.30 0.58 -0.34 0.00 0.00 178.44 179.78 3afb h VAL 650 N 0.68 1.09 -0.67 1.05 2.07 -0.89 0.71 116.25 120.30 3afb h VAL 650 Ca 0.15 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3afb h VAL 650 Cb 0.40 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3afb h VAL 650 CO 0.01 0.11 0.32 0.44 0.02 0.00 0.00 177.57 178.47 3afb h ASP 651 N 0.60 0.87 -0.42 0.57 3.32 -1.00 -0.39 116.42 119.97 3afb h ASP 651 Ca 0.18 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3afb h ASP 651 Cb -0.04 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3afb h ASP 651 CO -0.06 0.75 0.26 -0.25 -1.72 0.00 0.00 179.24 178.22 3afb h TRP 652 N 0.92 0.55 -0.77 4.55 7.01 -0.98 -1.80 115.95 125.44 3afb h TRP 652 Ca 0.23 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.20 3afb h TRP 652 Cb 0.11 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 26.96 3afb h TRP 652 CO 0.00 0.39 0.38 0.00 -2.79 0.00 0.00 178.44 176.42 3afb h ALA 653 N 1.12 0.99 -0.11 2.65 0.00 -0.48 -0.64 119.26 122.78 3afb h ALA 653 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3afb h ALA 653 Cb -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3afb h ALA 653 CO -0.03 0.54 0.05 0.82 0.00 0.00 0.00 179.25 180.63 3afb h ILE 654 N 1.07 1.14 -0.95 0.00 2.04 -0.98 -1.57 117.51 118.27 3afb h ILE 654 Ca 0.26 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.75 3afb h ILE 654 Cb 0.10 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 3afb h ILE 654 CO -0.04 0.13 0.62 -0.61 0.00 0.00 0.00 178.15 178.25 3afb h GLN 655 N 0.03 1.14 -0.01 2.37 4.15 -0.94 -2.25 115.11 119.61 3afb h GLN 655 Ca 0.04 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3afb h GLN 655 Cb 0.16 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3afb h GLN 655 CO -0.00 0.75 -0.07 0.72 -1.93 0.00 0.00 178.83 178.30 3afb n HIS 656 N -4.45 0.00 -3.91 3.99 8.25 -0.28 -4.95 115.22 113.87 3afb n HIS 656 Ca 0.13 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.32 3afb n HIS 656 Cb 0.12 -0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.20 3afb n HIS 656 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3afb n LYS 657 N -0.16 -4.56 -1.37 -0.41 5.02 -0.61 -4.88 118.16 111.19 3afb n LYS 657 Ca 0.17 0.53 -0.30 0.00 -2.02 0.00 0.00 58.31 56.70 3afb n LYS 657 Cb 0.33 -5.14 0.11 0.00 -0.02 0.00 0.00 35.03 30.31 3afb n LYS 657 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3afb s ILE 658 N -3.55 2.88 0.21 -0.18 -4.36 -1.09 -4.31 121.20 110.79 3afb s ILE 658 Ca 0.35 0.28 -0.04 0.00 -0.26 0.00 0.00 60.65 60.98 3afb s ILE 658 Cb -0.18 -2.89 -0.00 0.00 1.25 0.00 0.00 42.46 40.64 3afb s ILE 658 CO 0.85 -0.37 1.58 1.23 0.24 0.00 0.00 174.94 178.47 3afb h GLY 659 N -1.32 0.74 -3.10 6.27 0.00 -0.72 -3.45 103.07 101.48 3afb h GLY 659 Ca -0.48 -0.71 0.07 0.00 0.00 0.00 0.00 47.33 46.21 3afb h GLY 659 CO 0.57 0.64 0.39 -1.35 0.00 0.00 0.00 176.54 176.79 3afb s SER 660 N -6.83 -0.42 0.11 0.19 1.04 -1.16 -1.94 113.70 104.69 3afb s SER 660 Ca -0.08 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.35 3afb s SER 660 Cb 0.12 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 3afb s SER 660 CO 0.84 -0.79 -0.14 -0.76 0.98 0.00 0.00 173.24 173.37 3afb s LEU 661 N -2.63 2.37 0.31 2.42 1.43 -0.32 -2.54 118.68 119.72 3afb s LEU 661 Ca 0.04 -0.76 -0.05 0.00 -1.03 0.00 0.00 54.13 52.34 3afb s LEU 661 Cb -0.01 -0.53 -0.00 0.00 0.03 0.00 0.00 46.19 45.67 3afb s LEU 661 CO -0.09 -0.13 0.45 0.00 0.23 0.00 0.00 176.35 176.81 3afb s ALA 662 N -1.91 0.57 0.13 4.21 0.00 -0.70 -2.17 121.76 121.89 3afb s ALA 662 Ca 0.06 -1.39 -0.15 0.00 0.00 0.00 0.00 51.96 50.48 3afb s ALA 662 Cb -0.06 1.15 0.03 0.00 0.00 0.00 0.00 23.12 24.24 3afb s ALA 662 CO 0.03 -0.79 0.39 -0.59 0.00 0.00 0.00 175.76 174.79 3afb s PHE 663 N -3.33 -0.16 -0.44 0.00 -0.12 -1.26 -3.68 117.98 108.99 3afb s PHE 663 Ca 0.29 -0.17 -0.14 0.00 -0.05 0.00 0.00 56.93 56.87 3afb s PHE 663 Cb 0.00 0.23 0.06 0.00 -0.63 0.00 0.00 43.02 42.68 3afb s PHE 663 CO 0.17 -0.70 0.33 -0.46 -0.05 0.00 0.00 175.22 174.51 3afb s TRP 664 N -3.81 3.26 0.28 3.49 -0.11 -0.45 -1.62 118.94 119.97 3afb s TRP 664 Ca 0.04 -0.93 -0.15 0.00 1.22 0.00 0.00 56.10 56.27 3afb s TRP 664 Cb 0.02 -2.91 0.01 0.00 -1.50 0.00 0.00 33.47 29.09 3afb s TRP 664 CO -0.11 -0.74 0.60 -1.54 -4.62 0.00 0.00 176.95 170.54 3afb s SER 665 N 2.18 -0.05 0.11 5.86 1.04 -1.26 -1.85 113.70 119.73 3afb s SER 665 Ca 0.04 -0.90 -0.21 0.00 0.48 0.00 0.00 55.95 55.36 3afb s SER 665 Cb -0.22 0.68 -0.10 0.00 0.10 0.00 0.00 66.02 66.48 3afb s SER 665 CO 0.07 -1.30 1.74 0.58 0.98 0.00 0.00 173.24 175.31 3afb h VAL 666 N 2.12 0.97 0.00 5.02 2.07 -0.97 -1.86 116.25 123.60 3afb h VAL 666 Ca -0.25 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3afb h VAL 666 Cb 1.25 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3afb h VAL 666 CO 0.32 0.01 0.00 0.47 0.02 0.00 0.00 177.57 178.40 3afb n ASP 667 N -5.08 0.44 -0.12 0.57 8.00 -1.26 -1.89 116.55 117.21 3afb n ASP 667 Ca -0.05 0.61 0.15 0.00 0.71 0.00 0.00 54.79 56.21 3afb n ASP 667 Cb 0.05 -0.70 0.70 0.00 -0.02 0.00 0.00 41.12 41.15 3afb n ASP 667 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3afb n ARG 668 N -1.99 0.88 -1.51 -1.24 1.74 -0.70 -3.59 116.66 110.24 3afb n ARG 668 Ca 0.03 -0.25 -0.38 0.00 -0.77 0.00 0.00 57.85 56.48 3afb n ARG 668 Cb 0.21 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 3afb n ARG 668 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3afb n ASP 669 N -0.84 8.40 -3.84 0.55 2.03 -0.79 -1.48 116.55 120.58 3afb n ASP 669 Ca 0.18 -2.75 -0.12 0.00 0.52 0.00 0.00 54.79 52.62 3afb n ASP 669 Cb 0.24 -1.49 -0.09 0.00 -0.72 0.00 0.00 41.12 39.06 3afb n ASP 669 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3afb s HIS 670 N 1.04 -0.02 0.65 -0.67 3.76 -1.26 -0.96 115.29 117.84 3afb s HIS 670 Ca 0.65 -0.03 -0.15 0.00 -0.15 0.00 0.00 55.06 55.38 3afb s HIS 670 Cb 0.19 -0.01 -0.00 0.00 1.11 0.00 0.00 32.58 33.87 3afb s HIS 670 CO -0.07 -0.32 1.11 -1.25 -0.85 0.00 0.00 174.74 173.36 3afb s PRO 671 N -1.41 2.84 0.28 8.40 0.04 -1.20 -1.67 135.00 142.28 3afb s PRO 671 Ca -0.14 1.39 -0.16 0.00 0.04 0.00 0.00 61.00 62.13 3afb s PRO 671 Cb -0.07 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.53 3afb s PRO 671 CO 0.02 -1.22 0.59 0.20 0.04 0.00 0.00 177.00 176.64 3afb s GLY 672 N -2.57 0.34 0.21 0.56 0.00 -0.66 -4.72 107.32 100.49 3afb s GLY 672 Ca 0.67 -0.69 -0.31 0.00 0.00 0.00 0.00 44.72 44.38 3afb s GLY 672 CO 0.41 -0.42 1.21 -1.05 0.00 0.00 0.00 173.10 173.25 3afb n PRO 673 N -0.43 1.47 -1.68 2.90 -0.02 -1.26 -3.76 135.00 132.21 3afb n PRO 673 Ca -0.03 0.52 -0.53 0.00 -2.02 0.00 0.00 63.50 61.44 3afb n PRO 673 Cb 0.61 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 3afb n PRO 673 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3afb n THR 674 N 1.38 0.34 -0.98 3.45 -1.04 -1.26 -2.07 114.28 114.09 3afb n THR 674 Ca 0.13 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3afb n THR 674 Cb 0.28 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 3afb n THR 674 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3afb n GLY 675 N 4.00 0.97 3.71 3.41 0.00 -0.54 -5.00 105.19 111.75 3afb n GLY 675 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3afb n GLY 675 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3afb s GLU 676 N -0.02 4.55 -0.22 1.61 2.12 -0.88 -5.00 118.70 120.87 3afb s GLU 676 Ca 0.00 1.43 -0.18 0.00 0.36 0.00 0.00 54.97 56.58 3afb s GLU 676 Cb 0.00 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 3afb s GLU 676 CO 0.00 -0.06 0.51 0.08 -0.54 0.00 0.00 175.26 175.25 3afb s VAL 677 N 1.03 5.10 -0.00 3.70 1.01 -1.26 -3.74 120.40 126.24 3afb s VAL 677 Ca 0.52 0.91 -0.17 0.00 0.00 0.00 0.00 61.98 63.24 3afb s VAL 677 Cb -0.21 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.37 3afb s VAL 677 CO 0.28 0.15 0.37 -0.55 0.00 0.00 0.00 175.10 175.35 3afb s SER 678 N 1.27 -0.25 0.00 3.32 0.15 -1.26 -5.03 113.70 111.90 3afb s SER 678 Ca 0.23 0.11 0.25 0.00 0.70 0.00 0.00 55.95 57.24 3afb s SER 678 Cb -0.15 0.36 1.25 0.00 -1.71 0.00 0.00 66.02 65.77 3afb s SER 678 CO 0.09 -0.52 1.83 -0.81 1.20 0.00 0.00 173.24 175.03 3afb n PRO 679 N 1.02 0.34 0.00 5.44 -0.04 -1.26 -4.05 135.00 136.45 3afb n PRO 679 Ca -0.20 0.05 0.04 0.00 -0.04 0.00 0.00 63.50 63.35 3afb n PRO 679 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 3afb n PRO 679 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3afb n LEU 680 N -1.29 1.15 -3.81 1.53 4.77 -1.26 -3.55 117.00 114.53 3afb n LEU 680 Ca 0.12 -0.80 -0.05 0.00 -0.03 0.00 0.00 56.01 55.25 3afb n LEU 680 Cb 0.20 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3afb n LEU 680 CO 0.19 0.24 0.67 -1.38 -1.33 0.00 0.00 177.39 175.78 3afb s HIS 681 N -1.11 -0.06 -0.31 -1.77 -3.43 -1.24 -4.60 115.29 102.77 3afb s HIS 681 Ca 0.07 -0.34 0.10 0.00 -0.80 0.00 0.00 55.06 54.09 3afb s HIS 681 Cb 0.06 0.69 0.24 0.00 -1.43 0.00 0.00 32.58 32.14 3afb s HIS 681 CO 0.19 -1.02 1.17 2.89 -2.00 0.00 0.00 174.74 175.97 3afb n ARG 682 N -0.52 2.59 -1.66 -0.38 1.85 -0.55 -4.21 116.66 113.78 3afb n ARG 682 Ca -0.05 -2.12 -0.15 0.00 -1.00 0.00 0.00 57.85 54.53 3afb n ARG 682 Cb 0.60 -1.33 -0.05 0.00 -1.05 0.00 0.00 32.46 30.63 3afb n ARG 682 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3afb n GLY 683 N -0.43 1.09 3.52 2.89 0.00 -1.24 -1.03 105.19 109.99 3afb n GLY 683 Ca 0.10 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 3afb n GLY 683 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3afb s THR 684 N -2.61 0.65 -2.34 2.61 -4.23 -1.25 -1.46 115.64 107.00 3afb s THR 684 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 3afb s THR 684 Cb 0.00 -2.36 0.48 0.00 1.34 0.00 0.00 72.50 71.96 3afb s THR 684 CO 0.00 0.00 1.44 -0.46 -0.54 0.00 0.00 174.62 175.06 3afb n ASN 685 N -1.29 3.61 -4.76 3.99 6.94 -1.26 -1.65 115.26 120.83 3afb n ASN 685 Ca -0.06 -2.00 -0.39 0.00 -0.02 0.00 0.00 54.58 52.11 3afb n ASN 685 Cb 0.65 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 3afb n ASN 685 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3afb s ASP 686 N -1.36 6.09 0.93 0.53 1.01 -1.26 -4.86 116.67 117.74 3afb s ASP 686 Ca 0.41 2.60 -0.11 0.00 0.71 0.00 0.00 52.55 56.16 3afb s ASP 686 Cb 0.24 -2.63 0.15 0.00 1.01 0.00 0.00 42.92 41.69 3afb s ASP 686 CO 0.32 -1.00 1.10 -2.16 0.21 0.00 0.00 175.17 173.64 3afb s PRO 687 N -2.46 0.95 0.13 8.23 0.04 -1.26 -3.21 135.00 137.41 3afb s PRO 687 Ca 0.61 1.16 -0.34 0.00 0.04 0.00 0.00 61.00 62.47 3afb s PRO 687 Cb -0.36 -1.75 -0.17 0.00 0.04 0.00 0.00 34.50 32.26 3afb s PRO 687 CO 0.46 -2.55 1.12 -0.25 0.04 0.00 0.00 177.00 175.81 3afb n ASP 688 N -4.14 0.91 -0.18 6.66 8.00 -1.26 -1.81 116.55 124.73 3afb n ASP 688 Ca 0.08 1.14 -0.02 0.00 0.71 0.00 0.00 54.79 56.70 3afb n ASP 688 Cb 0.53 -1.13 -0.01 0.00 -0.02 0.00 0.00 41.12 40.49 3afb n ASP 688 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3afb n TRP 689 N 1.54 0.00 -0.21 1.24 7.02 -0.13 -4.90 117.44 121.99 3afb n TRP 689 Ca 0.17 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.58 3afb n TRP 689 Cb 0.21 -1.34 0.03 0.00 -2.42 0.00 0.00 31.31 27.79 3afb n TRP 689 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3afb h ALA 690 N 0.00 0.77 -0.27 6.99 0.00 -1.60 -1.62 119.26 123.53 3afb h ALA 690 Ca -0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3afb h ALA 690 Cb 0.61 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3afb h ALA 690 CO 0.07 0.26 -0.15 0.74 0.00 0.00 0.00 179.25 180.17 3afb h PHE 691 N 0.82 0.68 -0.63 0.00 -1.00 -1.91 -2.64 116.94 112.26 3afb h PHE 691 Ca 0.21 -0.17 0.13 0.00 2.81 0.00 0.00 57.97 60.95 3afb h PHE 691 Cb 0.00 -0.15 -0.10 0.00 3.61 0.00 0.00 35.95 39.31 3afb h PHE 691 CO -0.02 0.84 0.02 0.77 -1.61 0.00 0.00 178.31 178.31 3afb h SER 692 N 0.32 -0.25 -0.12 2.17 0.02 -1.83 -1.27 113.55 112.59 3afb h SER 692 Ca 0.06 0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 3afb h SER 692 Cb 0.68 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 3afb h SER 692 CO 0.04 -0.11 -0.19 0.45 -1.14 0.00 0.00 176.83 175.89 3afb h HIS 693 N 0.13 0.58 -0.10 3.45 3.86 -1.15 -0.87 115.15 121.04 3afb h HIS 693 Ca 0.33 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 3afb h HIS 693 Cb 0.54 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.86 3afb h HIS 693 CO -0.36 0.68 0.00 0.28 0.86 0.00 0.00 177.93 179.40 3afb h VAL 694 N 0.47 1.24 -0.15 2.45 2.07 -1.06 -3.18 116.25 118.09 3afb h VAL 694 Ca 0.08 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 3afb h VAL 694 Cb 0.60 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3afb h VAL 694 CO 0.04 0.22 -0.12 -0.26 0.02 0.00 0.00 177.57 177.47 3afb h PHE 695 N -0.09 0.25 0.00 1.57 -1.00 -1.02 -2.13 116.94 114.53 3afb h PHE 695 Ca 0.03 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 3afb h PHE 695 Cb 0.34 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 3afb h PHE 695 CO 0.03 0.37 -0.00 0.28 -1.61 0.00 0.00 178.31 177.37 3afb h VAL 696 N 0.23 0.99 -0.31 -0.55 2.07 -1.14 -1.46 116.25 116.08 3afb h VAL 696 Ca 0.05 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.65 3afb h VAL 696 Cb 0.36 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3afb h VAL 696 CO 0.02 0.00 0.23 0.11 0.02 0.00 0.00 177.57 177.95 3afb h LYS 697 N 0.00 0.00 -0.24 1.57 1.57 -1.40 -0.72 116.57 117.35 3afb h LYS 697 Ca -0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3afb h LYS 697 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3afb h LYS 697 CO 0.00 0.00 0.06 0.35 -0.57 0.00 0.00 179.45 179.29 3afb h PHE 698 N 0.00 0.11 -0.28 -1.35 3.57 -1.40 -1.95 116.94 115.63 3afb h PHE 698 Ca 0.15 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.53 3afb h PHE 698 Cb 0.60 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3afb h PHE 698 CO 0.00 0.04 -0.38 0.52 -2.23 0.00 0.00 178.31 176.26 3afb h MET 699 N 0.16 0.65 -0.16 1.11 2.86 -1.29 -3.13 114.93 115.13 3afb h MET 699 Ca 0.11 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.39 3afb h MET 699 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3afb h MET 699 CO -0.13 0.93 -0.06 0.93 1.06 0.00 0.00 176.91 179.63 3afb h GLU 700 N 0.54 0.23 -0.01 1.72 5.08 -1.07 -1.14 114.58 119.93 3afb h GLU 700 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3afb h GLU 700 Cb 0.90 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 3afb h GLU 700 CO 0.08 0.32 0.01 0.00 -1.00 0.00 0.00 179.01 178.41 3afb h ALA 701 N 1.71 1.81 -0.29 3.43 0.00 -1.30 -2.78 119.26 121.84 3afb h ALA 701 Ca 0.05 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3afb h ALA 701 Cb 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 3afb h ALA 701 CO 0.01 -0.01 -0.10 1.19 0.00 0.00 0.00 179.25 180.34 3afb n PHE 702 N -4.25 0.92 0.00 0.00 3.01 -0.46 -4.94 117.46 111.73 3afb n PHE 702 Ca -0.03 -1.47 0.00 0.00 1.01 0.00 0.00 57.45 56.97 3afb n PHE 702 Cb 0.10 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 3afb n PHE 702 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3afb n GLY 703 N -1.06 1.54 3.77 1.37 0.00 -1.05 -4.94 105.19 104.83 3afb n GLY 703 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 3afb n GLY 703 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3afb s TYR 704 N -2.18 3.07 -0.07 1.61 5.04 -1.02 -4.98 117.35 118.81 3afb s TYR 704 Ca 0.00 1.40 -0.06 0.00 -2.44 0.00 0.00 57.07 55.97 3afb s TYR 704 Cb 0.00 -3.67 0.02 0.00 0.35 0.00 0.00 41.96 38.66 3afb s TYR 704 CO 0.00 -1.86 0.18 -0.08 -1.34 0.00 0.00 175.55 172.44 3afb s THR 705 N -1.03 -0.00 0.00 4.34 -1.32 -1.26 -4.39 115.64 111.97 3afb s THR 705 Ca 0.50 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 3afb s THR 705 Cb -0.39 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 3afb s THR 705 CO 0.51 0.01 0.00 0.33 -2.21 0.00 0.00 174.62 173.26