#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqq s GLU 403 N 0.00 0.70 0.32 1.96 2.02 -1.26 -5.03 118.70 117.42 1rqq s GLU 403 Ca 0.00 -0.74 0.07 0.00 0.02 0.00 0.00 54.97 54.32 1rqq s GLU 403 Cb 0.00 -0.62 0.91 0.00 0.10 0.00 0.00 34.13 34.52 1rqq s GLU 403 CO 0.00 0.14 1.58 1.25 0.02 0.00 0.00 175.26 178.25 1rqq h LEU 404 N 4.74 -0.21 -2.12 1.80 5.85 -1.97 1.16 115.31 124.55 1rqq h LEU 404 Ca -0.37 0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1rqq h LEU 404 Cb 1.19 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 42.63 1rqq h LEU 404 CO 0.42 -0.36 -0.07 0.28 -0.34 0.00 0.00 178.44 178.38 1rqq h SER 405 N 0.03 0.00 -0.00 1.25 0.02 -1.95 -2.78 113.55 110.12 1rqq h SER 405 Ca 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.61 1rqq h SER 405 Cb 1.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.04 1rqq h SER 405 CO -0.86 0.07 -0.00 0.47 -1.14 0.00 0.00 176.83 175.37 1rqq n ASP 406 N -3.90 0.78 -4.89 3.07 8.00 0.40 -4.88 116.55 115.14 1rqq n ASP 406 Ca -0.02 -1.25 -0.36 0.00 0.71 0.00 0.00 54.79 53.87 1rqq n ASP 406 Cb 0.16 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 1rqq n ASP 406 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1rqq s TYR 407 N -2.01 3.59 0.39 1.24 2.02 -1.05 -4.88 117.35 116.64 1rqq s TYR 407 Ca 0.42 0.50 0.20 0.00 -0.37 0.00 0.00 57.07 57.83 1rqq s TYR 407 Cb 0.21 -1.93 1.10 0.00 -0.40 0.00 0.00 41.96 40.94 1rqq s TYR 407 CO 0.35 0.69 1.96 -1.00 -1.57 0.00 0.00 175.55 175.98 1rqq h PRO 408 N 4.45 0.00 -0.00 -1.71 0.13 -1.89 -2.80 132.00 130.17 1rqq h PRO 408 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1rqq h PRO 408 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1rqq h PRO 408 CO 0.63 0.22 -0.09 -2.67 -0.23 0.00 0.00 178.00 175.85 1rqq n TRP 409 N -3.89 0.00 -3.58 1.56 4.27 -1.26 -4.79 117.44 109.75 1rqq n TRP 409 Ca -0.02 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.23 1rqq n TRP 409 Cb 0.31 -0.20 -0.07 0.00 -1.36 0.00 0.00 31.31 29.99 1rqq n TRP 409 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1rqq s PHE 410 N -2.49 3.47 -0.25 -2.67 5.36 -1.06 -1.16 117.98 119.18 1rqq s PHE 410 Ca 0.29 0.57 0.10 0.00 -0.96 0.00 0.00 56.93 56.93 1rqq s PHE 410 Cb 0.20 -2.29 0.45 0.00 -0.34 0.00 0.00 43.02 41.03 1rqq s PHE 410 CO 0.47 0.28 1.19 0.72 -1.46 0.00 0.00 175.22 176.43 1rqq n HIS 411 N 3.43 1.62 0.00 10.12 8.25 0.11 -4.90 115.22 133.84 1rqq n HIS 411 Ca -0.13 -1.91 0.00 0.00 -0.26 0.00 0.00 57.72 55.42 1rqq n HIS 411 Cb 0.52 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1rqq n HIS 411 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rqq n GLY 412 N -0.80 2.10 1.36 -1.41 0.00 -1.26 -1.79 105.19 103.38 1rqq n GLY 412 Ca 0.32 0.27 -0.05 0.00 0.00 0.00 0.00 46.02 46.56 1rqq n GLY 412 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rqq n THR 413 N 0.00 1.65 -1.71 2.61 -2.24 -1.26 -0.76 114.28 112.57 1rqq n THR 413 Ca 0.00 -0.74 -0.43 0.00 -2.27 0.00 0.00 64.05 60.61 1rqq n THR 413 Cb 0.00 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 67.58 1rqq n THR 413 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1rqq n LEU 414 N -0.01 3.89 -4.69 3.22 7.94 -0.74 -4.92 117.00 121.69 1rqq n LEU 414 Ca 0.20 1.05 -0.37 0.00 -1.11 0.00 0.00 56.01 55.79 1rqq n LEU 414 Cb 0.87 -1.55 0.07 0.00 0.53 0.00 0.00 43.42 43.34 1rqq n LEU 414 CO 0.22 0.12 0.77 -0.24 -1.11 0.00 0.00 177.39 177.14 1rqq n SER 415 N 4.14 1.56 -0.26 1.96 2.88 -1.26 -4.76 113.62 117.88 1rqq n SER 415 Ca 0.16 0.81 -0.04 0.00 -1.33 0.00 0.00 58.87 58.48 1rqq n SER 415 Cb 0.34 -1.50 0.13 0.00 -0.75 0.00 0.00 64.21 62.43 1rqq n SER 415 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1rqq h ARG 416 N 0.44 1.11 -0.25 -1.46 0.11 -1.93 0.28 114.38 112.68 1rqq h ARG 416 Ca -0.50 -0.16 -0.01 0.00 0.10 0.00 0.00 59.98 59.41 1rqq h ARG 416 Cb 1.35 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 32.22 1rqq h ARG 416 CO 0.52 0.86 0.12 0.28 0.10 0.00 0.00 179.97 181.85 1rqq h VAL 417 N 1.10 1.14 -0.46 0.08 2.07 -2.00 -0.89 116.25 117.29 1rqq h VAL 417 Ca 0.27 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 1rqq h VAL 417 Cb 0.12 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1rqq h VAL 417 CO -0.03 0.14 -0.07 0.11 0.02 0.00 0.00 177.57 177.74 1rqq h LYS 418 N 0.27 0.81 -0.53 1.57 6.56 -1.81 -2.77 116.57 120.68 1rqq h LYS 418 Ca 0.09 -0.25 -0.02 0.00 -1.06 0.00 0.00 60.65 59.40 1rqq h LYS 418 Cb 0.11 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.67 1rqq h LYS 418 CO -0.01 0.86 0.25 0.00 -2.06 0.00 0.00 179.45 178.49 1rqq h ALA 419 N 1.18 0.68 -0.51 3.86 0.00 -0.17 -1.36 119.26 122.95 1rqq h ALA 419 Ca 0.13 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1rqq h ALA 419 Cb 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1rqq h ALA 419 CO 0.03 0.26 0.33 0.00 0.00 0.00 0.00 179.25 179.87 1rqq h ALA 420 N 1.08 0.64 -0.41 0.00 0.00 -1.05 -1.90 119.26 117.63 1rqq h ALA 420 Ca 0.18 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1rqq h ALA 420 Cb 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1rqq h ALA 420 CO -0.02 0.08 0.12 1.96 0.00 0.00 0.00 179.25 181.39 1rqq h GLN 421 N 0.68 0.26 -0.62 0.00 4.20 -1.19 -0.58 115.11 117.86 1rqq h GLN 421 Ca 0.19 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.89 1rqq h GLN 421 Cb -0.07 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1rqq h GLN 421 CO -0.04 0.17 0.41 1.25 -0.67 0.00 0.00 178.83 179.94 1rqq h LEU 422 N 0.27 0.69 -0.01 1.46 6.46 -0.77 -0.44 115.31 122.97 1rqq h LEU 422 Ca 0.19 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1rqq h LEU 422 Cb 0.20 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1rqq h LEU 422 CO -0.22 0.50 0.00 -0.37 -0.62 0.00 0.00 178.44 177.73 1rqq h VAL 423 N 0.82 0.00 0.00 1.05 -1.51 -0.95 -3.27 116.25 112.39 1rqq h VAL 423 Ca 0.23 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1rqq h VAL 423 Cb -0.07 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1rqq h VAL 423 CO -0.06 0.00 -1.30 0.18 -1.23 0.00 0.00 177.57 175.15 1rqq n LEU 424 N -2.49 0.55 -4.58 4.19 4.77 -0.26 -4.62 117.00 114.56 1rqq n LEU 424 Ca 0.05 -0.14 -0.40 0.00 -0.03 0.00 0.00 56.01 55.49 1rqq n LEU 424 Cb 0.45 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1rqq n LEU 424 CO 0.31 0.08 1.66 0.00 -1.33 0.00 0.00 177.39 178.11 1rqq s ALA 425 N -3.24 2.43 0.00 -1.18 0.00 -0.21 0.36 121.76 119.92 1rqq s ALA 425 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1rqq s ALA 425 Cb 0.15 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1rqq s ALA 425 CO 0.85 -3.35 0.00 0.41 0.00 0.00 0.00 175.76 173.67 1rqq n GLY 426 N 5.63 0.48 7.00 0.00 0.00 -1.26 -4.87 105.19 112.17 1rqq n GLY 426 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1rqq n GLY 426 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqq n GLY 427 N 0.00 0.90 0.01 -0.02 0.00 0.16 -1.72 105.19 104.52 1rqq n GLY 427 Ca 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 46.02 45.40 1rqq n GLY 427 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rqq n PRO 428 N 0.00 0.01 -0.08 1.61 -0.04 -1.26 -1.86 135.00 133.37 1rqq n PRO 428 Ca 0.00 0.48 -0.14 0.00 -0.04 0.00 0.00 63.50 63.81 1rqq n PRO 428 Cb 0.00 -1.55 -0.05 0.00 -0.04 0.00 0.00 33.50 31.86 1rqq n PRO 428 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rqq h ARG 429 N 0.00 0.70 -1.07 0.54 -0.00 -1.74 -2.99 114.38 109.83 1rqq h ARG 429 Ca 0.00 -0.40 -0.22 0.00 -0.50 0.00 0.00 59.98 58.85 1rqq h ARG 429 Cb 0.05 0.03 -0.13 0.00 0.00 0.00 0.00 29.97 29.92 1rqq h ARG 429 CO 0.00 1.02 0.28 -1.13 0.00 0.00 0.00 179.97 180.15 1rqq n SER 430 N -4.23 3.66 -4.67 7.04 3.41 -0.78 -4.93 113.62 113.13 1rqq n SER 430 Ca -0.04 -2.70 -0.45 0.00 -0.26 0.00 0.00 58.87 55.41 1rqq n SER 430 Cb 0.51 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 1rqq n SER 430 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1rqq n HIS 431 N -0.10 2.20 0.00 7.33 -0.00 -1.13 -1.61 115.22 121.91 1rqq n HIS 431 Ca 0.25 0.38 0.00 0.00 0.46 0.00 0.00 57.72 58.81 1rqq n HIS 431 Cb 0.94 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 28.32 1rqq n HIS 431 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1rqq n GLY 432 N 2.57 2.78 3.64 1.57 0.00 -0.10 -5.00 105.19 110.65 1rqq n GLY 432 Ca 0.13 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1rqq n GLY 432 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1rqq n LEU 433 N 0.00 3.13 -3.96 0.99 0.00 -0.63 -4.67 117.00 111.86 1rqq n LEU 433 Ca 0.00 1.06 -0.09 0.00 0.00 0.00 0.00 56.01 56.98 1rqq n LEU 433 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 43.42 41.97 1rqq n LEU 433 CO 0.00 -1.21 0.26 0.72 0.00 0.00 0.00 177.39 177.16 1rqq s PHE 434 N -1.25 0.24 0.06 1.96 -0.12 -1.26 -1.59 117.98 116.01 1rqq s PHE 434 Ca 0.63 -0.63 -0.16 0.00 -0.05 0.00 0.00 56.93 56.71 1rqq s PHE 434 Cb -0.54 0.32 0.03 0.00 -0.63 0.00 0.00 43.02 42.20 1rqq s PHE 434 CO 0.57 -1.07 0.37 0.14 -0.05 0.00 0.00 175.22 175.18 1rqq s VAL 435 N -3.93 0.07 -0.06 -2.49 -7.23 -0.48 -4.98 120.40 101.30 1rqq s VAL 435 Ca 0.20 -0.56 0.05 0.00 -1.81 0.00 0.00 61.98 59.85 1rqq s VAL 435 Cb -0.02 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 1rqq s VAL 435 CO 0.09 -0.31 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.75 1rqq s ILE 436 N -2.72 2.65 0.19 -0.62 1.01 -0.31 -1.18 121.20 120.22 1rqq s ILE 436 Ca -0.04 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 1rqq s ILE 436 Cb -0.00 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 1rqq s ILE 436 CO -0.04 0.58 0.12 0.00 0.00 0.00 0.00 174.94 175.59 1rqq s ARG 437 N -0.45 1.15 0.13 2.79 1.70 -0.41 0.05 118.95 123.91 1rqq s ARG 437 Ca 0.05 -1.58 -0.28 0.00 -0.47 0.00 0.00 55.73 53.44 1rqq s ARG 437 Cb -0.12 0.27 -0.07 0.00 -0.57 0.00 0.00 34.95 34.46 1rqq s ARG 437 CO 0.02 -0.37 0.90 -0.65 -1.08 0.00 0.00 175.30 174.11 1rqq s GLN 438 N -4.13 4.67 0.47 3.89 -0.21 0.06 -0.24 119.66 124.16 1rqq s GLN 438 Ca 0.36 1.35 -0.25 0.00 0.02 0.00 0.00 55.36 56.84 1rqq s GLN 438 Cb 0.07 -3.34 -0.08 0.00 1.00 0.00 0.00 33.01 30.66 1rqq s GLN 438 CO 0.10 0.33 1.43 0.45 -2.12 0.00 0.00 175.29 175.48 1rqq s SER 439 N -0.37 5.74 -0.01 5.90 0.15 -0.08 -4.76 113.70 120.28 1rqq s SER 439 Ca 0.43 2.93 -0.19 0.00 0.70 0.00 0.00 55.95 59.82 1rqq s SER 439 Cb -0.23 -2.65 -0.32 0.00 -1.71 0.00 0.00 66.02 61.11 1rqq s SER 439 CO 0.28 -1.27 0.97 -0.33 1.20 0.00 0.00 173.24 174.10 1rqq h GLU 440 N 2.17 0.42 0.00 5.44 5.08 -1.94 -3.42 114.58 122.34 1rqq h GLU 440 Ca -0.51 -0.67 0.00 0.00 -1.00 0.00 0.00 59.36 57.18 1rqq h GLU 440 Cb 1.27 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1rqq h GLU 440 CO 0.60 1.31 0.00 0.25 -1.00 0.00 0.00 179.01 180.17 1rqq n THR 441 N -3.97 0.00 -2.14 1.13 -2.24 -1.26 -4.78 114.28 101.01 1rqq n THR 441 Ca -0.14 0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.49 1rqq n THR 441 Cb 0.91 -0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 68.19 1rqq n THR 441 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1rqq s ARG 442 N -0.56 3.40 0.43 -0.78 0.52 -1.26 -4.97 118.95 115.72 1rqq s ARG 442 Ca 0.00 1.18 -0.24 0.00 -0.52 0.00 0.00 55.73 56.15 1rqq s ARG 442 Cb 0.00 -4.14 -0.08 0.00 0.52 0.00 0.00 34.95 31.25 1rqq s ARG 442 CO 0.00 -1.79 1.20 -1.25 0.02 0.00 0.00 175.30 173.49 1rqq s PRO 443 N 5.44 3.88 0.00 3.54 0.04 -1.26 -2.92 135.00 143.72 1rqq s PRO 443 Ca 0.72 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1rqq s PRO 443 Cb -0.18 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1rqq s PRO 443 CO 0.33 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1rqq n GLY 444 N 0.59 2.70 3.92 0.56 0.00 -1.26 -4.99 105.19 106.70 1rqq n GLY 444 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1rqq n GLY 444 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rqq s GLU 445 N -0.03 2.82 0.36 1.61 2.02 -1.15 -4.77 118.70 119.57 1rqq s GLU 445 Ca 0.00 -0.04 0.09 0.00 0.02 0.00 0.00 54.97 55.04 1rqq s GLU 445 Cb 0.00 -2.26 -0.07 0.00 0.10 0.00 0.00 34.13 31.90 1rqq s GLU 445 CO 0.00 -0.77 -0.07 0.00 0.02 0.00 0.00 175.26 174.43 1rqq s VAL 447 N -2.63 0.46 -0.36 0.00 1.01 0.66 -1.09 120.40 118.45 1rqq s VAL 447 Ca 0.33 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 1rqq s VAL 447 Cb 0.04 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 36.04 1rqq s VAL 447 CO 0.17 0.12 0.23 -0.22 0.00 0.00 0.00 175.10 175.40 1rqq s LEU 448 N -0.16 4.66 -0.22 3.92 2.96 0.95 -1.28 118.68 129.51 1rqq s LEU 448 Ca 0.02 -0.75 -0.08 0.00 -0.22 0.00 0.00 54.13 53.10 1rqq s LEU 448 Cb -0.02 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1rqq s LEU 448 CO -0.00 -0.33 0.09 -0.89 -1.32 0.00 0.00 176.35 173.90 1rqq s THR 449 N 1.64 4.83 0.12 3.68 2.01 -0.33 -0.31 115.64 127.28 1rqq s THR 449 Ca 0.04 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 1rqq s THR 449 Cb -0.18 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1rqq s THR 449 CO 0.08 0.39 0.04 0.72 -0.69 0.00 0.00 174.62 175.16 1rqq s PHE 450 N 0.92 0.80 -0.33 4.92 -0.12 0.09 -1.39 117.98 122.87 1rqq s PHE 450 Ca 0.05 -1.20 -0.16 0.00 -0.05 0.00 0.00 56.93 55.57 1rqq s PHE 450 Cb -0.14 -0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 41.77 1rqq s PHE 450 CO 0.03 -0.49 0.39 1.21 -0.05 0.00 0.00 175.22 176.31 1rqq s ASN 451 N -3.03 6.22 -0.28 1.98 3.84 -0.62 -0.57 114.94 122.48 1rqq s ASN 451 Ca 0.21 -0.07 0.00 0.00 0.21 0.00 0.00 52.86 53.21 1rqq s ASN 451 Cb 0.08 -2.21 0.05 0.00 -0.55 0.00 0.00 41.25 38.62 1rqq s ASN 451 CO -0.00 -0.33 -0.05 0.12 -2.79 0.00 0.00 177.10 174.05 1rqq s PHE 452 N 2.10 3.26 -1.55 0.43 5.36 0.20 -0.92 117.98 126.85 1rqq s PHE 452 Ca 0.14 -2.08 -0.12 0.00 -0.96 0.00 0.00 56.93 53.91 1rqq s PHE 452 Cb -0.16 -2.02 0.09 0.00 -0.34 0.00 0.00 43.02 40.58 1rqq s PHE 452 CO 0.12 -0.84 0.77 1.04 -1.46 0.00 0.00 175.22 174.85 1rqq n GLN 453 N 4.53 -4.12 0.00 10.12 6.02 -1.26 -0.26 117.38 132.41 1rqq n GLN 453 Ca -0.14 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1rqq n GLN 453 Cb 0.43 -5.12 0.00 0.00 1.02 0.00 0.00 30.24 26.57 1rqq n GLN 453 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rqq n GLY 454 N -1.63 2.18 3.81 1.08 0.00 -1.26 -4.65 105.19 104.71 1rqq n GLY 454 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1rqq n GLY 454 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rqq s LYS 455 N -0.28 3.23 0.01 1.61 3.01 0.65 -4.76 119.74 123.21 1rqq s LYS 455 Ca 0.00 -0.30 -0.24 0.00 -1.01 0.00 0.00 55.97 54.42 1rqq s LYS 455 Cb 0.00 -3.00 -0.05 0.00 -1.01 0.00 0.00 37.83 33.77 1rqq s LYS 455 CO 0.00 0.72 0.71 0.00 0.51 0.00 0.00 175.35 177.29 1rqq s ALA 456 N -1.06 3.39 0.05 5.17 0.00 -1.26 0.60 121.76 128.65 1rqq s ALA 456 Ca 0.18 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.38 1rqq s ALA 456 Cb -0.12 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 1rqq s ALA 456 CO 0.07 0.06 -0.16 0.15 0.00 0.00 0.00 175.76 175.88 1rqq s LYS 457 N 0.09 1.03 -0.14 0.00 -0.14 0.27 -4.95 119.74 115.90 1rqq s LYS 457 Ca 0.37 -0.83 0.01 0.00 -1.36 0.00 0.00 55.97 54.16 1rqq s LYS 457 Cb -0.19 -1.07 0.02 0.00 -1.68 0.00 0.00 37.83 34.90 1rqq s LYS 457 CO 0.21 0.26 -0.15 -1.01 -0.76 0.00 0.00 175.35 173.90 1rqq s HIS 458 N -0.88 2.16 -0.21 3.18 3.76 -1.26 -0.73 115.29 121.30 1rqq s HIS 458 Ca 0.03 -1.16 -0.03 0.00 -0.15 0.00 0.00 55.06 53.74 1rqq s HIS 458 Cb -0.08 -1.57 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 1rqq s HIS 458 CO 0.02 -0.62 -0.05 -1.17 -0.85 0.00 0.00 174.74 172.06 1rqq s LEU 459 N 1.34 2.86 0.10 0.89 2.96 0.58 -4.93 118.68 122.48 1rqq s LEU 459 Ca 0.02 -0.39 -0.30 0.00 -0.22 0.00 0.00 54.13 53.23 1rqq s LEU 459 Cb -0.13 -1.72 -0.06 0.00 0.50 0.00 0.00 46.19 44.77 1rqq s LEU 459 CO -0.08 -0.00 1.17 -0.13 -1.32 0.00 0.00 176.35 175.98 1rqq s ARG 460 N 1.38 4.48 0.32 1.98 0.52 -1.26 -0.04 118.95 126.33 1rqq s ARG 460 Ca 0.05 1.76 0.09 0.00 -0.52 0.00 0.00 55.73 57.11 1rqq s ARG 460 Cb -0.14 -3.32 -0.06 0.00 0.52 0.00 0.00 34.95 31.94 1rqq s ARG 460 CO -0.03 -0.16 -0.11 -0.51 0.02 0.00 0.00 175.30 174.51 1rqq s LEU 461 N 0.60 2.66 -0.69 2.53 1.43 -0.25 -4.93 118.68 120.03 1rqq s LEU 461 Ca 0.56 -1.16 -0.08 0.00 -1.03 0.00 0.00 54.13 52.42 1rqq s LEU 461 Cb -0.30 -0.95 0.18 0.00 0.03 0.00 0.00 46.19 45.15 1rqq s LEU 461 CO 0.31 -0.18 0.55 -0.94 0.23 0.00 0.00 176.35 176.33 1rqq s SER 462 N -3.56 5.86 0.14 2.29 1.04 -1.26 -3.54 113.70 114.67 1rqq s SER 462 Ca 0.31 -2.70 0.02 0.00 0.48 0.00 0.00 55.95 54.06 1rqq s SER 462 Cb 0.01 -2.01 -0.01 0.00 0.10 0.00 0.00 66.02 64.12 1rqq s SER 462 CO 0.15 -0.48 0.06 -0.11 0.98 0.00 0.00 173.24 173.84 1rqq n LEU 463 N 3.81 0.00 -1.06 2.42 7.94 -1.26 -5.02 117.00 123.83 1rqq n LEU 463 Ca 0.08 -1.10 0.00 0.00 -1.11 0.00 0.00 56.01 53.88 1rqq n LEU 463 Cb 0.42 0.40 0.00 0.00 0.53 0.00 0.00 43.42 44.76 1rqq n LEU 463 CO 0.35 -0.17 0.00 0.59 -1.11 0.00 0.00 177.39 177.04 1rqq n ASN 464 N -1.97 -1.41 -3.33 1.96 5.03 -1.26 -4.73 115.26 109.55 1rqq n ASN 464 Ca -0.01 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.13 1rqq n ASN 464 Cb 0.22 -0.71 0.01 0.00 -1.02 0.00 0.00 39.78 38.28 1rqq n ASN 464 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rqq n GLY 467 N -0.35 -2.83 3.09 7.41 0.00 -1.26 -4.89 105.19 106.36 1rqq n GLY 467 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1rqq n GLY 467 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rqq n GLN 468 N 1.38 -0.20 -0.21 1.61 6.02 -1.26 -4.83 117.38 119.89 1rqq n GLN 468 Ca 0.04 0.05 0.11 0.00 -0.01 0.00 0.00 57.00 57.20 1rqq n GLN 468 Cb 0.39 -3.37 0.22 0.00 1.02 0.00 0.00 30.24 28.50 1rqq n GLN 468 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rqq h HIS 470 N 4.17 0.15 -0.34 0.00 6.17 -1.96 -1.12 115.15 122.21 1rqq h HIS 470 Ca 0.00 0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.06 1rqq h HIS 470 Cb 0.95 -0.04 -0.02 0.00 2.52 0.00 0.00 27.41 30.82 1rqq h HIS 470 CO 0.28 0.08 0.08 0.28 0.71 0.00 0.00 177.93 179.36 1rqq h VAL 471 N 0.19 1.16 -0.53 5.26 2.07 -2.00 0.17 116.25 122.57 1rqq h VAL 471 Ca 0.09 -0.57 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 1rqq h VAL 471 Cb 0.05 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1rqq h VAL 471 CO -0.08 0.20 -0.07 -0.61 0.02 0.00 0.00 177.57 177.04 1rqq h GLN 472 N 0.49 0.95 -0.79 1.57 4.15 -1.75 -0.55 115.11 119.19 1rqq h GLN 472 Ca 0.12 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 1rqq h GLN 472 Cb 0.19 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 1rqq h GLN 472 CO -0.00 0.98 0.41 0.45 -1.93 0.00 0.00 178.83 178.74 1rqq h HIS 473 N 0.86 1.10 -0.55 3.99 3.86 0.18 -1.62 115.15 122.97 1rqq h HIS 473 Ca 0.15 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1rqq h HIS 473 Cb 0.60 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1rqq h HIS 473 CO 0.04 0.78 0.24 -0.07 0.86 0.00 0.00 177.93 179.77 1rqq h LEU 474 N 1.11 0.74 0.06 2.43 3.38 -0.21 -0.36 115.31 122.46 1rqq h LEU 474 Ca 0.28 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1rqq h LEU 474 Cb 0.06 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1rqq h LEU 474 CO -0.04 0.69 -0.25 -0.25 0.09 0.00 0.00 178.44 178.68 1rqq h TRP 475 N 0.75 -0.68 -0.28 1.13 -0.00 -0.38 -0.37 115.95 116.12 1rqq h TRP 475 Ca 0.19 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 59.07 1rqq h TRP 475 Cb 0.16 0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 29.60 1rqq h TRP 475 CO 0.00 -0.35 0.04 0.74 -0.00 0.00 0.00 178.44 178.87 1rqq h PHE 476 N -0.43 0.41 -0.45 2.65 0.04 -1.10 -2.11 116.94 115.95 1rqq h PHE 476 Ca 0.05 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 1rqq h PHE 476 Cb 0.48 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 1rqq h PHE 476 CO -0.26 0.38 0.13 0.37 -0.60 0.00 0.00 178.31 178.33 1rqq h GLN 477 N 0.40 0.70 -0.57 1.51 5.75 -0.35 -0.41 115.11 122.14 1rqq h GLN 477 Ca 0.09 -0.15 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 1rqq h GLN 477 Cb 0.20 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 1rqq h GLN 477 CO 0.00 0.68 0.21 0.66 -2.65 0.00 0.00 178.83 177.73 1rqq h SER 478 N 0.58 0.77 -0.20 -0.69 4.64 -0.53 0.45 113.55 118.56 1rqq h SER 478 Ca 0.14 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1rqq h SER 478 Cb 0.28 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1rqq h SER 478 CO -0.00 0.71 -0.10 0.58 -0.87 0.00 0.00 176.83 177.15 1rqq h VAL 479 N 0.82 1.31 -0.74 0.95 2.07 -1.09 -1.95 116.25 117.62 1rqq h VAL 479 Ca 0.19 -1.15 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1rqq h VAL 479 Cb 0.19 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1rqq h VAL 479 CO -0.01 0.35 0.48 0.15 0.02 0.00 0.00 177.57 178.56 1rqq h PHE 480 N 0.12 0.77 -0.49 1.57 3.57 -0.51 -1.11 116.94 120.86 1rqq h PHE 480 Ca 0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1rqq h PHE 480 Cb 0.58 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1rqq h PHE 480 CO 0.06 0.40 0.25 -0.44 -2.23 0.00 0.00 178.31 176.35 1rqq h ASP 481 N 0.76 0.64 -0.40 0.41 3.32 0.38 -0.40 116.42 121.14 1rqq h ASP 481 Ca 0.32 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 1rqq h ASP 481 Cb 0.27 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1rqq h ASP 481 CO -0.11 0.58 0.06 0.24 -1.72 0.00 0.00 179.24 178.29 1rqq h MET 482 N 0.65 0.74 0.67 3.56 2.86 -0.53 -3.06 114.93 119.82 1rqq h MET 482 Ca 0.17 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1rqq h MET 482 Cb 0.10 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.66 1rqq h MET 482 CO -0.02 0.71 -0.32 -0.07 1.06 0.00 0.00 176.91 178.26 1rqq h LEU 483 N 0.71 -0.76 -0.92 1.22 3.38 -0.66 -2.68 115.31 115.60 1rqq h LEU 483 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1rqq h LEU 483 Cb 0.34 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1rqq h LEU 483 CO 0.01 -0.49 0.64 0.08 0.09 0.00 0.00 178.44 178.77 1rqq h ARG 484 N -1.00 0.00 -1.33 1.13 0.11 -0.98 -0.35 114.38 111.96 1rqq h ARG 484 Ca -0.09 0.00 -0.43 0.00 0.10 0.00 0.00 59.98 59.56 1rqq h ARG 484 Cb 0.72 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 31.61 1rqq h ARG 484 CO 0.15 0.00 0.56 0.72 0.10 0.00 0.00 179.97 181.50 1rqq n HIS 485 N -2.57 2.09 -0.90 4.08 -0.00 -1.01 -5.12 115.22 111.80 1rqq n HIS 485 Ca -0.01 -2.25 0.00 0.00 -0.00 0.00 0.00 57.72 55.46 1rqq n HIS 485 Cb 0.66 -1.09 0.00 0.00 -0.00 0.00 0.00 29.99 29.56 1rqq n HIS 485 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53