#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qoh s ASP 403 N 0.00 6.47 0.21 0.00 1.11 -1.26 -1.45 116.67 121.75 1qoh s ASP 403 Ca 0.00 -1.42 -0.06 0.00 0.18 0.00 0.00 52.55 51.25 1qoh s ASP 403 Cb 0.00 -2.54 0.16 0.00 1.07 0.00 0.00 42.92 41.61 1qoh s ASP 403 CO 0.00 -1.47 1.68 0.00 1.18 0.00 0.00 175.17 176.55 1qoh s ALA 405 N -4.96 -1.69 -0.13 0.00 0.00 -1.21 -4.99 121.76 108.78 1qoh s ALA 405 Ca -0.11 0.91 -0.07 0.00 0.00 0.00 0.00 51.96 52.70 1qoh s ALA 405 Cb 0.14 0.43 0.05 0.00 0.00 0.00 0.00 23.12 23.74 1qoh s ALA 405 CO 0.84 -0.57 0.31 0.21 0.00 0.00 0.00 175.76 176.55 1qoh s LYS 406 N -2.49 0.27 0.00 0.00 2.20 -1.26 -1.20 119.74 117.26 1qoh s LYS 406 Ca -0.05 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1qoh s LYS 406 Cb -0.01 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1qoh s LYS 406 CO -0.02 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1qoh n GLY 407 N 4.34 -0.93 3.85 5.54 0.00 -0.85 -4.70 105.19 112.43 1qoh n GLY 407 Ca -0.23 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 1qoh n GLY 407 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qoh s LYS 408 N -2.00 3.81 -0.25 1.61 -0.14 -1.26 -1.28 119.74 120.23 1qoh s LYS 408 Ca 0.00 0.91 -0.26 0.00 -1.36 0.00 0.00 55.97 55.26 1qoh s LYS 408 Cb 0.00 -2.11 0.00 0.00 -1.68 0.00 0.00 37.83 34.04 1qoh s LYS 408 CO 0.00 -0.39 0.89 0.42 -0.76 0.00 0.00 175.35 175.51 1qoh s ILE 409 N -2.77 4.77 0.01 2.17 1.01 -1.26 -4.46 121.20 120.66 1qoh s ILE 409 Ca 0.58 1.66 -0.23 0.00 0.00 0.00 0.00 60.65 62.66 1qoh s ILE 409 Cb -0.11 -4.19 -0.17 0.00 0.01 0.00 0.00 42.46 38.00 1qoh s ILE 409 CO 0.38 -0.14 1.28 -0.08 0.00 0.00 0.00 174.94 176.38 1qoh h GLU 410 N 7.69 0.20 -2.80 2.79 4.81 -1.25 -3.47 114.58 122.55 1qoh h GLU 410 Ca -0.22 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1qoh h GLU 410 Cb 1.08 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.35 1qoh h GLU 410 CO 0.91 0.66 0.29 -0.59 -0.73 0.00 0.00 179.01 179.56 1qoh s PHE 411 N -4.17 -0.46 0.15 0.92 -0.12 -1.26 -4.99 117.98 108.06 1qoh s PHE 411 Ca -0.15 0.25 0.05 0.00 -0.05 0.00 0.00 56.93 57.04 1qoh s PHE 411 Cb 0.03 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 1qoh s PHE 411 CO 0.72 -0.79 -0.12 -1.54 -0.05 0.00 0.00 175.22 173.44 1qoh s SER 412 N -2.69 1.96 -0.14 1.98 1.04 -1.26 -1.44 113.70 113.14 1qoh s SER 412 Ca 0.03 -0.96 -0.07 0.00 0.48 0.00 0.00 55.95 55.43 1qoh s SER 412 Cb -0.01 -0.05 0.06 0.00 0.10 0.00 0.00 66.02 66.12 1qoh s SER 412 CO -0.10 -0.26 0.34 -0.75 0.98 0.00 0.00 173.24 173.45 1qoh s LYS 413 N -3.45 0.30 -0.17 4.02 2.20 0.18 -4.98 119.74 117.85 1qoh s LYS 413 Ca 0.15 0.71 -0.20 0.00 -0.36 0.00 0.00 55.97 56.27 1qoh s LYS 413 Cb 0.00 -0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.25 1qoh s LYS 413 CO 0.02 -0.18 0.58 -0.47 -0.36 0.00 0.00 175.35 174.95 1qoh s TYR 414 N 1.50 3.43 0.35 4.03 6.14 -1.26 -0.32 117.35 131.22 1qoh s TYR 414 Ca -0.08 0.92 0.03 0.00 0.64 0.00 0.00 57.07 58.58 1qoh s TYR 414 Cb -0.10 -2.72 -0.02 0.00 0.42 0.00 0.00 41.96 39.55 1qoh s TYR 414 CO -0.11 -0.06 0.53 -0.80 0.64 0.00 0.00 175.55 175.75 1qoh s ASN 415 N 1.03 6.08 0.52 4.32 0.01 -0.07 -4.99 114.94 121.84 1qoh s ASN 415 Ca 0.28 0.17 0.26 0.00 -0.71 0.00 0.00 52.86 52.86 1qoh s ASN 415 Cb -0.16 -1.65 1.46 0.00 0.41 0.00 0.00 41.25 41.31 1qoh s ASN 415 CO 0.11 -0.40 2.10 -0.08 -1.51 0.00 0.00 177.10 177.31 1qoh h GLU 416 N 0.76 0.00 -0.45 -0.60 4.81 -1.97 -1.05 114.58 116.09 1qoh h GLU 416 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1qoh h GLU 416 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1qoh h GLU 416 CO 0.58 0.10 0.00 -0.40 -0.73 0.00 0.00 179.01 178.56 1qoh n ASP 417 N -3.79 2.13 -0.25 1.04 5.68 -1.26 -4.89 116.55 115.21 1qoh n ASP 417 Ca -0.02 -2.10 -0.03 0.00 -0.50 0.00 0.00 54.79 52.14 1qoh n ASP 417 Cb 0.21 -0.31 -0.01 0.00 -1.14 0.00 0.00 41.12 39.86 1qoh n ASP 417 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1qoh n ASN 418 N 0.45 -4.05 -4.89 -1.12 3.02 -0.40 -5.03 115.26 103.24 1qoh n ASN 418 Ca 0.12 0.08 -0.23 0.00 -0.03 0.00 0.00 54.58 54.51 1qoh n ASN 418 Cb 0.38 -1.84 0.06 0.00 -0.61 0.00 0.00 39.78 37.77 1qoh n ASN 418 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1qoh s THR 419 N -1.90 2.43 -0.06 3.41 -4.23 -1.26 -4.86 115.64 109.17 1qoh s THR 419 Ca 0.00 -0.50 0.01 0.00 -1.18 0.00 0.00 61.69 60.02 1qoh s THR 419 Cb 0.00 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.93 1qoh s THR 419 CO 0.00 0.00 -0.06 0.12 -0.54 0.00 0.00 174.62 174.14 1qoh s PHE 420 N -3.02 0.95 0.01 3.99 5.36 -0.57 -0.89 117.98 123.80 1qoh s PHE 420 Ca 0.60 -0.31 0.01 0.00 -0.96 0.00 0.00 56.93 56.27 1qoh s PHE 420 Cb -0.09 -0.81 -0.04 0.00 -0.34 0.00 0.00 43.02 41.74 1qoh s PHE 420 CO 0.42 -0.25 0.05 0.99 -1.46 0.00 0.00 175.22 174.97 1qoh s THR 421 N 1.02 4.45 0.03 0.12 2.01 0.56 -1.46 115.64 122.37 1qoh s THR 421 Ca -0.09 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1qoh s THR 421 Cb -0.14 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 1qoh s THR 421 CO -0.00 0.32 -0.05 0.68 -0.69 0.00 0.00 174.62 174.88 1qoh s VAL 422 N -1.19 0.29 -0.20 3.82 -7.23 0.34 -0.65 120.40 115.58 1qoh s VAL 422 Ca 0.23 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.42 1qoh s VAL 422 Cb -0.12 -0.40 -0.00 0.00 0.56 0.00 0.00 36.38 36.42 1qoh s VAL 422 CO 0.14 -0.43 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.66 1qoh s LYS 423 N -1.46 3.30 -0.04 4.82 2.20 -0.52 -1.19 119.74 126.85 1qoh s LYS 423 Ca -0.13 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 1qoh s LYS 423 Cb -0.10 -2.86 0.02 0.00 -1.51 0.00 0.00 37.83 33.39 1qoh s LYS 423 CO -0.00 -0.13 -0.05 0.08 -0.36 0.00 0.00 175.35 174.88 1qoh s VAL 424 N 1.24 0.60 -1.44 4.02 1.01 -0.22 -0.61 120.40 125.00 1qoh s VAL 424 Ca 0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 1qoh s VAL 424 Cb -0.14 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.68 1qoh s VAL 424 CO -0.04 0.23 1.06 -1.20 0.00 0.00 0.00 175.10 175.15 1qoh n SER 425 N 3.94 -5.19 0.00 3.32 7.64 -1.26 -1.71 113.62 120.37 1qoh n SER 425 Ca -0.25 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1qoh n SER 425 Cb 0.51 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 59.31 1qoh n SER 425 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qoh n GLY 426 N -1.80 2.14 3.63 0.23 0.00 -1.26 -5.00 105.19 103.13 1qoh n GLY 426 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1qoh n GLY 426 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qoh s ARG 427 N -0.04 2.45 -0.11 1.61 0.52 -0.69 -5.06 118.95 117.63 1qoh s ARG 427 Ca 0.00 -0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 54.31 1qoh s ARG 427 Cb 0.00 -2.47 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 1qoh s ARG 427 CO 0.00 0.55 0.13 -1.21 0.02 0.00 0.00 175.30 174.80 1qoh s GLU 428 N -1.97 3.41 0.01 3.54 2.02 -1.26 -1.05 118.70 123.39 1qoh s GLU 428 Ca 0.22 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.05 1qoh s GLU 428 Cb -0.11 -3.16 -0.01 0.00 0.10 0.00 0.00 34.13 30.95 1qoh s GLU 428 CO 0.13 0.77 -0.02 0.71 0.02 0.00 0.00 175.26 176.87 1qoh s TYR 429 N -1.04 0.20 0.24 1.61 2.02 -0.34 0.71 117.35 120.76 1qoh s TYR 429 Ca 0.16 -0.27 0.10 0.00 -0.37 0.00 0.00 57.07 56.68 1qoh s TYR 429 Cb -0.12 -0.14 -0.05 0.00 -0.40 0.00 0.00 41.96 41.25 1qoh s TYR 429 CO 0.05 -0.09 -0.18 1.67 -1.57 0.00 0.00 175.55 175.43 1qoh s TRP 430 N -0.74 2.03 -0.01 2.71 1.48 -0.90 -0.50 118.94 123.01 1qoh s TRP 430 Ca -0.07 -0.44 -0.08 0.00 -1.06 0.00 0.00 56.10 54.45 1qoh s TRP 430 Cb -0.05 -0.91 0.00 0.00 -1.16 0.00 0.00 33.47 31.35 1qoh s TRP 430 CO -0.00 0.56 0.16 -0.08 -4.06 0.00 0.00 176.95 173.52 1qoh s THR 431 N -2.68 0.07 -0.26 0.66 -1.32 -0.54 -1.22 115.64 110.36 1qoh s THR 431 Ca 0.26 -0.60 0.12 0.00 -1.21 0.00 0.00 61.69 60.27 1qoh s THR 431 Cb -0.03 -0.43 0.60 0.00 -1.51 0.00 0.00 72.50 71.13 1qoh s THR 431 CO 0.11 -0.33 1.57 -0.46 -2.21 0.00 0.00 174.62 173.30 1qoh n ASN 432 N 1.61 3.88 -4.50 8.08 0.23 -1.26 -1.51 115.26 121.79 1qoh n ASN 432 Ca -0.21 -3.27 -0.43 0.00 -0.53 0.00 0.00 54.58 50.13 1qoh n ASN 432 Cb 0.56 -0.64 -0.06 0.00 -2.08 0.00 0.00 39.78 37.56 1qoh n ASN 432 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1qoh s ARG 433 N -2.99 3.25 0.17 -3.83 1.81 -1.26 -4.92 118.95 111.18 1qoh s ARG 433 Ca 0.47 -0.48 -0.22 0.00 -1.72 0.00 0.00 55.73 53.78 1qoh s ARG 433 Cb 0.39 -4.00 0.08 0.00 -0.45 0.00 0.00 34.95 30.97 1qoh s ARG 433 CO 0.08 -1.14 1.59 -1.49 -0.68 0.00 0.00 175.30 173.67 1qoh h TRP 434 N 8.97 -0.90 -0.99 -0.53 -0.00 -1.91 -2.04 115.95 118.55 1qoh h TRP 434 Ca -0.26 0.06 0.35 0.00 -0.00 0.00 0.00 58.89 59.04 1qoh h TRP 434 Cb 1.09 0.46 -0.16 0.00 -0.00 0.00 0.00 29.16 30.55 1qoh h TRP 434 CO 0.76 -0.38 0.47 -0.91 -0.00 0.00 0.00 178.44 178.39 1qoh h ASN 435 N -0.22 0.29 0.89 -3.49 4.21 -2.01 0.83 115.58 116.07 1qoh h ASN 435 Ca 0.19 0.23 -0.05 0.00 1.21 0.00 0.00 56.30 57.88 1qoh h ASN 435 Cb 0.54 0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.97 1qoh h ASN 435 CO -0.58 -0.29 -0.23 -0.07 -1.29 0.00 0.00 177.43 174.97 1qoh h LEU 436 N 0.15 0.00 0.07 1.61 3.38 -1.78 -3.36 115.31 115.38 1qoh h LEU 436 Ca 0.75 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.73 1qoh h LEU 436 Cb 1.82 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.54 1qoh h LEU 436 CO -0.71 0.23 -0.38 1.56 0.09 0.00 0.00 178.44 179.23 1qoh h GLN 437 N 0.00 -0.51 -0.23 1.13 4.20 -0.87 0.44 115.11 119.26 1qoh h GLN 437 Ca -0.00 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1qoh h GLN 437 Cb 0.74 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1qoh h GLN 437 CO 0.03 -0.34 -0.02 -1.00 -0.67 0.00 0.00 178.83 176.82 1qoh h PRO 438 N -0.53 0.34 -0.11 1.46 0.13 -1.76 -0.77 132.00 130.75 1qoh h PRO 438 Ca -0.00 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1qoh h PRO 438 Cb 0.54 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1qoh h PRO 438 CO -0.22 0.39 0.00 -0.07 -0.23 0.00 0.00 178.00 177.87 1qoh h LEU 439 N 0.33 0.19 -0.82 1.56 3.38 -1.58 -1.60 115.31 116.78 1qoh h LEU 439 Ca 0.07 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1qoh h LEU 439 Cb 0.26 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1qoh h LEU 439 CO 0.01 0.44 0.48 -0.07 0.09 0.00 0.00 178.44 179.39 1qoh h LEU 440 N -0.06 1.00 -0.73 1.67 3.38 0.15 -0.31 115.31 120.40 1qoh h LEU 440 Ca 0.03 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1qoh h LEU 440 Cb 0.34 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1qoh h LEU 440 CO 0.01 0.79 0.28 -0.61 0.09 0.00 0.00 178.44 178.99 1qoh h GLN 441 N 1.13 1.10 -0.42 1.13 4.15 -1.05 -0.48 115.11 120.68 1qoh h GLN 441 Ca 0.29 -0.21 -0.09 0.00 0.77 0.00 0.00 58.65 59.41 1qoh h GLN 441 Cb -0.02 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1qoh h GLN 441 CO -0.05 0.91 -0.12 0.77 -1.93 0.00 0.00 178.83 178.41 1qoh h SER 442 N 1.06 0.74 -0.72 -0.69 0.02 -0.70 -1.40 113.55 111.86 1qoh h SER 442 Ca 0.24 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1qoh h SER 442 Cb 0.24 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1qoh h SER 442 CO -0.02 0.88 0.45 0.00 -1.14 0.00 0.00 176.83 177.01 1qoh h ALA 443 N 1.19 0.94 -0.54 3.77 0.00 -0.41 -0.68 119.26 123.52 1qoh h ALA 443 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1qoh h ALA 443 Cb 0.59 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1qoh h ALA 443 CO 0.04 0.24 -0.03 0.37 0.00 0.00 0.00 179.25 179.87 1qoh h GLN 444 N 0.89 0.95 0.00 0.00 4.15 -0.63 -1.41 115.11 119.05 1qoh h GLN 444 Ca 0.29 -0.30 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1qoh h GLN 444 Cb 0.01 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1qoh h GLN 444 CO -0.11 0.95 -0.55 -0.07 -1.93 0.00 0.00 178.83 177.13 1qoh h LEU 445 N 0.87 0.00 -2.49 -2.39 3.38 -0.71 -3.19 115.31 110.77 1qoh h LEU 445 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1qoh h LEU 445 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1qoh h LEU 445 CO 0.03 0.55 0.00 0.35 0.09 0.00 0.00 178.44 179.46 1qoh n THR 446 N -3.68 0.68 -2.33 0.22 -2.24 -0.31 -4.97 114.28 101.65 1qoh n THR 446 Ca -0.01 -0.84 -0.15 0.00 -2.27 0.00 0.00 64.05 60.79 1qoh n THR 446 Cb 0.60 0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1qoh n THR 446 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qoh n GLY 447 N 1.51 -0.22 3.80 3.38 0.00 -0.91 -5.00 105.19 107.76 1qoh n GLY 447 Ca 0.21 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1qoh n GLY 447 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qoh s MET 448 N -4.79 3.15 -0.24 1.61 -1.94 -0.58 -4.93 119.30 111.58 1qoh s MET 448 Ca 0.02 1.19 -0.22 0.00 -1.71 0.00 0.00 55.69 54.97 1qoh s MET 448 Cb -0.01 -2.01 -0.01 0.00 2.01 0.00 0.00 34.83 34.81 1qoh s MET 448 CO 0.03 -0.95 0.72 0.99 -0.01 0.00 0.00 175.02 175.81 1qoh s THR 449 N -2.54 4.92 0.21 2.05 2.01 -1.26 -4.39 115.64 116.64 1qoh s THR 449 Ca 0.63 1.34 0.08 0.00 0.31 0.00 0.00 61.69 64.05 1qoh s THR 449 Cb -0.16 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1qoh s THR 449 CO 0.41 -0.00 0.01 0.68 -0.69 0.00 0.00 174.62 175.03 1qoh s VAL 450 N 2.56 3.69 -0.19 3.82 -7.23 -0.40 -1.14 120.40 121.51 1qoh s VAL 450 Ca 0.31 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 1qoh s VAL 450 Cb -0.15 -2.90 0.04 0.00 0.56 0.00 0.00 36.38 33.93 1qoh s VAL 450 CO 0.08 -0.21 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.69 1qoh s THR 451 N -1.94 1.43 -0.18 5.32 2.01 -0.02 -2.01 115.64 120.25 1qoh s THR 451 Ca 0.29 -0.87 -0.27 0.00 0.31 0.00 0.00 61.69 61.14 1qoh s THR 451 Cb -0.08 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 1qoh s THR 451 CO 0.19 0.14 0.94 -0.63 -0.69 0.00 0.00 174.62 174.57 1qoh s ILE 452 N 1.49 4.79 -0.18 1.82 -1.09 -0.34 -1.48 121.20 126.21 1qoh s ILE 452 Ca -0.01 1.85 -0.02 0.00 -2.23 0.00 0.00 60.65 60.25 1qoh s ILE 452 Cb -0.16 -4.23 -0.00 0.00 -1.58 0.00 0.00 42.46 36.48 1qoh s ILE 452 CO -0.08 -0.05 -0.11 -0.63 -1.23 0.00 0.00 174.94 172.85 1qoh s ILE 453 N 2.47 2.99 0.28 2.92 1.01 -0.50 -0.82 121.20 129.54 1qoh s ILE 453 Ca 0.42 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 60.22 1qoh s ILE 453 Cb -0.16 -2.30 0.04 0.00 0.01 0.00 0.00 42.46 40.04 1qoh s ILE 453 CO 0.12 0.48 0.80 -0.55 0.00 0.00 0.00 174.94 175.79 1qoh s SER 454 N 1.04 -0.17 -0.00 3.58 0.15 -0.53 -3.77 113.70 114.01 1qoh s SER 454 Ca -0.00 -0.70 -0.05 0.00 0.70 0.00 0.00 55.95 55.89 1qoh s SER 454 Cb -0.15 0.70 -0.29 0.00 -1.71 0.00 0.00 66.02 64.58 1qoh s SER 454 CO -0.02 -1.33 0.85 0.78 1.20 0.00 0.00 173.24 174.72 1qoh h ASN 455 N 2.00 0.45 -3.58 5.45 -0.26 -1.88 -1.77 115.58 115.99 1qoh h ASN 455 Ca -0.23 -0.62 -0.67 0.00 -0.56 0.00 0.00 56.30 54.22 1qoh h ASN 455 Cb 1.24 -0.15 -0.27 0.00 -1.06 0.00 0.00 38.32 38.09 1qoh h ASN 455 CO 0.28 1.51 -0.65 0.42 -1.06 0.00 0.00 177.43 177.93 1qoh s THR 456 N -2.61 3.73 -2.39 2.81 -4.23 -1.26 -4.88 115.64 106.81 1qoh s THR 456 Ca -0.10 -0.74 0.22 0.00 -1.18 0.00 0.00 61.69 59.89 1qoh s THR 456 Cb 0.06 -2.91 0.45 0.00 1.34 0.00 0.00 72.50 71.45 1qoh s THR 456 CO 0.86 0.12 1.44 0.00 -0.54 0.00 0.00 174.62 176.50 1qoh s SER 458 N -1.43 7.25 0.19 0.00 1.04 -1.26 -4.95 113.70 114.54 1qoh s SER 458 Ca 0.38 2.25 -0.31 0.00 0.48 0.00 0.00 55.95 58.75 1qoh s SER 458 Cb 0.22 -2.62 -0.16 0.00 0.10 0.00 0.00 66.02 63.56 1qoh s SER 458 CO 0.31 -0.17 0.99 -0.24 0.98 0.00 0.00 173.24 175.11 1qoh n SER 459 N 1.42 0.69 0.00 7.02 2.88 -1.26 -1.69 113.62 122.68 1qoh n SER 459 Ca -0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1qoh n SER 459 Cb 0.45 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 1qoh n SER 459 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qoh n GLY 460 N 1.78 0.59 3.86 0.46 0.00 0.22 -4.89 105.19 107.21 1qoh n GLY 460 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1qoh n GLY 460 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qoh s SER 461 N -2.77 6.43 0.54 1.61 0.01 -0.68 -4.78 113.70 114.06 1qoh s SER 461 Ca 0.00 1.43 -0.07 0.00 1.31 0.00 0.00 55.95 58.62 1qoh s SER 461 Cb 0.00 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 1qoh s SER 461 CO 0.00 -0.68 0.86 -0.83 0.41 0.00 0.00 173.24 173.00 1qoh s GLY 462 N -3.59 1.55 0.02 3.44 0.00 -1.26 -2.12 107.32 105.36 1qoh s GLY 462 Ca 0.56 -0.46 -0.22 0.00 0.00 0.00 0.00 44.72 44.61 1qoh s GLY 462 CO 0.41 -0.24 0.49 -0.11 0.00 0.00 0.00 173.10 173.65 1qoh s PHE 463 N -2.89 -0.38 0.00 1.90 -0.71 -0.36 -4.83 117.98 110.71 1qoh s PHE 463 Ca 0.50 0.49 0.00 0.00 -1.04 0.00 0.00 56.93 56.88 1qoh s PHE 463 Cb -0.10 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 41.99 1qoh s PHE 463 CO 0.47 -0.58 0.86 0.00 -1.34 0.00 0.00 175.22 174.63 1qoh n ALA 464 N 0.66 1.85 -3.44 1.99 0.00 -1.26 -4.34 120.51 115.97 1qoh n ALA 464 Ca -0.19 -0.81 -0.15 0.00 0.00 0.00 0.00 53.44 52.29 1qoh n ALA 464 Cb 0.59 -0.37 -0.15 0.00 0.00 0.00 0.00 19.45 19.51 1qoh n ALA 464 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qoh s GLU 465 N 0.00 0.16 -0.10 0.00 2.12 -1.25 -5.09 118.70 114.54 1qoh s GLU 465 Ca 0.00 0.06 -0.18 0.00 0.36 0.00 0.00 54.97 55.21 1qoh s GLU 465 Cb 0.00 -0.31 0.04 0.00 0.26 0.00 0.00 34.13 34.13 1qoh s GLU 465 CO 0.00 -0.09 0.44 0.54 -0.54 0.00 0.00 175.26 175.62 1qoh s VAL 466 N 0.68 0.02 -0.04 3.70 0.11 -1.26 -1.41 120.40 122.20 1qoh s VAL 466 Ca -0.06 -0.17 0.04 0.00 -2.93 0.00 0.00 61.98 58.85 1qoh s VAL 466 Cb -0.09 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1qoh s VAL 466 CO -0.01 -0.09 -0.13 -1.58 -3.33 0.00 0.00 175.10 169.95 1qoh s GLN 467 N -0.55 2.50 -0.17 1.54 0.74 -0.55 -4.94 119.66 118.23 1qoh s GLN 467 Ca -0.07 -0.70 -0.01 0.00 0.05 0.00 0.00 55.36 54.63 1qoh s GLN 467 Cb -0.03 -2.40 -0.01 0.00 1.10 0.00 0.00 33.01 31.67 1qoh s GLN 467 CO 0.03 0.62 -0.11 -0.06 -0.55 0.00 0.00 175.29 175.22 1qoh s PHE 468 N -0.78 2.85 -0.93 1.67 0.40 -1.26 -0.84 117.98 119.08 1qoh s PHE 468 Ca 0.12 -0.91 0.07 0.00 -0.60 0.00 0.00 56.93 55.62 1qoh s PHE 468 Cb -0.11 -1.94 0.06 0.00 0.51 0.00 0.00 43.02 41.54 1qoh s PHE 468 CO 0.02 -0.42 0.74 0.09 0.70 0.00 0.00 175.22 176.34