#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4x n PRO 408 N 0.00 0.28 0.00 1.61 -0.02 -1.26 -4.10 135.00 131.51 3a4x n PRO 408 Ca 0.00 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3a4x n PRO 408 Cb 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3a4x n PRO 408 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3a4x n ASN 409 N -2.22 1.36 -3.61 2.55 3.02 -1.26 -5.03 115.26 110.07 3a4x n ASN 409 Ca 0.05 -1.60 -0.14 0.00 -0.03 0.00 0.00 54.58 52.86 3a4x n ASN 409 Cb 0.44 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.55 3a4x n ASN 409 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a4x s ALA 410 N -0.60 -1.21 0.27 5.41 0.00 -1.26 -4.91 121.76 119.46 3a4x s ALA 410 Ca 0.00 0.50 0.09 0.00 0.00 0.00 0.00 51.96 52.55 3a4x s ALA 410 Cb 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 3a4x s ALA 410 CO 0.00 -0.48 0.07 -0.80 0.00 0.00 0.00 175.76 174.54 3a4x s ASN 411 N -1.97 4.84 0.34 0.00 0.01 -1.26 0.13 114.94 117.03 3a4x s ASN 411 Ca -0.05 -0.54 -0.28 0.00 -0.71 0.00 0.00 52.86 51.28 3a4x s ASN 411 Cb -0.01 -1.00 -0.10 0.00 0.41 0.00 0.00 41.25 40.56 3a4x s ASN 411 CO -0.02 -0.03 1.23 -2.16 -1.51 0.00 0.00 177.10 174.61 3a4x s PRO 412 N -3.74 4.33 -0.16 -0.60 0.04 -1.26 -4.73 135.00 128.88 3a4x s PRO 412 Ca 0.32 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 63.31 3a4x s PRO 412 Cb -0.07 -2.99 -0.05 0.00 0.04 0.00 0.00 34.50 31.44 3a4x s PRO 412 CO 0.22 -0.15 0.14 0.42 0.04 0.00 0.00 177.00 177.67 3a4x s ILE 413 N -1.22 5.45 0.71 0.56 1.01 -1.26 -4.85 121.20 121.61 3a4x s ILE 413 Ca 0.50 0.21 -0.16 0.00 0.00 0.00 0.00 60.65 61.20 3a4x s ILE 413 Cb -0.36 -3.44 0.02 0.00 0.01 0.00 0.00 42.46 38.69 3a4x s ILE 413 CO 0.47 0.53 1.18 -2.65 0.00 0.00 0.00 174.94 174.46 3a4x n PRO 414 N 2.77 0.68 -0.34 2.79 -0.02 -1.26 -4.90 135.00 134.72 3a4x n PRO 414 Ca -0.18 0.29 0.05 0.00 -2.02 0.00 0.00 63.50 61.64 3a4x n PRO 414 Cb 0.53 -2.42 0.23 0.00 -0.02 0.00 0.00 33.50 31.82 3a4x n PRO 414 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3a4x h GLU 415 N -0.10 1.02 -4.79 -0.52 4.57 -1.92 -3.33 114.58 109.52 3a4x h GLU 415 Ca -0.49 -0.06 -0.68 0.00 -1.18 0.00 0.00 59.36 56.95 3a4x h GLU 415 Cb 1.33 -0.23 -0.34 0.00 -0.16 0.00 0.00 28.75 29.34 3a4x h GLU 415 CO 0.49 0.68 -0.72 -1.01 -1.18 0.00 0.00 179.01 177.27 3a4x s HIS 416 N -5.95 3.29 0.18 0.92 3.76 -1.26 -4.79 115.29 111.44 3a4x s HIS 416 Ca -0.12 -2.04 0.08 0.00 -0.15 0.00 0.00 55.06 52.83 3a4x s HIS 416 Cb 0.21 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 3a4x s HIS 416 CO 0.81 -0.83 -0.16 -0.59 -0.85 0.00 0.00 174.74 173.11 3a4x s PHE 417 N 1.20 1.73 -0.19 1.40 -0.12 -0.77 -4.63 117.98 116.60 3a4x s PHE 417 Ca -0.05 -0.53 0.01 0.00 -0.05 0.00 0.00 56.93 56.31 3a4x s PHE 417 Cb -0.20 -0.83 0.04 0.00 -0.63 0.00 0.00 43.02 41.39 3a4x s PHE 417 CO -0.02 0.33 -0.13 0.12 -0.05 0.00 0.00 175.22 175.47 3a4x s PHE 418 N -2.51 2.55 -0.48 3.49 5.36 -1.26 -1.45 117.98 123.68 3a4x s PHE 418 Ca 0.18 -1.62 0.04 0.00 -0.96 0.00 0.00 56.93 54.57 3a4x s PHE 418 Cb -0.03 -1.72 0.17 0.00 -0.34 0.00 0.00 43.02 41.10 3a4x s PHE 418 CO 0.06 -0.76 0.39 0.00 -1.46 0.00 0.00 175.22 173.46 3a4x n ALA 419 N 4.66 3.00 -1.35 11.12 0.00 -0.89 -4.50 120.51 132.54 3a4x n ALA 419 Ca -0.16 -3.48 -0.32 0.00 0.00 0.00 0.00 53.44 49.47 3a4x n ALA 419 Cb 0.47 -0.82 0.08 0.00 0.00 0.00 0.00 19.45 19.18 3a4x n ALA 419 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3a4x s PRO 420 N -0.40 2.42 0.22 0.00 0.04 -1.25 -3.37 135.00 132.65 3a4x s PRO 420 Ca 0.31 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 3a4x s PRO 420 Cb 0.03 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 3a4x s PRO 420 CO -0.19 -1.54 1.09 0.71 0.04 0.00 0.00 177.00 177.11 3a4x s TYR 421 N -2.55 3.61 -0.14 0.56 1.51 -0.68 -1.27 117.35 118.39 3a4x s TYR 421 Ca 0.65 1.65 0.02 0.00 -1.01 0.00 0.00 57.07 58.38 3a4x s TYR 421 Cb -0.20 -3.26 0.01 0.00 -0.11 0.00 0.00 41.96 38.40 3a4x s TYR 421 CO 0.48 -0.54 -0.21 0.42 -1.11 0.00 0.00 175.55 174.59 3a4x s ILE 422 N -0.62 2.02 -0.63 2.71 1.01 -0.49 -0.34 121.20 124.87 3a4x s ILE 422 Ca 0.47 -0.95 -0.28 0.00 0.00 0.00 0.00 60.65 59.90 3a4x s ILE 422 Cb -0.30 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.40 3a4x s ILE 422 CO 0.37 0.54 1.31 -0.62 0.00 0.00 0.00 174.94 176.54 3a4x s ASP 423 N 0.92 6.22 0.45 3.58 -1.08 -1.26 -1.01 116.67 124.49 3a4x s ASP 423 Ca -0.05 -0.02 0.31 0.00 -0.52 0.00 0.00 52.55 52.27 3a4x s ASP 423 Cb -0.15 -2.55 1.33 0.00 -1.46 0.00 0.00 42.92 40.08 3a4x s ASP 423 CO -0.04 -1.70 1.91 0.24 0.52 0.00 0.00 175.17 176.10 3a4x h MET 424 N 10.33 0.00 0.00 4.34 2.86 -1.36 -2.98 114.93 128.12 3a4x h MET 424 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3a4x h MET 424 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3a4x h MET 424 CO 1.22 0.00 -0.13 -1.13 1.06 0.00 0.00 176.91 177.92 3a4x n SER 425 N -2.75 0.59 -4.77 1.22 3.41 -1.26 -4.90 113.62 105.16 3a4x n SER 425 Ca 0.01 0.43 -0.40 0.00 -0.26 0.00 0.00 58.87 58.65 3a4x n SER 425 Cb 0.24 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 3a4x n SER 425 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3a4x s LEU 426 N -4.04 4.40 0.46 1.04 1.43 -1.13 -4.92 118.68 115.92 3a4x s LEU 426 Ca 0.11 2.66 0.11 0.00 -1.03 0.00 0.00 54.13 55.98 3a4x s LEU 426 Cb 0.14 -3.69 1.03 0.00 0.03 0.00 0.00 46.19 43.71 3a4x s LEU 426 CO 0.61 -0.55 2.09 -1.28 0.23 0.00 0.00 176.35 177.45 3a4x h SER 427 N 3.30 0.28 0.26 2.29 0.87 -1.93 -2.03 113.55 116.60 3a4x h SER 427 Ca -0.49 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 3a4x h SER 427 Cb 1.23 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3a4x h SER 427 CO 0.65 0.20 0.00 0.55 -0.53 0.00 0.00 176.83 177.70 3a4x n VAL 428 N -4.50 1.09 -1.69 2.23 3.14 -1.26 -4.89 118.33 112.46 3a4x n VAL 428 Ca 0.01 0.52 -0.60 0.00 -2.96 0.00 0.00 64.34 61.31 3a4x n VAL 428 Cb 0.08 -1.48 -0.08 0.00 -1.06 0.00 0.00 33.84 31.30 3a4x n VAL 428 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 3a4x n HIS 429 N -2.11 1.93 -2.88 1.45 -0.00 -0.76 -4.97 115.22 107.87 3a4x n HIS 429 Ca 0.00 0.66 -0.26 0.00 0.46 0.00 0.00 57.72 58.59 3a4x n HIS 429 Cb 0.10 -2.41 0.00 0.00 -0.12 0.00 0.00 29.99 27.56 3a4x n HIS 429 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3a4x s LYS 430 N 3.72 3.40 0.41 1.57 1.02 -1.26 -5.06 119.74 123.54 3a4x s LYS 430 Ca 1.02 -0.07 -0.26 0.00 0.02 0.00 0.00 55.97 56.67 3a4x s LYS 430 Cb -1.17 -2.48 -0.10 0.00 -0.52 0.00 0.00 37.83 33.56 3a4x s LYS 430 CO 0.69 -0.16 1.31 -2.30 -0.92 0.00 0.00 175.35 173.97 3a4x n PRO 431 N -2.13 2.05 -0.35 -1.68 -0.02 -1.26 -4.83 135.00 126.79 3a4x n PRO 431 Ca -0.01 0.73 0.10 0.00 -2.02 0.00 0.00 63.50 62.31 3a4x n PRO 431 Cb 0.56 -2.43 0.29 0.00 -0.02 0.00 0.00 33.50 31.90 3a4x n PRO 431 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3a4x h LEU 432 N 2.24 0.85 -1.49 2.45 3.38 -1.97 -0.59 115.31 120.18 3a4x h LEU 432 Ca -0.48 0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.58 3a4x h LEU 432 Cb 1.29 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3a4x h LEU 432 CO 0.61 0.38 0.37 -0.37 0.09 0.00 0.00 178.44 179.51 3a4x h VAL 433 N 0.87 1.10 -0.24 1.22 -1.51 -1.90 -0.65 116.25 115.14 3a4x h VAL 433 Ca 0.54 -0.23 -0.12 0.00 -1.23 0.00 0.00 66.70 65.65 3a4x h VAL 433 Cb 0.71 0.36 -0.00 0.00 -2.13 0.00 0.00 31.29 30.22 3a4x h VAL 433 CO -0.32 0.12 -0.32 -0.08 -1.23 0.00 0.00 177.57 175.74 3a4x h GLU 434 N 0.68 0.64 -0.89 5.19 4.81 -1.48 -2.42 114.58 121.11 3a4x h GLU 434 Ca 0.21 -0.37 0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3a4x h GLU 434 Cb 0.02 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 3a4x h GLU 434 CO -0.05 0.98 0.58 1.88 -0.73 0.00 0.00 179.01 181.67 3a4x h TYR 435 N 0.35 1.03 -0.39 0.92 0.99 -0.92 -1.60 116.97 117.34 3a4x h TYR 435 Ca 0.03 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.80 3a4x h TYR 435 Cb 0.90 -0.34 -0.03 0.00 1.00 0.00 0.00 36.73 38.27 3a4x h TYR 435 CO 0.08 0.54 0.23 0.00 -0.00 0.00 0.00 178.16 179.01 3a4x h ALA 436 N 1.51 0.49 -0.83 3.88 0.00 -0.88 0.11 119.26 123.55 3a4x h ALA 436 Ca 0.38 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3a4x h ALA 436 Cb 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3a4x h ALA 436 CO -0.14 -0.11 0.44 -0.22 0.00 0.00 0.00 179.25 179.22 3a4x h LYS 437 N 0.46 1.16 0.19 0.00 3.64 -0.93 -0.84 116.57 120.25 3a4x h LYS 437 Ca 0.16 -0.14 -0.27 0.00 -1.27 0.00 0.00 60.65 59.13 3a4x h LYS 437 Cb 0.01 -0.23 0.03 0.00 -0.41 0.00 0.00 32.23 31.64 3a4x h LYS 437 CO -0.07 0.86 -1.15 -0.07 -2.27 0.00 0.00 179.45 176.74 3a4x h LEU 438 N 1.16 0.69 0.00 5.20 3.38 -0.94 -3.35 115.31 121.46 3a4x h LEU 438 Ca 0.29 -0.92 -0.16 0.00 0.09 0.00 0.00 57.88 57.18 3a4x h LEU 438 Cb 0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3a4x h LEU 438 CO -0.04 1.55 -1.01 0.71 0.09 0.00 0.00 178.44 179.74 3a4x h THR 439 N -0.06 0.88 0.00 0.22 1.35 -0.81 -3.47 112.91 111.02 3a4x h THR 439 Ca -0.20 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.28 3a4x h THR 439 Cb 1.90 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 70.67 3a4x h THR 439 CO 0.22 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 3a4x n GLY 440 N 1.33 1.30 3.55 5.82 0.00 -0.32 -4.00 105.19 112.86 3a4x n GLY 440 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3a4x n GLY 440 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3a4x s THR 441 N -2.63 3.72 -0.36 2.61 -1.32 -1.24 -4.85 115.64 111.57 3a4x s THR 441 Ca 0.00 -0.45 0.15 0.00 -1.21 0.00 0.00 61.69 60.18 3a4x s THR 441 Cb 0.00 -2.55 0.75 0.00 -1.51 0.00 0.00 72.50 69.19 3a4x s THR 441 CO 0.00 0.57 1.67 2.29 -2.21 0.00 0.00 174.62 176.94 3a4x n LYS 442 N 2.67 4.39 -5.20 7.08 2.85 -1.26 -4.10 118.16 124.59 3a4x n LYS 442 Ca -0.18 -3.07 -0.31 0.00 -1.05 0.00 0.00 58.31 53.71 3a4x n LYS 442 Cb 0.53 -2.14 -0.17 0.00 -0.65 0.00 0.00 35.03 32.61 3a4x n LYS 442 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3a4x s TYR 443 N -2.64 2.39 0.03 5.58 1.51 -1.26 -1.81 117.35 121.15 3a4x s TYR 443 Ca 0.52 -0.79 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 3a4x s TYR 443 Cb 0.39 -1.58 -0.02 0.00 -0.11 0.00 0.00 41.96 40.64 3a4x s TYR 443 CO 0.16 -0.27 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.21 3a4x s PHE 444 N 0.01 0.47 -0.31 2.71 0.40 -1.13 -3.94 117.98 116.20 3a4x s PHE 444 Ca -0.08 -0.56 -0.13 0.00 -0.60 0.00 0.00 56.93 55.56 3a4x s PHE 444 Cb -0.15 -0.30 -0.03 0.00 0.51 0.00 0.00 43.02 43.05 3a4x s PHE 444 CO 0.05 -0.15 0.25 0.99 0.70 0.00 0.00 175.22 177.06 3a4x s THR 445 N -1.62 5.27 -0.21 0.64 2.01 -0.39 -0.87 115.64 120.46 3a4x s THR 445 Ca -0.11 0.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.71 3a4x s THR 445 Cb -0.09 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 3a4x s THR 445 CO -0.01 0.08 0.62 -0.76 -0.69 0.00 0.00 174.62 173.86 3a4x s LEU 446 N 1.81 4.12 0.03 4.42 1.43 0.73 -1.39 118.68 129.83 3a4x s LEU 446 Ca 0.08 0.79 0.08 0.00 -1.03 0.00 0.00 54.13 54.05 3a4x s LEU 446 Cb -0.17 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.16 3a4x s LEU 446 CO 0.11 -0.29 -0.25 0.00 0.23 0.00 0.00 176.35 176.15 3a4x s ALA 447 N 2.03 2.09 0.03 4.21 0.00 -0.18 -0.88 121.76 129.06 3a4x s ALA 447 Ca 0.28 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 51.11 3a4x s ALA 447 Cb -0.16 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3a4x s ALA 447 CO 0.10 0.50 -0.13 -0.06 0.00 0.00 0.00 175.76 176.17 3a4x s PHE 448 N -0.74 1.12 -0.02 0.00 0.40 -1.26 -0.80 117.98 116.68 3a4x s PHE 448 Ca 0.10 -0.34 -0.27 0.00 -0.60 0.00 0.00 56.93 55.82 3a4x s PHE 448 Cb -0.10 -0.67 -0.03 0.00 0.51 0.00 0.00 43.02 42.73 3a4x s PHE 448 CO 0.01 0.02 0.87 0.42 0.70 0.00 0.00 175.22 177.24 3a4x s ILE 449 N -0.80 4.91 0.32 0.64 -1.09 0.48 -0.71 121.20 124.96 3a4x s ILE 449 Ca 0.01 1.83 0.03 0.00 -2.23 0.00 0.00 60.65 60.28 3a4x s ILE 449 Cb -0.07 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.55 3a4x s ILE 449 CO 0.01 0.21 0.10 -0.76 -1.23 0.00 0.00 174.94 173.27 3a4x s LEU 450 N 0.85 1.90 0.13 2.97 1.43 -0.34 -2.01 118.68 123.61 3a4x s LEU 450 Ca 0.46 -1.48 -0.30 0.00 -1.03 0.00 0.00 54.13 51.78 3a4x s LEU 450 Cb -0.20 -0.11 -0.07 0.00 0.03 0.00 0.00 46.19 45.84 3a4x s LEU 450 CO 0.24 -0.76 1.27 -0.47 0.23 0.00 0.00 176.35 176.86 3a4x s TYR 451 N -3.46 3.35 -0.16 0.29 5.04 -0.32 -1.32 117.35 120.77 3a4x s TYR 451 Ca 0.34 1.22 -0.02 0.00 -2.44 0.00 0.00 57.07 56.17 3a4x s TYR 451 Cb 0.06 -3.53 -0.01 0.00 0.35 0.00 0.00 41.96 38.83 3a4x s TYR 451 CO 0.15 -1.67 -0.09 0.45 -1.34 0.00 0.00 175.55 173.06 3a4x s SER 452 N 0.71 4.23 0.29 4.32 0.15 0.32 -4.58 113.70 119.14 3a4x s SER 452 Ca 0.58 -0.31 0.12 0.00 0.70 0.00 0.00 55.95 57.04 3a4x s SER 452 Cb -0.33 -1.68 0.39 0.00 -1.71 0.00 0.00 66.02 62.69 3a4x s SER 452 CO 0.33 0.11 1.62 0.77 1.20 0.00 0.00 173.24 177.27 3a4x h SER 453 N 7.15 0.00 -0.37 5.45 4.64 -1.86 0.19 113.55 128.75 3a4x h SER 453 Ca -0.32 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 3a4x h SER 453 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3a4x h SER 453 CO 0.59 0.59 0.17 0.58 -0.87 0.00 0.00 176.83 177.88 3a4x h VAL 454 N 0.00 1.17 -0.01 0.95 2.07 -1.95 -3.04 116.25 115.45 3a4x h VAL 454 Ca -0.01 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3a4x h VAL 454 Cb 1.08 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3a4x h VAL 454 CO 0.08 0.19 -0.33 -1.22 0.02 0.00 0.00 177.57 176.30 3a4x n TYR 455 N -4.70 0.00 -4.05 1.57 4.02 -1.21 -4.97 117.16 107.82 3a4x n TYR 455 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.58 3a4x n TYR 455 Cb 0.12 -0.09 -0.03 0.00 -0.02 0.00 0.00 39.34 39.31 3a4x n TYR 455 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3a4x n ASN 456 N -0.50 -0.81 0.00 7.72 5.15 0.61 -4.84 115.26 122.60 3a4x n ASN 456 Ca 0.11 -1.13 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 3a4x n ASN 456 Cb 0.38 -2.48 0.00 0.00 -0.53 0.00 0.00 39.78 37.15 3a4x n ASN 456 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3a4x n GLY 457 N -2.16 -0.98 3.77 8.20 0.00 -0.92 -4.97 105.19 108.14 3a4x n GLY 457 Ca -0.27 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 3a4x n GLY 457 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a4x s PRO 458 N -0.96 4.34 -0.04 1.61 0.04 -1.26 -0.52 135.00 138.21 3a4x s PRO 458 Ca 0.00 2.23 -0.27 0.00 0.04 0.00 0.00 61.00 63.00 3a4x s PRO 458 Cb 0.00 -3.07 0.06 0.00 0.04 0.00 0.00 34.50 31.53 3a4x s PRO 458 CO 0.00 -0.21 0.60 0.00 0.04 0.00 0.00 177.00 177.43 3a4x s ALA 459 N -1.10 -1.56 0.15 8.56 0.00 -0.43 -4.31 121.76 123.07 3a4x s ALA 459 Ca 0.49 1.09 -0.31 0.00 0.00 0.00 0.00 51.96 53.24 3a4x s ALA 459 Cb -0.40 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.67 3a4x s ALA 459 CO 0.53 -0.36 1.40 -1.58 0.00 0.00 0.00 175.76 175.76 3a4x s TRP 460 N -1.28 3.20 -1.32 0.00 0.52 -0.14 -1.20 118.94 118.73 3a4x s TRP 460 Ca -0.11 0.97 0.00 0.00 0.02 0.00 0.00 56.10 56.98 3a4x s TRP 460 Cb -0.01 -3.71 0.00 0.00 -1.15 0.00 0.00 33.47 28.59 3a4x s TRP 460 CO 0.08 -2.46 0.00 0.00 0.02 0.00 0.00 176.95 174.60 3a4x n ALA 461 N 3.52 -0.37 -1.02 0.98 0.00 0.11 -0.99 120.51 122.74 3a4x n ALA 461 Ca 0.10 0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.71 3a4x n ALA 461 Cb 0.42 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 3a4x n ALA 461 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a4x n GLY 462 N -0.42 0.39 0.00 0.00 0.00 -0.93 -4.78 105.19 99.44 3a4x n GLY 462 Ca -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3a4x n GLY 462 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a4x n SER 463 N -0.25 0.00 -4.71 1.61 3.41 -0.55 -4.23 113.62 108.90 3a4x n SER 463 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.19 3a4x n SER 463 Cb 0.19 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 3a4x n SER 463 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3a4x s ILE 464 N -1.00 4.90 0.22 -1.33 1.01 -0.16 -4.87 121.20 119.97 3a4x s ILE 464 Ca 0.00 1.89 -0.31 0.00 0.00 0.00 0.00 60.65 62.22 3a4x s ILE 464 Cb 0.00 -4.24 -0.15 0.00 0.01 0.00 0.00 42.46 38.08 3a4x s ILE 464 CO 0.00 0.20 1.15 -2.65 0.00 0.00 0.00 174.94 173.64 3a4x n PRO 465 N 3.79 1.36 -0.31 2.79 -0.02 -1.26 -0.96 135.00 140.38 3a4x n PRO 465 Ca 0.04 0.48 0.09 0.00 -2.02 0.00 0.00 63.50 62.09 3a4x n PRO 465 Cb 0.51 -1.96 0.25 0.00 -0.02 0.00 0.00 33.50 32.28 3a4x n PRO 465 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3a4x h LEU 466 N 3.08 0.61 0.00 2.45 5.85 -1.94 -1.87 115.31 123.48 3a4x h LEU 466 Ca -0.42 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3a4x h LEU 466 Cb 1.33 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3a4x h LEU 466 CO 0.68 0.24 0.00 -1.84 -0.34 0.00 0.00 178.44 177.18 3a4x n GLU 467 N -4.84 0.99 -0.30 1.25 0.00 -1.26 -4.26 120.64 112.22 3a4x n GLU 467 Ca 0.19 0.00 0.17 0.00 0.00 0.00 0.00 57.16 57.52 3a4x n GLU 467 Cb 0.48 -1.50 0.43 0.00 0.00 0.00 0.00 31.44 30.85 3a4x n GLU 467 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3a4x h LYS 468 N 0.00 0.55 -0.47 3.44 1.63 -1.68 -2.42 116.57 117.61 3a4x h LYS 468 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3a4x h LYS 468 Cb 0.00 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 3a4x h LYS 468 CO 0.00 0.36 0.00 1.19 -3.45 0.00 0.00 179.45 177.55 3a4x n PHE 469 N -4.61 0.91 -0.12 1.91 3.01 -1.26 -4.55 117.46 112.73 3a4x n PHE 469 Ca 0.21 -0.60 -0.08 0.00 1.01 0.00 0.00 57.45 57.99 3a4x n PHE 469 Cb 0.65 -0.14 -0.00 0.00 -0.01 0.00 0.00 39.48 39.99 3a4x n PHE 469 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3a4x h VAL 470 N 2.86 1.10 -0.77 -4.37 2.07 -1.73 -1.70 116.25 113.72 3a4x h VAL 470 Ca 0.00 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3a4x h VAL 470 Cb 1.10 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3a4x h VAL 470 CO 0.11 0.10 0.32 0.44 0.02 0.00 0.00 177.57 178.56 3a4x h ASP 471 N 0.53 1.05 -0.89 0.57 3.32 -1.81 -1.06 116.42 118.13 3a4x h ASP 471 Ca 0.14 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3a4x h ASP 471 Cb -0.06 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.18 3a4x h ASP 471 CO -0.03 0.93 0.50 -0.33 -1.72 0.00 0.00 179.24 178.59 3a4x h GLU 472 N 1.11 1.24 -0.36 3.56 5.08 -1.77 -0.60 114.58 122.84 3a4x h GLU 472 Ca 0.26 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 3a4x h GLU 472 Cb 0.20 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3a4x h GLU 472 CO -0.02 0.90 -0.15 0.28 -1.00 0.00 0.00 179.01 179.02 3a4x h VAL 473 N 1.25 1.28 -0.59 3.13 2.07 -0.93 -0.66 116.25 121.81 3a4x h VAL 473 Ca 0.32 -1.26 0.08 0.00 0.82 0.00 0.00 66.70 66.66 3a4x h VAL 473 Cb 0.01 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3a4x h VAL 473 CO -0.05 0.41 0.24 0.03 0.02 0.00 0.00 177.57 178.22 3a4x h ARG 474 N 0.53 0.43 -0.67 1.57 3.08 -0.88 0.15 114.38 118.59 3a4x h ARG 474 Ca 0.08 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 3a4x h ARG 474 Cb 0.68 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3a4x h ARG 474 CO 0.05 0.28 0.11 0.93 -1.07 0.00 0.00 179.97 180.27 3a4x h GLU 475 N 0.44 1.11 -0.99 0.04 4.39 -0.89 -2.09 114.58 116.60 3a4x h GLU 475 Ca 0.29 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.69 3a4x h GLU 475 Cb 0.31 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 3a4x h GLU 475 CO -0.27 1.02 0.64 1.25 -1.16 0.00 0.00 179.01 180.49 3a4x h LEU 476 N 1.04 1.15 -1.68 1.33 5.85 -0.61 -2.40 115.31 119.99 3a4x h LEU 476 Ca 0.20 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3a4x h LEU 476 Cb 0.44 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3a4x h LEU 476 CO 0.01 0.85 -0.19 0.03 -0.34 0.00 0.00 178.44 178.80 3a4x h ARG 477 N 1.35 0.00 0.00 1.25 3.08 -0.33 -1.17 114.38 118.56 3a4x h ARG 477 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 3a4x h ARG 477 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.92 3a4x h ARG 477 CO -0.08 0.19 0.00 0.93 -1.07 0.00 0.00 179.97 179.94 3a4x h GLU 478 N 0.00 0.00 -0.49 0.04 5.08 -0.87 -0.95 114.58 117.39 3a4x h GLU 478 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a4x h GLU 478 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3a4x h GLU 478 CO 0.02 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.47 3a4x n ILE 479 N -3.04 1.63 -0.55 3.13 -5.35 -0.84 -4.93 119.36 109.41 3a4x n ILE 479 Ca -0.02 -1.27 0.00 0.00 -0.27 0.00 0.00 62.75 61.19 3a4x n ILE 479 Cb 0.13 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 3a4x n ILE 479 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a4x n GLY 480 N 0.66 0.76 3.85 3.28 0.00 -0.36 -5.06 105.19 108.31 3a4x n GLY 480 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3a4x n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a4x s GLY 481 N -1.72 1.59 0.18 -0.02 0.00 -0.50 -4.78 107.32 102.08 3a4x s GLY 481 Ca 0.00 -0.53 -0.21 0.00 0.00 0.00 0.00 44.72 43.98 3a4x s GLY 481 CO 0.00 -0.03 0.59 1.85 0.00 0.00 0.00 173.10 175.51 3a4x s GLU 482 N -5.40 1.37 0.20 2.90 2.56 -0.75 -4.00 118.70 115.57 3a4x s GLU 482 Ca 0.62 -0.66 0.07 0.00 0.00 0.00 0.00 54.97 55.00 3a4x s GLU 482 Cb -0.13 0.57 -0.05 0.00 2.00 0.00 0.00 34.13 36.53 3a4x s GLU 482 CO 0.51 -0.60 -0.12 0.14 -0.56 0.00 0.00 175.26 174.63 3a4x s VAL 483 N -3.81 1.57 -0.08 3.70 -7.23 -1.26 -2.82 120.40 110.47 3a4x s VAL 483 Ca 0.04 -2.16 0.03 0.00 -1.81 0.00 0.00 61.98 58.08 3a4x s VAL 483 Cb -0.02 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 3a4x s VAL 483 CO -0.07 -0.60 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.29 3a4x s ILE 484 N -3.08 2.56 -0.25 -0.62 1.01 -0.05 -4.52 121.20 116.25 3a4x s ILE 484 Ca 0.22 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.89 3a4x s ILE 484 Cb 0.01 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 3a4x s ILE 484 CO 0.06 0.56 0.17 -0.63 0.00 0.00 0.00 174.94 175.10 3a4x s ILE 485 N -0.07 5.35 -0.10 2.92 -1.09 -0.91 -0.19 121.20 127.10 3a4x s ILE 485 Ca -0.04 0.18 -0.05 0.00 -2.23 0.00 0.00 60.65 58.50 3a4x s ILE 485 Cb -0.14 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 3a4x s ILE 485 CO 0.04 0.32 0.11 0.00 -1.23 0.00 0.00 174.94 174.18 3a4x s ALA 486 N 1.26 3.75 0.03 9.38 0.00 -0.06 -0.48 121.76 135.64 3a4x s ALA 486 Ca 0.07 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.39 3a4x s ALA 486 Cb -0.14 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 3a4x s ALA 486 CO 0.06 0.62 -0.11 -0.06 0.00 0.00 0.00 175.76 176.28 3a4x s PHE 487 N -1.02 2.76 0.00 0.00 0.40 0.39 -0.39 117.98 120.13 3a4x s PHE 487 Ca 0.16 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 3a4x s PHE 487 Cb -0.12 -1.54 0.00 0.00 0.51 0.00 0.00 43.02 41.87 3a4x s PHE 487 CO 0.05 0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.71 3a4x n GLY 488 N 1.47 0.95 0.74 4.36 0.00 -0.85 -0.72 105.19 111.14 3a4x n GLY 488 Ca -0.15 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3a4x n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a4x n GLY 489 N 0.00 -1.73 0.26 -0.02 0.00 0.31 -4.66 105.19 99.35 3a4x n GLY 489 Ca 0.00 -1.99 0.16 0.00 0.00 0.00 0.00 46.02 44.19 3a4x n GLY 489 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a4x h ALA 490 N 0.00 1.00 -4.56 4.61 0.00 -1.99 -3.41 119.26 114.92 3a4x h ALA 490 Ca 0.00 -0.02 -0.70 0.00 0.00 0.00 0.00 54.91 54.19 3a4x h ALA 490 Cb 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.49 3a4x h ALA 490 CO 0.00 0.02 -0.88 0.14 0.00 0.00 0.00 179.25 178.53 3a4x s VAL 491 N -3.57 2.13 0.00 0.00 -7.23 -1.26 -5.01 120.40 105.46 3a4x s VAL 491 Ca 0.02 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 3a4x s VAL 491 Cb 0.08 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.28 3a4x s VAL 491 CO 0.58 0.58 0.00 0.61 -0.31 0.00 0.00 175.10 176.56 3a4x n GLY 492 N 2.43 0.73 3.76 2.32 0.00 -1.26 -4.82 105.19 108.35 3a4x n GLY 492 Ca -0.16 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 3a4x n GLY 492 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a4x s PRO 493 N -2.37 4.33 0.40 1.61 0.04 -1.26 -4.98 135.00 132.77 3a4x s PRO 493 Ca 0.00 0.75 -0.24 0.00 0.04 0.00 0.00 61.00 61.55 3a4x s PRO 493 Cb 0.00 -3.35 -0.09 0.00 0.04 0.00 0.00 34.50 31.10 3a4x s PRO 493 CO 0.00 0.35 1.08 0.71 0.04 0.00 0.00 177.00 179.18 3a4x s TYR 494 N -0.12 3.20 0.27 0.56 4.12 -1.26 -1.17 117.35 122.95 3a4x s TYR 494 Ca 0.31 1.62 0.00 0.00 0.02 0.00 0.00 57.07 59.03 3a4x s TYR 494 Cb -0.18 -3.19 0.59 0.00 -1.52 0.00 0.00 41.96 37.65 3a4x s TYR 494 CO 0.17 -0.82 1.74 -0.07 0.02 0.00 0.00 175.55 176.59 3a4x h LEU 495 N 2.48 0.42 -0.85 -1.29 3.38 -1.86 -1.49 115.31 116.10 3a4x h LEU 495 Ca -0.48 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3a4x h LEU 495 Cb 1.22 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3a4x h LEU 495 CO 0.62 0.13 0.00 0.00 0.09 0.00 0.00 178.44 179.28 3a4x h GLN 497 N 0.00 0.36 0.07 0.00 4.20 -1.72 -3.40 115.11 114.61 3a4x h GLN 497 Ca 0.00 -0.61 -0.25 0.00 0.06 0.00 0.00 58.65 57.85 3a4x h GLN 497 Cb 0.48 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3a4x h GLN 497 CO 0.00 1.26 -1.18 0.37 -0.67 0.00 0.00 178.83 178.61 3a4x h GLN 498 N 0.10 0.14 -6.66 1.46 5.75 -0.82 -3.46 115.11 111.62 3a4x h GLN 498 Ca -0.32 -0.24 -0.54 0.00 -0.15 0.00 0.00 58.65 57.39 3a4x h GLN 498 Cb 2.08 0.09 0.07 0.00 1.07 0.00 0.00 27.48 30.79 3a4x h GLN 498 CO 0.17 1.09 0.89 0.00 -2.65 0.00 0.00 178.83 178.34 3a4x n ALA 499 N -2.47 2.31 0.11 3.38 0.00 -0.16 -4.90 120.51 118.78 3a4x n ALA 499 Ca -0.06 0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.75 3a4x n ALA 499 Cb 0.99 -2.45 0.11 0.00 0.00 0.00 0.00 19.45 18.10 3a4x n ALA 499 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3a4x h SER 500 N 5.78 0.11 -5.04 0.00 4.64 -1.91 -3.47 113.55 113.65 3a4x h SER 500 Ca -0.45 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 60.65 3a4x h SER 500 Cb 1.23 -0.03 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 3a4x h SER 500 CO 0.88 0.76 -0.69 0.42 -0.87 0.00 0.00 176.83 177.33 3a4x s THR 501 N -3.51 0.35 0.50 2.95 -4.23 -1.26 -5.04 115.64 105.40 3a4x s THR 501 Ca -0.02 -1.77 0.17 0.00 -1.18 0.00 0.00 61.69 58.89 3a4x s THR 501 Cb 0.12 -1.46 0.25 0.00 1.34 0.00 0.00 72.50 72.75 3a4x s THR 501 CO 0.79 -0.92 2.11 -0.65 -0.54 0.00 0.00 174.62 175.40 3a4x h PRO 502 N 3.23 0.00 -0.57 3.99 0.11 -1.90 -2.12 132.00 134.74 3a4x h PRO 502 Ca -0.34 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 3a4x h PRO 502 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3a4x h PRO 502 CO 0.63 0.06 0.16 0.93 -0.21 0.00 0.00 178.00 179.57 3a4x h GLU 503 N 0.00 0.90 -0.53 1.05 3.07 -1.94 0.22 114.58 117.35 3a4x h GLU 503 Ca -0.00 -0.20 -0.10 0.00 -0.50 0.00 0.00 59.36 58.56 3a4x h GLU 503 Cb 0.11 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 3a4x h GLU 503 CO 0.01 0.82 -0.05 0.37 -1.40 0.00 0.00 179.01 178.76 3a4x h GLN 504 N 0.81 0.97 -0.23 2.33 4.15 -1.90 -1.23 115.11 120.01 3a4x h GLN 504 Ca 0.18 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 59.26 3a4x h GLN 504 Cb 0.31 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3a4x h GLN 504 CO -0.00 1.00 0.13 1.25 -1.93 0.00 0.00 178.83 179.28 3a4x h LEU 505 N 0.83 0.28 -0.75 -2.39 5.85 -1.19 -1.80 115.31 116.15 3a4x h LEU 505 Ca 0.14 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3a4x h LEU 505 Cb 0.60 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3a4x h LEU 505 CO 0.04 0.27 0.42 0.00 -0.34 0.00 0.00 178.44 178.83 3a4x h ALA 506 N 1.02 0.96 -0.60 1.25 0.00 -0.88 -1.36 119.26 119.64 3a4x h ALA 506 Ca 0.08 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3a4x h ALA 506 Cb 0.05 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 3a4x h ALA 506 CO -0.01 0.47 0.25 1.49 0.00 0.00 0.00 179.25 181.44 3a4x h GLU 507 N 1.03 0.44 -0.34 0.00 4.81 -0.96 0.07 114.58 119.63 3a4x h GLU 507 Ca 0.26 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 3a4x h GLU 507 Cb 0.03 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3a4x h GLU 507 CO -0.04 0.29 0.07 -1.49 -0.73 0.00 0.00 179.01 177.11 3a4x h TRP 508 N 0.45 0.58 -0.67 0.92 6.55 -0.76 -0.37 115.95 122.65 3a4x h TRP 508 Ca 0.29 -0.07 -0.01 0.00 0.95 0.00 0.00 58.89 60.05 3a4x h TRP 508 Cb 0.32 -0.16 -0.03 0.00 -0.86 0.00 0.00 29.16 28.43 3a4x h TRP 508 CO -0.15 0.60 0.38 1.88 -1.05 0.00 0.00 178.44 180.10 3a4x h TYR 509 N 0.39 0.90 -0.48 0.49 0.99 -1.00 -2.45 116.97 115.81 3a4x h TYR 509 Ca 0.10 -0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.75 3a4x h TYR 509 Cb 0.32 -0.29 -0.02 0.00 1.00 0.00 0.00 36.73 37.74 3a4x h TYR 509 CO 0.02 0.63 0.02 0.82 -0.00 0.00 0.00 178.16 179.65 3a4x h ILE 510 N 0.91 1.24 -0.81 -2.88 2.04 -0.79 -0.75 117.51 116.47 3a4x h ILE 510 Ca 0.24 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.16 3a4x h ILE 510 Cb 0.02 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 3a4x h ILE 510 CO -0.04 0.34 0.52 0.50 0.00 0.00 0.00 178.15 179.47 3a4x h LYS 511 N 0.74 0.99 -0.07 2.37 3.64 -0.78 0.99 116.57 124.45 3a4x h LYS 511 Ca 0.15 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3a4x h LYS 511 Cb 0.42 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3a4x h LYS 511 CO 0.02 0.65 0.02 0.28 -2.27 0.00 0.00 179.45 178.15 3a4x h VAL 512 N 1.02 1.16 -0.30 2.00 2.07 -0.94 -1.29 116.25 119.96 3a4x h VAL 512 Ca 0.32 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 67.42 3a4x h VAL 512 Cb -0.01 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 3a4x h VAL 512 CO -0.11 0.14 -0.22 0.40 0.02 0.00 0.00 177.57 177.81 3a4x h ILE 513 N -0.07 0.42 -0.17 4.57 2.04 -0.85 -2.48 117.51 120.96 3a4x h ILE 513 Ca 0.02 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.76 3a4x h ILE 513 Cb 0.20 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3a4x h ILE 513 CO -0.00 0.00 -0.41 0.44 0.00 0.00 0.00 178.15 178.18 3a4x h ASP 514 N -0.19 0.41 -0.56 1.72 3.32 -0.70 0.90 116.42 121.33 3a4x h ASP 514 Ca 0.16 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 3a4x h ASP 514 Cb 0.43 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3a4x h ASP 514 CO -0.42 0.78 0.07 0.74 -1.72 0.00 0.00 179.24 178.70 3a4x h THR 515 N 0.33 1.25 -0.03 0.35 2.02 -0.94 -3.17 112.91 112.72 3a4x h THR 515 Ca 0.03 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.20 3a4x h THR 515 Cb 0.86 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3a4x h THR 515 CO 0.07 0.37 -0.02 -1.22 0.37 0.00 0.00 175.52 175.10 3a4x n TYR 516 N -4.22 0.00 -4.06 3.16 4.02 -0.96 -4.96 117.16 110.14 3a4x n TYR 516 Ca 0.04 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.62 3a4x n TYR 516 Cb 0.29 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.59 3a4x n TYR 516 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3a4x n ASN 517 N 1.12 -1.91 -4.77 7.72 3.02 0.17 -4.90 115.26 115.71 3a4x n ASN 517 Ca 0.12 -0.99 -0.37 0.00 -0.03 0.00 0.00 54.58 53.31 3a4x n ASN 517 Cb 0.51 -2.99 -0.01 0.00 -0.61 0.00 0.00 39.78 36.69 3a4x n ASN 517 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a4x s ALA 518 N -3.64 2.98 -0.38 5.41 0.00 -0.39 -4.86 121.76 120.89 3a4x s ALA 518 Ca 0.36 0.97 0.03 0.00 0.00 0.00 0.00 51.96 53.32 3a4x s ALA 518 Cb -0.19 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.55 3a4x s ALA 518 CO 0.90 -0.70 0.60 0.25 0.00 0.00 0.00 175.76 176.81 3a4x n THR 519 N -0.49 0.01 -3.65 0.00 -2.24 -1.26 -4.84 114.28 101.81 3a4x n THR 519 Ca 0.07 -0.51 -0.06 0.00 -2.27 0.00 0.00 64.05 61.29 3a4x n THR 519 Cb 0.48 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.69 3a4x n THR 519 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3a4x s TYR 520 N -0.26 -1.06 0.12 4.78 6.04 -1.26 -1.30 117.35 124.40 3a4x s TYR 520 Ca 0.04 2.01 0.09 0.00 0.04 0.00 0.00 57.07 59.25 3a4x s TYR 520 Cb 0.03 0.60 -0.04 0.00 -1.04 0.00 0.00 41.96 41.51 3a4x s TYR 520 CO 0.04 -0.54 -0.17 -0.51 -1.54 0.00 0.00 175.55 172.82 3a4x s LEU 521 N 2.14 2.73 -0.10 6.97 1.43 -0.20 -2.14 118.68 129.50 3a4x s LEU 521 Ca -0.08 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 3a4x s LEU 521 Cb -0.09 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.58 3a4x s LEU 521 CO -0.18 0.18 -0.13 -0.62 0.23 0.00 0.00 176.35 175.83 3a4x s ASP 522 N -2.15 2.28 -0.46 2.29 2.15 0.36 -0.20 116.67 120.94 3a4x s ASP 522 Ca 0.18 -0.39 -0.09 0.00 0.43 0.00 0.00 52.55 52.68 3a4x s ASP 522 Cb -0.11 -1.00 0.11 0.00 -0.30 0.00 0.00 42.92 41.62 3a4x s ASP 522 CO 0.10 -0.00 0.33 -0.36 -0.17 0.00 0.00 175.17 175.07 3a4x s PHE 523 N 1.04 3.40 -0.96 -5.34 0.40 0.39 -0.46 117.98 116.45 3a4x s PHE 523 Ca -0.06 -1.77 -0.15 0.00 -0.60 0.00 0.00 56.93 54.35 3a4x s PHE 523 Cb -0.15 -3.39 0.19 0.00 0.51 0.00 0.00 43.02 40.19 3a4x s PHE 523 CO -0.02 -0.96 1.04 0.00 0.70 0.00 0.00 175.22 175.98 3a4x s ALA 524 N 1.39 3.94 -0.42 5.36 0.00 0.10 -0.92 121.76 131.21 3a4x s ALA 524 Ca 0.05 -3.23 -0.14 0.00 0.00 0.00 0.00 51.96 48.64 3a4x s ALA 524 Cb -0.26 -3.79 0.04 0.00 0.00 0.00 0.00 23.12 19.11 3a4x s ALA 524 CO 0.00 -2.57 0.31 0.42 0.00 0.00 0.00 175.76 173.92 3a4x s ILE 525 N 0.98 5.13 -0.14 0.00 -1.09 -0.58 -0.53 121.20 124.97 3a4x s ILE 525 Ca 0.29 -0.81 0.10 0.00 -2.23 0.00 0.00 60.65 57.99 3a4x s ILE 525 Cb -0.07 -3.92 -0.16 0.00 -1.58 0.00 0.00 42.46 36.73 3a4x s ILE 525 CO -0.08 -0.38 0.01 1.21 -1.23 0.00 0.00 174.94 174.48 3a4x n GLU 526 N 5.14 1.52 -3.08 2.79 2.13 -1.26 -4.36 120.64 123.51 3a4x n GLU 526 Ca -0.11 0.01 -0.22 0.00 0.66 0.00 0.00 57.16 57.50 3a4x n GLU 526 Cb 0.46 -1.35 0.01 0.00 0.27 0.00 0.00 31.44 30.82 3a4x n GLU 526 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3a4x s ALA 527 N -2.34 3.86 0.23 4.31 0.00 -1.26 -4.97 121.76 121.58 3a4x s ALA 527 Ca -0.10 -1.15 -0.31 0.00 0.00 0.00 0.00 51.96 50.41 3a4x s ALA 527 Cb 0.04 -2.04 -0.10 0.00 0.00 0.00 0.00 23.12 21.02 3a4x s ALA 527 CO 0.53 -0.31 1.51 0.20 0.00 0.00 0.00 175.76 177.70 3a4x s GLY 528 N -4.21 2.01 0.24 0.00 0.00 -1.26 -5.02 107.32 99.09 3a4x s GLY 528 Ca 0.48 1.38 0.01 0.00 0.00 0.00 0.00 44.72 46.59 3a4x s GLY 528 CO 0.36 2.45 0.08 -0.26 0.00 0.00 0.00 173.10 175.73 3a4x s ILE 529 N 0.40 0.58 -0.79 0.90 -4.36 -1.26 -5.04 121.20 111.63 3a4x s ILE 529 Ca 0.64 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.82 3a4x s ILE 529 Cb -0.44 -2.55 0.09 0.00 1.25 0.00 0.00 42.46 40.82 3a4x s ILE 529 CO 0.40 -0.08 1.08 -0.62 0.24 0.00 0.00 174.94 175.96 3a4x s ASP 530 N -3.29 6.36 0.31 4.36 -1.08 -1.26 -4.90 116.67 117.17 3a4x s ASP 530 Ca 0.35 -1.38 0.02 0.00 -0.52 0.00 0.00 52.55 51.02 3a4x s ASP 530 Cb 0.07 -2.43 0.49 0.00 -1.46 0.00 0.00 42.92 39.59 3a4x s ASP 530 CO 0.12 -1.34 1.83 0.00 0.52 0.00 0.00 175.17 176.31 3a4x h ALA 531 N 9.36 1.27 -0.57 3.66 0.00 -1.97 -1.91 119.26 129.10 3a4x h ALA 531 Ca -0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3a4x h ALA 531 Cb 1.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3a4x h ALA 531 CO 1.19 0.49 0.20 0.22 0.00 0.00 0.00 179.25 181.35 3a4x h ASP 532 N 0.62 0.80 -0.31 0.00 1.82 -1.96 0.18 116.42 117.57 3a4x h ASP 532 Ca 0.13 -0.19 -0.02 0.00 -0.39 0.00 0.00 57.03 56.57 3a4x h ASP 532 Cb 0.36 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 3a4x h ASP 532 CO 0.01 0.77 0.13 0.50 -1.61 0.00 0.00 179.24 179.04 3a4x h LYS 533 N 0.78 0.45 -0.54 0.28 3.64 -1.90 -0.84 116.57 118.45 3a4x h LYS 533 Ca 0.19 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3a4x h LYS 533 Cb 0.24 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 3a4x h LYS 533 CO -0.01 0.46 0.29 1.25 -2.27 0.00 0.00 179.45 179.17 3a4x h LEU 534 N 0.35 0.43 -0.57 5.20 5.85 -1.10 -1.41 115.31 124.06 3a4x h LEU 534 Ca 0.10 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3a4x h LEU 534 Cb 0.17 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3a4x h LEU 534 CO -0.01 0.30 0.28 0.00 -0.34 0.00 0.00 178.44 178.67 3a4x h ALA 535 N 1.28 0.73 -0.95 1.25 0.00 -0.65 -0.07 119.26 120.86 3a4x h ALA 535 Ca 0.23 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3a4x h ALA 535 Cb 0.12 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3a4x h ALA 535 CO -0.15 0.29 0.62 -0.44 0.00 0.00 0.00 179.25 179.58 3a4x h ASP 536 N 0.77 1.06 -0.45 0.00 3.32 -0.77 0.40 116.42 120.76 3a4x h ASP 536 Ca 0.20 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 3a4x h ASP 536 Cb 0.11 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3a4x h ASP 536 CO -0.03 0.75 0.09 0.00 -1.72 0.00 0.00 179.24 178.33 3a4x h ALA 537 N 1.36 0.59 0.00 3.45 0.00 -0.74 -3.03 119.26 120.90 3a4x h ALA 537 Ca 0.36 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3a4x h ALA 537 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3a4x h ALA 537 CO -0.09 0.30 -0.44 -0.07 0.00 0.00 0.00 179.25 178.95 3a4x h LEU 538 N 0.60 0.00 -0.91 0.00 3.38 -0.41 -0.96 115.31 117.00 3a4x h LEU 538 Ca 0.14 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3a4x h LEU 538 Cb 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 3a4x h LEU 538 CO 0.01 0.44 0.58 -0.07 0.09 0.00 0.00 178.44 179.49 3a4x h LEU 539 N 0.00 0.94 -0.05 1.67 3.38 -0.84 0.38 115.31 120.79 3a4x h LEU 539 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3a4x h LEU 539 Cb 0.86 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3a4x h LEU 539 CO 0.06 0.62 -0.00 0.40 0.09 0.00 0.00 178.44 179.61 3a4x h ILE 540 N 1.09 1.25 -0.26 1.22 2.04 -1.23 -2.47 117.51 119.15 3a4x h ILE 540 Ca 0.38 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.51 3a4x h ILE 540 Cb 0.10 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 3a4x h ILE 540 CO -0.15 0.21 0.01 0.58 0.00 0.00 0.00 178.15 178.81 3a4x h VAL 541 N -0.20 0.83 0.00 1.67 2.07 -0.88 -0.74 116.25 119.00 3a4x h VAL 541 Ca 0.01 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 3a4x h VAL 541 Cb 0.34 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3a4x h VAL 541 CO 0.00 0.02 -0.33 0.06 0.02 0.00 0.00 177.57 177.34 3a4x h GLN 542 N 0.10 0.00 -0.18 1.57 3.07 -0.98 0.23 115.11 118.92 3a4x h GLN 542 Ca 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.82 3a4x h GLN 542 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.71 3a4x h GLN 542 CO -0.20 0.33 -0.08 -0.09 0.09 0.00 0.00 178.83 178.88 3a4x h ARG 543 N 0.00 0.38 0.02 0.06 2.43 -0.89 -2.93 114.38 113.44 3a4x h ARG 543 Ca -0.00 -0.16 -0.20 0.00 -0.81 0.00 0.00 59.98 58.80 3a4x h ARG 543 Cb 0.67 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 3a4x h ARG 543 CO 0.04 0.67 -0.92 0.93 -1.51 0.00 0.00 179.97 179.19 3a4x h GLU 544 N 0.06 0.11 -2.25 0.20 4.39 -0.87 -3.38 114.58 112.84 3a4x h GLU 544 Ca 0.04 -0.14 -0.58 0.00 0.34 0.00 0.00 59.36 59.02 3a4x h GLU 544 Cb 0.56 0.04 -0.40 0.00 -0.10 0.00 0.00 28.75 28.85 3a4x h GLU 544 CO 0.03 0.95 -0.87 0.54 -1.16 0.00 0.00 179.01 178.50 3a4x n ARG 545 N -3.56 1.28 0.00 2.33 5.12 0.78 -4.99 116.66 117.63 3a4x n ARG 545 Ca -0.03 -3.79 0.08 0.00 -1.93 0.00 0.00 57.85 52.19 3a4x n ARG 545 Cb 0.85 -1.72 0.41 0.00 -1.16 0.00 0.00 32.46 30.83 3a4x n ARG 545 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3a4x n PRO 546 N 1.56 0.15 0.00 5.56 -0.04 -1.11 -2.30 135.00 138.82 3a4x n PRO 546 Ca 0.25 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 64.00 3a4x n PRO 546 Cb 0.46 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.78 3a4x n PRO 546 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3a4x n TRP 547 N -1.37 0.00 -3.31 0.54 2.14 -1.26 -4.91 117.44 109.27 3a4x n TRP 547 Ca 0.07 0.00 -0.39 0.00 2.07 0.00 0.00 57.50 59.25 3a4x n TRP 547 Cb 0.16 -0.05 -0.07 0.00 -0.81 0.00 0.00 31.31 30.55 3a4x n TRP 547 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 3a4x s VAL 548 N -2.25 5.16 0.33 -1.67 1.01 -0.97 -4.85 120.40 117.15 3a4x s VAL 548 Ca 0.29 0.86 -0.13 0.00 0.00 0.00 0.00 61.98 63.00 3a4x s VAL 548 Cb 0.20 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 3a4x s VAL 548 CO 0.43 0.23 0.72 -0.54 0.00 0.00 0.00 175.10 175.94 3a4x s LYS 549 N 1.34 3.93 -0.15 2.72 1.02 -0.42 -4.93 119.74 123.25 3a4x s LYS 549 Ca 0.22 0.58 -0.00 0.00 0.02 0.00 0.00 55.97 56.79 3a4x s LYS 549 Cb -0.15 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3a4x s LYS 549 CO 0.09 0.13 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.45 3a4x s PHE 550 N -2.06 2.80 0.01 3.18 2.99 -1.26 -1.03 117.98 122.61 3a4x s PHE 550 Ca 0.53 -0.92 0.04 0.00 0.00 0.00 0.00 56.93 56.58 3a4x s PHE 550 Cb -0.10 -1.89 -0.03 0.00 0.00 0.00 0.00 43.02 41.00 3a4x s PHE 550 CO 0.21 -0.40 -0.10 0.45 -0.00 0.00 0.00 175.22 175.38 3a4x s SER 551 N 0.71 4.41 -0.16 1.36 0.15 0.72 -1.37 113.70 119.52 3a4x s SER 551 Ca -0.06 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.38 3a4x s SER 551 Cb -0.15 -0.96 0.02 0.00 -1.71 0.00 0.00 66.02 63.22 3a4x s SER 551 CO 0.02 0.28 -0.15 -0.36 1.20 0.00 0.00 173.24 174.23 3a4x s PHE 552 N -0.96 2.36 -0.20 3.44 0.40 0.05 -0.46 117.98 122.62 3a4x s PHE 552 Ca 0.16 -1.38 -0.03 0.00 -0.60 0.00 0.00 56.93 55.08 3a4x s PHE 552 Cb -0.11 -1.69 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 3a4x s PHE 552 CO 0.06 -0.72 -0.07 0.99 0.70 0.00 0.00 175.22 176.18 3a4x s THR 553 N 1.42 3.19 0.01 0.64 2.01 -0.09 -0.41 115.64 122.41 3a4x s THR 553 Ca 0.04 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 3a4x s THR 553 Cb -0.13 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 3a4x s THR 553 CO -0.11 0.46 0.06 -0.76 -0.69 0.00 0.00 174.62 173.57 3a4x s LEU 554 N 1.24 1.89 0.62 4.42 1.43 -1.04 -1.52 118.68 125.72 3a4x s LEU 554 Ca 0.03 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 52.56 3a4x s LEU 554 Cb -0.14 0.41 -0.03 0.00 0.03 0.00 0.00 46.19 46.46 3a4x s LEU 554 CO -0.03 -0.35 1.22 -2.65 0.23 0.00 0.00 176.35 174.77 3a4x n PRO 555 N 1.44 1.14 -3.95 1.29 -0.02 -1.26 -0.06 135.00 133.58 3a4x n PRO 555 Ca -0.23 0.44 -0.10 0.00 -2.02 0.00 0.00 63.50 61.60 3a4x n PRO 555 Cb 0.56 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 3a4x n PRO 555 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3a4x s SER 556 N -1.28 -0.01 -0.22 2.55 1.04 -1.22 -3.61 113.70 110.95 3a4x s SER 556 Ca 0.79 -0.85 -0.19 0.00 0.48 0.00 0.00 55.95 56.18 3a4x s SER 556 Cb -0.40 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.26 3a4x s SER 556 CO 0.43 -0.95 0.58 -0.62 0.98 0.00 0.00 173.24 173.67 3a4x s ASP 557 N -2.97 -0.65 0.13 7.02 -1.08 -0.45 -4.69 116.67 113.98 3a4x s ASP 557 Ca 0.18 1.20 0.17 0.00 -0.52 0.00 0.00 52.55 53.57 3a4x s ASP 557 Cb 0.02 1.18 0.72 0.00 -1.46 0.00 0.00 42.92 43.38 3a4x s ASP 557 CO 0.01 -0.21 1.51 -0.81 0.52 0.00 0.00 175.17 176.20 3a4x n PRO 558 N 3.14 0.08 0.12 4.34 -0.04 -1.26 -0.35 135.00 141.04 3a4x n PRO 558 Ca -0.16 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 3a4x n PRO 558 Cb 0.56 -1.68 0.19 0.00 -0.04 0.00 0.00 33.50 32.53 3a4x n PRO 558 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3a4x h GLY 559 N 1.80 0.00 0.00 0.55 0.00 -1.95 -3.42 103.07 100.06 3a4x h GLY 559 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a4x h GLY 559 CO 0.00 0.00 -0.18 0.29 0.00 0.00 0.00 176.54 176.65 3a4x n ILE 560 N -2.52 0.00 -1.09 2.60 -5.35 -0.62 -5.13 119.36 107.25 3a4x n ILE 560 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 3a4x n ILE 560 Cb 0.48 0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 3a4x n ILE 560 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a4x n GLY 561 N 0.56 0.44 3.76 3.28 0.00 0.53 -4.82 105.19 108.94 3a4x n GLY 561 Ca 0.00 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 3a4x n GLY 561 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a4x s LEU 562 N 0.00 3.75 0.00 0.99 1.43 -1.26 -1.34 118.68 122.25 3a4x s LEU 562 Ca 0.00 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 3a4x s LEU 562 Cb 0.00 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.70 3a4x s LEU 562 CO 0.00 -1.41 0.00 0.00 0.23 0.00 0.00 176.35 175.17 3a4x n ALA 563 N -1.31 0.00 0.27 4.21 0.00 -1.24 -4.65 120.51 117.79 3a4x n ALA 563 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.67 3a4x n ALA 563 Cb 0.49 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.69 3a4x n ALA 563 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3a4x h GLY 564 N 0.00 0.00 1.20 0.00 0.00 -1.97 -0.50 103.07 101.80 3a4x h GLY 564 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3a4x h GLY 564 CO 0.00 0.00 0.33 -1.33 0.00 0.00 0.00 176.54 175.54 3a4x h GLY 565 N 0.10 0.00 1.01 4.60 0.00 -1.89 -1.09 103.07 105.79 3a4x h GLY 565 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3a4x h GLY 565 CO 0.00 0.00 0.56 -1.82 0.00 0.00 0.00 176.54 175.28 3a4x h TYR 566 N 0.00 1.01 0.00 5.60 3.20 -1.35 -0.99 116.97 124.44 3a4x h TYR 566 Ca 0.12 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3a4x h TYR 566 Cb 0.77 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 3a4x h TYR 566 CO 0.00 0.57 -0.15 0.78 -1.64 0.00 0.00 178.16 177.72 3a4x h GLY 567 N 1.03 0.00 0.86 1.82 0.00 -1.38 -0.99 103.07 104.40 3a4x h GLY 567 Ca 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 3a4x h GLY 567 CO -0.11 0.00 0.05 -2.22 0.00 0.00 0.00 176.54 174.26 3a4x h ILE 568 N 0.00 1.19 -0.57 2.60 2.04 -1.28 -0.60 117.51 120.89 3a4x h ILE 568 Ca -0.00 -0.62 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 3a4x h ILE 568 Cb 0.30 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3a4x h ILE 568 CO 0.02 0.19 0.11 0.40 0.00 0.00 0.00 178.15 178.88 3a4x h ILE 569 N 0.12 1.25 -0.69 -0.67 1.08 -1.22 -0.44 117.51 116.94 3a4x h ILE 569 Ca 0.06 -0.94 0.06 0.00 -0.39 0.00 0.00 64.86 63.65 3a4x h ILE 569 Cb 0.25 0.76 -0.06 0.00 -3.07 0.00 0.00 36.82 34.70 3a4x h ILE 569 CO -0.00 0.34 0.39 -0.33 -0.69 0.00 0.00 178.15 177.86 3a4x h GLU 570 N 0.83 0.70 -0.22 2.37 5.08 -1.11 -1.31 114.58 120.93 3a4x h GLU 570 Ca 0.18 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3a4x h GLU 570 Cb 0.38 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3a4x h GLU 570 CO 0.01 0.46 0.07 1.15 -1.00 0.00 0.00 179.01 179.70 3a4x h THR 571 N 0.72 1.19 -0.31 1.13 2.02 -0.68 -1.06 112.91 115.92 3a4x h THR 571 Ca 0.31 -0.60 0.06 0.00 0.77 0.00 0.00 66.41 66.95 3a4x h THR 571 Cb 0.19 1.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 3a4x h THR 571 CO -0.18 0.19 -0.04 0.24 0.37 0.00 0.00 175.52 176.09 3a4x h MET 572 N 0.18 0.04 -0.36 6.66 2.86 -0.74 -1.45 114.93 122.11 3a4x h MET 572 Ca 0.07 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3a4x h MET 572 Cb 0.23 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3a4x h MET 572 CO -0.00 0.02 0.18 0.00 1.06 0.00 0.00 176.91 178.17 3a4x h ALA 573 N 1.29 0.47 -0.72 6.32 0.00 -1.13 0.70 119.26 126.19 3a4x h ALA 573 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3a4x h ALA 573 Cb 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3a4x h ALA 573 CO -0.29 0.02 0.40 -0.22 0.00 0.00 0.00 179.25 179.16 3a4x h LYS 574 N 0.45 1.00 -0.01 0.00 1.63 -0.97 -2.69 116.57 115.98 3a4x h LYS 574 Ca 0.12 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3a4x h LYS 574 Cb 0.11 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 3a4x h LYS 574 CO -0.02 0.73 -0.23 1.63 -3.45 0.00 0.00 179.45 178.11 3a4x n LYS 575 N -4.37 0.92 -1.69 1.90 5.02 -0.57 -4.94 118.16 114.44 3a4x n LYS 575 Ca 0.07 -0.54 0.00 0.00 -2.02 0.00 0.00 58.31 55.82 3a4x n LYS 575 Cb 0.09 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 3a4x n LYS 575 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a4x n GLY 576 N 1.33 0.41 3.73 0.72 0.00 -0.58 -5.03 105.19 105.76 3a4x n GLY 576 Ca 0.13 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 3a4x n GLY 576 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4x s VAL 577 N -2.00 4.71 0.33 1.61 1.01 0.14 -4.99 120.40 121.21 3a4x s VAL 577 Ca 0.00 1.81 -0.29 0.00 0.00 0.00 0.00 61.98 63.50 3a4x s VAL 577 Cb 0.00 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 3a4x s VAL 577 CO 0.00 0.31 1.52 0.00 0.00 0.00 0.00 175.10 176.93 3a4x s ARG 578 N 0.20 4.13 -0.38 2.72 1.70 -1.26 -4.35 118.95 121.71 3a4x s ARG 578 Ca 0.43 2.54 0.02 0.00 -0.47 0.00 0.00 55.73 58.25 3a4x s ARG 578 Cb -0.21 -3.00 0.11 0.00 -0.57 0.00 0.00 34.95 31.28 3a4x s ARG 578 CO 0.25 -0.55 0.14 0.08 -1.08 0.00 0.00 175.30 174.14 3a4x s VAL 579 N -0.62 1.63 0.01 4.99 1.01 -1.26 -4.70 120.40 121.46 3a4x s VAL 579 Ca 0.57 -2.20 0.11 0.00 0.00 0.00 0.00 61.98 60.45 3a4x s VAL 579 Cb -0.46 -2.18 -0.18 0.00 0.00 0.00 0.00 36.38 33.55 3a4x s VAL 579 CO 0.56 -0.72 1.05 0.44 0.00 0.00 0.00 175.10 176.42 3a4x h ASP 580 N 7.41 0.00 -3.51 3.32 3.32 -1.60 -3.47 116.42 121.89 3a4x h ASP 580 Ca -0.07 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 3a4x h ASP 580 Cb 0.98 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.27 3a4x h ASP 580 CO 0.52 0.91 -0.29 -0.60 -1.72 0.00 0.00 179.24 178.05 3a4x s ARG 581 N -2.72 0.41 -0.19 3.56 3.52 -1.06 -4.61 118.95 117.86 3a4x s ARG 581 Ca -0.01 0.67 0.01 0.00 -0.13 0.00 0.00 55.73 56.27 3a4x s ARG 581 Cb 0.09 0.08 0.04 0.00 -1.56 0.00 0.00 34.95 33.59 3a4x s ARG 581 CO 0.81 -0.11 -0.11 0.08 -0.81 0.00 0.00 175.30 175.16 3a4x s VAL 582 N 0.88 1.68 -0.62 7.11 1.01 0.38 -0.77 120.40 130.07 3a4x s VAL 582 Ca -0.05 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 60.99 3a4x s VAL 582 Cb -0.06 -1.72 0.18 0.00 0.00 0.00 0.00 36.38 34.78 3a4x s VAL 582 CO -0.07 0.22 0.48 -3.20 0.00 0.00 0.00 175.10 172.53 3a4x n ASN 583 N 4.68 2.13 -4.78 3.32 5.15 0.45 -0.92 115.26 125.30 3a4x n ASN 583 Ca -0.15 -3.01 -0.41 0.00 -0.60 0.00 0.00 54.58 50.41 3a4x n ASN 583 Cb 0.47 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 3a4x n ASN 583 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3a4x s PRO 584 N -1.19 4.03 -0.53 1.20 0.04 -1.21 -2.48 135.00 134.86 3a4x s PRO 584 Ca 0.29 2.52 -0.22 0.00 0.04 0.00 0.00 61.00 63.63 3a4x s PRO 584 Cb 0.01 -2.90 0.05 0.00 0.04 0.00 0.00 34.50 31.69 3a4x s PRO 584 CO -0.16 -0.58 0.83 -1.64 0.04 0.00 0.00 177.00 175.49 3a4x s MET 585 N -2.16 3.26 -1.25 4.56 -1.94 0.91 -1.78 119.30 120.90 3a4x s MET 585 Ca 0.54 -0.48 -0.11 0.00 -1.71 0.00 0.00 55.69 53.94 3a4x s MET 585 Cb -0.46 -4.07 0.17 0.00 2.01 0.00 0.00 34.83 32.49 3a4x s MET 585 CO 0.61 -1.39 1.71 0.25 -0.01 0.00 0.00 175.02 176.20 3a4x n THR 586 N 5.99 4.35 -3.46 2.05 -2.24 -0.04 -3.40 114.28 117.53 3a4x n THR 586 Ca -0.01 -4.56 -0.13 0.00 -2.27 0.00 0.00 64.05 57.08 3a4x n THR 586 Cb 0.47 -2.39 -0.03 0.00 -2.10 0.00 0.00 70.33 66.28 3a4x n THR 586 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a4x s MET 587 N 0.68 1.21 -1.20 -0.78 0.23 -1.26 -4.31 119.30 113.87 3a4x s MET 587 Ca 0.40 -0.35 -0.01 0.00 -1.03 0.00 0.00 55.69 54.70 3a4x s MET 587 Cb 0.05 0.56 -0.01 0.00 -1.53 0.00 0.00 34.83 33.90 3a4x s MET 587 CO 0.01 -0.50 0.93 -0.25 -2.03 0.00 0.00 175.02 173.18 3a4x n ASP 588 N -0.10 -2.60 0.13 -1.18 8.00 -1.26 -4.80 116.55 114.74 3a4x n ASP 588 Ca -0.17 -0.67 0.07 0.00 0.71 0.00 0.00 54.79 54.72 3a4x n ASP 588 Cb 0.63 -4.93 0.03 0.00 -0.02 0.00 0.00 41.12 36.84 3a4x n ASP 588 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3a4x h TYR 589 N -1.78 0.00 0.00 1.24 0.99 -1.88 -3.48 116.97 112.06 3a4x h TYR 589 Ca -0.60 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.13 3a4x h TYR 589 Cb 1.34 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.07 3a4x h TYR 589 CO 0.42 0.23 0.00 0.66 -0.00 0.00 0.00 178.16 179.48 3a4x n TYR 590 N -2.96 0.00 0.93 4.88 4.02 -1.26 -4.45 117.16 118.31 3a4x n TYR 590 Ca -0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 3a4x n TYR 590 Cb 0.65 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.08 3a4x n TYR 590 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 176.86 173.18 3a4x n TRP 591 N 0.00 0.05 -3.69 -0.72 4.27 -1.26 -4.93 117.44 111.17 3a4x n TRP 591 Ca 0.00 0.02 -0.15 0.00 -3.89 0.00 0.00 57.50 53.48 3a4x n TRP 591 Cb 0.00 -0.22 -0.08 0.00 -1.36 0.00 0.00 31.31 29.65 3a4x n TRP 591 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 3a4x s THR 592 N -3.03 0.04 0.54 -1.67 -1.32 -1.26 -5.16 115.64 103.77 3a4x s THR 592 Ca 0.09 -0.30 -0.18 0.00 -1.21 0.00 0.00 61.69 60.08 3a4x s THR 592 Cb 0.17 -0.73 -0.06 0.00 -1.51 0.00 0.00 72.50 70.37 3a4x s THR 592 CO 0.76 -0.17 1.07 -2.16 -2.21 0.00 0.00 174.62 171.91 3a4x s PRO 593 N -1.18 3.50 -1.10 7.08 0.04 -1.26 -4.36 135.00 137.73 3a4x s PRO 593 Ca -0.12 1.38 -0.21 0.00 0.04 0.00 0.00 61.00 62.09 3a4x s PRO 593 Cb -0.04 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.52 3a4x s PRO 593 CO 0.06 -0.68 1.50 -1.12 0.04 0.00 0.00 177.00 176.80 3a4x s SER 594 N -2.19 6.63 0.32 6.66 0.01 -1.26 -4.73 113.70 119.13 3a4x s SER 594 Ca 0.67 -1.84 0.02 0.00 1.31 0.00 0.00 55.95 56.11 3a4x s SER 594 Cb -0.18 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 3a4x s SER 594 CO 0.27 -1.34 0.07 -0.46 0.41 0.00 0.00 173.24 172.19 3a4x n ASN 595 N 8.41 1.81 -0.15 2.44 0.23 -1.26 -2.96 115.26 123.78 3a4x n ASN 595 Ca 0.37 -2.58 -0.11 0.00 -0.53 0.00 0.00 54.58 51.73 3a4x n ASN 595 Cb 0.49 0.57 -0.01 0.00 -2.08 0.00 0.00 39.78 38.75 3a4x n ASN 595 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a4x h ALA 596 N 1.38 0.62 -0.61 -2.53 0.00 -1.92 -2.10 119.26 114.09 3a4x h ALA 596 Ca -0.26 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.38 3a4x h ALA 596 Cb 0.89 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3a4x h ALA 596 CO 0.41 0.51 0.32 1.49 0.00 0.00 0.00 179.25 181.98 3a4x h GLU 597 N 0.70 0.58 -0.04 0.00 4.81 -1.95 -0.34 114.58 118.34 3a4x h GLU 597 Ca 0.11 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.14 3a4x h GLU 597 Cb 0.64 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3a4x h GLU 597 CO 0.04 0.38 -0.74 -0.91 -0.73 0.00 0.00 179.01 177.06 3a4x h ASN 598 N 0.60 0.28 -0.64 1.04 2.35 -1.84 -1.15 115.58 116.22 3a4x h ASN 598 Ca 0.28 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3a4x h ASN 598 Cb 0.20 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3a4x h ASN 598 CO -0.19 0.92 0.24 0.00 -1.65 0.00 0.00 177.43 176.75 3a4x h ALA 599 N 1.07 1.16 -0.45 -0.83 0.00 -0.90 -1.13 119.26 118.18 3a4x h ALA 599 Ca -0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3a4x h ALA 599 Cb 1.30 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3a4x h ALA 599 CO 0.11 0.59 -0.04 0.82 0.00 0.00 0.00 179.25 180.74 3a4x h ILE 600 N 0.97 1.27 -0.65 0.00 2.04 -0.81 -0.67 117.51 119.66 3a4x h ILE 600 Ca 0.22 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.99 3a4x h ILE 600 Cb 0.23 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3a4x h ILE 600 CO -0.01 0.39 0.40 0.11 0.00 0.00 0.00 178.15 179.03 3a4x h LYS 601 N 0.67 0.77 -0.22 2.37 1.57 -0.96 -0.70 116.57 120.07 3a4x h LYS 601 Ca 0.12 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3a4x h LYS 601 Cb 0.56 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3a4x h LYS 601 CO 0.03 0.51 0.01 0.28 -0.57 0.00 0.00 179.45 179.71 3a4x h VAL 602 N 0.79 0.86 -0.52 0.50 2.07 -1.00 -1.12 116.25 117.84 3a4x h VAL 602 Ca 0.26 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 67.84 3a4x h VAL 602 Cb 0.03 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 3a4x h VAL 602 CO -0.11 0.02 0.13 0.00 0.02 0.00 0.00 177.57 177.62 3a4x h ALA 603 N 1.18 0.60 -0.76 1.67 0.00 -0.55 0.82 119.26 122.22 3a4x h ALA 603 Ca 0.10 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3a4x h ALA 603 Cb 0.12 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3a4x h ALA 603 CO -0.16 -0.28 0.28 0.93 0.00 0.00 0.00 179.25 180.02 3a4x h GLU 604 N 0.27 1.15 -0.41 0.00 5.08 -0.83 0.35 114.58 120.20 3a4x h GLU 604 Ca 0.26 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3a4x h GLU 604 Cb 0.34 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3a4x h GLU 604 CO -0.32 0.95 -0.26 -0.91 -1.00 0.00 0.00 179.01 177.48 3a4x h ASN 605 N 1.11 0.89 -0.26 1.42 2.35 -0.56 -2.30 115.58 118.23 3a4x h ASN 605 Ca 0.25 -0.35 -0.12 0.00 -0.55 0.00 0.00 56.30 55.53 3a4x h ASN 605 Cb 0.25 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3a4x h ASN 605 CO -0.02 1.10 -0.27 0.58 -1.65 0.00 0.00 177.43 177.18 3a4x h VAL 606 N 0.74 1.28 -0.27 2.81 2.07 -0.58 -0.93 116.25 121.36 3a4x h VAL 606 Ca 0.09 -1.39 0.06 0.00 0.82 0.00 0.00 66.70 66.27 3a4x h VAL 606 Cb 0.81 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 3a4x h VAL 606 CO 0.07 0.46 -0.09 0.15 0.02 0.00 0.00 177.57 178.18 3a4x h PHE 607 N 0.64 -0.19 -0.47 1.57 3.57 -0.80 0.17 116.94 121.42 3a4x h PHE 607 Ca 0.08 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3a4x h PHE 607 Cb 0.78 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 3a4x h PHE 607 CO 0.04 -0.14 0.31 -0.09 -2.23 0.00 0.00 178.31 176.20 3a4x h ARG 608 N -0.03 0.61 -0.83 1.11 9.65 -1.18 0.18 114.38 123.88 3a4x h ARG 608 Ca 0.14 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.01 3a4x h ARG 608 Cb 0.23 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.63 3a4x h ARG 608 CO -0.30 0.40 0.53 1.96 2.80 0.00 0.00 179.97 185.37 3a4x h GLN 609 N 0.63 1.00 -0.07 0.20 4.20 -0.56 -0.99 115.11 119.52 3a4x h GLN 609 Ca 0.18 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.61 3a4x h GLN 609 Cb -0.06 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.50 3a4x h GLN 609 CO -0.05 0.66 -0.83 -0.07 -0.67 0.00 0.00 178.83 177.87 3a4x h LEU 610 N 1.03 0.66 -1.70 1.46 3.38 -0.40 -2.79 115.31 116.95 3a4x h LEU 610 Ca 0.34 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3a4x h LEU 610 Cb 0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3a4x h LEU 610 CO -0.12 1.24 0.22 0.11 0.09 0.00 0.00 178.44 179.99 3a4x h LYS 611 N 0.34 0.40 -0.02 1.13 1.79 -0.68 0.12 116.57 119.65 3a4x h LYS 611 Ca -0.06 -0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.25 3a4x h LYS 611 Cb 1.44 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.99 3a4x h LYS 611 CO 0.15 0.26 -0.63 0.37 -1.08 0.00 0.00 179.45 178.53 3a4x h GLN 612 N 0.41 0.08 0.05 3.15 5.75 -1.01 -2.10 115.11 121.43 3a4x h GLN 612 Ca 0.13 -0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.41 3a4x h GLN 612 Cb 0.02 0.01 0.02 0.00 1.07 0.00 0.00 27.48 28.60 3a4x h GLN 612 CO -0.03 0.68 -0.66 0.82 -2.65 0.00 0.00 178.83 176.99 3a4x h ILE 613 N 0.06 1.47 -2.25 2.39 2.04 -1.18 -3.41 117.51 116.62 3a4x h ILE 613 Ca -0.01 -2.24 -0.60 0.00 1.00 0.00 0.00 64.86 63.01 3a4x h ILE 613 Cb 1.12 2.83 -0.42 0.00 -0.74 0.00 0.00 36.82 39.61 3a4x h ILE 613 CO 0.09 0.64 -0.63 -1.22 0.00 0.00 0.00 178.15 177.03 3a4x n TYR 614 N -4.20 3.27 0.30 1.37 4.02 0.38 -4.93 117.16 117.37 3a4x n TYR 614 Ca -0.12 -4.12 0.18 0.00 -0.01 0.00 0.00 57.90 53.84 3a4x n TYR 614 Cb 0.72 -0.54 0.81 0.00 -0.02 0.00 0.00 39.34 40.31 3a4x n TYR 614 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3a4x h PRO 615 N 4.26 0.00 0.00 -0.72 0.13 -1.63 -2.32 132.00 131.73 3a4x h PRO 615 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3a4x h PRO 615 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3a4x h PRO 615 CO 0.80 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.62 3a4x h GLU 616 N 0.00 0.00 -6.81 0.86 9.09 -1.92 -3.45 114.58 112.35 3a4x h GLU 616 Ca 0.00 0.00 -0.50 0.00 0.05 0.00 0.00 59.36 58.91 3a4x h GLU 616 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 3a4x h GLU 616 CO 0.00 0.00 0.43 0.15 0.05 0.00 0.00 179.01 179.64 3a4x s LYS 617 N -3.34 4.65 0.91 1.06 1.02 -0.87 -5.04 119.74 118.13 3a4x s LYS 617 Ca 0.05 1.66 -0.11 0.00 0.02 0.00 0.00 55.97 57.59 3a4x s LYS 617 Cb 0.07 -3.13 0.14 0.00 -0.52 0.00 0.00 37.83 34.39 3a4x s LYS 617 CO 0.61 0.27 1.09 -1.54 -0.92 0.00 0.00 175.35 174.86 3a4x s SER 618 N -1.07 3.29 0.24 2.83 1.04 -1.26 -4.81 113.70 113.95 3a4x s SER 618 Ca 0.45 1.59 -0.05 0.00 0.48 0.00 0.00 55.95 58.42 3a4x s SER 618 Cb -0.29 -2.26 0.38 0.00 0.10 0.00 0.00 66.02 63.96 3a4x s SER 618 CO 0.36 -2.77 1.78 0.44 0.98 0.00 0.00 173.24 174.03 3a4x h ASP 619 N -1.64 0.49 -0.65 7.02 3.32 -1.98 -1.18 116.42 121.80 3a4x h ASP 619 Ca -0.49 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 3a4x h ASP 619 Cb 1.28 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 3a4x h ASP 619 CO 0.53 0.27 0.23 -0.33 -1.72 0.00 0.00 179.24 178.21 3a4x h GLU 620 N 0.63 1.00 -0.68 3.56 3.07 -1.95 -0.31 114.58 119.89 3a4x h GLU 620 Ca 0.38 -0.20 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 3a4x h GLU 620 Cb 0.43 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 3a4x h GLU 620 CO -0.29 0.86 0.13 0.93 -1.40 0.00 0.00 179.01 179.24 3a4x h GLU 621 N 0.93 1.12 -0.04 2.33 5.08 -1.77 -0.92 114.58 121.31 3a4x h GLU 621 Ca 0.21 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3a4x h GLU 621 Cb 0.26 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3a4x h GLU 621 CO -0.01 1.01 0.01 0.82 -1.00 0.00 0.00 179.01 179.84 3a4x h ILE 622 N 1.05 1.18 -0.89 3.13 1.08 -0.91 -2.33 117.51 119.82 3a4x h ILE 622 Ca 0.21 -0.55 0.05 0.00 -0.39 0.00 0.00 64.86 64.19 3a4x h ILE 622 Cb 0.42 1.48 -0.06 0.00 -3.07 0.00 0.00 36.82 35.60 3a4x h ILE 622 CO 0.01 0.15 0.58 -0.50 -0.69 0.00 0.00 178.15 177.70 3a4x h TRP 623 N -0.15 1.04 -0.20 1.37 -0.00 -0.94 -1.02 115.95 116.05 3a4x h TRP 623 Ca 0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.92 3a4x h TRP 623 Cb 0.23 -0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 29.03 3a4x h TRP 623 CO 0.00 0.57 0.08 -0.22 -0.00 0.00 0.00 178.44 178.87 3a4x h LYS 624 N 1.05 0.28 0.00 0.49 1.63 -0.99 -0.93 116.57 118.10 3a4x h LYS 624 Ca 0.37 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.13 3a4x h LYS 624 Cb 0.14 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3a4x h LYS 624 CO -0.13 0.24 -0.08 0.52 -3.45 0.00 0.00 179.45 176.55 3a4x h MET 625 N 0.28 0.00 -6.17 1.90 2.86 -0.63 -3.11 114.93 110.06 3a4x h MET 625 Ca 0.07 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.14 3a4x h MET 625 Cb 0.07 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 3a4x h MET 625 CO -0.01 0.08 -0.03 0.42 1.06 0.00 0.00 176.91 178.43 3a4x s ILE 626 N -3.54 4.80 0.22 -1.22 1.01 -0.38 -0.47 121.20 121.63 3a4x s ILE 626 Ca 0.02 1.21 0.09 0.00 0.00 0.00 0.00 60.65 61.97 3a4x s ILE 626 Cb 0.08 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 3a4x s ILE 626 CO 0.60 0.51 -0.15 -0.83 0.00 0.00 0.00 174.94 175.07 3a4x s GLY 627 N -0.80 1.53 -0.03 6.18 0.00 -0.10 -1.48 107.32 112.63 3a4x s GLY 627 Ca 0.29 -1.71 0.04 0.00 0.00 0.00 0.00 44.72 43.34 3a4x s GLY 627 CO 0.18 -1.80 -0.15 1.08 0.00 0.00 0.00 173.10 172.41 3a4x s LEU 628 N -3.36 1.92 -0.36 0.66 1.43 -1.03 -3.29 118.68 114.65 3a4x s LEU 628 Ca 0.24 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3a4x s LEU 628 Cb -0.02 -0.81 0.11 0.00 0.03 0.00 0.00 46.19 45.50 3a4x s LEU 628 CO 0.09 0.14 0.13 -0.89 0.23 0.00 0.00 176.35 176.05 3a4x s THR 629 N -0.04 1.29 0.74 5.49 2.01 -0.74 -1.87 115.64 122.53 3a4x s THR 629 Ca -0.01 -1.92 -0.11 0.00 0.31 0.00 0.00 61.69 59.97 3a4x s THR 629 Cb -0.09 -1.95 0.05 0.00 0.01 0.00 0.00 72.50 70.52 3a4x s THR 629 CO 0.01 -0.73 1.11 -2.84 -0.69 0.00 0.00 174.62 171.48 3a4x s PRO 630 N 1.10 2.39 -0.29 4.92 0.02 -1.24 -0.86 135.00 141.04 3a4x s PRO 630 Ca 0.12 0.17 -0.11 0.00 0.02 0.00 0.00 61.00 61.21 3a4x s PRO 630 Cb -0.20 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 3a4x s PRO 630 CO -0.15 -1.28 0.18 1.41 -0.33 0.00 0.00 177.00 176.84 3a4x s MET 631 N -5.41 3.76 0.42 5.54 1.75 -1.26 -1.06 119.30 123.04 3a4x s MET 631 Ca 0.60 -0.44 -0.25 0.00 -1.25 0.00 0.00 55.69 54.35 3a4x s MET 631 Cb -0.11 -3.64 -0.08 0.00 2.84 0.00 0.00 34.83 33.84 3a4x s MET 631 CO 0.49 -0.26 1.16 0.96 -0.65 0.00 0.00 175.02 176.73 3a4x s ILE 632 N 1.72 3.16 0.00 10.11 -4.36 -0.78 -4.45 121.20 126.60 3a4x s ILE 632 Ca 0.07 0.94 0.00 0.00 -0.26 0.00 0.00 60.65 61.40 3a4x s ILE 632 Cb -0.16 -3.51 0.00 0.00 1.25 0.00 0.00 42.46 40.03 3a4x s ILE 632 CO 0.10 0.06 0.00 0.61 0.24 0.00 0.00 174.94 175.94 3a4x n GLY 633 N 0.57 2.60 3.71 6.27 0.00 -0.04 -4.67 105.19 113.64 3a4x n GLY 633 Ca 0.05 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 3a4x n GLY 633 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a4x s VAL 634 N 0.00 3.17 0.51 1.61 -7.23 0.22 -1.07 120.40 117.62 3a4x s VAL 634 Ca 0.00 0.82 0.00 0.00 -1.81 0.00 0.00 61.98 60.99 3a4x s VAL 634 Cb 0.00 -3.52 0.02 0.00 0.56 0.00 0.00 36.38 33.43 3a4x s VAL 634 CO 0.00 0.05 0.74 0.20 -0.31 0.00 0.00 175.10 175.79 3a4x s ASN 635 N 1.26 5.51 0.54 4.85 -0.87 0.55 -4.91 114.94 121.86 3a4x s ASN 635 Ca 0.66 0.15 0.20 0.00 -1.57 0.00 0.00 52.86 52.30 3a4x s ASN 635 Cb -0.38 -1.19 1.39 0.00 -0.02 0.00 0.00 41.25 41.06 3a4x s ASN 635 CO 0.30 -0.97 2.15 0.44 -2.57 0.00 0.00 177.10 176.46 3a4x h ASP 636 N 0.18 0.00 -0.12 -1.22 3.32 -1.95 0.90 116.42 117.53 3a4x h ASP 636 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3a4x h ASP 636 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3a4x h ASP 636 CO 0.55 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.17 3a4x n ASP 637 N -4.38 0.93 0.00 6.45 5.75 -1.26 -4.91 116.55 119.13 3a4x n ASP 637 Ca -0.02 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 3a4x n ASP 637 Cb 0.14 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3a4x n ASP 637 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3a4x n LYS 638 N -0.11 0.00 -1.22 0.11 4.76 0.31 -4.97 118.16 117.04 3a4x n LYS 638 Ca 0.12 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.27 3a4x n LYS 638 Cb 0.19 -2.63 0.14 0.00 -1.84 0.00 0.00 35.03 30.89 3a4x n LYS 638 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3a4x s SER 639 N -3.03 3.46 -0.10 4.39 1.04 -1.26 -4.72 113.70 113.48 3a4x s SER 639 Ca 0.00 1.46 0.01 0.00 0.48 0.00 0.00 55.95 57.90 3a4x s SER 639 Cb 0.00 -2.14 0.02 0.00 0.10 0.00 0.00 66.02 64.00 3a4x s SER 639 CO 0.00 -2.64 -0.10 -0.69 0.98 0.00 0.00 173.24 170.78 3a4x s VAL 640 N -2.95 1.16 -0.58 5.02 1.01 -1.26 -0.33 120.40 122.47 3a4x s VAL 640 Ca 0.63 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 3a4x s VAL 640 Cb -0.18 -1.11 0.07 0.00 0.00 0.00 0.00 36.38 35.15 3a4x s VAL 640 CO 0.57 0.38 0.83 0.12 0.00 0.00 0.00 175.10 176.99 3a4x s PHE 641 N 1.29 2.85 0.73 5.22 5.36 -0.23 -4.67 117.98 128.53 3a4x s PHE 641 Ca -0.02 -0.50 -0.07 0.00 -0.96 0.00 0.00 56.93 55.37 3a4x s PHE 641 Cb -0.14 -4.00 0.08 0.00 -0.34 0.00 0.00 43.02 38.61 3a4x s PHE 641 CO -0.04 -1.36 1.05 0.95 -1.46 0.00 0.00 175.22 174.35 3a4x s THR 642 N 3.43 2.23 0.36 0.12 -4.23 -1.26 -0.86 115.64 115.42 3a4x s THR 642 Ca 0.20 -0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.50 3a4x s THR 642 Cb -0.18 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 70.90 3a4x s THR 642 CO 0.12 0.00 1.95 0.25 -0.54 0.00 0.00 174.62 176.40 3a4x h LEU 643 N -0.70 0.54 -0.50 4.79 5.85 -1.99 -0.47 115.31 122.84 3a4x h LEU 643 Ca -0.44 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 3a4x h LEU 643 Cb 1.31 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3a4x h LEU 643 CO 0.58 0.50 0.23 -0.08 -0.34 0.00 0.00 178.44 179.33 3a4x h GLU 644 N 0.60 0.72 -0.70 1.25 4.81 -1.99 -0.98 114.58 118.29 3a4x h GLU 644 Ca 0.15 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3a4x h GLU 644 Cb 0.13 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 3a4x h GLU 644 CO -0.01 0.61 0.39 -0.44 -0.73 0.00 0.00 179.01 178.83 3a4x h ASP 645 N 0.66 0.57 -0.25 1.04 3.32 -1.75 -0.34 116.42 119.66 3a4x h ASP 645 Ca 0.17 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.28 3a4x h ASP 645 Cb 0.14 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3a4x h ASP 645 CO -0.02 0.36 0.06 0.00 -1.72 0.00 0.00 179.24 177.92 3a4x h ALA 646 N 1.37 0.27 -0.41 3.45 0.00 -0.73 -0.06 119.26 123.16 3a4x h ALA 646 Ca 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3a4x h ALA 646 Cb 0.22 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3a4x h ALA 646 CO -0.20 -0.35 0.16 0.37 0.00 0.00 0.00 179.25 179.23 3a4x h GLN 647 N 0.17 0.61 -0.77 0.00 5.75 -0.81 -0.58 115.11 119.47 3a4x h GLN 647 Ca 0.12 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3a4x h GLN 647 Cb 0.10 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 3a4x h GLN 647 CO -0.14 0.58 0.49 0.37 -2.65 0.00 0.00 178.83 177.48 3a4x h GLN 648 N 0.51 1.03 -0.39 1.69 4.15 -0.87 -1.02 115.11 120.21 3a4x h GLN 648 Ca 0.13 -0.08 -0.11 0.00 0.77 0.00 0.00 58.65 59.37 3a4x h GLN 648 Cb 0.20 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3a4x h GLN 648 CO -0.01 0.70 -0.17 1.25 -1.93 0.00 0.00 178.83 178.67 3a4x h LEU 649 N 1.05 0.83 -0.44 -2.39 5.85 -0.75 -1.38 115.31 118.07 3a4x h LEU 649 Ca 0.28 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3a4x h LEU 649 Cb -0.08 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 3a4x h LEU 649 CO -0.06 1.04 0.27 0.58 -0.34 0.00 0.00 178.44 179.94 3a4x h VAL 650 N 0.62 1.07 -0.75 1.05 2.07 -0.88 0.14 116.25 119.56 3a4x h VAL 650 Ca 0.09 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3a4x h VAL 650 Cb 0.72 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3a4x h VAL 650 CO 0.05 0.10 0.40 0.44 0.02 0.00 0.00 177.57 178.58 3a4x h ASP 651 N 0.54 0.95 -0.57 0.57 3.32 -1.03 -0.46 116.42 119.75 3a4x h ASP 651 Ca 0.17 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3a4x h ASP 651 Cb -0.02 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 3a4x h ASP 651 CO -0.06 0.79 0.29 -0.25 -1.72 0.00 0.00 179.24 178.28 3a4x h TRP 652 N 1.05 0.80 -0.39 4.55 7.01 -0.97 -1.57 115.95 126.43 3a4x h TRP 652 Ca 0.26 -0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.11 3a4x h TRP 652 Cb 0.06 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.86 3a4x h TRP 652 CO 0.00 0.60 -0.23 0.00 -2.79 0.00 0.00 178.44 176.02 3a4x h ALA 653 N 1.12 0.85 -0.03 2.65 0.00 -0.20 -0.95 119.26 122.70 3a4x h ALA 653 Ca 0.20 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3a4x h ALA 653 Cb 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3a4x h ALA 653 CO -0.03 0.64 0.01 0.82 0.00 0.00 0.00 179.25 180.69 3a4x h ILE 654 N 0.69 1.10 -1.00 0.00 2.04 -1.03 -1.32 117.51 117.98 3a4x h ILE 654 Ca 0.09 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.72 3a4x h ILE 654 Cb 0.75 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 3a4x h ILE 654 CO 0.06 0.08 0.65 -0.61 0.00 0.00 0.00 178.15 178.33 3a4x h GLN 655 N -0.07 1.18 -0.01 2.37 4.15 -0.99 -2.35 115.11 119.39 3a4x h GLN 655 Ca 0.01 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3a4x h GLN 655 Cb 0.11 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.54 3a4x h GLN 655 CO -0.00 0.78 -0.11 0.72 -1.93 0.00 0.00 178.83 178.30 3a4x n HIS 656 N -4.48 0.00 -3.88 3.99 8.25 -0.39 -4.95 115.22 113.77 3a4x n HIS 656 Ca 0.14 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.34 3a4x n HIS 656 Cb 0.14 -0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.20 3a4x n HIS 656 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3a4x n LYS 657 N -0.29 -4.75 -1.32 -0.41 5.02 -0.52 -4.84 118.16 111.04 3a4x n LYS 657 Ca 0.16 0.55 -0.30 0.00 -2.02 0.00 0.00 58.31 56.71 3a4x n LYS 657 Cb 0.33 -5.19 0.12 0.00 -0.02 0.00 0.00 35.03 30.28 3a4x n LYS 657 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3a4x s ILE 658 N -3.54 2.77 0.18 -0.18 -4.36 -1.05 -4.13 121.20 110.89 3a4x s ILE 658 Ca 0.33 0.25 -0.07 0.00 -0.26 0.00 0.00 60.65 60.90 3a4x s ILE 658 Cb -0.17 -2.82 -0.02 0.00 1.25 0.00 0.00 42.46 40.69 3a4x s ILE 658 CO 0.84 -0.33 1.53 1.23 0.24 0.00 0.00 174.94 178.45 3a4x h GLY 659 N -1.40 0.87 -2.84 6.27 0.00 -0.95 -3.46 103.07 101.55 3a4x h GLY 659 Ca -0.49 -0.87 0.07 0.00 0.00 0.00 0.00 47.33 46.04 3a4x h GLY 659 CO 0.56 0.79 0.36 -1.35 0.00 0.00 0.00 176.54 176.90 3a4x s SER 660 N -6.84 -0.38 0.11 0.19 1.04 -1.15 -1.84 113.70 104.83 3a4x s SER 660 Ca -0.10 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.21 3a4x s SER 660 Cb 0.12 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 3a4x s SER 660 CO 0.86 -0.90 -0.12 -0.76 0.98 0.00 0.00 173.24 173.30 3a4x s LEU 661 N -2.72 2.41 0.30 2.42 1.43 -0.53 -2.48 118.68 119.50 3a4x s LEU 661 Ca 0.06 -0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 52.26 3a4x s LEU 661 Cb -0.02 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.77 3a4x s LEU 661 CO -0.06 -0.20 0.50 0.00 0.23 0.00 0.00 176.35 176.82 3a4x s ALA 662 N -2.29 0.13 0.13 4.21 0.00 -0.78 -2.09 121.76 121.08 3a4x s ALA 662 Ca 0.08 -1.13 -0.14 0.00 0.00 0.00 0.00 51.96 50.76 3a4x s ALA 662 Cb -0.04 1.07 0.02 0.00 0.00 0.00 0.00 23.12 24.17 3a4x s ALA 662 CO 0.02 -0.84 0.36 -0.59 0.00 0.00 0.00 175.76 174.71 3a4x s PHE 663 N -3.49 -0.04 -0.40 0.00 -0.12 -1.26 -3.61 117.98 109.06 3a4x s PHE 663 Ca 0.25 -0.31 -0.14 0.00 -0.05 0.00 0.00 56.93 56.68 3a4x s PHE 663 Cb -0.01 0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.58 3a4x s PHE 663 CO 0.14 -0.71 0.27 -0.46 -0.05 0.00 0.00 175.22 174.41 3a4x s TRP 664 N -3.85 3.24 0.31 3.49 -0.11 -0.23 -1.69 118.94 120.10 3a4x s TRP 664 Ca 0.06 -0.70 -0.12 0.00 1.22 0.00 0.00 56.10 56.56 3a4x s TRP 664 Cb 0.02 -2.55 0.01 0.00 -1.50 0.00 0.00 33.47 29.46 3a4x s TRP 664 CO -0.09 -0.60 0.58 -1.54 -4.62 0.00 0.00 176.95 170.68 3a4x s SER 665 N 1.64 0.14 0.12 5.86 1.04 -1.26 -1.87 113.70 119.38 3a4x s SER 665 Ca 0.04 -1.06 -0.20 0.00 0.48 0.00 0.00 55.95 55.21 3a4x s SER 665 Cb -0.19 0.69 -0.07 0.00 0.10 0.00 0.00 66.02 66.55 3a4x s SER 665 CO 0.09 -1.33 1.78 0.58 0.98 0.00 0.00 173.24 175.33 3a4x h VAL 666 N 2.13 1.04 0.00 5.02 2.07 -0.92 -2.51 116.25 123.08 3a4x h VAL 666 Ca -0.27 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3a4x h VAL 666 Cb 1.25 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3a4x h VAL 666 CO 0.35 0.05 0.00 0.47 0.02 0.00 0.00 177.57 178.46 3a4x n ASP 667 N -4.96 0.02 -0.29 0.57 8.00 -1.26 -1.49 116.55 117.15 3a4x n ASP 667 Ca -0.03 0.51 0.14 0.00 0.71 0.00 0.00 54.79 56.11 3a4x n ASP 667 Cb 0.03 -0.51 0.48 0.00 -0.02 0.00 0.00 41.12 41.10 3a4x n ASP 667 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3a4x n ARG 668 N -1.53 1.07 -1.41 -1.24 1.74 -0.95 -3.56 116.66 110.78 3a4x n ARG 668 Ca 0.04 -0.58 -0.37 0.00 -0.77 0.00 0.00 57.85 56.17 3a4x n ARG 668 Cb 0.19 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 3a4x n ARG 668 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3a4x n ASP 669 N -0.46 8.36 -3.89 0.55 2.03 -0.56 -1.37 116.55 121.20 3a4x n ASP 669 Ca 0.15 -2.67 -0.11 0.00 0.52 0.00 0.00 54.79 52.68 3a4x n ASP 669 Cb 0.33 -1.51 -0.11 0.00 -0.72 0.00 0.00 41.12 39.11 3a4x n ASP 669 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3a4x s HIS 670 N 1.43 0.06 0.75 -0.67 3.76 -1.26 -1.25 115.29 118.11 3a4x s HIS 670 Ca 0.67 -0.13 -0.14 0.00 -0.15 0.00 0.00 55.06 55.31 3a4x s HIS 670 Cb 0.19 -0.06 0.05 0.00 1.11 0.00 0.00 32.58 33.87 3a4x s HIS 670 CO -0.06 -0.18 1.18 -1.25 -0.85 0.00 0.00 174.74 173.58 3a4x s PRO 671 N -0.94 2.08 0.32 8.40 0.04 -1.17 -1.72 135.00 142.02 3a4x s PRO 671 Ca -0.10 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.40 3a4x s PRO 671 Cb -0.06 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.68 3a4x s PRO 671 CO 0.00 -1.86 0.75 0.20 0.04 0.00 0.00 177.00 176.13 3a4x s GLY 672 N -2.26 0.10 0.11 0.56 0.00 -0.68 -4.68 107.32 100.47 3a4x s GLY 672 Ca 0.72 -0.50 -0.36 0.00 0.00 0.00 0.00 44.72 44.58 3a4x s GLY 672 CO 0.47 -0.18 1.43 -1.05 0.00 0.00 0.00 173.10 173.76 3a4x n PRO 673 N -0.49 1.51 -1.68 2.90 -0.02 -1.26 -3.80 135.00 132.16 3a4x n PRO 673 Ca -0.06 0.54 -0.45 0.00 -2.02 0.00 0.00 63.50 61.52 3a4x n PRO 673 Cb 0.59 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 3a4x n PRO 673 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3a4x n THR 674 N 2.85 0.07 -1.00 3.45 -1.04 -1.26 -2.32 114.28 115.03 3a4x n THR 674 Ca 0.18 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 3a4x n THR 674 Cb 0.23 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.03 3a4x n THR 674 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a4x n GLY 675 N 3.68 0.71 3.70 3.41 0.00 -0.91 -5.02 105.19 110.76 3a4x n GLY 675 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3a4x n GLY 675 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a4x s GLU 676 N -0.01 4.23 -0.18 1.61 2.12 -0.98 -5.00 118.70 120.49 3a4x s GLU 676 Ca 0.00 0.20 -0.22 0.00 0.36 0.00 0.00 54.97 55.31 3a4x s GLU 676 Cb 0.00 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 3a4x s GLU 676 CO 0.00 0.09 0.67 0.08 -0.54 0.00 0.00 175.26 175.56 3a4x s VAL 677 N 0.91 5.00 0.02 3.70 1.01 -1.26 -3.91 120.40 125.87 3a4x s VAL 677 Ca 0.19 1.29 -0.15 0.00 0.00 0.00 0.00 61.98 63.31 3a4x s VAL 677 Cb -0.14 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.28 3a4x s VAL 677 CO 0.07 0.12 0.33 -0.55 0.00 0.00 0.00 175.10 175.06 3a4x s SER 678 N 1.13 -0.18 0.00 3.32 0.15 -1.26 -5.03 113.70 111.83 3a4x s SER 678 Ca 0.31 -0.05 0.32 0.00 0.70 0.00 0.00 55.95 57.23 3a4x s SER 678 Cb -0.16 0.35 1.82 0.00 -1.71 0.00 0.00 66.02 66.32 3a4x s SER 678 CO 0.11 -0.56 2.19 -0.81 1.20 0.00 0.00 173.24 175.37 3a4x n PRO 679 N 0.83 0.87 0.00 5.44 -0.04 -1.26 -4.03 135.00 136.81 3a4x n PRO 679 Ca -0.20 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.30 3a4x n PRO 679 Cb 0.58 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 3a4x n PRO 679 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3a4x n LEU 680 N -1.06 0.82 -3.81 1.53 4.77 -1.26 -3.74 117.00 114.25 3a4x n LEU 680 Ca 0.22 -0.68 -0.05 0.00 -0.03 0.00 0.00 56.01 55.46 3a4x n LEU 680 Cb 0.14 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3a4x n LEU 680 CO 0.19 0.17 0.59 -1.38 -1.33 0.00 0.00 177.39 175.64 3a4x s HIS 681 N -1.31 -0.16 -0.79 -1.77 -3.43 -1.23 -4.53 115.29 102.07 3a4x s HIS 681 Ca 0.05 -0.23 0.09 0.00 -0.80 0.00 0.00 55.06 54.17 3a4x s HIS 681 Cb 0.06 0.68 0.22 0.00 -1.43 0.00 0.00 32.58 32.11 3a4x s HIS 681 CO 0.22 -1.04 1.15 2.89 -2.00 0.00 0.00 174.74 175.96 3a4x n ARG 682 N -0.47 2.56 -1.92 -0.38 1.85 -0.47 -4.16 116.66 113.67 3a4x n ARG 682 Ca -0.05 -1.83 -0.16 0.00 -1.00 0.00 0.00 57.85 54.81 3a4x n ARG 682 Cb 0.60 -1.21 -0.04 0.00 -1.05 0.00 0.00 32.46 30.76 3a4x n ARG 682 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3a4x n GLY 683 N 0.34 0.61 3.60 2.89 0.00 -1.25 -0.61 105.19 110.77 3a4x n GLY 683 Ca 0.09 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 3a4x n GLY 683 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a4x s THR 684 N -2.72 0.99 -1.03 2.61 -4.23 -1.25 -2.13 115.64 107.87 3a4x s THR 684 Ca 0.00 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.78 3a4x s THR 684 Cb 0.00 -2.40 0.11 0.00 1.34 0.00 0.00 72.50 71.55 3a4x s THR 684 CO 0.00 0.00 1.61 0.59 -0.54 0.00 0.00 174.62 176.28 3a4x n ASN 685 N -1.18 0.33 -4.77 3.99 3.02 -1.26 -1.69 115.26 113.71 3a4x n ASN 685 Ca -0.10 -0.01 -0.39 0.00 -0.03 0.00 0.00 54.58 54.05 3a4x n ASN 685 Cb 0.66 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.80 3a4x n ASN 685 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3a4x s ASP 686 N -2.97 6.38 1.00 6.41 1.01 -1.26 -4.84 116.67 122.39 3a4x s ASP 686 Ca 0.13 2.54 -0.12 0.00 0.71 0.00 0.00 52.55 55.81 3a4x s ASP 686 Cb 0.18 -2.63 0.19 0.00 1.01 0.00 0.00 42.92 41.67 3a4x s ASP 686 CO 0.63 -0.79 1.08 -2.16 0.21 0.00 0.00 175.17 174.14 3a4x s PRO 687 N -2.26 0.44 0.12 8.23 0.04 -1.26 -3.01 135.00 137.30 3a4x s PRO 687 Ca 0.57 0.76 -0.35 0.00 0.04 0.00 0.00 61.00 62.02 3a4x s PRO 687 Cb -0.35 -1.72 -0.16 0.00 0.04 0.00 0.00 34.50 32.30 3a4x s PRO 687 CO 0.45 -2.79 1.26 -0.25 0.04 0.00 0.00 177.00 175.71 3a4x n ASP 688 N -4.25 1.49 -0.23 6.66 8.00 -1.26 -1.89 116.55 125.06 3a4x n ASP 688 Ca 0.06 1.13 -0.03 0.00 0.71 0.00 0.00 54.79 56.66 3a4x n ASP 688 Cb 0.56 -1.20 -0.01 0.00 -0.02 0.00 0.00 41.12 40.44 3a4x n ASP 688 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3a4x n TRP 689 N 2.06 0.00 -0.23 1.24 7.02 -0.38 -4.91 117.44 122.24 3a4x n TRP 689 Ca 0.17 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.59 3a4x n TRP 689 Cb 0.21 -1.33 0.04 0.00 -2.42 0.00 0.00 31.31 27.82 3a4x n TRP 689 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a4x h ALA 690 N 0.00 0.82 -0.34 6.99 0.00 -1.62 -1.81 119.26 123.31 3a4x h ALA 690 Ca -0.06 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 3a4x h ALA 690 Cb 0.58 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3a4x h ALA 690 CO 0.09 0.30 -0.38 0.74 0.00 0.00 0.00 179.25 179.99 3a4x h PHE 691 N 0.88 1.04 -0.51 0.00 -1.00 -1.91 -2.67 116.94 112.76 3a4x h PHE 691 Ca 0.23 -0.32 0.09 0.00 2.81 0.00 0.00 57.97 60.77 3a4x h PHE 691 Cb -0.03 -0.21 -0.07 0.00 3.61 0.00 0.00 35.95 39.25 3a4x h PHE 691 CO -0.02 1.13 0.12 0.77 -1.61 0.00 0.00 178.31 178.70 3a4x h SER 692 N 0.65 0.03 -0.32 2.17 0.02 -1.81 -0.82 113.55 113.47 3a4x h SER 692 Ca 0.05 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3a4x h SER 692 Cb 0.98 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 3a4x h SER 692 CO 0.09 0.04 -0.03 0.45 -1.14 0.00 0.00 176.83 176.25 3a4x h HIS 693 N 0.26 0.73 -0.15 3.45 3.86 -1.21 -0.72 115.15 121.38 3a4x h HIS 693 Ca 0.26 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 3a4x h HIS 693 Cb 0.34 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 3a4x h HIS 693 CO -0.22 0.71 0.01 0.28 0.86 0.00 0.00 177.93 179.57 3a4x h VAL 694 N 0.65 1.24 -0.30 2.45 2.07 -1.09 -3.21 116.25 118.06 3a4x h VAL 694 Ca 0.13 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 3a4x h VAL 694 Cb 0.44 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3a4x h VAL 694 CO 0.02 0.23 0.00 -0.26 0.02 0.00 0.00 177.57 177.59 3a4x h PHE 695 N 0.02 0.46 -0.26 1.57 -1.00 -0.78 -2.24 116.94 114.71 3a4x h PHE 695 Ca 0.04 -0.04 0.07 0.00 2.81 0.00 0.00 57.97 60.86 3a4x h PHE 695 Cb 0.35 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 3a4x h PHE 695 CO 0.03 0.46 0.18 0.28 -1.61 0.00 0.00 178.31 177.65 3a4x h VAL 696 N 0.44 0.87 -0.24 -0.55 2.07 -1.14 -1.72 116.25 115.98 3a4x h VAL 696 Ca 0.10 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.64 3a4x h VAL 696 Cb 0.29 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3a4x h VAL 696 CO 0.01 0.00 0.16 0.11 0.02 0.00 0.00 177.57 177.87 3a4x h LYS 697 N 0.00 0.22 -0.29 1.57 1.57 -1.46 -0.78 116.57 117.40 3a4x h LYS 697 Ca 0.12 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3a4x h LYS 697 Cb 0.49 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 3a4x h LYS 697 CO -0.00 0.15 0.10 0.35 -0.57 0.00 0.00 179.45 179.47 3a4x h PHE 698 N 0.23 0.18 -0.50 -1.35 3.57 -1.46 -1.89 116.94 115.71 3a4x h PHE 698 Ca 0.10 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 3a4x h PHE 698 Cb 0.11 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3a4x h PHE 698 CO -0.00 0.08 -0.19 1.98 -2.23 0.00 0.00 178.31 177.94 3a4x h MET 699 N 0.23 1.01 -0.23 1.11 4.05 -1.37 -3.04 114.93 116.69 3a4x h MET 699 Ca 0.13 -0.42 -0.00 0.00 -0.28 0.00 0.00 59.70 59.13 3a4x h MET 699 Cb 0.10 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3a4x h MET 699 CO -0.14 1.10 0.14 0.93 0.23 0.00 0.00 176.91 179.18 3a4x h GLU 700 N 0.87 0.30 -0.08 0.39 5.08 -0.95 -1.63 114.58 118.57 3a4x h GLU 700 Ca 0.12 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3a4x h GLU 700 Cb 0.78 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 3a4x h GLU 700 CO 0.06 0.21 0.07 0.00 -1.00 0.00 0.00 179.01 178.36 3a4x h ALA 701 N 1.84 1.88 -0.33 3.43 0.00 -1.22 -2.82 119.26 122.04 3a4x h ALA 701 Ca 0.08 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3a4x h ALA 701 Cb -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 3a4x h ALA 701 CO -0.02 -0.11 -0.09 1.19 0.00 0.00 0.00 179.25 180.22 3a4x n PHE 702 N -4.20 1.03 0.00 0.00 3.01 -0.63 -4.94 117.46 111.73 3a4x n PHE 702 Ca -0.01 -1.55 0.00 0.00 1.01 0.00 0.00 57.45 56.90 3a4x n PHE 702 Cb 0.18 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 3a4x n PHE 702 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3a4x n GLY 703 N -1.09 0.89 3.75 1.37 0.00 -1.06 -4.90 105.19 104.15 3a4x n GLY 703 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 3a4x n GLY 703 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a4x s TYR 704 N -2.01 3.31 -0.07 1.61 5.04 -1.11 -5.00 117.35 119.11 3a4x s TYR 704 Ca 0.00 1.42 -0.04 0.00 -2.44 0.00 0.00 57.07 56.00 3a4x s TYR 704 Cb 0.00 -3.52 0.03 0.00 0.35 0.00 0.00 41.96 38.82 3a4x s TYR 704 CO 0.00 -1.45 0.17 0.95 -1.34 0.00 0.00 175.55 173.87 3a4x s THR 705 N -0.54 -0.02 0.00 4.34 -4.23 -1.26 -4.34 115.64 109.59 3a4x s THR 705 Ca 0.51 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 3a4x s THR 705 Cb -0.36 -0.25 0.00 0.00 1.34 0.00 0.00 72.50 73.23 3a4x s THR 705 CO 0.42 0.03 0.00 0.33 -0.54 0.00 0.00 174.62 174.87