#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dpb s PRO 396 N 0.00 4.24 0.71 6.28 0.02 -1.26 -4.99 135.00 140.01 1dpb s PRO 396 Ca 0.00 2.32 -0.11 0.00 0.02 0.00 0.00 61.00 63.24 1dpb s PRO 396 Cb 0.00 -3.14 0.02 0.00 0.02 0.00 0.00 34.50 31.40 1dpb s PRO 396 CO 0.00 -0.52 1.07 -1.25 -0.33 0.00 0.00 177.00 175.96 1dpb s PRO 397 N 0.50 2.78 -0.14 5.54 0.04 -1.26 -5.02 135.00 137.44 1dpb s PRO 397 Ca 0.65 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 1dpb s PRO 397 Cb -0.43 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 1dpb s PRO 397 CO 0.36 -1.22 0.99 0.42 0.04 0.00 0.00 177.00 177.59 1dpb s ILE 398 N -3.02 4.77 0.09 0.56 -1.09 -1.26 -5.01 121.20 116.25 1dpb s ILE 398 Ca 0.59 1.99 -0.35 0.00 -2.23 0.00 0.00 60.65 60.64 1dpb s ILE 398 Cb -0.15 -4.29 -0.15 0.00 -1.58 0.00 0.00 42.46 36.29 1dpb s ILE 398 CO 0.55 -0.04 1.49 -2.65 -1.23 0.00 0.00 174.94 173.06 1dpb n PRO 399 N 5.36 1.64 -2.04 2.79 -0.02 -1.26 -4.96 135.00 136.51 1dpb n PRO 399 Ca 0.09 0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 1dpb n PRO 399 Cb 0.48 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 1dpb n PRO 399 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1dpb s PRO 400 N 1.00 4.21 0.01 0.52 0.04 -1.26 -5.05 135.00 134.47 1dpb s PRO 400 Ca 0.83 2.27 0.08 0.00 0.04 0.00 0.00 61.00 64.22 1dpb s PRO 400 Cb -0.82 -2.97 -0.02 0.00 0.04 0.00 0.00 34.50 30.72 1dpb s PRO 400 CO 0.44 -0.33 -0.25 0.08 0.04 0.00 0.00 177.00 176.97 1dpb s VAL 401 N -1.17 2.16 -0.68 -0.36 1.01 -1.26 -5.07 120.40 115.04 1dpb s VAL 401 Ca 0.52 -1.23 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 1dpb s VAL 401 Cb -0.41 -1.80 0.07 0.00 0.00 0.00 0.00 36.38 34.25 1dpb s VAL 401 CO 0.54 0.47 0.99 -0.62 0.00 0.00 0.00 175.10 176.48 1dpb s ASP 402 N -0.94 6.19 0.57 3.32 -1.08 -1.26 -4.84 116.67 118.63 1dpb s ASP 402 Ca 0.11 -1.02 0.35 0.00 -0.52 0.00 0.00 52.55 51.47 1dpb s ASP 402 Cb -0.10 -2.42 1.51 0.00 -1.46 0.00 0.00 42.92 40.45 1dpb s ASP 402 CO 0.01 -1.44 2.04 -0.26 0.52 0.00 0.00 175.17 176.03 1dpb h PHE 403 N 9.56 0.00 0.00 -5.34 0.04 -1.97 -2.14 116.94 117.09 1dpb h PHE 403 Ca -0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1dpb h PHE 403 Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1dpb h PHE 403 CO 0.99 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 178.70 1dpb n ALA 404 N -2.09 2.17 0.26 2.45 0.00 -1.26 -2.55 120.51 119.49 1dpb n ALA 404 Ca 0.00 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1dpb n ALA 404 Cb 0.27 -1.41 0.68 0.00 0.00 0.00 0.00 19.45 19.00 1dpb n ALA 404 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1dpb h LYS 405 N 0.00 0.00 -0.00 0.00 1.57 -1.80 -3.21 116.57 113.13 1dpb h LYS 405 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dpb h LYS 405 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1dpb h LYS 405 CO 0.00 0.14 -0.91 0.66 -0.57 0.00 0.00 179.45 178.77 1dpb n TYR 406 N -3.56 0.00 -3.92 -1.35 4.01 -1.06 -5.05 117.16 106.23 1dpb n TYR 406 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1dpb n TYR 406 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1dpb n TYR 406 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dpb n GLY 407 N 1.48 -1.28 3.75 2.72 0.00 -1.21 -5.14 105.19 105.50 1dpb n GLY 407 Ca 0.05 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 1dpb n GLY 407 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dpb s GLU 408 N -1.83 4.60 0.29 1.61 0.41 -1.26 -4.26 118.70 118.25 1dpb s GLU 408 Ca 0.00 1.78 0.03 0.00 -0.41 0.00 0.00 54.97 56.37 1dpb s GLU 408 Cb 0.00 -3.24 -0.06 0.00 -1.78 0.00 0.00 34.13 29.05 1dpb s GLU 408 CO 0.00 0.10 0.06 0.96 -0.49 0.00 0.00 175.26 175.89 1dpb s ILE 409 N -0.57 1.01 -0.11 -1.63 -4.36 -1.26 -5.00 121.20 109.28 1dpb s ILE 409 Ca 0.48 -2.01 -0.09 0.00 -0.26 0.00 0.00 60.65 58.77 1dpb s ILE 409 Cb -0.31 -2.68 0.03 0.00 1.25 0.00 0.00 42.46 40.75 1dpb s ILE 409 CO 0.37 -0.06 0.28 -0.70 0.24 0.00 0.00 174.94 175.08 1dpb s GLU 410 N -3.92 0.30 -0.31 0.37 2.12 -1.26 -5.10 118.70 110.90 1dpb s GLU 410 Ca 0.36 0.43 -0.11 0.00 0.36 0.00 0.00 54.97 56.01 1dpb s GLU 410 Cb 0.08 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.54 1dpb s GLU 410 CO 0.14 -0.07 0.19 -1.21 -0.54 0.00 0.00 175.26 173.77 1dpb s GLU 411 N 0.43 3.62 0.06 4.30 2.02 -1.26 -5.08 118.70 122.79 1dpb s GLU 411 Ca -0.02 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 54.46 1dpb s GLU 411 Cb -0.04 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 1dpb s GLU 411 CO -0.02 -0.33 0.05 0.14 0.02 0.00 0.00 175.26 175.12 1dpb s VAL 412 N 1.70 4.36 0.42 2.63 -7.23 -1.26 -5.12 120.40 115.89 1dpb s VAL 412 Ca 0.06 -0.75 0.01 0.00 -1.81 0.00 0.00 61.98 59.49 1dpb s VAL 412 Cb -0.17 -3.05 -0.01 0.00 0.56 0.00 0.00 36.38 33.71 1dpb s VAL 412 CO 0.09 0.20 0.62 -2.84 -0.31 0.00 0.00 175.10 172.86 1dpb s PRO 413 N -2.14 3.17 0.02 4.82 0.02 -1.26 -5.10 135.00 134.54 1dpb s PRO 413 Ca 0.26 -0.49 -0.19 0.00 0.02 0.00 0.00 61.00 60.60 1dpb s PRO 413 Cb -0.12 -2.61 -0.06 0.00 0.02 0.00 0.00 34.50 31.74 1dpb s PRO 413 CO 0.18 -0.14 0.54 -1.64 -0.33 0.00 0.00 177.00 175.61 1dpb s MET 414 N -4.47 4.20 0.59 5.54 -1.94 -1.26 -5.07 119.30 116.88 1dpb s MET 414 Ca 0.46 0.65 -0.18 0.00 -1.71 0.00 0.00 55.69 54.91 1dpb s MET 414 Cb -0.10 -3.28 -0.04 0.00 2.01 0.00 0.00 34.83 33.42 1dpb s MET 414 CO 0.37 0.53 1.14 0.95 -0.01 0.00 0.00 175.02 178.00 1dpb s THR 415 N -0.69 3.08 0.38 2.05 -4.23 -1.26 -4.88 115.64 110.10 1dpb s THR 415 Ca 0.28 0.62 0.11 0.00 -1.18 0.00 0.00 61.69 61.53 1dpb s THR 415 Cb -0.18 -3.20 0.33 0.00 1.34 0.00 0.00 72.50 70.78 1dpb s THR 415 CO 0.17 -0.20 1.90 0.08 -0.54 0.00 0.00 174.62 176.04 1dpb h ARG 416 N 0.80 0.58 -0.73 3.99 -0.00 -1.98 -0.99 114.38 116.06 1dpb h ARG 416 Ca -0.49 -0.03 0.05 0.00 -0.00 0.00 0.00 59.98 59.51 1dpb h ARG 416 Cb 1.26 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.97 31.05 1dpb h ARG 416 CO 0.56 0.38 0.43 1.25 -0.00 0.00 0.00 179.97 182.59 1dpb h LEU 417 N 0.60 0.66 -1.04 0.08 6.46 -1.91 0.78 115.31 120.95 1dpb h LEU 417 Ca 0.39 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 58.10 1dpb h LEU 417 Cb 0.68 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 1dpb h LEU 417 CO -0.15 0.43 -0.10 0.24 -0.62 0.00 0.00 178.44 178.24 1dpb h MET 418 N 0.80 0.57 -0.04 1.25 2.86 -1.27 -1.27 114.93 117.83 1dpb h MET 418 Ca 0.32 -0.16 -0.21 0.00 -2.06 0.00 0.00 59.70 57.58 1dpb h MET 418 Cb 0.15 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1dpb h MET 418 CO -0.17 0.66 -0.86 1.96 1.06 0.00 0.00 176.91 179.57 1dpb h GLN 419 N 0.52 0.44 0.67 1.72 4.20 -0.78 0.15 115.11 122.03 1dpb h GLN 419 Ca 0.10 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.35 1dpb h GLN 419 Cb 0.49 0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.39 1dpb h GLN 419 CO 0.03 1.07 -0.32 0.82 -0.67 0.00 0.00 178.83 179.76 1dpb h ILE 420 N 0.27 0.26 -0.72 2.54 1.08 -0.70 -2.03 117.51 118.20 1dpb h ILE 420 Ca -0.06 -0.18 0.16 0.00 -0.39 0.00 0.00 64.86 64.38 1dpb h ILE 420 Cb 1.48 0.31 -0.12 0.00 -3.07 0.00 0.00 36.82 35.42 1dpb h ILE 420 CO 0.15 0.02 0.09 1.23 -0.69 0.00 0.00 178.15 178.95 1dpb h GLY 421 N -1.05 0.91 0.79 5.37 0.00 -1.18 -1.21 103.07 106.71 1dpb h GLY 421 Ca -0.09 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.30 1dpb h GLY 421 CO 0.15 -0.24 0.19 0.00 0.00 0.00 0.00 176.54 176.65 1dpb h ALA 422 N 1.64 0.49 -0.74 3.60 0.00 -0.48 -1.35 119.26 122.42 1dpb h ALA 422 Ca 0.40 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 1dpb h ALA 422 Cb 0.70 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1dpb h ALA 422 CO -0.57 -0.17 0.27 1.15 0.00 0.00 0.00 179.25 179.93 1dpb h THR 423 N 0.39 1.26 -0.56 0.00 2.02 -0.52 -1.91 112.91 113.60 1dpb h THR 423 Ca 0.17 -0.85 -0.11 0.00 0.77 0.00 0.00 66.41 66.39 1dpb h THR 423 Cb 0.08 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1dpb h THR 423 CO -0.12 0.34 -0.09 0.78 0.37 0.00 0.00 175.52 176.79 1dpb h ASN 424 N 1.08 1.04 -0.36 4.18 2.35 -0.57 -1.31 115.58 121.98 1dpb h ASN 424 Ca 0.24 -0.34 -0.14 0.00 -0.55 0.00 0.00 56.30 55.51 1dpb h ASN 424 Cb 0.26 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1dpb h ASN 424 CO -0.01 1.14 -0.33 -0.07 -1.65 0.00 0.00 177.43 176.50 1dpb h LEU 425 N 0.93 0.91 -0.85 1.61 3.38 -1.03 -1.20 115.31 119.06 1dpb h LEU 425 Ca 0.15 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.54 1dpb h LEU 425 Cb 0.66 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1dpb h LEU 425 CO 0.05 1.18 -0.38 -0.74 0.09 0.00 0.00 178.44 178.64 1dpb h HIS 426 N 0.66 0.46 -0.46 1.13 2.76 -1.30 0.69 115.15 119.09 1dpb h HIS 426 Ca 0.06 -0.12 -0.06 0.00 -2.20 0.00 0.00 60.37 58.05 1dpb h HIS 426 Cb 0.91 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.75 1dpb h HIS 426 CO 0.07 0.72 0.06 -0.09 -1.30 0.00 0.00 177.93 177.39 1dpb h ARG 427 N 0.33 0.78 -0.47 5.26 2.43 -0.99 -1.91 114.38 119.80 1dpb h ARG 427 Ca 0.03 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1dpb h ARG 427 Cb 0.82 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1dpb h ARG 427 CO 0.07 0.80 0.25 0.77 -1.51 0.00 0.00 179.97 180.34 1dpb h SER 428 N 0.64 0.61 -0.41 -3.80 0.02 -0.97 -1.62 113.55 108.02 1dpb h SER 428 Ca 0.14 -0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1dpb h SER 428 Cb 0.41 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1dpb h SER 428 CO 0.01 0.54 0.15 -0.25 -1.14 0.00 0.00 176.83 176.15 1dpb h TRP 429 N 0.62 0.27 0.00 3.45 2.91 -0.70 0.14 115.95 122.64 1dpb h TRP 429 Ca 0.17 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.21 1dpb h TRP 429 Cb 0.08 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 28.67 1dpb h TRP 429 CO -0.01 0.11 -0.14 -0.07 -1.03 0.00 0.00 178.44 177.30 1dpb h LEU 430 N 0.32 0.00 0.00 0.65 3.38 -1.30 -3.34 115.31 115.02 1dpb h LEU 430 Ca 0.19 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 1dpb h LEU 430 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1dpb h LEU 430 CO -0.18 0.00 -1.57 0.59 0.09 0.00 0.00 178.44 177.36 1dpb n ASN 431 N -3.04 0.65 -4.28 -0.43 4.13 -0.61 -4.88 115.26 106.79 1dpb n ASN 431 Ca 0.03 0.28 -0.36 0.00 1.68 0.00 0.00 54.58 56.22 1dpb n ASN 431 Cb 0.53 0.52 -0.14 0.00 -1.54 0.00 0.00 39.78 39.16 1dpb n ASN 431 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1dpb s VAL 432 N -2.98 3.40 -0.23 2.41 1.01 -0.01 -5.07 120.40 118.93 1dpb s VAL 432 Ca -0.04 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1dpb s VAL 432 Cb 0.09 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1dpb s VAL 432 CO 0.82 0.18 1.69 -2.16 0.00 0.00 0.00 175.10 175.64 1dpb s PRO 433 N 1.42 3.69 -0.06 2.72 0.04 -1.26 -4.79 135.00 136.76 1dpb s PRO 433 Ca 0.02 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 1dpb s PRO 433 Cb -0.16 -4.09 -0.05 0.00 0.04 0.00 0.00 34.50 30.24 1dpb s PRO 433 CO -0.01 -1.43 0.33 -1.01 0.04 0.00 0.00 177.00 174.92 1dpb s HIS 434 N 5.63 3.65 0.01 0.56 3.76 -1.26 -2.03 115.29 125.60 1dpb s HIS 434 Ca 0.75 0.82 0.03 0.00 -0.15 0.00 0.00 55.06 56.51 1dpb s HIS 434 Cb -0.25 -2.23 -0.01 0.00 1.11 0.00 0.00 32.58 31.20 1dpb s HIS 434 CO 0.31 0.58 -0.10 0.08 -0.85 0.00 0.00 174.74 174.76 1dpb s VAL 435 N -0.75 0.77 -0.14 -0.90 1.01 -1.10 -4.96 120.40 114.33 1dpb s VAL 435 Ca 0.21 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1dpb s VAL 435 Cb -0.15 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1dpb s VAL 435 CO 0.09 0.10 -0.05 -0.89 0.00 0.00 0.00 175.10 174.36 1dpb s THR 436 N -0.46 3.82 -0.21 3.92 2.01 -1.26 -1.23 115.64 122.23 1dpb s THR 436 Ca 0.02 -0.39 -0.07 0.00 0.31 0.00 0.00 61.69 61.56 1dpb s THR 436 Cb -0.05 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1dpb s THR 436 CO 0.00 0.51 0.05 -1.58 -0.69 0.00 0.00 174.62 172.90 1dpb s GLN 437 N 0.22 3.75 0.06 4.92 2.00 0.57 -4.94 119.66 126.23 1dpb s GLN 437 Ca -0.03 -0.45 0.02 0.00 -2.00 0.00 0.00 55.36 52.90 1dpb s GLN 437 Cb -0.14 -3.21 -0.04 0.00 0.80 0.00 0.00 33.01 30.42 1dpb s GLN 437 CO 0.03 0.03 0.10 -0.06 -0.50 0.00 0.00 175.29 174.88 1dpb s PHE 438 N 1.01 3.25 0.18 1.67 0.08 -1.26 -0.51 117.98 122.42 1dpb s PHE 438 Ca 0.03 0.13 -0.17 0.00 0.12 0.00 0.00 56.93 57.04 1dpb s PHE 438 Cb -0.14 -1.67 0.03 0.00 -0.57 0.00 0.00 43.02 40.67 1dpb s PHE 438 CO 0.03 0.54 0.50 -2.00 -0.10 0.00 0.00 175.22 174.18 1dpb s GLU 439 N -2.24 1.33 -0.00 0.44 2.56 -0.94 -5.00 118.70 114.84 1dpb s GLU 439 Ca 0.28 -0.84 0.01 0.00 0.00 0.00 0.00 54.97 54.42 1dpb s GLU 439 Cb -0.12 0.51 -0.00 0.00 2.00 0.00 0.00 34.13 36.52 1dpb s GLU 439 CO 0.21 -0.56 -0.03 -1.54 -0.56 0.00 0.00 175.26 172.78 1dpb s SER 440 N -2.86 0.34 0.07 -1.70 1.04 -1.26 -1.23 113.70 108.09 1dpb s SER 440 Ca 0.08 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.46 1dpb s SER 440 Cb -0.00 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 1dpb s SER 440 CO -0.04 0.03 0.17 0.00 0.98 0.00 0.00 173.24 174.37 1dpb s ALA 441 N -0.09 3.86 -0.39 5.32 0.00 -0.26 -4.88 121.76 125.31 1dpb s ALA 441 Ca 0.01 -0.90 -0.21 0.00 0.00 0.00 0.00 51.96 50.86 1dpb s ALA 441 Cb -0.01 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.42 1dpb s ALA 441 CO -0.00 0.80 0.67 0.34 0.00 0.00 0.00 175.76 177.57 1dpb s ASP 442 N -2.47 6.41 -0.21 0.00 -1.08 -1.26 -0.55 116.67 117.51 1dpb s ASP 442 Ca 0.33 0.01 0.14 0.00 -0.52 0.00 0.00 52.55 52.51 1dpb s ASP 442 Cb -0.13 -2.34 0.45 0.00 -1.46 0.00 0.00 42.92 39.45 1dpb s ASP 442 CO 0.26 -0.70 1.35 2.30 0.52 0.00 0.00 175.17 178.90 1dpb n ILE 443 N 5.74 2.27 -0.25 4.11 -5.35 0.05 -3.40 119.36 122.53 1dpb n ILE 443 Ca -0.00 -2.46 -0.02 0.00 -0.27 0.00 0.00 62.75 60.00 1dpb n ILE 443 Cb 0.48 -0.27 0.09 0.00 -1.74 0.00 0.00 39.64 38.20 1dpb n ILE 443 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1dpb h THR 444 N 1.00 1.05 -0.01 7.28 2.02 -1.91 -0.21 112.91 122.14 1dpb h THR 444 Ca 0.07 -0.28 -0.20 0.00 0.77 0.00 0.00 66.41 66.77 1dpb h THR 444 Cb 1.35 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1dpb h THR 444 CO 0.20 0.15 -0.87 -0.33 0.37 0.00 0.00 175.52 175.03 1dpb h GLU 445 N 0.83 0.27 -0.61 6.66 4.39 -1.87 -2.13 114.58 122.13 1dpb h GLU 445 Ca 0.30 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1dpb h GLU 445 Cb 0.09 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1dpb h GLU 445 CO -0.14 0.99 0.21 1.25 -1.16 0.00 0.00 179.01 180.16 1dpb h LEU 446 N 0.16 0.86 -0.16 1.33 6.46 -1.66 -1.14 115.31 121.16 1dpb h LEU 446 Ca -0.05 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1dpb h LEU 446 Cb 1.50 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 1dpb h LEU 446 CO 0.14 0.82 0.02 -0.08 -0.62 0.00 0.00 178.44 178.72 1dpb h GLU 447 N 0.85 0.27 -0.35 1.25 4.57 -0.98 -0.42 114.58 119.78 1dpb h GLU 447 Ca 0.20 -0.08 0.07 0.00 -1.18 0.00 0.00 59.36 58.37 1dpb h GLU 447 Cb 0.25 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 1dpb h GLU 447 CO -0.01 0.46 -0.06 0.00 -1.18 0.00 0.00 179.01 178.22 1dpb h ALA 448 N 0.80 0.26 -0.31 2.92 0.00 -1.24 -1.94 119.26 119.75 1dpb h ALA 448 Ca 0.05 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1dpb h ALA 448 Cb 0.33 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1dpb h ALA 448 CO 0.00 -0.44 0.03 0.35 0.00 0.00 0.00 179.25 179.20 1dpb h PHE 449 N 0.03 0.05 -0.49 0.00 3.57 -0.86 -0.68 116.94 118.56 1dpb h PHE 449 Ca 0.17 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.79 1dpb h PHE 449 Cb 0.25 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.93 1dpb h PHE 449 CO -0.29 -0.01 -0.06 -0.09 -2.23 0.00 0.00 178.31 175.62 1dpb h ARG 450 N 0.14 0.05 -0.23 1.11 2.43 -0.66 -1.52 114.38 115.70 1dpb h ARG 450 Ca 0.15 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.16 1dpb h ARG 450 Cb 0.18 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1dpb h ARG 450 CO -0.22 0.03 -0.49 0.28 -1.51 0.00 0.00 179.97 178.06 1dpb h VAL 451 N 0.05 1.31 -0.45 0.20 2.07 -1.20 -2.86 116.25 115.37 1dpb h VAL 451 Ca 0.24 -1.71 -0.11 0.00 0.82 0.00 0.00 66.70 65.95 1dpb h VAL 451 Cb 0.37 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1dpb h VAL 451 CO -0.46 0.54 -0.16 0.00 0.02 0.00 0.00 177.57 177.51 1dpb h ALA 452 N 0.96 0.87 -0.12 1.67 0.00 -0.32 -3.05 119.26 119.26 1dpb h ALA 452 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1dpb h ALA 452 Cb 1.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1dpb h ALA 452 CO 0.10 0.64 0.00 1.04 0.00 0.00 0.00 179.25 181.02 1dpb n GLN 453 N -4.13 1.70 -0.26 0.00 1.13 -0.65 -3.90 117.38 111.27 1dpb n GLN 453 Ca 0.01 -0.61 0.01 0.00 -1.94 0.00 0.00 57.00 54.48 1dpb n GLN 453 Cb 0.41 -1.56 0.23 0.00 0.11 0.00 0.00 30.24 29.43 1dpb n GLN 453 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1dpb h LYS 454 N 0.80 1.03 0.47 -1.09 6.56 -1.47 -1.11 116.57 121.77 1dpb h LYS 454 Ca 0.00 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.51 1dpb h LYS 454 Cb 0.69 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 32.11 1dpb h LYS 454 CO 0.08 0.68 -0.33 0.00 -2.06 0.00 0.00 179.45 177.82 1dpb h ALA 455 N 1.50 -0.79 0.20 3.86 0.00 -1.85 -0.98 119.26 121.21 1dpb h ALA 455 Ca 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1dpb h ALA 455 Cb -0.02 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1dpb h ALA 455 CO -0.09 -0.97 -0.17 0.28 0.00 0.00 0.00 179.25 178.30 1dpb h VAL 456 N -0.78 0.62 -0.36 0.00 2.07 -1.80 0.52 116.25 116.52 1dpb h VAL 456 Ca -0.05 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.55 1dpb h VAL 456 Cb 0.66 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 1dpb h VAL 456 CO 0.02 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.45 1dpb h ALA 457 N 0.36 0.11 -0.39 1.67 0.00 -1.20 -0.72 119.26 119.09 1dpb h ALA 457 Ca -0.01 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1dpb h ALA 457 Cb 0.36 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1dpb h ALA 457 CO -0.02 -0.54 -0.05 1.05 0.00 0.00 0.00 179.25 179.68 1dpb h GLU 458 N -0.11 0.64 0.00 0.00 4.11 -0.69 -1.02 114.58 117.52 1dpb h GLU 458 Ca 0.18 -0.17 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 1dpb h GLU 458 Cb 0.38 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1dpb h GLU 458 CO -0.43 0.70 -0.08 1.57 0.07 0.00 0.00 179.01 180.84 1dpb h LYS 459 N 0.60 0.00 -0.09 1.06 -0.00 0.10 -1.48 116.57 116.76 1dpb h LYS 459 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.77 1dpb h LYS 459 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.68 1dpb h LYS 459 CO 0.02 0.08 0.00 0.00 -0.00 0.00 0.00 179.45 179.55 1dpb n ALA 460 N -2.17 2.49 -0.98 0.07 0.00 -0.37 -4.99 120.51 114.56 1dpb n ALA 460 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1dpb n ALA 460 Cb 0.28 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1dpb n ALA 460 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dpb n GLY 461 N 1.30 0.94 3.86 0.00 0.00 -0.56 -5.04 105.19 105.70 1dpb n GLY 461 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1dpb n GLY 461 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dpb s VAL 462 N -3.81 4.07 -0.23 1.61 -7.23 -1.04 -4.97 120.40 108.80 1dpb s VAL 462 Ca 0.00 -1.32 -0.05 0.00 -1.81 0.00 0.00 61.98 58.81 1dpb s VAL 462 Cb 0.00 -3.34 -0.01 0.00 0.56 0.00 0.00 36.38 33.59 1dpb s VAL 462 CO 0.00 -0.25 -0.01 -1.59 -0.31 0.00 0.00 175.10 172.94 1dpb s LYS 463 N -3.95 3.38 -0.58 4.82 0.00 -1.26 -3.80 119.74 118.35 1dpb s LYS 463 Ca 0.38 -0.63 -0.28 0.00 0.00 0.00 0.00 55.97 55.44 1dpb s LYS 463 Cb -0.07 -3.11 0.02 0.00 0.00 0.00 0.00 37.83 34.67 1dpb s LYS 463 CO 0.27 -0.23 1.37 -1.17 0.00 0.00 0.00 175.35 175.59 1dpb s LEU 464 N 1.50 3.38 0.00 2.77 2.96 -1.26 -4.95 118.68 123.09 1dpb s LEU 464 Ca 0.05 0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1dpb s LEU 464 Cb -0.15 -3.01 0.00 0.00 0.50 0.00 0.00 46.19 43.53 1dpb s LEU 464 CO -0.01 -1.70 0.00 0.35 -1.32 0.00 0.00 176.35 173.67 1dpb n THR 465 N 6.79 0.00 0.19 3.68 -2.24 -1.26 -4.94 114.28 116.50 1dpb n THR 465 Ca 0.11 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.98 1dpb n THR 465 Cb 0.49 -0.83 0.12 0.00 -2.10 0.00 0.00 70.33 68.02 1dpb n THR 465 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1dpb h VAL 466 N 0.09 0.22 0.15 2.28 3.04 -2.01 -3.38 116.25 116.64 1dpb h VAL 466 Ca 0.00 -1.32 -0.01 0.00 -1.01 0.00 0.00 66.70 64.36 1dpb h VAL 466 Cb 0.00 2.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1dpb h VAL 466 CO 0.00 0.13 -0.07 0.25 -1.01 0.00 0.00 177.57 176.87 1dpb h LEU 467 N 0.00 -0.17 -1.87 3.16 6.46 -1.98 -0.38 115.31 120.53 1dpb h LEU 467 Ca -0.00 0.01 0.17 0.00 -0.12 0.00 0.00 57.88 57.93 1dpb h LEU 467 Cb 1.10 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 41.05 1dpb h LEU 467 CO 0.02 -0.12 0.46 1.55 -0.62 0.00 0.00 178.44 179.72 1dpb h PRO 468 N -0.20 0.12 -0.07 5.25 0.13 -1.90 0.61 132.00 135.93 1dpb h PRO 468 Ca -0.02 -0.01 -0.24 0.00 -0.87 0.00 0.00 66.00 64.86 1dpb h PRO 468 Cb 0.15 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.27 1dpb h PRO 468 CO 0.03 0.08 -0.90 -0.07 -0.23 0.00 0.00 178.00 176.92 1dpb h LEU 469 N 0.12 0.84 -0.30 1.56 3.38 -1.61 -1.45 115.31 117.86 1dpb h LEU 469 Ca 0.31 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1dpb h LEU 469 Cb 1.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1dpb h LEU 469 CO -0.04 1.41 0.05 -0.07 0.09 0.00 0.00 178.44 179.88 1dpb h LEU 470 N 0.42 0.48 -0.13 1.67 4.07 0.58 -2.18 115.31 120.23 1dpb h LEU 470 Ca -0.08 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1dpb h LEU 470 Cb 1.53 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 43.14 1dpb h LEU 470 CO 0.18 0.61 0.08 -0.07 -1.08 0.00 0.00 178.44 178.16 1dpb h LEU 471 N 0.33 0.15 -0.62 1.67 3.38 -0.93 -0.80 115.31 118.49 1dpb h LEU 471 Ca 0.09 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1dpb h LEU 471 Cb 0.33 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1dpb h LEU 471 CO 0.01 0.14 0.38 0.11 0.09 0.00 0.00 178.44 179.16 1dpb h LYS 472 N 0.15 0.73 -0.21 1.13 1.79 -1.23 -1.52 116.57 117.40 1dpb h LYS 472 Ca 0.05 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.36 1dpb h LYS 472 Cb 0.01 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.50 1dpb h LYS 472 CO -0.01 0.48 -0.32 0.00 -1.08 0.00 0.00 179.45 178.52 1dpb h ALA 473 N 1.27 0.33 -0.20 3.86 0.00 -1.21 -1.86 119.26 121.45 1dpb h ALA 473 Ca 0.25 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1dpb h ALA 473 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1dpb h ALA 473 CO -0.10 0.36 -0.17 0.00 0.00 0.00 0.00 179.25 179.34 1dpb h ALA 475 N 1.52 0.61 -0.60 0.00 0.00 -1.09 0.31 119.26 120.01 1dpb h ALA 475 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1dpb h ALA 475 Cb 0.49 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1dpb h ALA 475 CO 0.03 0.40 0.39 -0.92 0.00 0.00 0.00 179.25 179.15 1dpb h TYR 476 N 0.65 0.76 0.00 0.00 3.20 -1.01 -2.59 116.97 117.98 1dpb h TYR 476 Ca 0.13 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.90 1dpb h TYR 476 Cb 0.48 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1dpb h TYR 476 CO 0.04 0.49 -0.56 -0.07 -1.64 0.00 0.00 178.16 176.41 1dpb h LEU 477 N 0.81 0.00 -1.34 2.82 3.38 -0.86 -2.32 115.31 117.81 1dpb h LEU 477 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1dpb h LEU 477 Cb -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1dpb h LEU 477 CO -0.05 0.56 -0.03 -0.07 0.09 0.00 0.00 178.44 178.95 1dpb h LEU 478 N 0.00 0.00 0.01 1.67 4.07 -0.01 -0.24 115.31 120.82 1dpb h LEU 478 Ca -0.01 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.70 1dpb h LEU 478 Cb 1.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.70 1dpb h LEU 478 CO 0.07 0.03 -1.37 0.11 -1.08 0.00 0.00 178.44 176.20 1dpb h LYS 479 N 0.00 0.02 0.15 1.13 1.79 -1.26 -3.31 116.57 115.09 1dpb h LYS 479 Ca -0.00 -0.03 -0.29 0.00 -2.18 0.00 0.00 60.65 58.15 1dpb h LYS 479 Cb 0.57 0.01 0.02 0.00 -1.58 0.00 0.00 32.23 31.25 1dpb h LYS 479 CO 0.00 0.77 -1.28 1.49 -1.08 0.00 0.00 179.45 179.34 1dpb h GLU 480 N 0.00 0.45 -2.90 3.15 4.81 -0.67 -3.39 114.58 116.03 1dpb h GLU 480 Ca -0.16 -0.69 -0.65 0.00 -0.13 0.00 0.00 59.36 57.74 1dpb h GLU 480 Cb 1.90 0.24 -0.39 0.00 0.63 0.00 0.00 28.75 31.13 1dpb h GLU 480 CO 0.11 1.31 -0.37 1.28 -0.73 0.00 0.00 179.01 180.61 1dpb n LEU 481 N -3.67 3.73 0.32 1.64 4.77 -0.22 -4.98 117.00 118.59 1dpb n LEU 481 Ca -0.12 -5.26 0.20 0.00 -0.03 0.00 0.00 56.01 50.80 1dpb n LEU 481 Cb 1.02 -0.85 1.08 0.00 -2.33 0.00 0.00 43.42 42.34 1dpb n LEU 481 CO 0.57 1.78 1.16 1.55 -1.33 0.00 0.00 177.39 181.12 1dpb h PRO 482 N 5.22 0.00 0.00 3.23 0.13 -1.77 -1.81 132.00 137.00 1dpb h PRO 482 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1dpb h PRO 482 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1dpb h PRO 482 CO 0.82 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.15 1dpb h ASP 483 N 0.00 0.00 1.56 1.44 3.32 -1.94 0.51 116.42 121.32 1dpb h ASP 483 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dpb h ASP 483 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1dpb h ASP 483 CO -0.00 0.00 -0.06 -0.26 -1.72 0.00 0.00 179.24 177.20 1dpb h PHE 484 N 0.00 0.00 -1.62 4.55 0.04 -1.64 -3.31 116.94 114.96 1dpb h PHE 484 Ca 0.00 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.08 1dpb h PHE 484 Cb 0.13 0.00 -0.32 0.00 2.20 0.00 0.00 35.95 37.96 1dpb h PHE 484 CO 0.00 0.00 0.43 -1.71 -0.60 0.00 0.00 178.31 176.43 1dpb n ASN 485 N -2.48 6.64 -4.09 2.17 5.15 0.17 -4.71 115.26 118.12 1dpb n ASN 485 Ca 0.05 -3.79 -0.11 0.00 -0.60 0.00 0.00 54.58 50.12 1dpb n ASN 485 Cb 0.46 -0.84 -0.08 0.00 -0.53 0.00 0.00 39.78 38.78 1dpb n ASN 485 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1dpb s SER 486 N -2.02 0.14 0.17 1.20 1.04 -1.25 -1.95 113.70 111.03 1dpb s SER 486 Ca 0.53 -1.26 0.07 0.00 0.48 0.00 0.00 55.95 55.76 1dpb s SER 486 Cb 0.44 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.97 1dpb s SER 486 CO -0.26 -0.95 -0.14 -0.44 0.98 0.00 0.00 173.24 172.44 1dpb s SER 487 N -3.12 2.26 -0.08 7.02 0.01 -0.49 -4.08 113.70 115.22 1dpb s SER 487 Ca 0.34 -0.95 -0.30 0.00 1.31 0.00 0.00 55.95 56.35 1dpb s SER 487 Cb 0.04 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 1dpb s SER 487 CO 0.12 -0.19 1.06 -0.22 0.41 0.00 0.00 173.24 174.42 1dpb s LEU 488 N -3.01 4.26 0.63 2.44 2.96 -1.26 0.01 118.68 124.70 1dpb s LEU 488 Ca 0.17 1.62 -0.18 0.00 -0.22 0.00 0.00 54.13 55.52 1dpb s LEU 488 Cb -0.01 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1dpb s LEU 488 CO 0.04 -0.47 0.92 0.00 -1.32 0.00 0.00 176.35 175.52 1dpb n ALA 489 N 4.97 -0.03 0.10 5.97 0.00 0.23 -4.86 120.51 126.90 1dpb n ALA 489 Ca 0.09 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.64 1dpb n ALA 489 Cb 0.48 -2.08 0.66 0.00 0.00 0.00 0.00 19.45 18.51 1dpb n ALA 489 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1dpb h PRO 490 N 0.29 0.03 0.00 0.00 0.11 -1.96 -1.48 132.00 128.99 1dpb h PRO 490 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1dpb h PRO 490 Cb 1.36 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1dpb h PRO 490 CO 0.49 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.17 1dpb n SER 491 N -4.45 0.00 0.00 -2.05 3.41 -1.26 -4.84 113.62 104.42 1dpb n SER 491 Ca 0.04 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1dpb n SER 491 Cb 0.37 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1dpb n SER 491 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dpb n GLY 492 N -0.32 0.39 0.38 5.00 0.00 -0.56 -4.75 105.19 105.33 1dpb n GLY 492 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1dpb n GLY 492 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dpb n GLN 493 N -2.00 2.23 -3.84 1.61 0.00 -1.26 -4.98 117.38 109.15 1dpb n GLN 493 Ca 0.00 -1.64 -0.09 0.00 0.00 0.00 0.00 57.00 55.27 1dpb n GLN 493 Cb 0.00 -1.17 -0.07 0.00 0.00 0.00 0.00 30.24 29.00 1dpb n GLN 493 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1dpb s ALA 494 N -0.91 -0.29 -0.11 2.61 0.00 -1.26 -5.06 121.76 116.75 1dpb s ALA 494 Ca 0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 1dpb s ALA 494 Cb 0.07 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 1dpb s ALA 494 CO 0.10 -0.50 -0.10 -0.51 0.00 0.00 0.00 175.76 174.75 1dpb s LEU 495 N -2.75 2.91 -0.54 0.00 1.02 -1.26 -0.60 118.68 117.46 1dpb s LEU 495 Ca 0.03 -0.21 -0.20 0.00 0.02 0.00 0.00 54.13 53.78 1dpb s LEU 495 Cb 0.04 -1.65 0.07 0.00 0.02 0.00 0.00 46.19 44.67 1dpb s LEU 495 CO -0.10 0.24 0.69 -0.63 0.02 0.00 0.00 176.35 176.57 1dpb s ILE 496 N -0.06 4.78 -0.12 -0.59 1.01 0.10 -4.86 121.20 121.47 1dpb s ILE 496 Ca -0.01 -0.53 -0.27 0.00 0.00 0.00 0.00 60.65 59.83 1dpb s ILE 496 Cb -0.14 -4.39 -0.02 0.00 0.01 0.00 0.00 42.46 37.93 1dpb s ILE 496 CO 0.03 -0.95 0.91 -0.13 0.00 0.00 0.00 174.94 174.81 1dpb s ARG 497 N 2.85 4.39 0.13 2.79 0.52 -1.26 -1.39 118.95 126.97 1dpb s ARG 497 Ca 0.16 1.21 -0.23 0.00 -0.52 0.00 0.00 55.73 56.35 1dpb s ARG 497 Cb -0.20 -3.54 -0.07 0.00 0.52 0.00 0.00 34.95 31.66 1dpb s ARG 497 CO 0.11 -0.27 0.71 0.15 0.02 0.00 0.00 175.30 176.02 1dpb s LYS 498 N 1.88 4.45 0.00 3.54 1.02 -0.82 -4.95 119.74 124.85 1dpb s LYS 498 Ca 0.44 1.02 0.23 0.00 0.02 0.00 0.00 55.97 57.68 1dpb s LYS 498 Cb -0.18 -3.26 0.58 0.00 -0.52 0.00 0.00 37.83 34.45 1dpb s LYS 498 CO 0.17 0.57 1.50 1.63 -0.92 0.00 0.00 175.35 178.30 1dpb n LYS 499 N 1.73 2.66 -4.37 1.68 4.76 -1.26 -4.93 118.16 118.44 1dpb n LYS 499 Ca -0.07 -2.56 -0.24 0.00 -2.87 0.00 0.00 58.31 52.57 1dpb n LYS 499 Cb 0.49 -1.56 -0.09 0.00 -1.84 0.00 0.00 35.03 32.04 1dpb n LYS 499 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1dpb s TYR 500 N -1.16 2.51 -0.32 2.13 1.13 -1.26 -5.12 117.35 115.26 1dpb s TYR 500 Ca 0.46 -0.38 0.00 0.00 -1.41 0.00 0.00 57.07 55.74 1dpb s TYR 500 Cb 0.25 -1.33 0.10 0.00 -1.10 0.00 0.00 41.96 39.88 1dpb s TYR 500 CO 0.33 0.56 0.09 0.08 -2.51 0.00 0.00 175.55 174.10 1dpb s VAL 501 N -2.49 1.19 -0.06 -3.49 1.01 -1.26 -4.98 120.40 110.32 1dpb s VAL 501 Ca 0.33 -1.61 0.04 0.00 0.00 0.00 0.00 61.98 60.73 1dpb s VAL 501 Cb -0.02 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1dpb s VAL 501 CO 0.18 -0.66 -0.15 -1.00 0.00 0.00 0.00 175.10 173.47 1dpb s HIS 502 N 1.46 2.68 -0.03 5.22 3.76 -1.26 -1.63 115.29 125.48 1dpb s HIS 502 Ca 0.10 -0.25 0.04 0.00 -0.15 0.00 0.00 55.06 54.80 1dpb s HIS 502 Cb -0.18 -1.64 -0.00 0.00 1.11 0.00 0.00 32.58 31.87 1dpb s HIS 502 CO -0.21 0.11 -0.15 0.42 -0.85 0.00 0.00 174.74 174.06 1dpb s ILE 503 N -0.58 1.23 0.28 0.60 1.01 -0.60 -0.01 121.20 123.13 1dpb s ILE 503 Ca 0.08 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1dpb s ILE 503 Cb -0.11 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 1dpb s ILE 503 CO 0.01 0.36 0.42 -0.83 0.00 0.00 0.00 174.94 174.90 1dpb s GLY 504 N -0.01 1.29 -0.02 6.18 0.00 -0.47 -1.13 107.32 113.18 1dpb s GLY 504 Ca -0.02 -1.19 -0.01 0.00 0.00 0.00 0.00 44.72 43.50 1dpb s GLY 504 CO 0.01 -1.18 0.04 -0.11 0.00 0.00 0.00 173.10 171.87 1dpb s PHE 505 N -2.08 -0.05 0.11 1.90 -0.71 -0.75 -1.45 117.98 114.94 1dpb s PHE 505 Ca 0.37 0.12 -0.31 0.00 -1.04 0.00 0.00 56.93 56.07 1dpb s PHE 505 Cb -0.09 0.00 -0.07 0.00 -1.21 0.00 0.00 43.02 41.65 1dpb s PHE 505 CO 0.31 -0.03 1.35 0.00 -1.34 0.00 0.00 175.22 175.51 1dpb s ALA 506 N 0.09 3.55 -0.10 1.99 0.00 -0.70 -3.65 121.76 122.94 1dpb s ALA 506 Ca -0.01 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.04 1dpb s ALA 506 Cb -0.01 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1dpb s ALA 506 CO -0.00 -0.57 -0.17 0.08 0.00 0.00 0.00 175.76 175.10 1dpb s VAL 507 N 1.04 1.57 -0.24 0.00 1.01 0.24 -4.71 120.40 119.30 1dpb s VAL 507 Ca 0.63 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 1dpb s VAL 507 Cb -0.35 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1dpb s VAL 507 CO 0.30 0.45 0.06 -1.81 0.00 0.00 0.00 175.10 174.11 1dpb s ASP 508 N 0.79 5.10 0.45 3.32 1.01 -1.26 -0.98 116.67 125.09 1dpb s ASP 508 Ca -0.11 -0.20 0.06 0.00 0.71 0.00 0.00 52.55 53.01 1dpb s ASP 508 Cb -0.16 -1.91 -0.02 0.00 1.01 0.00 0.00 42.92 41.84 1dpb s ASP 508 CO 0.01 -0.02 0.25 0.42 0.21 0.00 0.00 175.17 176.05 1dpb s THR 509 N 1.53 2.13 0.28 -1.27 -4.23 0.07 -5.00 115.64 109.15 1dpb s THR 509 Ca 0.06 -1.61 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1dpb s THR 509 Cb -0.15 -2.74 0.27 0.00 1.34 0.00 0.00 72.50 71.23 1dpb s THR 509 CO 0.03 0.00 1.90 -0.65 -0.54 0.00 0.00 174.62 175.36 1dpb h PRO 510 N 1.20 1.09 0.00 3.99 0.11 -1.96 -2.67 132.00 133.76 1dpb h PRO 510 Ca -0.41 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1dpb h PRO 510 Cb 1.27 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1dpb h PRO 510 CO 0.65 0.72 -0.05 -0.25 -0.21 0.00 0.00 178.00 178.87 1dpb n ASP 511 N -4.48 0.17 0.00 -2.05 9.92 -1.26 -5.02 116.55 113.82 1dpb n ASP 511 Ca 0.14 0.45 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 1dpb n ASP 511 Cb 0.17 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 1dpb n ASP 511 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dpb n GLY 512 N 1.47 0.20 3.74 0.44 0.00 -1.01 -3.69 105.19 106.35 1dpb n GLY 512 Ca 0.07 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 1dpb n GLY 512 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dpb s LEU 513 N 0.00 4.36 0.14 0.99 2.96 -1.26 -0.75 118.68 125.11 1dpb s LEU 513 Ca 0.00 1.09 0.11 0.00 -0.22 0.00 0.00 54.13 55.11 1dpb s LEU 513 Cb 0.00 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 1dpb s LEU 513 CO 0.00 0.02 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.02 1dpb s LEU 514 N 0.27 2.34 -0.54 -0.68 1.43 -0.15 -4.97 118.68 116.38 1dpb s LEU 514 Ca 0.32 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1dpb s LEU 514 Cb -0.17 -1.21 0.16 0.00 0.03 0.00 0.00 46.19 45.00 1dpb s LEU 514 CO 0.16 0.17 0.37 -0.69 0.23 0.00 0.00 176.35 176.59 1dpb s VAL 515 N -1.16 1.70 0.64 -1.59 1.01 -1.26 -0.59 120.40 119.15 1dpb s VAL 515 Ca 0.15 -3.28 -0.17 0.00 0.00 0.00 0.00 61.98 58.67 1dpb s VAL 515 Cb -0.10 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1dpb s VAL 515 CO 0.07 -1.04 0.97 -0.81 0.00 0.00 0.00 175.10 174.29 1dpb n PRO 516 N 2.70 0.77 -4.82 2.72 -0.04 -1.24 -4.63 135.00 130.46 1dpb n PRO 516 Ca 0.19 0.31 -0.33 0.00 -0.04 0.00 0.00 63.50 63.64 1dpb n PRO 516 Cb 0.39 -2.20 -0.15 0.00 -0.04 0.00 0.00 33.50 31.50 1dpb n PRO 516 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1dpb s VAL 517 N -1.60 2.76 -0.22 0.52 1.01 0.19 -1.81 120.40 121.25 1dpb s VAL 517 Ca 0.76 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1dpb s VAL 517 Cb -0.39 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1dpb s VAL 517 CO 0.47 0.53 0.12 -0.63 0.00 0.00 0.00 175.10 175.59 1dpb s ILE 518 N 0.45 5.15 0.07 2.22 1.01 -0.28 -4.92 121.20 124.90 1dpb s ILE 518 Ca -0.11 0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.43 1dpb s ILE 518 Cb -0.16 -3.37 -0.07 0.00 0.01 0.00 0.00 42.46 38.87 1dpb s ILE 518 CO 0.05 0.39 0.61 -0.13 0.00 0.00 0.00 174.94 175.87 1dpb s ARG 519 N 0.77 4.29 -1.20 2.79 1.81 -1.26 -1.56 118.95 124.59 1dpb s ARG 519 Ca 0.06 0.81 -0.05 0.00 -1.72 0.00 0.00 55.73 54.83 1dpb s ARG 519 Cb -0.13 -3.27 -0.02 0.00 -0.45 0.00 0.00 34.95 31.09 1dpb s ARG 519 CO 0.02 0.56 0.81 0.09 -0.68 0.00 0.00 175.30 176.10 1dpb n ASN 520 N 1.95 -3.22 -0.07 0.23 3.02 -0.64 -4.84 115.26 111.69 1dpb n ASN 520 Ca -0.09 -0.80 0.06 0.00 -0.03 0.00 0.00 54.58 53.72 1dpb n ASN 520 Cb 0.50 -4.35 0.41 0.00 -0.61 0.00 0.00 39.78 35.74 1dpb n ASN 520 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1dpb h VAL 521 N -1.71 1.05 0.00 2.41 2.07 -1.55 -0.33 116.25 118.20 1dpb h VAL 521 Ca -0.62 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1dpb h VAL 521 Cb 1.35 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1dpb h VAL 521 CO 0.51 0.11 0.08 -2.24 0.02 0.00 0.00 177.57 176.05 1dpb h ASP 522 N 0.60 0.00 -0.01 0.57 2.03 -1.88 -2.04 116.42 115.68 1dpb h ASP 522 Ca 0.22 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 1dpb h ASP 522 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1dpb h ASP 522 CO -0.06 0.00 -0.32 0.00 -1.03 0.00 0.00 179.24 177.83 1dpb n GLN 523 N -2.59 1.69 -4.08 4.15 6.02 -0.13 -5.01 117.38 117.43 1dpb n GLN 523 Ca -0.02 -0.81 -0.24 0.00 -0.01 0.00 0.00 57.00 55.91 1dpb n GLN 523 Cb 0.12 -1.26 -0.05 0.00 1.02 0.00 0.00 30.24 30.07 1dpb n GLN 523 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1dpb s LYS 524 N -1.85 2.98 0.58 -1.09 1.02 -0.77 -5.11 119.74 115.50 1dpb s LYS 524 Ca 0.13 -0.91 0.03 0.00 0.02 0.00 0.00 55.97 55.24 1dpb s LYS 524 Cb 0.13 -2.65 0.06 0.00 -0.52 0.00 0.00 37.83 34.84 1dpb s LYS 524 CO 0.39 0.45 0.81 -1.54 -0.92 0.00 0.00 175.35 174.55 1dpb s SER 525 N -3.42 5.05 0.14 2.83 1.04 -1.26 -4.84 113.70 113.24 1dpb s SER 525 Ca 0.32 -0.26 -0.17 0.00 0.48 0.00 0.00 55.95 56.32 1dpb s SER 525 Cb -0.09 -0.47 -0.00 0.00 0.10 0.00 0.00 66.02 65.55 1dpb s SER 525 CO 0.25 -1.32 1.78 -0.07 0.98 0.00 0.00 173.24 174.86 1dpb h LEU 526 N -0.01 0.27 -0.86 2.42 3.38 -1.98 0.13 115.31 118.65 1dpb h LEU 526 Ca -0.39 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 1dpb h LEU 526 Cb 1.29 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1dpb h LEU 526 CO 0.47 0.20 -0.50 -0.07 0.09 0.00 0.00 178.44 178.63 1dpb h LEU 527 N 0.36 0.00 0.24 1.67 3.38 -1.98 -0.78 115.31 118.20 1dpb h LEU 527 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1dpb h LEU 527 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1dpb h LEU 527 CO -0.07 0.50 -0.11 1.56 0.09 0.00 0.00 178.44 180.41 1dpb h GLN 528 N 0.00 -0.31 -0.99 1.13 4.20 -1.58 -1.48 115.11 116.09 1dpb h GLN 528 Ca -0.00 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.80 1dpb h GLN 528 Cb 0.99 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.77 1dpb h GLN 528 CO 0.06 -0.06 0.64 -0.07 -0.67 0.00 0.00 178.83 178.73 1dpb h LEU 529 N -0.52 1.00 -0.68 1.46 3.38 -0.75 -1.56 115.31 117.64 1dpb h LEU 529 Ca -0.03 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1dpb h LEU 529 Cb 0.39 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1dpb h LEU 529 CO 0.05 0.62 0.43 0.00 0.09 0.00 0.00 178.44 179.63 1dpb h ALA 530 N 1.48 0.88 -0.14 1.53 0.00 -0.88 -0.77 119.26 121.36 1dpb h ALA 530 Ca 0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1dpb h ALA 530 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1dpb h ALA 530 CO -0.18 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1dpb h ALA 531 N 1.28 0.19 -0.59 0.00 0.00 -0.34 -2.79 119.26 117.01 1dpb h ALA 531 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1dpb h ALA 531 Cb -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1dpb h ALA 531 CO -0.09 -0.12 0.38 1.49 0.00 0.00 0.00 179.25 180.91 1dpb h GLU 532 N -0.01 0.78 -0.15 0.00 4.81 -1.16 -1.22 114.58 117.63 1dpb h GLU 532 Ca 0.04 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1dpb h GLU 532 Cb 0.36 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1dpb h GLU 532 CO 0.01 0.53 0.06 0.00 -0.73 0.00 0.00 179.01 178.88 1dpb h ALA 533 N 1.21 0.17 -0.94 2.92 0.00 -1.17 -1.31 119.26 120.14 1dpb h ALA 533 Ca 0.21 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1dpb h ALA 533 Cb -0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1dpb h ALA 533 CO -0.05 -0.37 0.62 0.00 0.00 0.00 0.00 179.25 179.45 1dpb h ALA 534 N 1.08 1.20 0.03 0.00 0.00 -1.20 -0.32 119.26 120.05 1dpb h ALA 534 Ca 0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dpb h ALA 534 Cb 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1dpb h ALA 534 CO -0.05 0.57 -0.01 1.49 0.00 0.00 0.00 179.25 181.24 1dpb h GLU 535 N 1.25 -0.03 -0.67 0.00 4.81 -0.96 -2.08 114.58 116.90 1dpb h GLU 535 Ca 0.35 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1dpb h GLU 535 Cb -0.12 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1dpb h GLU 535 CO -0.08 0.27 0.30 -0.07 -0.73 0.00 0.00 179.01 178.69 1dpb h LEU 536 N -0.34 0.88 -0.19 1.64 3.38 -0.90 0.07 115.31 119.86 1dpb h LEU 536 Ca -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1dpb h LEU 536 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1dpb h LEU 536 CO 0.01 0.77 0.08 0.00 0.09 0.00 0.00 178.44 179.38 1dpb h ALA 537 N 1.37 0.24 0.64 1.53 0.00 -1.01 0.43 119.26 122.46 1dpb h ALA 537 Ca 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1dpb h ALA 537 Cb 0.14 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1dpb h ALA 537 CO -0.03 -0.17 -0.31 1.05 0.00 0.00 0.00 179.25 179.80 1dpb h GLU 538 N 0.15 -0.83 -0.83 0.00 9.09 -0.92 -0.86 114.58 120.39 1dpb h GLU 538 Ca 0.06 0.06 0.16 0.00 0.05 0.00 0.00 59.36 59.69 1dpb h GLU 538 Cb 0.17 0.19 -0.06 0.00 -1.65 0.00 0.00 28.75 27.40 1dpb h GLU 538 CO -0.01 -0.55 0.55 0.87 0.05 0.00 0.00 179.01 179.92 1dpb h LYS 539 N -0.86 0.46 -0.42 1.06 1.57 -0.90 0.32 116.57 117.80 1dpb h LYS 539 Ca -0.09 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1dpb h LYS 539 Cb 0.66 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1dpb h LYS 539 CO 0.14 0.31 0.09 0.00 -0.57 0.00 0.00 179.45 179.42 1dpb h ALA 540 N 1.62 0.55 0.00 3.86 0.00 -0.42 -0.43 119.26 124.45 1dpb h ALA 540 Ca 0.42 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1dpb h ALA 540 Cb 0.91 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1dpb h ALA 540 CO -0.16 0.24 -0.49 0.00 0.00 0.00 0.00 179.25 178.85 1dpb h ARG 541 N 0.54 0.00 -0.75 0.00 3.08 0.44 -3.03 114.38 114.66 1dpb h ARG 541 Ca 0.13 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 1dpb h ARG 541 Cb 0.33 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 1dpb h ARG 541 CO 0.00 0.49 0.11 0.43 -1.07 0.00 0.00 179.97 179.93 1dpb n SER 542 N -3.91 4.46 -0.74 7.04 7.64 -0.42 -4.92 113.62 122.77 1dpb n SER 542 Ca -0.01 -2.84 -0.07 0.00 1.01 0.00 0.00 58.87 56.96 1dpb n SER 542 Cb 0.51 -0.67 -0.03 0.00 -1.01 0.00 0.00 64.21 63.01 1dpb n SER 542 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1dpb n LYS 543 N 0.21 -1.59 -0.73 1.43 4.01 -1.04 -4.79 118.16 115.66 1dpb n LYS 543 Ca 0.27 0.52 0.07 0.00 -0.51 0.00 0.00 58.31 58.66 1dpb n LYS 543 Cb 1.09 -4.48 0.36 0.00 -0.51 0.00 0.00 35.03 31.48 1dpb n LYS 543 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1dpb n LYS 544 N -0.73 4.18 -3.16 1.97 5.02 -0.20 -4.87 118.16 120.37 1dpb n LYS 544 Ca -0.07 -2.79 -0.43 0.00 -2.02 0.00 0.00 58.31 53.01 1dpb n LYS 544 Cb 0.35 -2.07 -0.07 0.00 -0.02 0.00 0.00 35.03 33.21 1dpb n LYS 544 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1dpb s LEU 545 N -2.22 4.48 0.17 -0.35 2.96 -1.10 -4.88 118.68 117.75 1dpb s LEU 545 Ca 0.49 -0.26 -0.30 0.00 -0.22 0.00 0.00 54.13 53.84 1dpb s LEU 545 Cb 0.35 -2.67 -0.08 0.00 0.50 0.00 0.00 46.19 44.29 1dpb s LEU 545 CO 0.18 -0.68 1.22 -0.83 -1.32 0.00 0.00 176.35 174.92 1dpb s GLY 546 N 1.91 2.58 0.55 7.98 0.00 -1.26 -4.91 107.32 114.18 1dpb s GLY 546 Ca 0.21 0.97 0.48 0.00 0.00 0.00 0.00 44.72 46.38 1dpb s GLY 546 CO 0.17 1.93 1.52 0.00 0.00 0.00 0.00 173.10 176.71 1dpb n ALA 547 N 2.74 1.82 -0.19 3.20 0.00 -1.26 -0.67 120.51 126.16 1dpb n ALA 547 Ca 0.05 0.63 -0.03 0.00 0.00 0.00 0.00 53.44 54.09 1dpb n ALA 547 Cb 0.44 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 18.84 1dpb n ALA 547 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1dpb h ASP 548 N 0.00 -0.79 0.00 0.00 3.58 -1.99 -1.74 116.42 115.49 1dpb h ASP 548 Ca 0.90 0.20 0.00 0.00 0.42 0.00 0.00 57.03 58.55 1dpb h ASP 548 Cb 3.68 0.45 0.00 0.00 1.72 0.00 0.00 39.33 45.18 1dpb h ASP 548 CO -0.01 -0.25 0.00 0.00 -2.88 0.00 0.00 179.24 176.10 1dpb n ALA 549 N -3.07 2.21 -0.46 -0.78 0.00 0.16 -1.89 120.51 116.69 1dpb n ALA 549 Ca 0.06 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1dpb n ALA 549 Cb 0.34 -1.19 0.24 0.00 0.00 0.00 0.00 19.45 18.84 1dpb n ALA 549 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1dpb n MET 550 N -0.78 3.06 -4.39 0.00 2.81 -0.65 -0.63 117.12 116.54 1dpb n MET 550 Ca 0.09 -2.46 -0.26 0.00 -1.81 0.00 0.00 57.70 53.25 1dpb n MET 550 Cb 0.04 -1.55 -0.12 0.00 -0.71 0.00 0.00 33.22 30.88 1dpb n MET 550 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1dpb s GLN 551 N -1.54 1.41 -0.80 0.03 -0.21 -0.79 -4.81 119.66 112.94 1dpb s GLN 551 Ca 0.36 -1.43 -0.04 0.00 0.02 0.00 0.00 55.36 54.27 1dpb s GLN 551 Cb 0.22 -1.72 0.00 0.00 1.00 0.00 0.00 33.01 32.52 1dpb s GLN 551 CO 0.18 0.38 0.52 0.41 -2.12 0.00 0.00 175.29 174.66 1dpb n GLY 552 N 0.50 0.08 3.84 3.09 0.00 -1.26 -4.92 105.19 106.53 1dpb n GLY 552 Ca -0.15 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 1dpb n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dpb s ALA 553 N -3.05 3.12 -0.11 4.61 0.00 -1.26 -4.68 121.76 120.39 1dpb s ALA 553 Ca 0.26 0.16 0.20 0.00 0.00 0.00 0.00 51.96 52.58 1dpb s ALA 553 Cb -0.11 -3.05 -0.29 0.00 0.00 0.00 0.00 23.12 19.66 1dpb s ALA 553 CO 0.32 -0.11 0.31 0.00 0.00 0.00 0.00 175.76 176.28 1dpb s PHE 555 N -3.06 -0.55 0.02 0.00 5.36 -1.25 -4.51 117.98 113.99 1dpb s PHE 555 Ca -0.09 0.80 0.09 0.00 -0.96 0.00 0.00 56.93 56.77 1dpb s PHE 555 Cb 0.10 0.39 -0.03 0.00 -0.34 0.00 0.00 43.02 43.15 1dpb s PHE 555 CO 0.87 -0.64 -0.25 0.99 -1.46 0.00 0.00 175.22 174.73 1dpb s THR 556 N -1.86 2.05 -0.12 0.12 2.01 -1.25 -1.36 115.64 115.22 1dpb s THR 556 Ca -0.08 -1.27 -0.01 0.00 0.31 0.00 0.00 61.69 60.64 1dpb s THR 556 Cb -0.01 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 1dpb s THR 556 CO 0.04 0.42 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.68 1dpb s ILE 557 N -0.73 3.63 -0.25 1.82 1.01 -0.53 -1.35 121.20 124.79 1dpb s ILE 557 Ca 0.11 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1dpb s ILE 557 Cb -0.10 -2.54 0.06 0.00 0.01 0.00 0.00 42.46 39.89 1dpb s ILE 557 CO 0.01 0.53 -0.06 -0.55 0.00 0.00 0.00 174.94 174.87 1dpb s SER 558 N 0.02 4.11 -0.25 3.58 0.15 0.25 -1.71 113.70 119.84 1dpb s SER 558 Ca -0.01 -1.32 -0.07 0.00 0.70 0.00 0.00 55.95 55.24 1dpb s SER 558 Cb -0.14 -1.32 -0.03 0.00 -1.71 0.00 0.00 66.02 62.82 1dpb s SER 558 CO 0.03 -0.23 0.07 -0.55 1.20 0.00 0.00 173.24 173.76 1dpb s SER 559 N 1.27 5.13 0.00 5.45 0.15 -1.26 -1.18 113.70 123.26 1dpb s SER 559 Ca -0.05 -0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.39 1dpb s SER 559 Cb -0.19 -1.92 0.11 0.00 -1.71 0.00 0.00 66.02 62.31 1dpb s SER 559 CO -0.06 -0.05 1.08 0.18 1.20 0.00 0.00 173.24 175.59 1dpb n LEU 560 N 4.92 2.32 -0.06 3.45 4.77 0.25 -4.70 117.00 127.96 1dpb n LEU 560 Ca -0.16 -1.98 0.19 0.00 -0.03 0.00 0.00 56.01 54.03 1dpb n LEU 560 Cb 0.51 -0.08 0.63 0.00 -2.33 0.00 0.00 43.42 42.15 1dpb n LEU 560 CO 0.31 0.58 1.19 1.23 -1.33 0.00 0.00 177.39 179.37 1dpb h GLY 561 N 0.75 0.22 1.94 -0.72 0.00 -1.64 0.60 103.07 104.22 1dpb h GLY 561 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1dpb h GLY 561 CO 0.00 0.02 0.00 -2.39 0.00 0.00 0.00 176.54 174.17 1dpb n HIS 562 N -4.41 0.00 -0.06 5.60 1.44 -1.26 -3.76 115.22 112.77 1dpb n HIS 562 Ca 0.11 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.70 1dpb n HIS 562 Cb 0.59 -0.47 -0.04 0.00 0.12 0.00 0.00 29.99 30.18 1dpb n HIS 562 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1dpb n ILE 563 N -1.47 0.64 -2.44 0.61 5.41 0.14 -5.15 119.36 117.10 1dpb n ILE 563 Ca 0.04 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.62 1dpb n ILE 563 Cb 0.17 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 1dpb n ILE 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dpb n GLY 564 N 2.36 -0.32 0.00 7.39 0.00 -0.84 -5.06 105.19 108.72 1dpb n GLY 564 Ca -0.23 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1dpb n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dpb n GLY 565 N 0.00 1.99 0.10 -0.02 0.00 -1.26 -4.22 105.19 101.78 1dpb n GLY 565 Ca 0.00 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1dpb n GLY 565 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1dpb n THR 566 N 1.85 1.52 0.00 2.61 -1.04 -1.26 -2.50 114.28 115.46 1dpb n THR 566 Ca 0.00 -0.77 0.00 0.00 -2.04 0.00 0.00 64.05 61.24 1dpb n THR 566 Cb 0.00 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 1dpb n THR 566 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dpb n ALA 567 N -2.79 0.00 -3.12 2.41 0.00 -1.26 -4.77 120.51 110.98 1dpb n ALA 567 Ca -0.30 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.03 1dpb n ALA 567 Cb 1.09 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.50 1dpb n ALA 567 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1dpb s PHE 568 N -2.00 0.64 -0.77 0.00 -0.71 -1.26 -5.06 117.98 108.81 1dpb s PHE 568 Ca 0.00 -0.98 0.00 0.00 -1.04 0.00 0.00 56.93 54.91 1dpb s PHE 568 Cb 0.00 0.14 0.19 0.00 -1.21 0.00 0.00 43.02 42.14 1dpb s PHE 568 CO 0.00 -1.12 0.60 0.95 -1.34 0.00 0.00 175.22 174.32 1dpb s THR 569 N -3.41 3.73 0.78 -4.49 -4.23 -1.26 -4.81 115.64 101.95 1dpb s THR 569 Ca 0.25 -3.76 -0.13 0.00 -1.18 0.00 0.00 61.69 56.87 1dpb s THR 569 Cb -0.01 -3.38 0.07 0.00 1.34 0.00 0.00 72.50 70.52 1dpb s THR 569 CO 0.14 -1.01 1.19 -2.16 -0.54 0.00 0.00 174.62 172.25 1dpb s PRO 570 N -1.05 1.82 -0.14 3.99 0.04 -1.26 -5.01 135.00 133.39 1dpb s PRO 570 Ca 0.24 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 1dpb s PRO 570 Cb -0.10 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1dpb s PRO 570 CO -0.11 -2.06 0.33 0.42 0.04 0.00 0.00 177.00 175.62 1dpb s ILE 571 N -2.18 5.27 0.16 0.56 1.01 -1.26 -4.66 121.20 120.09 1dpb s ILE 571 Ca 0.72 0.64 -0.31 0.00 0.00 0.00 0.00 60.65 61.69 1dpb s ILE 571 Cb -0.27 -3.67 -0.11 0.00 0.01 0.00 0.00 42.46 38.42 1dpb s ILE 571 CO 0.49 0.39 1.78 -0.69 0.00 0.00 0.00 174.94 176.91 1dpb s VAL 572 N 0.39 2.35 -1.12 2.92 1.01 -1.26 -4.91 120.40 119.77 1dpb s VAL 572 Ca 0.19 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 1dpb s VAL 572 Cb -0.14 -3.04 0.09 0.00 0.00 0.00 0.00 36.38 33.30 1dpb s VAL 572 CO 0.06 0.00 1.49 0.20 0.00 0.00 0.00 175.10 176.85 1dpb s ASN 573 N 2.07 6.71 0.36 3.32 0.01 -1.26 -4.81 114.94 121.34 1dpb s ASN 573 Ca 0.78 -2.10 -0.28 0.00 -0.71 0.00 0.00 52.86 50.55 1dpb s ASN 573 Cb -0.47 -2.52 -0.12 0.00 0.41 0.00 0.00 41.25 38.55 1dpb s ASN 573 CO 0.34 -1.22 1.43 0.00 -1.51 0.00 0.00 177.10 176.15 1dpb n ALA 574 N 7.87 2.02 1.04 0.60 0.00 -1.26 -1.62 120.51 129.17 1dpb n ALA 574 Ca 0.37 0.35 0.06 0.00 0.00 0.00 0.00 53.44 54.22 1dpb n ALA 574 Cb 0.48 -2.37 0.17 0.00 0.00 0.00 0.00 19.45 17.73 1dpb n ALA 574 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1dpb n PRO 575 N 0.64 1.72 -1.12 0.00 -0.04 -1.26 -4.98 135.00 129.95 1dpb n PRO 575 Ca 0.03 -1.11 -0.29 0.00 -0.04 0.00 0.00 63.50 62.09 1dpb n PRO 575 Cb 0.38 -1.26 0.17 0.00 -0.04 0.00 0.00 33.50 32.75 1dpb n PRO 575 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1dpb s GLU 576 N -1.61 0.52 0.00 0.54 2.02 -0.64 -4.44 118.70 115.09 1dpb s GLU 576 Ca 0.22 0.62 0.02 0.00 0.02 0.00 0.00 54.97 55.86 1dpb s GLU 576 Cb 0.12 -1.74 0.01 0.00 0.10 0.00 0.00 34.13 32.62 1dpb s GLU 576 CO 0.16 -2.70 0.49 1.55 0.02 0.00 0.00 175.26 174.78 1dpb n VAL 577 N -4.17 0.00 -3.42 2.63 3.14 -1.26 -4.71 118.33 110.54 1dpb n VAL 577 Ca 0.05 -0.49 -0.12 0.00 -2.96 0.00 0.00 64.34 60.82 1dpb n VAL 577 Cb 0.56 1.04 -0.02 0.00 -1.06 0.00 0.00 33.84 34.36 1dpb n VAL 577 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1dpb s ALA 578 N -0.37 -1.61 -0.10 1.55 0.00 -1.26 -1.06 121.76 118.90 1dpb s ALA 578 Ca 0.02 0.52 -0.09 0.00 0.00 0.00 0.00 51.96 52.41 1dpb s ALA 578 Cb 0.02 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.02 1dpb s ALA 578 CO 0.04 -0.76 0.27 -1.50 0.00 0.00 0.00 175.76 173.81 1dpb s ILE 579 N -3.68 -0.00 -0.31 0.00 2.07 -0.82 -3.76 121.20 114.69 1dpb s ILE 579 Ca 0.01 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.17 1dpb s ILE 579 Cb -0.01 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 42.20 1dpb s ILE 579 CO -0.12 0.00 0.12 -0.22 -1.91 0.00 0.00 174.94 172.81 1dpb s LEU 580 N 0.16 4.02 0.04 8.50 0.20 -0.46 -1.88 118.68 129.27 1dpb s LEU 580 Ca -0.00 -0.65 -0.20 0.00 0.69 0.00 0.00 54.13 53.96 1dpb s LEU 580 Cb -0.02 -1.94 -0.06 0.00 -0.43 0.00 0.00 46.19 43.74 1dpb s LEU 580 CO 0.00 -0.21 0.60 -0.83 -0.29 0.00 0.00 176.35 175.63 1dpb s GLY 581 N 1.55 2.67 -0.10 7.98 0.00 0.13 -0.59 107.32 118.97 1dpb s GLY 581 Ca 0.03 0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.84 1dpb s GLY 581 CO 0.04 0.64 -0.16 0.14 0.00 0.00 0.00 173.10 173.76 1dpb s VAL 582 N -0.66 1.52 0.00 1.40 1.01 -0.32 -0.52 120.40 122.83 1dpb s VAL 582 Ca 0.31 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1dpb s VAL 582 Cb -0.19 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1dpb s VAL 582 CO 0.19 0.44 0.00 -1.20 0.00 0.00 0.00 175.10 174.53 1dpb n SER 583 N 4.00 0.96 -4.74 3.32 7.64 -0.83 -0.58 113.62 123.39 1dpb n SER 583 Ca -0.20 -0.70 -0.41 0.00 1.01 0.00 0.00 58.87 58.57 1dpb n SER 583 Cb 0.52 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 1dpb n SER 583 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1dpb s LYS 584 N -0.77 4.47 0.22 1.43 2.20 -1.04 -4.10 119.74 122.15 1dpb s LYS 584 Ca 0.00 1.89 -0.26 0.00 -0.36 0.00 0.00 55.97 57.24 1dpb s LYS 584 Cb 0.00 -3.24 -0.09 0.00 -1.51 0.00 0.00 37.83 32.99 1dpb s LYS 584 CO 0.00 -0.12 0.84 0.00 -0.36 0.00 0.00 175.35 175.71 1dpb s ALA 585 N 0.06 3.37 0.07 3.13 0.00 -1.26 -4.35 121.76 122.78 1dpb s ALA 585 Ca 0.54 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.87 1dpb s ALA 585 Cb -0.33 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1dpb s ALA 585 CO 0.36 0.25 0.11 -1.54 0.00 0.00 0.00 175.76 174.95 1dpb s SER 586 N -1.32 0.24 -0.00 0.00 1.04 -0.94 -4.93 113.70 107.79 1dpb s SER 586 Ca 0.41 -0.75 -0.30 0.00 0.48 0.00 0.00 55.95 55.79 1dpb s SER 586 Cb -0.22 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 1dpb s SER 586 CO 0.27 -0.66 1.21 -0.32 0.98 0.00 0.00 173.24 174.71 1dpb s MET 587 N -3.74 4.38 0.10 4.02 1.75 -1.26 -1.05 119.30 123.50 1dpb s MET 587 Ca 0.04 1.73 0.06 0.00 -1.25 0.00 0.00 55.69 56.27 1dpb s MET 587 Cb 0.05 -3.47 -0.03 0.00 2.84 0.00 0.00 34.83 34.22 1dpb s MET 587 CO -0.10 -0.37 -0.15 -0.65 -0.65 0.00 0.00 175.02 173.10 1dpb s GLN 588 N 1.74 0.93 -0.10 4.11 -1.52 -0.29 -4.94 119.66 119.60 1dpb s GLN 588 Ca 0.58 -1.10 -0.26 0.00 -1.95 0.00 0.00 55.36 52.63 1dpb s GLN 588 Cb -0.27 -0.91 -0.02 0.00 -0.22 0.00 0.00 33.01 31.59 1dpb s GLN 588 CO 0.25 0.19 0.83 -1.25 -0.25 0.00 0.00 175.29 175.07 1dpb s PRO 589 N -2.17 4.40 -0.06 2.91 0.04 -1.26 -1.04 135.00 137.82 1dpb s PRO 589 Ca 0.04 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.18 1dpb s PRO 589 Cb -0.08 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1dpb s PRO 589 CO 0.03 -0.16 -0.16 0.08 0.04 0.00 0.00 177.00 176.83 1dpb s VAL 590 N 1.53 1.41 -0.06 -0.36 1.01 0.21 -4.89 120.40 119.25 1dpb s VAL 590 Ca 0.41 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 1dpb s VAL 590 Cb -0.18 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1dpb s VAL 590 CO 0.17 0.41 1.28 0.86 0.00 0.00 0.00 175.10 177.82 1dpb s TRP 591 N 0.38 3.00 -0.39 5.22 -0.11 -1.26 -0.41 118.94 125.37 1dpb s TRP 591 Ca -0.12 1.04 0.07 0.00 1.22 0.00 0.00 56.10 58.31 1dpb s TRP 591 Cb -0.15 -3.51 0.54 0.00 -1.50 0.00 0.00 33.47 28.85 1dpb s TRP 591 CO 0.04 -1.75 1.52 -0.40 -4.62 0.00 0.00 176.95 171.74 1dpb n ASP 592 N 5.60 4.00 0.00 5.86 5.68 0.54 -4.85 116.55 133.38 1dpb n ASP 592 Ca 0.12 -2.90 0.00 0.00 -0.50 0.00 0.00 54.79 51.51 1dpb n ASP 592 Cb 0.45 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1dpb n ASP 592 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dpb n GLY 593 N -0.09 3.07 0.00 6.12 0.00 -1.26 -4.62 105.19 108.40 1dpb n GLY 593 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1dpb n GLY 593 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dpb n LYS 594 N -2.00 0.23 -4.03 1.61 3.00 -1.26 -5.14 118.16 110.57 1dpb n LYS 594 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 1dpb n LYS 594 Cb 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 35.03 34.42 1dpb n LYS 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1dpb s ALA 595 N -1.12 0.22 -0.20 3.14 0.00 -1.26 -5.13 121.76 117.40 1dpb s ALA 595 Ca 0.00 -1.18 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 1dpb s ALA 595 Cb 0.00 1.09 -0.04 0.00 0.00 0.00 0.00 23.12 24.17 1dpb s ALA 595 CO 0.00 -0.82 0.40 -0.06 0.00 0.00 0.00 175.76 175.27 1dpb s PHE 596 N -3.48 3.37 -0.05 0.00 0.08 -1.26 -0.34 117.98 116.30 1dpb s PHE 596 Ca 0.26 0.61 -0.02 0.00 0.12 0.00 0.00 56.93 57.90 1dpb s PHE 596 Cb -0.00 -2.53 -0.04 0.00 -0.57 0.00 0.00 43.02 39.88 1dpb s PHE 596 CO 0.14 -0.01 0.08 -0.65 -0.10 0.00 0.00 175.22 174.68 1dpb s GLN 597 N 1.33 3.15 -0.26 0.44 1.11 0.45 -4.82 119.66 121.05 1dpb s GLN 597 Ca 0.19 -0.38 -0.29 0.00 0.01 0.00 0.00 55.36 54.89 1dpb s GLN 597 Cb -0.15 -2.93 0.00 0.00 -1.01 0.00 0.00 33.01 28.93 1dpb s GLN 597 CO 0.08 0.69 1.18 -1.25 0.01 0.00 0.00 175.29 176.00 1dpb s PRO 598 N -1.38 4.10 0.09 2.91 0.04 -1.26 -0.62 135.00 138.88 1dpb s PRO 598 Ca 0.19 1.31 0.10 0.00 0.04 0.00 0.00 61.00 62.64 1dpb s PRO 598 Cb -0.12 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.62 1dpb s PRO 598 CO 0.09 -0.87 -0.26 1.03 0.04 0.00 0.00 177.00 177.03 1dpb s ARG 599 N 3.68 1.62 -0.25 4.56 1.81 -0.21 -4.90 118.95 125.27 1dpb s ARG 599 Ca 0.50 -1.22 -0.27 0.00 -1.72 0.00 0.00 55.73 53.02 1dpb s ARG 599 Cb -0.16 -1.96 0.00 0.00 -0.45 0.00 0.00 34.95 32.38 1dpb s ARG 599 CO 0.16 0.48 0.95 -1.17 -0.68 0.00 0.00 175.30 175.04 1dpb s LEU 600 N -1.67 4.08 -0.16 2.53 2.96 -1.26 -1.13 118.68 124.02 1dpb s LEU 600 Ca 0.13 1.19 -0.03 0.00 -0.22 0.00 0.00 54.13 55.20 1dpb s LEU 600 Cb -0.10 -3.39 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 1dpb s LEU 600 CO 0.04 -0.63 -0.06 -0.04 -1.32 0.00 0.00 176.35 174.35 1dpb s MET 601 N 3.10 3.58 -0.28 1.98 -1.94 -0.22 -0.77 119.30 124.75 1dpb s MET 601 Ca 0.40 -0.56 -0.09 0.00 -1.71 0.00 0.00 55.69 53.73 1dpb s MET 601 Cb -0.15 -2.87 -0.03 0.00 2.01 0.00 0.00 34.83 33.80 1dpb s MET 601 CO 0.08 0.19 0.13 -1.17 -0.01 0.00 0.00 175.02 174.24 1dpb s LEU 602 N 0.47 3.84 -0.08 -0.03 2.96 0.29 -2.21 118.68 123.92 1dpb s LEU 602 Ca -0.05 -0.26 -0.30 0.00 -0.22 0.00 0.00 54.13 53.31 1dpb s LEU 602 Cb -0.15 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1dpb s LEU 602 CO 0.03 -0.09 1.30 -2.84 -1.32 0.00 0.00 176.35 173.43 1dpb s PRO 603 N 1.66 4.29 -0.04 0.98 0.02 -1.26 -1.11 135.00 139.54 1dpb s PRO 603 Ca 0.06 1.77 0.02 0.00 0.02 0.00 0.00 61.00 62.88 1dpb s PRO 603 Cb -0.16 -3.65 -0.03 0.00 0.02 0.00 0.00 34.50 30.68 1dpb s PRO 603 CO 0.07 -0.58 -0.09 -0.51 -0.33 0.00 0.00 177.00 175.55 1dpb s LEU 604 N 2.77 3.04 -0.27 -5.54 1.43 -0.37 -1.96 118.68 117.78 1dpb s LEU 604 Ca 0.59 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1dpb s LEU 604 Cb -0.26 -1.69 0.09 0.00 0.03 0.00 0.00 46.19 44.36 1dpb s LEU 604 CO 0.21 0.33 0.11 -0.44 0.23 0.00 0.00 176.35 176.79 1dpb s SER 605 N -1.01 3.41 -0.51 2.29 0.01 0.32 -2.21 113.70 116.00 1dpb s SER 605 Ca 0.14 -1.22 -0.19 0.00 1.31 0.00 0.00 55.95 55.99 1dpb s SER 605 Cb -0.11 -0.46 0.07 0.00 0.21 0.00 0.00 66.02 65.73 1dpb s SER 605 CO 0.03 -0.41 0.60 -0.22 0.41 0.00 0.00 173.24 173.66 1dpb s LEU 606 N 1.99 5.12 0.19 2.44 2.96 0.34 0.22 118.68 131.94 1dpb s LEU 606 Ca 0.07 -1.04 -0.22 0.00 -0.22 0.00 0.00 54.13 52.73 1dpb s LEU 606 Cb -0.16 -2.39 -0.08 0.00 0.50 0.00 0.00 46.19 44.05 1dpb s LEU 606 CO -0.28 -0.89 0.73 -0.44 -1.32 0.00 0.00 176.35 174.15 1dpb s SER 607 N 2.81 7.17 0.14 3.68 0.01 -0.79 -0.32 113.70 126.40 1dpb s SER 607 Ca 0.13 1.48 -0.07 0.00 1.31 0.00 0.00 55.95 58.81 1dpb s SER 607 Cb -0.21 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 1dpb s SER 607 CO 0.10 0.12 0.20 -0.72 0.41 0.00 0.00 173.24 173.35 1dpb s TYR 608 N -1.36 0.47 -0.63 2.43 1.13 -0.37 -1.95 117.35 117.08 1dpb s TYR 608 Ca 0.39 -0.86 -0.23 0.00 -1.41 0.00 0.00 57.07 54.97 1dpb s TYR 608 Cb -0.19 -0.17 0.06 0.00 -1.10 0.00 0.00 41.96 40.56 1dpb s TYR 608 CO 0.22 -0.62 0.95 0.34 -2.51 0.00 0.00 175.55 173.93 1dpb s ASP 609 N -2.96 6.21 0.00 -0.18 -1.08 -0.23 -2.72 116.67 115.71 1dpb s ASP 609 Ca 0.16 -0.83 0.19 0.00 -0.52 0.00 0.00 52.55 51.55 1dpb s ASP 609 Cb 0.05 -2.42 1.09 0.00 -1.46 0.00 0.00 42.92 40.18 1dpb s ASP 609 CO -0.02 -1.37 1.54 0.00 0.52 0.00 0.00 175.17 175.84 1dpb h ARG 611 N 0.00 0.27 0.00 0.00 3.08 -1.92 -3.35 114.38 112.46 1dpb h ARG 611 Ca 0.00 -0.10 -0.34 0.00 0.07 0.00 0.00 59.98 59.61 1dpb h ARG 611 Cb 0.04 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 1dpb h ARG 611 CO 0.00 0.55 -2.26 0.28 -1.07 0.00 0.00 179.97 177.46 1dpb n VAL 612 N -4.12 1.26 -4.03 2.04 0.31 -0.62 -4.95 118.33 108.21 1dpb n VAL 612 Ca -0.01 -0.44 -0.34 0.00 -0.01 0.00 0.00 64.34 63.53 1dpb n VAL 612 Cb 0.40 -1.41 -0.15 0.00 -0.91 0.00 0.00 33.84 31.77 1dpb n VAL 612 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1dpb s ILE 613 N -2.44 2.91 0.53 2.52 1.01 -0.53 -5.07 121.20 120.13 1dpb s ILE 613 Ca -0.30 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 1dpb s ILE 613 Cb 0.09 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 1dpb s ILE 613 CO 0.48 0.47 0.84 0.54 0.00 0.00 0.00 174.94 177.27 1dpb s ASN 614 N 1.35 6.04 0.24 3.58 4.22 -1.26 -4.01 114.94 125.10 1dpb s ASN 614 Ca 0.04 0.89 -0.09 0.00 -2.14 0.00 0.00 52.86 51.56 1dpb s ASN 614 Cb -0.14 -2.08 0.39 0.00 1.28 0.00 0.00 41.25 40.70 1dpb s ASN 614 CO -0.06 -0.76 1.61 1.23 -2.04 0.00 0.00 177.10 177.09 1dpb h GLY 615 N 0.06 0.71 1.22 0.45 0.00 -1.99 -0.70 103.07 102.82 1dpb h GLY 615 Ca -0.46 0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1dpb h GLY 615 CO 0.61 -0.31 0.14 0.00 0.00 0.00 0.00 176.54 176.99 1dpb h ALA 616 N 1.76 1.09 -0.40 3.60 0.00 -2.00 -1.79 119.26 121.52 1dpb h ALA 616 Ca 0.40 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1dpb h ALA 616 Cb 0.67 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1dpb h ALA 616 CO -0.75 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.11 1dpb h ALA 617 N 1.22 1.26 -0.04 0.00 0.00 -1.52 -2.24 119.26 117.94 1dpb h ALA 617 Ca 0.20 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1dpb h ALA 617 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dpb h ALA 617 CO 0.00 0.50 -0.70 0.00 0.00 0.00 0.00 179.25 179.04 1dpb h ALA 618 N 1.41 0.74 -0.14 0.00 0.00 -1.15 -1.16 119.26 118.95 1dpb h ALA 618 Ca 0.13 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1dpb h ALA 618 Cb 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1dpb h ALA 618 CO 0.01 0.80 -0.57 0.00 0.00 0.00 0.00 179.25 179.50 1dpb h ALA 619 N 1.12 0.77 -0.38 0.00 0.00 -0.97 -2.37 119.26 117.44 1dpb h ALA 619 Ca -0.02 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 1dpb h ALA 619 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1dpb h ALA 619 CO 0.11 0.70 -0.19 -0.09 0.00 0.00 0.00 179.25 179.77 1dpb h ARG 620 N 0.32 0.80 -0.11 0.00 2.43 -1.39 -1.00 114.38 115.43 1dpb h ARG 620 Ca 0.00 -0.35 -0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1dpb h ARG 620 Cb 1.09 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1dpb h ARG 620 CO 0.10 0.98 0.06 0.35 -1.51 0.00 0.00 179.97 179.95 1dpb h PHE 621 N 0.60 0.14 0.00 2.20 3.04 -0.99 -0.60 116.94 121.33 1dpb h PHE 621 Ca 0.08 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.94 1dpb h PHE 621 Cb 0.75 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.20 1dpb h PHE 621 CO 0.06 0.15 -0.44 1.79 -2.02 0.00 0.00 178.31 177.85 1dpb h THR 622 N 0.10 1.06 -0.14 4.41 1.35 -1.36 -1.11 112.91 117.23 1dpb h THR 622 Ca 0.04 -1.64 -0.03 0.00 -0.55 0.00 0.00 66.41 64.23 1dpb h THR 622 Cb 0.05 1.95 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1dpb h THR 622 CO -0.01 0.43 -0.02 0.50 -0.25 0.00 0.00 175.52 176.17 1dpb h LYS 623 N 0.00 0.26 -0.48 4.72 3.11 -1.01 -0.25 116.57 122.91 1dpb h LYS 623 Ca -0.00 -0.09 -0.00 0.00 -2.81 0.00 0.00 60.65 57.75 1dpb h LYS 623 Cb 0.92 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.10 1dpb h LYS 623 CO 0.06 0.52 0.30 0.00 -2.81 0.00 0.00 179.45 177.51 1dpb h ARG 624 N -0.03 0.65 -0.58 1.90 2.47 -0.86 -1.13 114.38 116.80 1dpb h ARG 624 Ca 0.04 -0.05 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1dpb h ARG 624 Cb 0.41 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 1dpb h ARG 624 CO 0.01 0.46 0.37 1.25 0.56 0.00 0.00 179.97 182.62 1dpb h LEU 625 N 0.65 0.62 -1.11 3.04 5.85 -1.08 0.72 115.31 124.00 1dpb h LEU 625 Ca 0.17 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1dpb h LEU 625 Cb -0.02 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1dpb h LEU 625 CO -0.03 0.44 0.44 1.23 -0.34 0.00 0.00 178.44 180.18 1dpb h GLY 626 N 0.74 1.12 1.04 3.75 0.00 -0.77 -0.77 103.07 108.19 1dpb h GLY 626 Ca 0.22 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1dpb h GLY 626 CO -0.07 0.46 0.12 -0.55 0.00 0.00 0.00 176.54 176.50 1dpb h ASP 627 N 1.06 0.98 -0.19 0.19 3.32 0.12 -1.88 116.42 120.03 1dpb h ASP 627 Ca 0.27 -0.25 -0.19 0.00 0.02 0.00 0.00 57.03 56.88 1dpb h ASP 627 Cb -0.01 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1dpb h ASP 627 CO -0.05 0.99 -0.62 -0.07 -1.72 0.00 0.00 179.24 177.77 1dpb h LEU 628 N 0.94 0.91 -0.81 1.55 3.38 -0.17 -2.85 115.31 118.26 1dpb h LEU 628 Ca 0.19 -0.52 -0.13 0.00 0.09 0.00 0.00 57.88 57.51 1dpb h LEU 628 Cb 0.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1dpb h LEU 628 CO 0.01 1.31 -0.58 -0.07 0.09 0.00 0.00 178.44 179.20 1dpb h LEU 629 N 0.59 0.07 -1.25 1.67 3.38 -1.14 -2.06 115.31 116.56 1dpb h LEU 629 Ca -0.01 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1dpb h LEU 629 Cb 1.23 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1dpb h LEU 629 CO 0.13 0.63 -0.16 0.00 0.09 0.00 0.00 178.44 179.13 1dpb h ALA 630 N 1.37 1.38 -2.46 1.53 0.00 -1.26 -3.39 119.26 116.43 1dpb h ALA 630 Ca -0.01 -0.25 -0.52 0.00 0.00 0.00 0.00 54.91 54.14 1dpb h ALA 630 Cb 1.04 -0.10 -0.37 0.00 0.00 0.00 0.00 17.79 18.35 1dpb h ALA 630 CO 0.08 0.42 -0.80 0.34 0.00 0.00 0.00 179.25 179.30 1dpb s ASP 631 N -6.85 2.61 0.08 0.00 -1.08 -1.08 -4.75 116.67 105.60 1dpb s ASP 631 Ca -0.06 -1.87 0.12 0.00 -0.52 0.00 0.00 52.55 50.23 1dpb s ASP 631 Cb 0.15 -0.15 0.55 0.00 -1.46 0.00 0.00 42.92 42.01 1dpb s ASP 631 CO 0.75 -0.32 1.38 0.00 0.52 0.00 0.00 175.17 177.50 1dpb n ILE 632 N 4.32 1.29 0.30 4.11 0.13 -0.80 -1.12 119.36 127.60 1dpb n ILE 632 Ca 0.09 0.38 0.16 0.00 -1.10 0.00 0.00 62.75 62.27 1dpb n ILE 632 Cb 0.40 -1.27 0.71 0.00 -0.84 0.00 0.00 39.64 38.64 1dpb n ILE 632 CO 0.00 0.00 0.00 0.03 2.80 0.00 0.00 176.55 179.38 1dpb h ARG 633 N 0.00 0.00 0.00 9.51 3.08 -1.95 -2.16 114.38 122.86 1dpb h ARG 633 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dpb h ARG 633 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1dpb h ARG 633 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1dpb h ALA 634 N 2.08 1.00 0.00 0.04 0.00 -1.44 -1.15 119.26 119.79 1dpb h ALA 634 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1dpb h ALA 634 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1dpb h ALA 634 CO 0.00 0.00 -0.20 0.82 0.00 0.00 0.00 179.25 179.87 1dpb h ILE 635 N 0.00 0.66 0.00 0.00 2.04 -1.63 -2.87 117.51 115.72 1dpb h ILE 635 Ca 0.00 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1dpb h ILE 635 Cb 0.28 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1dpb h ILE 635 CO 0.00 0.20 0.00 -0.07 0.00 0.00 0.00 178.15 178.28 1dpb h LEU 636 N 0.00 0.00 -1.82 1.44 4.07 -1.39 -3.52 115.31 114.09 1dpb h LEU 636 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1dpb h LEU 636 Cb 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1dpb h LEU 636 CO 0.03 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.39