#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 0.09 0.00 1.11 -1.26 -1.61 116.67 121.47 1qoh s ASP 403 Ca 0.00 -1.65 -0.18 0.00 0.18 0.00 0.00 52.55 50.90 1qoh s ASP 403 Cb 0.00 -2.42 -0.07 0.00 1.07 0.00 0.00 42.92 41.50 1qoh s ASP 403 CO 0.00 -1.23 1.53 0.00 1.18 0.00 0.00 175.17 176.65 1qoh s ALA 405 N -5.01 -0.81 -0.16 0.00 0.00 -1.21 -4.99 121.76 109.58 1qoh s ALA 405 Ca -0.14 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.81 1qoh s ALA 405 Cb 0.08 0.42 0.07 0.00 0.00 0.00 0.00 23.12 23.69 1qoh s ALA 405 CO 0.75 -0.49 0.35 0.21 0.00 0.00 0.00 175.76 176.58 1qoh s LYS 406 N -2.91 0.28 0.00 0.00 2.20 -1.26 -1.29 119.74 116.76 1qoh s LYS 406 Ca -0.03 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 1qoh s LYS 406 Cb 0.00 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1qoh s LYS 406 CO -0.06 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 1qoh n GLY 407 N 4.90 -1.33 3.85 5.54 0.00 -0.84 -4.71 105.19 112.60 1qoh n GLY 407 Ca -0.14 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.64 3.01 -0.25 1.61 -0.14 -1.26 -1.34 119.74 119.72 1qoh s LYS 408 Ca 0.00 0.74 -0.22 0.00 -1.36 0.00 0.00 55.97 55.12 1qoh s LYS 408 Cb 0.00 -2.01 -0.01 0.00 -1.68 0.00 0.00 37.83 34.12 1qoh s LYS 408 CO 0.00 -0.99 0.73 0.42 -0.76 0.00 0.00 175.35 174.75 1qoh s ILE 409 N -3.17 4.90 0.00 2.17 1.01 -1.26 -4.43 121.20 120.42 1qoh s ILE 409 Ca 0.57 1.33 -0.22 0.00 0.00 0.00 0.00 60.65 62.33 1qoh s ILE 409 Cb -0.12 -4.03 -0.18 0.00 0.01 0.00 0.00 42.46 38.13 1qoh s ILE 409 CO 0.54 -0.04 1.25 -0.08 0.00 0.00 0.00 174.94 176.60 1qoh h GLU 410 N 7.82 0.24 -3.09 2.79 4.81 -0.73 -3.47 114.58 122.96 1qoh h GLU 410 Ca -0.25 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 1qoh h GLU 410 Cb 1.11 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 30.40 1qoh h GLU 410 CO 0.83 0.74 0.15 -0.59 -0.73 0.00 0.00 179.01 179.41 1qoh s PHE 411 N -3.99 -0.38 0.15 0.92 -0.12 -1.26 -5.00 117.98 108.31 1qoh s PHE 411 Ca -0.15 0.09 0.04 0.00 -0.05 0.00 0.00 56.93 56.87 1qoh s PHE 411 Cb 0.03 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 1qoh s PHE 411 CO 0.74 -0.91 -0.09 -1.54 -0.05 0.00 0.00 175.22 173.37 1qoh s SER 412 N -2.80 1.80 -0.14 1.98 1.04 -1.26 -1.67 113.70 112.64 1qoh s SER 412 Ca 0.04 -1.03 -0.09 0.00 0.48 0.00 0.00 55.95 55.35 1qoh s SER 412 Cb -0.01 -0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.15 1qoh s SER 412 CO -0.08 -0.35 0.35 -0.75 0.98 0.00 0.00 173.24 173.40 1qoh s LYS 413 N -3.76 0.35 -0.22 4.02 2.20 0.13 -4.97 119.74 117.50 1qoh s LYS 413 Ca 0.18 0.66 -0.15 0.00 -0.36 0.00 0.00 55.97 56.30 1qoh s LYS 413 Cb 0.03 -0.00 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 1qoh s LYS 413 CO 0.01 -0.14 0.35 -0.47 -0.36 0.00 0.00 175.35 174.75 1qoh s TYR 414 N 1.11 3.35 0.20 4.03 6.14 -1.26 -0.22 117.35 130.70 1qoh s TYR 414 Ca -0.07 0.52 0.02 0.00 0.64 0.00 0.00 57.07 58.17 1qoh s TYR 414 Cb -0.08 -2.49 -0.04 0.00 0.42 0.00 0.00 41.96 39.78 1qoh s TYR 414 CO -0.09 -0.03 0.36 -0.80 0.64 0.00 0.00 175.55 175.64 1qoh s ASN 415 N 1.12 6.35 0.56 4.32 0.01 -0.39 -5.00 114.94 121.91 1qoh s ASN 415 Ca 0.16 0.25 0.26 0.00 -0.71 0.00 0.00 52.86 52.82 1qoh s ASN 415 Cb -0.15 -1.94 1.55 0.00 0.41 0.00 0.00 41.25 41.12 1qoh s ASN 415 CO 0.08 -0.04 2.11 -0.08 -1.51 0.00 0.00 177.10 177.66 1qoh h GLU 416 N 1.77 0.00 -0.41 -0.60 4.81 -1.97 0.17 114.58 118.34 1qoh h GLU 416 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1qoh h GLU 416 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1qoh h GLU 416 CO 0.66 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.54 1qoh n ASP 417 N -4.07 1.87 -0.12 1.04 5.68 -1.26 -4.89 116.55 114.80 1qoh n ASP 417 Ca 0.02 -2.08 -0.02 0.00 -0.50 0.00 0.00 54.79 52.22 1qoh n ASP 417 Cb 0.30 -0.28 -0.01 0.00 -1.14 0.00 0.00 41.12 40.00 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 0.35 -3.74 -4.96 -1.12 3.02 0.58 -5.03 115.26 104.37 1qoh n ASN 418 Ca 0.10 0.04 -0.23 0.00 -0.03 0.00 0.00 54.58 54.47 1qoh n ASN 418 Cb 0.33 -1.37 0.03 0.00 -0.61 0.00 0.00 39.78 38.16 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 -1.87 3.33 -0.05 3.41 -4.23 -1.25 -4.88 115.64 110.09 1qoh s THR 419 Ca 0.00 -0.52 0.04 0.00 -1.18 0.00 0.00 61.69 60.03 1qoh s THR 419 Cb 0.00 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.59 1qoh s THR 419 CO 0.00 -0.19 -0.16 0.12 -0.54 0.00 0.00 174.62 173.86 1qoh s PHE 420 N -2.71 1.62 -0.03 3.99 5.36 -0.27 -1.26 117.98 124.68 1qoh s PHE 420 Ca 0.53 -0.51 0.04 0.00 -0.96 0.00 0.00 56.93 56.03 1qoh s PHE 420 Cb -0.10 -1.12 -0.03 0.00 -0.34 0.00 0.00 43.02 41.43 1qoh s PHE 420 CO 0.39 -0.20 -0.12 0.99 -1.46 0.00 0.00 175.22 174.82 1qoh s THR 421 N 0.23 3.24 0.08 0.12 2.01 0.70 -0.63 115.64 121.37 1qoh s THR 421 Ca -0.07 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.20 1qoh s THR 421 Cb -0.13 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1qoh s THR 421 CO 0.03 0.52 -0.10 0.68 -0.69 0.00 0.00 174.62 175.06 1qoh s VAL 422 N -0.82 0.82 -0.20 3.82 -7.23 0.76 0.22 120.40 117.77 1qoh s VAL 422 Ca 0.13 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1qoh s VAL 422 Cb -0.11 -1.13 0.03 0.00 0.56 0.00 0.00 36.38 35.74 1qoh s VAL 422 CO 0.03 -0.49 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.40 1qoh s LYS 423 N -2.37 2.79 -0.07 4.82 2.20 -0.67 -1.16 119.74 125.28 1qoh s LYS 423 Ca 0.00 -0.96 0.01 0.00 -0.36 0.00 0.00 55.97 54.66 1qoh s LYS 423 Cb -0.05 -2.65 0.02 0.00 -1.51 0.00 0.00 37.83 33.64 1qoh s LYS 423 CO 0.00 -0.30 -0.07 0.08 -0.36 0.00 0.00 175.35 174.70 1qoh s VAL 424 N 1.24 0.80 -1.29 4.02 1.01 -0.35 0.10 120.40 125.94 1qoh s VAL 424 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1qoh s VAL 424 Cb -0.15 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.44 1qoh s VAL 424 CO -0.11 0.30 1.01 -1.20 0.00 0.00 0.00 175.10 175.10 1qoh n SER 425 N 4.22 -3.46 0.00 3.32 7.64 -1.26 -2.15 113.62 121.94 1qoh n SER 425 Ca -0.20 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1qoh n SER 425 Cb 0.51 -4.84 0.00 0.00 -1.01 0.00 0.00 64.21 58.87 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 -1.51 0.39 3.57 0.23 0.00 -1.26 -4.96 105.19 101.65 1qoh n GLY 426 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.60 2.16 -0.03 1.61 0.52 -0.91 -5.07 118.95 116.63 1qoh s ARG 427 Ca 0.00 -1.00 -0.02 0.00 -0.52 0.00 0.00 55.73 54.19 1qoh s ARG 427 Cb 0.00 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 1qoh s ARG 427 CO 0.00 0.52 0.12 -1.21 0.02 0.00 0.00 175.30 174.74 1qoh s GLU 428 N -2.10 3.23 -0.00 3.54 2.02 -1.26 -1.21 118.70 122.91 1qoh s GLU 428 Ca 0.21 -0.38 -0.03 0.00 0.02 0.00 0.00 54.97 54.79 1qoh s GLU 428 Cb -0.11 -2.98 -0.00 0.00 0.10 0.00 0.00 34.13 31.14 1qoh s GLU 428 CO 0.13 0.68 0.06 0.71 0.02 0.00 0.00 175.26 176.86 1qoh s TYR 429 N -1.19 0.07 0.21 1.61 2.02 -0.30 0.43 117.35 120.20 1qoh s TYR 429 Ca 0.22 -0.15 0.08 0.00 -0.37 0.00 0.00 57.07 56.85 1qoh s TYR 429 Cb -0.12 -0.07 -0.05 0.00 -0.40 0.00 0.00 41.96 41.32 1qoh s TYR 429 CO 0.13 -0.17 -0.15 1.67 -1.57 0.00 0.00 175.55 175.46 1qoh s TRP 430 N -0.94 1.75 -0.03 2.71 1.48 -0.99 -0.17 118.94 122.75 1qoh s TRP 430 Ca -0.10 -0.55 -0.06 0.00 -1.06 0.00 0.00 56.10 54.32 1qoh s TRP 430 Cb -0.06 -0.81 0.01 0.00 -1.16 0.00 0.00 33.47 31.45 1qoh s TRP 430 CO 0.00 0.38 0.14 -0.08 -4.06 0.00 0.00 176.95 173.34 1qoh s THR 431 N -2.92 0.03 -1.56 0.66 -1.32 0.19 -1.07 115.64 109.67 1qoh s THR 431 Ca 0.23 -0.29 0.20 0.00 -1.21 0.00 0.00 61.69 60.62 1qoh s THR 431 Cb -0.01 -0.30 0.65 0.00 -1.51 0.00 0.00 72.50 71.33 1qoh s THR 431 CO 0.07 -0.16 1.55 -0.46 -2.21 0.00 0.00 174.62 173.42 1qoh n ASN 432 N 2.38 4.19 -4.53 8.08 0.23 -1.26 -1.11 115.26 123.23 1qoh n ASN 432 Ca -0.17 -2.18 -0.43 0.00 -0.53 0.00 0.00 54.58 51.28 1qoh n ASN 432 Cb 0.58 -0.51 -0.04 0.00 -2.08 0.00 0.00 39.78 37.73 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 -1.34 3.36 0.51 -3.83 1.81 -1.26 -4.91 118.95 113.30 1qoh s ARG 433 Ca 0.48 -0.16 0.25 0.00 -1.72 0.00 0.00 55.73 54.57 1qoh s ARG 433 Cb 0.27 -4.05 1.38 0.00 -0.45 0.00 0.00 34.95 32.11 1qoh s ARG 433 CO 0.29 -1.55 2.07 0.11 -0.68 0.00 0.00 175.30 175.53 1qoh h TRP 434 N 9.39 0.00 -0.11 -0.53 5.08 -1.90 -2.27 115.95 125.61 1qoh h TRP 434 Ca -0.26 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.70 1qoh h TRP 434 Cb 1.07 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.22 1qoh h TRP 434 CO 0.95 0.12 0.01 -0.91 -1.28 0.00 0.00 178.44 177.33 1qoh h ASN 435 N 0.00 0.13 0.50 0.11 4.21 -2.01 -2.01 115.58 116.51 1qoh h ASN 435 Ca -0.00 -0.01 -0.10 0.00 1.21 0.00 0.00 56.30 57.40 1qoh h ASN 435 Cb 0.30 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1qoh h ASN 435 CO 0.02 0.15 -0.48 -0.07 -1.29 0.00 0.00 177.43 175.75 1qoh h LEU 436 N 0.15 0.00 -0.33 1.61 3.38 -1.82 -3.36 115.31 114.94 1qoh h LEU 436 Ca 0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1qoh h LEU 436 Cb 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 1qoh h LEU 436 CO -0.00 0.48 -0.46 1.56 0.09 0.00 0.00 178.44 180.12 1qoh h GLN 437 N 0.00 -0.32 -0.38 1.13 4.20 -1.43 0.39 115.11 118.71 1qoh h GLN 437 Ca -0.00 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1qoh h GLN 437 Cb 0.87 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1qoh h GLN 437 CO 0.06 -0.21 0.15 -1.00 -0.67 0.00 0.00 178.83 177.16 1qoh h PRO 438 N -0.33 0.53 -0.48 1.46 0.13 -1.75 -0.69 132.00 130.88 1qoh h PRO 438 Ca 0.06 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 65.06 1qoh h PRO 438 Cb 0.49 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 1qoh h PRO 438 CO -0.49 0.44 0.06 -0.07 -0.23 0.00 0.00 178.00 177.71 1qoh h LEU 439 N 0.53 0.78 -0.23 1.56 3.38 -1.38 -1.20 115.31 118.74 1qoh h LEU 439 Ca 0.13 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1qoh h LEU 439 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1qoh h LEU 439 CO -0.01 0.85 -0.01 -0.07 0.09 0.00 0.00 178.44 179.29 1qoh h LEU 440 N 0.67 0.41 -1.24 1.67 3.38 0.11 -1.83 115.31 118.48 1qoh h LEU 440 Ca 0.14 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1qoh h LEU 440 Cb 0.42 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1qoh h LEU 440 CO 0.01 0.63 0.28 -0.61 0.09 0.00 0.00 178.44 178.84 1qoh h GLN 441 N 0.18 0.80 -0.36 1.13 4.15 -0.99 0.07 115.11 120.10 1qoh h GLN 441 Ca 0.06 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 1qoh h GLN 441 Cb 0.43 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1qoh h GLN 441 CO 0.01 0.62 0.05 0.77 -1.93 0.00 0.00 178.83 178.35 1qoh h SER 442 N 0.81 0.58 -0.59 -0.69 0.02 -1.11 0.41 113.55 112.97 1qoh h SER 442 Ca 0.20 -0.27 0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1qoh h SER 442 Cb 0.08 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.41 1qoh h SER 442 CO -0.03 0.70 0.27 0.00 -1.14 0.00 0.00 176.83 176.63 1qoh h ALA 443 N 0.90 0.77 0.10 3.77 0.00 -0.68 -0.90 119.26 123.21 1qoh h ALA 443 Ca 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1qoh h ALA 443 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1qoh h ALA 443 CO 0.01 -0.11 -0.05 0.37 0.00 0.00 0.00 179.25 179.47 1qoh h GLN 444 N 0.49 -0.13 -0.91 0.00 4.15 -0.68 -1.20 115.11 116.84 1qoh h GLN 444 Ca 0.28 0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.88 1qoh h GLN 444 Cb 0.27 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.91 1qoh h GLN 444 CO -0.23 0.07 0.59 -0.07 -1.93 0.00 0.00 178.83 177.25 1qoh h LEU 445 N -0.30 0.58 -0.35 -2.39 3.38 -0.45 -2.90 115.31 112.87 1qoh h LEU 445 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1qoh h LEU 445 Cb 0.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1qoh h LEU 445 CO 0.02 0.26 -0.78 0.35 0.09 0.00 0.00 178.44 178.38 1qoh n THR 446 N -4.57 0.00 -0.76 0.22 -2.24 -0.38 -5.01 114.28 101.53 1qoh n THR 446 Ca 0.19 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1qoh n THR 446 Cb 0.57 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 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 1.45 0.63 3.73 3.38 0.00 -0.70 -5.05 105.19 108.62 1qoh n GLY 447 Ca 0.06 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.57 1.80 -0.19 1.61 -1.94 -0.54 -4.90 119.30 113.57 1qoh s MET 448 Ca 0.00 1.41 -0.16 0.00 -1.71 0.00 0.00 55.69 55.24 1qoh s MET 448 Cb 0.00 -1.83 -0.04 0.00 2.01 0.00 0.00 34.83 34.97 1qoh s MET 448 CO 0.00 -2.02 0.40 0.99 -0.01 0.00 0.00 175.02 174.38 1qoh s THR 449 N -2.64 5.20 0.26 2.05 2.01 -1.26 -4.40 115.64 116.86 1qoh s THR 449 Ca 0.66 0.72 0.10 0.00 0.31 0.00 0.00 61.69 63.47 1qoh s THR 449 Cb -0.21 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1qoh s THR 449 CO 0.54 0.27 -0.01 0.68 -0.69 0.00 0.00 174.62 175.40 1qoh s VAL 450 N 1.19 3.42 -0.21 3.82 -7.23 -0.45 -0.89 120.40 120.06 1qoh s VAL 450 Ca 0.19 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 1qoh s VAL 450 Cb -0.15 -2.82 0.06 0.00 0.56 0.00 0.00 36.38 34.03 1qoh s VAL 450 CO 0.08 -0.35 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.61 1qoh s THR 451 N -2.28 1.01 -0.09 5.32 2.01 -0.43 -1.98 115.64 119.21 1qoh s THR 451 Ca 0.31 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 1qoh s THR 451 Cb -0.07 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1qoh s THR 451 CO 0.19 -0.15 1.03 -0.63 -0.69 0.00 0.00 174.62 174.38 1qoh s ILE 452 N 1.63 4.71 -0.17 1.82 -1.09 -0.41 -1.94 121.20 125.75 1qoh s ILE 452 Ca -0.03 1.98 0.01 0.00 -2.23 0.00 0.00 60.65 60.37 1qoh s ILE 452 Cb -0.18 -4.27 0.01 0.00 -1.58 0.00 0.00 42.46 36.44 1qoh s ILE 452 CO -0.07 0.02 -0.18 -0.63 -1.23 0.00 0.00 174.94 172.85 1qoh s ILE 453 N 1.95 2.32 0.39 2.92 1.01 -0.63 -0.94 121.20 128.21 1qoh s ILE 453 Ca 0.50 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 60.15 1qoh s ILE 453 Cb -0.19 -1.98 0.05 0.00 0.01 0.00 0.00 42.46 40.35 1qoh s ILE 453 CO 0.19 0.52 0.74 -0.55 0.00 0.00 0.00 174.94 175.85 1qoh s SER 454 N 1.12 0.21 -0.08 3.58 0.15 -0.63 -3.84 113.70 114.21 1qoh s SER 454 Ca 0.00 -1.26 0.09 0.00 0.70 0.00 0.00 55.95 55.49 1qoh s SER 454 Cb -0.14 0.83 -0.24 0.00 -1.71 0.00 0.00 66.02 64.76 1qoh s SER 454 CO -0.07 -1.66 0.53 0.59 1.20 0.00 0.00 173.24 173.84 1qoh n ASN 455 N -1.51 1.06 -4.30 5.45 5.03 -1.26 -0.31 115.26 119.42 1qoh n ASN 455 Ca -0.07 0.33 -0.35 0.00 0.87 0.00 0.00 54.58 55.36 1qoh n ASN 455 Cb 0.60 -0.13 -0.14 0.00 -1.02 0.00 0.00 39.78 39.09 1qoh n ASN 455 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1qoh s THR 456 N -2.58 3.21 -1.48 3.41 -4.23 -1.26 -4.88 115.64 107.84 1qoh s THR 456 Ca -0.09 -0.55 0.16 0.00 -1.18 0.00 0.00 61.69 60.03 1qoh s THR 456 Cb 0.08 -2.45 0.43 0.00 1.34 0.00 0.00 72.50 71.90 1qoh s THR 456 CO 0.81 0.44 1.35 0.00 -0.54 0.00 0.00 174.62 176.68 1qoh s SER 458 N -1.04 7.16 0.33 0.00 1.04 -1.26 -4.95 113.70 114.99 1qoh s SER 458 Ca 0.33 2.06 -0.25 0.00 0.48 0.00 0.00 55.95 58.57 1qoh s SER 458 Cb 0.18 -2.60 -0.14 0.00 0.10 0.00 0.00 66.02 63.56 1qoh s SER 458 CO 0.24 -0.20 0.66 -0.24 0.98 0.00 0.00 173.24 174.68 1qoh n SER 459 N 0.69 -0.38 0.00 7.02 2.88 -1.26 -1.72 113.62 120.84 1qoh n SER 459 Ca 0.01 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1qoh n SER 459 Cb 0.48 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 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 1.68 0.81 3.88 0.46 0.00 0.17 -4.91 105.19 107.28 1qoh n GLY 460 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.94 6.28 0.39 1.61 0.01 -0.70 -4.79 113.70 113.57 1qoh s SER 461 Ca 0.00 1.24 -0.07 0.00 1.31 0.00 0.00 55.95 58.43 1qoh s SER 461 Cb 0.00 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 1qoh s SER 461 CO 0.00 -0.72 0.69 -0.83 0.41 0.00 0.00 173.24 172.80 1qoh s GLY 462 N -4.02 1.75 0.06 3.44 0.00 -1.26 -2.34 107.32 104.95 1qoh s GLY 462 Ca 0.52 -0.44 -0.13 0.00 0.00 0.00 0.00 44.72 44.67 1qoh s GLY 462 CO 0.48 -0.29 0.29 -0.11 0.00 0.00 0.00 173.10 173.46 1qoh s PHE 463 N -2.39 -0.06 0.00 1.90 -0.71 -0.23 -4.82 117.98 111.68 1qoh s PHE 463 Ca 0.47 -0.16 0.00 0.00 -1.04 0.00 0.00 56.93 56.20 1qoh s PHE 463 Cb -0.10 0.08 0.00 0.00 -1.21 0.00 0.00 43.02 41.78 1qoh s PHE 463 CO 0.35 -0.53 0.69 0.00 -1.34 0.00 0.00 175.22 174.39 1qoh n ALA 464 N 0.38 1.67 -3.46 1.99 0.00 -1.26 -4.33 120.51 115.50 1qoh n ALA 464 Ca -0.18 -0.58 -0.16 0.00 0.00 0.00 0.00 53.44 52.52 1qoh n ALA 464 Cb 0.60 -0.23 -0.16 0.00 0.00 0.00 0.00 19.45 19.66 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 0.21 -0.18 0.00 2.12 -1.25 -5.09 118.70 114.52 1qoh s GLU 465 Ca 0.00 0.05 -0.19 0.00 0.36 0.00 0.00 54.97 55.19 1qoh s GLU 465 Cb 0.00 -0.35 0.05 0.00 0.26 0.00 0.00 34.13 34.09 1qoh s GLU 465 CO 0.00 -0.09 0.52 0.54 -0.54 0.00 0.00 175.26 175.69 1qoh s VAL 466 N 0.70 0.00 -0.10 3.70 0.11 -1.26 -1.61 120.40 121.94 1qoh s VAL 466 Ca -0.07 -0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 58.93 1qoh s VAL 466 Cb -0.10 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 1qoh s VAL 466 CO -0.01 -0.01 0.02 -1.58 -3.33 0.00 0.00 175.10 170.19 1qoh s GLN 467 N 0.13 3.16 -0.16 1.54 0.74 -0.82 -4.94 119.66 119.31 1qoh s GLN 467 Ca -0.01 -0.37 -0.01 0.00 0.05 0.00 0.00 55.36 55.03 1qoh s GLN 467 Cb -0.04 -2.89 -0.01 0.00 1.10 0.00 0.00 33.01 31.18 1qoh s GLN 467 CO 0.01 0.66 -0.13 -0.06 -0.55 0.00 0.00 175.29 175.23 1qoh s PHE 468 N -0.74 2.83 -0.33 1.67 0.40 -1.26 -1.31 117.98 119.23 1qoh s PHE 468 Ca 0.12 -0.90 0.03 0.00 -0.60 0.00 0.00 56.93 55.58 1qoh s PHE 468 Cb -0.12 -1.91 0.02 0.00 0.51 0.00 0.00 43.02 41.52 1qoh s PHE 468 CO 0.02 -0.40 0.58 0.09 0.70 0.00 0.00 175.22 176.21