#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 2.39 0.14 1.96 2.02 -1.26 -5.00 118.70 118.96 1rqq s GLU 403 Ca 0.00 -0.86 0.04 0.00 0.02 0.00 0.00 54.97 54.17 1rqq s GLU 403 Cb 0.00 -2.43 0.42 0.00 0.10 0.00 0.00 34.13 32.21 1rqq s GLU 403 CO 0.00 0.56 0.67 -0.11 0.02 0.00 0.00 175.26 176.40 1rqq n LEU 404 N 1.07 0.02 0.26 1.80 7.94 -1.26 0.33 117.00 127.17 1rqq n LEU 404 Ca -0.14 0.72 0.11 0.00 -1.11 0.00 0.00 56.01 55.59 1rqq n LEU 404 Cb 0.52 -0.29 0.71 0.00 0.53 0.00 0.00 43.42 44.89 1rqq n LEU 404 CO 0.33 -0.76 1.00 0.28 -1.11 0.00 0.00 177.39 177.13 1rqq h SER 405 N 0.00 0.00 -0.06 1.96 0.02 -1.95 -2.85 113.55 110.67 1rqq h SER 405 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1rqq h SER 405 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1rqq h SER 405 CO -0.38 0.10 0.00 0.47 -1.14 0.00 0.00 176.83 175.88 1rqq n ASP 406 N -3.95 0.99 -4.86 3.07 8.00 1.01 -4.87 116.55 115.94 1rqq n ASP 406 Ca -0.02 -1.46 -0.37 0.00 0.71 0.00 0.00 54.79 53.65 1rqq n ASP 406 Cb 0.19 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.93 3.57 0.40 1.24 2.02 -1.08 -4.79 117.35 116.79 1rqq s TYR 407 Ca 0.36 0.51 0.27 0.00 -0.37 0.00 0.00 57.07 57.84 1rqq s TYR 407 Cb 0.18 -1.95 1.42 0.00 -0.40 0.00 0.00 41.96 41.22 1rqq s TYR 407 CO 0.30 0.70 2.06 -1.00 -1.57 0.00 0.00 175.55 176.04 1rqq h PRO 408 N 5.09 0.00 -0.00 -1.71 0.13 -1.89 -2.64 132.00 130.97 1rqq h PRO 408 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1rqq h PRO 408 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1rqq h PRO 408 CO 0.59 0.12 -0.12 -2.67 -0.23 0.00 0.00 178.00 175.69 1rqq n TRP 409 N -3.65 0.00 -3.53 1.56 4.27 -1.26 -4.79 117.44 110.04 1rqq n TRP 409 Ca -0.02 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.23 1rqq n TRP 409 Cb 0.24 -0.17 -0.08 0.00 -1.36 0.00 0.00 31.31 29.95 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 -2.46 3.41 -0.28 -2.67 2.19 -1.00 -1.12 117.98 116.06 1rqq s PHE 410 Ca 0.29 0.53 0.08 0.00 0.33 0.00 0.00 56.93 58.16 1rqq s PHE 410 Cb 0.20 -2.37 0.46 0.00 -1.31 0.00 0.00 43.02 39.99 1rqq s PHE 410 CO 0.48 0.15 1.19 0.72 1.83 0.00 0.00 175.22 179.58 1rqq n HIS 411 N 3.93 2.27 0.00 10.12 8.25 0.80 -4.90 115.22 135.69 1rqq n HIS 411 Ca -0.12 -2.10 0.00 0.00 -0.26 0.00 0.00 57.72 55.24 1rqq n HIS 411 Cb 0.52 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 -0.76 1.78 0.97 -1.41 0.00 -1.26 -1.73 105.19 102.78 1rqq n GLY 412 Ca 0.39 0.28 0.01 0.00 0.00 0.00 0.00 46.02 46.70 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 0.93 -1.69 2.61 -2.24 -1.26 -0.88 114.28 111.74 1rqq n THR 413 Ca 0.00 -0.45 -0.44 0.00 -2.27 0.00 0.00 64.05 60.90 1rqq n THR 413 Cb 0.00 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 67.73 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 0.18 3.68 -4.72 3.22 7.94 -0.70 -4.92 117.00 121.67 1rqq n LEU 414 Ca 0.09 1.05 -0.36 0.00 -1.11 0.00 0.00 56.01 55.68 1rqq n LEU 414 Cb 0.57 -1.51 0.09 0.00 0.53 0.00 0.00 43.42 43.10 1rqq n LEU 414 CO 0.11 0.01 0.86 -0.94 -1.11 0.00 0.00 177.39 176.33 1rqq s SER 415 N 1.57 4.27 0.28 1.96 1.04 -1.26 -4.76 113.70 116.80 1rqq s SER 415 Ca 0.79 2.55 -0.01 0.00 0.48 0.00 0.00 55.95 59.75 1rqq s SER 415 Cb -0.57 -2.61 0.40 0.00 0.10 0.00 0.00 66.02 63.34 1rqq s SER 415 CO 0.36 -2.23 1.83 0.08 0.98 0.00 0.00 173.24 174.27 1rqq h ARG 416 N 0.08 0.84 -0.14 4.02 0.11 -1.93 0.29 114.38 117.65 1rqq h ARG 416 Ca -0.49 -0.17 -0.01 0.00 0.10 0.00 0.00 59.98 59.41 1rqq h ARG 416 Cb 1.32 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 1rqq h ARG 416 CO 0.51 0.74 0.06 0.28 0.10 0.00 0.00 179.97 181.66 1rqq h VAL 417 N 0.81 1.15 -0.18 0.08 2.07 -2.00 -1.01 116.25 117.17 1rqq h VAL 417 Ca 0.18 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1rqq h VAL 417 Cb 0.28 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1rqq h VAL 417 CO -0.00 0.14 -0.31 0.11 0.02 0.00 0.00 177.57 177.53 1rqq h LYS 418 N 0.07 0.36 -0.60 1.57 1.57 -1.82 -2.75 116.57 114.97 1rqq h LYS 418 Ca 0.05 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1rqq h LYS 418 Cb 0.18 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1rqq h LYS 418 CO -0.00 0.64 0.16 0.00 -0.57 0.00 0.00 179.45 179.68 1rqq h ALA 419 N 1.36 0.79 -0.57 3.86 0.00 -0.16 -1.40 119.26 123.14 1rqq h ALA 419 Ca 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1rqq h ALA 419 Cb 0.71 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1rqq h ALA 419 CO 0.05 0.49 0.29 0.00 0.00 0.00 0.00 179.25 180.08 1rqq h ALA 420 N 1.04 0.74 -0.52 0.00 0.00 -1.04 -2.08 119.26 117.39 1rqq h ALA 420 Ca 0.19 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1rqq h ALA 420 Cb 0.33 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1rqq h ALA 420 CO -0.00 0.29 0.28 1.96 0.00 0.00 0.00 179.25 181.78 1rqq h GLN 421 N 0.78 0.52 -0.46 0.00 4.20 -1.18 -0.58 115.11 118.38 1rqq h GLN 421 Ca 0.20 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.90 1rqq h GLN 421 Cb 0.10 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1rqq h GLN 421 CO -0.03 0.35 0.26 1.25 -0.67 0.00 0.00 178.83 179.99 1rqq h LEU 422 N 0.54 0.41 -0.06 1.46 6.46 -0.84 -0.37 115.31 122.91 1rqq h LEU 422 Ca 0.23 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1rqq h LEU 422 Cb 0.12 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1rqq h LEU 422 CO -0.15 0.29 0.00 -0.37 -0.62 0.00 0.00 178.44 177.60 1rqq h VAL 423 N 0.53 0.00 0.00 1.05 -1.51 -1.01 -3.26 116.25 112.05 1rqq h VAL 423 Ca 0.19 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1rqq h VAL 423 Cb 0.04 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1rqq h VAL 423 CO -0.10 0.00 -1.37 0.18 -1.23 0.00 0.00 177.57 175.05 1rqq n LEU 424 N -2.41 0.51 -4.58 4.19 4.77 -0.26 -4.61 117.00 114.62 1rqq n LEU 424 Ca 0.05 -0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.47 1rqq n LEU 424 Cb 0.43 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1rqq n LEU 424 CO 0.30 0.09 1.65 0.00 -1.33 0.00 0.00 177.39 178.10 1rqq s ALA 425 N -3.26 2.49 0.00 -1.18 0.00 -0.19 0.32 121.76 119.95 1rqq s ALA 425 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1rqq s ALA 425 Cb 0.15 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1rqq s ALA 425 CO 0.86 -3.25 0.00 0.41 0.00 0.00 0.00 175.76 173.78 1rqq n GLY 426 N 5.61 0.48 7.00 0.00 0.00 -1.26 -4.87 105.19 112.16 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 0.06 -0.02 0.00 0.15 -1.77 105.19 104.51 1rqq n GLY 427 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 46.02 45.43 1rqq n GLY 427 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rqq n PRO 428 N 0.00 0.04 -0.10 1.61 -0.02 -1.26 -1.79 135.00 133.48 1rqq n PRO 428 Ca 0.00 0.51 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 1rqq n PRO 428 Cb 0.00 -1.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1rqq n PRO 428 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rqq h ARG 429 N 0.00 0.78 -0.95 -0.52 3.08 -1.75 -2.93 114.38 112.09 1rqq h ARG 429 Ca 0.00 -0.41 -0.10 0.00 0.07 0.00 0.00 59.98 59.54 1rqq h ARG 429 Cb 0.10 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 1rqq h ARG 429 CO 0.00 1.04 0.13 -1.13 -1.07 0.00 0.00 179.97 178.93 1rqq n SER 430 N -4.20 2.95 -4.64 7.04 3.41 -0.74 -4.93 113.62 112.52 1rqq n SER 430 Ca -0.03 -2.42 -0.47 0.00 -0.26 0.00 0.00 58.87 55.69 1rqq n SER 430 Cb 0.49 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.07 1.89 0.00 7.33 -0.00 -1.11 -1.40 115.22 122.00 1rqq n HIS 431 Ca 0.15 0.48 0.00 0.00 0.46 0.00 0.00 57.72 58.81 1rqq n HIS 431 Cb 0.75 -2.42 0.00 0.00 -0.12 0.00 0.00 29.99 28.20 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 2.49 3.13 3.67 1.57 0.00 0.01 -5.00 105.19 111.06 1rqq n GLY 432 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 3.73 -3.93 0.99 0.00 -0.49 -4.69 117.00 112.60 1rqq n LEU 433 Ca 0.00 1.03 -0.09 0.00 0.00 0.00 0.00 56.01 56.96 1rqq n LEU 433 Cb 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 43.42 41.93 1rqq n LEU 433 CO 0.00 -1.05 0.26 0.72 0.00 0.00 0.00 177.39 177.32 1rqq s PHE 434 N -1.27 0.16 0.05 1.96 -0.12 -1.26 -1.69 117.98 115.80 1rqq s PHE 434 Ca 0.65 -0.54 -0.14 0.00 -0.05 0.00 0.00 56.93 56.84 1rqq s PHE 434 Cb -0.50 0.34 0.02 0.00 -0.63 0.00 0.00 43.02 42.26 1rqq s PHE 434 CO 0.55 -1.04 0.32 0.14 -0.05 0.00 0.00 175.22 175.14 1rqq s VAL 435 N -3.97 0.08 -0.08 -2.49 -7.23 -0.47 -4.99 120.40 101.26 1rqq s VAL 435 Ca 0.18 -0.68 0.03 0.00 -1.81 0.00 0.00 61.98 59.70 1rqq s VAL 435 Cb -0.02 -0.98 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 1rqq s VAL 435 CO 0.07 -0.37 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.71 1rqq s ILE 436 N -2.73 2.97 0.19 -0.62 -1.09 -0.28 -1.28 121.20 118.36 1rqq s ILE 436 Ca -0.04 -0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 57.63 1rqq s ILE 436 Cb -0.00 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 1rqq s ILE 436 CO -0.04 0.57 0.13 0.00 -1.23 0.00 0.00 174.94 174.37 1rqq s ARG 437 N -0.32 1.17 0.08 2.79 1.70 -0.22 -0.14 118.95 124.01 1rqq s ARG 437 Ca 0.03 -1.59 -0.27 0.00 -0.47 0.00 0.00 55.73 53.43 1rqq s ARG 437 Cb -0.13 0.27 -0.06 0.00 -0.57 0.00 0.00 34.95 34.47 1rqq s ARG 437 CO 0.02 -0.38 0.85 -0.65 -1.08 0.00 0.00 175.30 174.07 1rqq s GLN 438 N -4.14 4.59 0.44 3.89 -0.21 -0.06 -0.00 119.66 124.17 1rqq s GLN 438 Ca 0.36 1.24 -0.25 0.00 0.02 0.00 0.00 55.36 56.72 1rqq s GLN 438 Cb 0.07 -3.36 -0.09 0.00 1.00 0.00 0.00 33.01 30.62 1rqq s GLN 438 CO 0.10 0.27 1.38 0.45 -2.12 0.00 0.00 175.29 175.37 1rqq n SER 439 N 2.74 3.07 0.12 5.90 2.88 -0.15 -4.77 113.62 123.42 1rqq n SER 439 Ca -0.01 1.12 -0.24 0.00 -1.33 0.00 0.00 58.87 58.42 1rqq n SER 439 Cb 0.50 -1.57 -0.16 0.00 -0.75 0.00 0.00 64.21 62.23 1rqq n SER 439 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1rqq h GLU 440 N 2.25 0.49 0.00 -1.46 5.08 -1.94 -3.42 114.58 115.58 1rqq h GLU 440 Ca -0.50 -0.83 0.00 0.00 -1.00 0.00 0.00 59.36 57.03 1rqq h GLU 440 Cb 1.28 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1rqq h GLU 440 CO 0.61 1.40 0.00 0.25 -1.00 0.00 0.00 179.01 180.27 1rqq n THR 441 N -3.80 0.00 -2.10 1.13 -2.24 -1.26 -4.77 114.28 101.23 1rqq n THR 441 Ca -0.17 0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 1rqq n THR 441 Cb 1.05 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.40 3.27 0.45 -0.78 3.00 -1.26 -4.97 118.95 118.26 1rqq s ARG 442 Ca 0.00 1.14 -0.23 0.00 0.00 0.00 0.00 55.73 56.64 1rqq s ARG 442 Cb 0.00 -4.19 -0.07 0.00 0.00 0.00 0.00 34.95 30.69 1rqq s ARG 442 CO 0.00 -1.94 1.18 -1.25 0.00 0.00 0.00 175.30 173.28 1rqq s PRO 443 N 5.73 3.78 0.00 3.54 0.04 -1.26 -2.95 135.00 143.88 1rqq s PRO 443 Ca 0.72 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1rqq s PRO 443 Cb -0.18 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1rqq s PRO 443 CO 0.31 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1rqq n GLY 444 N 0.48 2.77 3.92 0.56 0.00 -1.26 -5.00 105.19 106.67 1rqq n GLY 444 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.07 2.79 0.36 1.61 2.02 -1.15 -4.76 118.70 119.50 1rqq s GLU 445 Ca 0.00 -0.11 0.07 0.00 0.02 0.00 0.00 54.97 54.95 1rqq s GLU 445 Cb 0.00 -2.28 -0.07 0.00 0.10 0.00 0.00 34.13 31.88 1rqq s GLU 445 CO 0.00 -0.77 -0.02 0.00 0.02 0.00 0.00 175.26 174.49 1rqq s VAL 447 N -2.80 0.52 -0.34 0.00 1.01 1.00 -1.15 120.40 118.65 1rqq s VAL 447 Ca 0.34 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.81 1rqq s VAL 447 Cb 0.07 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 36.00 1rqq s VAL 447 CO 0.16 0.06 0.16 -0.22 0.00 0.00 0.00 175.10 175.27 1rqq s LEU 448 N -0.39 4.34 -0.20 3.92 2.96 0.92 -1.06 118.68 129.17 1rqq s LEU 448 Ca 0.01 -0.77 -0.07 0.00 -0.22 0.00 0.00 54.13 53.07 1rqq s LEU 448 Cb -0.04 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1rqq s LEU 448 CO -0.00 -0.28 0.06 -0.89 -1.32 0.00 0.00 176.35 173.92 1rqq s THR 449 N 1.56 4.59 0.11 3.68 2.01 -0.40 -0.13 115.64 127.06 1rqq s THR 449 Ca 0.03 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 1rqq s THR 449 Cb -0.18 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1rqq s THR 449 CO 0.06 0.42 0.06 0.72 -0.69 0.00 0.00 174.62 175.19 1rqq s PHE 450 N 0.77 0.70 -0.33 4.92 -0.12 0.24 -1.36 117.98 122.80 1rqq s PHE 450 Ca 0.03 -1.12 -0.15 0.00 -0.05 0.00 0.00 56.93 55.65 1rqq s PHE 450 Cb -0.14 -0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 41.84 1rqq s PHE 450 CO 0.02 -0.50 0.34 1.21 -0.05 0.00 0.00 175.22 176.24 1rqq s ASN 451 N -3.00 6.17 -0.27 1.98 3.84 -0.68 -0.31 114.94 122.66 1rqq s ASN 451 Ca 0.18 -0.18 0.00 0.00 0.21 0.00 0.00 52.86 53.08 1rqq s ASN 451 Cb 0.07 -2.19 0.05 0.00 -0.55 0.00 0.00 41.25 38.63 1rqq s ASN 451 CO -0.02 -0.29 -0.06 0.12 -2.79 0.00 0.00 177.10 174.06 1rqq s PHE 452 N 1.98 3.23 -1.54 0.43 5.36 0.19 -0.81 117.98 126.82 1rqq s PHE 452 Ca 0.11 -2.04 -0.12 0.00 -0.96 0.00 0.00 56.93 53.93 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 0.11 -0.83 0.84 1.04 -1.46 0.00 0.00 175.22 174.92 1rqq n GLN 453 N 4.54 -4.59 -0.13 10.12 6.02 -1.26 -0.53 117.38 131.55 1rqq n GLN 453 Ca -0.14 0.52 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 1rqq n GLN 453 Cb 0.43 -5.24 0.00 0.00 1.02 0.00 0.00 30.24 26.45 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 -1.64 2.25 3.84 1.08 0.00 -1.26 -4.65 105.19 104.81 1rqq n GLY 454 Ca -0.03 0.00 -0.37 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 -0.17 3.40 0.05 1.61 1.02 0.31 -4.76 119.74 121.20 1rqq s LYS 455 Ca 0.00 -0.18 -0.24 0.00 0.02 0.00 0.00 55.97 55.58 1rqq s LYS 455 Cb 0.00 -3.14 -0.06 0.00 -0.52 0.00 0.00 37.83 34.11 1rqq s LYS 455 CO 0.00 0.75 0.71 0.00 -0.92 0.00 0.00 175.35 175.89 1rqq s ALA 456 N -0.95 3.42 0.05 5.17 0.00 -1.26 0.53 121.76 128.72 1rqq s ALA 456 Ca 0.14 0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.38 1rqq s ALA 456 Cb -0.12 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 1rqq s ALA 456 CO 0.04 0.13 -0.17 0.15 0.00 0.00 0.00 175.76 175.91 1rqq s LYS 457 N -0.27 1.10 -0.14 0.00 -0.14 0.57 -4.94 119.74 115.91 1rqq s LYS 457 Ca 0.36 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 54.07 1rqq s LYS 457 Cb -0.20 -1.18 0.02 0.00 -1.68 0.00 0.00 37.83 34.79 1rqq s LYS 457 CO 0.22 0.29 -0.13 -1.01 -0.76 0.00 0.00 175.35 173.95 1rqq s HIS 458 N -0.93 2.06 -0.20 3.18 3.76 -1.26 -0.59 115.29 121.30 1rqq s HIS 458 Ca 0.04 -1.14 -0.03 0.00 -0.15 0.00 0.00 55.06 53.78 1rqq s HIS 458 Cb -0.09 -1.53 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 1rqq s HIS 458 CO 0.02 -0.64 -0.07 -1.17 -0.85 0.00 0.00 174.74 172.03 1rqq s LEU 459 N 1.50 2.78 0.12 0.89 2.96 0.82 -4.94 118.68 122.81 1rqq s LEU 459 Ca 0.04 -0.41 -0.30 0.00 -0.22 0.00 0.00 54.13 53.24 1rqq s LEU 459 Cb -0.13 -1.69 -0.06 0.00 0.50 0.00 0.00 46.19 44.81 1rqq s LEU 459 CO -0.10 0.01 1.11 -0.13 -1.32 0.00 0.00 176.35 175.91 1rqq s ARG 460 N 1.31 4.55 0.30 1.98 0.52 -1.26 -0.06 118.95 126.29 1rqq s ARG 460 Ca 0.04 1.68 0.11 0.00 -0.52 0.00 0.00 55.73 57.04 1rqq s ARG 460 Cb -0.14 -3.33 -0.06 0.00 0.52 0.00 0.00 34.95 31.95 1rqq s ARG 460 CO -0.03 -0.03 -0.16 -0.51 0.02 0.00 0.00 175.30 174.58 1rqq s LEU 461 N 0.24 2.64 -0.76 2.53 1.43 -0.30 -4.93 118.68 119.53 1rqq s LEU 461 Ca 0.52 -1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 52.46 1rqq s LEU 461 Cb -0.28 -1.06 0.20 0.00 0.03 0.00 0.00 46.19 45.08 1rqq s LEU 461 CO 0.32 -0.05 0.64 -0.44 0.23 0.00 0.00 176.35 177.05 1rqq s SER 462 N -3.54 6.02 0.13 2.29 0.01 -1.26 -3.56 113.70 113.78 1rqq s SER 462 Ca 0.31 -2.91 0.01 0.00 1.31 0.00 0.00 55.95 54.67 1rqq s SER 462 Cb -0.02 -2.02 -0.00 0.00 0.21 0.00 0.00 66.02 64.18 1rqq s SER 462 CO 0.15 -0.43 0.04 -0.11 0.41 0.00 0.00 173.24 173.31 1rqq n LEU 463 N 3.53 0.00 -1.06 2.44 7.94 -1.26 -5.02 117.00 123.57 1rqq n LEU 463 Ca 0.12 -0.96 0.00 0.00 -1.11 0.00 0.00 56.01 54.07 1rqq n LEU 463 Cb 0.42 0.30 0.00 0.00 0.53 0.00 0.00 43.42 44.66 1rqq n LEU 463 CO 0.34 -0.15 0.00 0.59 -1.11 0.00 0.00 177.39 177.06 1rqq n ASN 464 N -1.83 -1.41 -4.44 1.96 3.02 -1.26 -4.73 115.26 106.56 1rqq n ASN 464 Ca -0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.20 1rqq n ASN 464 Cb 0.19 -0.70 0.13 0.00 -0.61 0.00 0.00 39.78 38.78 1rqq n ASN 464 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rqq n GLY 467 N 0.05 -1.83 2.55 7.41 0.00 -1.26 -4.88 105.19 107.23 1rqq n GLY 467 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1rqq n GLY 467 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqq n GLN 468 N -1.98 0.00 -0.18 1.61 0.00 -1.26 -4.87 117.38 110.70 1rqq n GLN 468 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 57.00 57.19 1rqq n GLN 468 Cb 0.53 -2.05 0.21 0.00 0.00 0.00 0.00 30.24 28.93 1rqq n GLN 468 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1rqq h HIS 470 N 4.38 0.03 -0.47 0.00 2.76 -1.94 -1.42 115.15 118.48 1rqq h HIS 470 Ca 0.00 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 1rqq h HIS 470 Cb 0.97 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.91 1rqq h HIS 470 CO 0.24 0.01 0.18 0.28 -1.30 0.00 0.00 177.93 177.34 1rqq h VAL 471 N 0.07 1.18 -0.63 5.26 2.07 -2.00 0.17 116.25 122.38 1rqq h VAL 471 Ca 0.06 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 1rqq h VAL 471 Cb 0.05 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1rqq h VAL 471 CO -0.08 0.22 0.12 -0.61 0.02 0.00 0.00 177.57 177.23 1rqq h GLN 472 N 0.66 1.01 -0.77 1.57 4.15 -1.78 -0.28 115.11 119.67 1rqq h GLN 472 Ca 0.16 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1rqq h GLN 472 Cb 0.14 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 1rqq h GLN 472 CO -0.02 0.92 0.49 0.45 -1.93 0.00 0.00 178.83 178.74 1rqq h HIS 473 N 0.95 0.99 -0.40 3.99 3.86 0.01 -1.70 115.15 122.85 1rqq h HIS 473 Ca 0.20 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1rqq h HIS 473 Cb 0.39 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1rqq h HIS 473 CO 0.03 0.64 0.22 -0.07 0.86 0.00 0.00 177.93 179.61 1rqq h LEU 474 N 1.05 0.51 -0.08 2.43 3.38 -0.19 -0.60 115.31 121.81 1rqq h LEU 474 Ca 0.28 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1rqq h LEU 474 Cb -0.09 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 1rqq h LEU 474 CO -0.06 0.45 -0.28 -0.25 0.09 0.00 0.00 178.44 178.39 1rqq h TRP 475 N 0.52 -0.76 -0.39 1.13 -0.00 -0.41 -0.24 115.95 115.80 1rqq h TRP 475 Ca 0.14 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 59.03 1rqq h TRP 475 Cb 0.06 0.35 -0.02 0.00 -0.00 0.00 0.00 29.16 29.54 1rqq h TRP 475 CO -0.02 -0.37 0.11 0.74 -0.00 0.00 0.00 178.44 178.90 1rqq h PHE 476 N -0.38 0.57 -0.55 2.65 0.04 -1.13 -2.25 116.94 115.89 1rqq h PHE 476 Ca 0.09 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 1rqq h PHE 476 Cb 0.50 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1rqq h PHE 476 CO -0.35 0.48 0.17 0.37 -0.60 0.00 0.00 178.31 178.38 1rqq h GLN 477 N 0.56 0.86 -0.68 1.51 5.75 -0.31 -0.72 115.11 122.08 1rqq h GLN 477 Ca 0.13 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 1rqq h GLN 477 Cb 0.19 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 1rqq h GLN 477 CO -0.01 0.79 0.31 0.66 -2.65 0.00 0.00 178.83 177.93 1rqq h SER 478 N 0.77 0.88 -0.24 -0.69 4.64 -0.57 0.46 113.55 118.80 1rqq h SER 478 Ca 0.18 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.30 1rqq h SER 478 Cb 0.29 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1rqq h SER 478 CO -0.01 0.75 -0.24 0.58 -0.87 0.00 0.00 176.83 177.05 1rqq h VAL 479 N 0.96 1.32 -0.71 0.95 2.07 -1.14 -1.87 116.25 117.82 1rqq h VAL 479 Ca 0.23 -1.40 0.06 0.00 0.82 0.00 0.00 66.70 66.42 1rqq h VAL 479 Cb 0.12 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1rqq h VAL 479 CO -0.03 0.44 0.47 0.15 0.02 0.00 0.00 177.57 178.62 1rqq h PHE 480 N 0.28 0.76 -0.51 1.57 3.57 -0.60 -1.05 116.94 120.95 1rqq h PHE 480 Ca 0.04 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1rqq h PHE 480 Cb 0.79 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1rqq h PHE 480 CO 0.08 0.40 0.19 -0.44 -2.23 0.00 0.00 178.31 176.31 1rqq h ASP 481 N 0.75 0.72 -0.50 0.41 3.32 0.47 -0.54 116.42 121.05 1rqq h ASP 481 Ca 0.31 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1rqq h ASP 481 Cb 0.25 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1rqq h ASP 481 CO -0.10 0.71 0.16 0.24 -1.72 0.00 0.00 179.24 178.53 1rqq h MET 482 N 0.69 0.84 0.75 3.56 2.86 -0.50 -3.04 114.93 120.09 1rqq h MET 482 Ca 0.17 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1rqq h MET 482 Cb 0.22 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 31.76 1rqq h MET 482 CO -0.01 0.73 -0.36 -0.07 1.06 0.00 0.00 176.91 178.26 1rqq h LEU 483 N 0.81 -0.85 -0.90 1.22 3.38 -0.70 -2.63 115.31 115.64 1rqq h LEU 483 Ca 0.18 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.26 1rqq h LEU 483 Cb 0.25 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1rqq h LEU 483 CO -0.01 -0.59 0.86 -0.09 0.09 0.00 0.00 178.44 178.70 1rqq h ARG 484 N -1.05 0.00 -1.40 1.13 2.43 -1.00 -0.39 114.38 114.12 1rqq h ARG 484 Ca -0.10 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.59 1rqq h ARG 484 Cb 0.78 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.13 1rqq h ARG 484 CO 0.17 0.00 0.61 0.72 -1.51 0.00 0.00 179.97 179.95 1rqq n HIS 485 N -2.90 2.20 -0.96 2.20 8.25 -0.99 -5.12 115.22 117.90 1rqq n HIS 485 Ca 0.06 -2.36 0.00 0.00 -0.26 0.00 0.00 57.72 55.16 1rqq n HIS 485 Cb 0.96 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1rqq n HIS 485 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17