#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krm s GLU 406 N 0.00 3.10 -0.02 3.69 2.02 0.10 -4.78 118.70 122.80 3krm s GLU 406 Ca 0.00 -0.42 0.03 0.00 0.02 0.00 0.00 54.97 54.60 3krm s GLU 406 Cb 0.00 -2.54 -0.00 0.00 0.10 0.00 0.00 34.13 31.69 3krm s GLU 406 CO 0.00 -0.28 -0.12 1.41 0.02 0.00 0.00 175.26 176.30 3krm s MET 407 N -4.58 1.10 0.00 1.61 1.75 -1.26 -1.20 119.30 116.72 3krm s MET 407 Ca 0.48 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.51 3krm s MET 407 Cb -0.10 -1.03 -0.00 0.00 2.84 0.00 0.00 34.83 36.54 3krm s MET 407 CO 0.39 0.20 -0.01 0.08 -0.65 0.00 0.00 175.02 175.03 3krm s VAL 408 N -0.05 0.04 -0.19 10.11 1.01 -0.44 -4.53 120.40 126.35 3krm s VAL 408 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 3krm s VAL 408 Cb -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 36.38 36.24 3krm s VAL 408 CO 0.00 -0.03 -0.04 -1.10 0.00 0.00 0.00 175.10 173.93 3krm s GLN 409 N -0.11 3.47 -0.18 2.72 -0.21 -0.28 -0.99 119.66 124.08 3krm s GLN 409 Ca -0.01 -0.60 -0.01 0.00 0.02 0.00 0.00 55.36 54.77 3krm s GLN 409 Cb -0.01 -2.96 0.00 0.00 1.00 0.00 0.00 33.01 31.05 3krm s GLN 409 CO -0.00 -0.03 -0.14 0.08 -2.12 0.00 0.00 175.29 173.07 3krm s VAL 410 N 1.06 2.62 -0.21 1.09 1.01 0.47 -0.13 120.40 126.30 3krm s VAL 410 Ca 0.01 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 3krm s VAL 410 Cb -0.15 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 3krm s VAL 410 CO 0.00 0.50 0.54 -0.36 0.00 0.00 0.00 175.10 175.78 3krm s PHE 411 N 1.16 3.35 0.19 5.22 0.08 -0.64 0.14 117.98 127.48 3krm s PHE 411 Ca 0.01 0.77 0.11 0.00 0.12 0.00 0.00 56.93 57.94 3krm s PHE 411 Cb -0.14 -2.70 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 3krm s PHE 411 CO -0.06 -0.16 -0.20 0.96 -0.10 0.00 0.00 175.22 175.66 3krm s ILE 412 N 1.85 2.58 0.21 0.64 -4.36 -0.28 -4.16 121.20 117.68 3krm s ILE 412 Ca 0.24 -1.91 -0.32 0.00 -0.26 0.00 0.00 60.65 58.40 3krm s ILE 412 Cb -0.15 -2.24 -0.14 0.00 1.25 0.00 0.00 42.46 41.17 3krm s ILE 412 CO 0.09 -0.10 1.35 -2.65 0.24 0.00 0.00 174.94 173.87 3krm n PRO 413 N 0.25 1.77 0.03 0.37 -0.02 -1.26 -0.80 135.00 135.33 3krm n PRO 413 Ca -0.12 0.63 0.04 0.00 -2.02 0.00 0.00 63.50 62.03 3krm n PRO 413 Cb 0.56 -2.25 0.45 0.00 -0.02 0.00 0.00 33.50 32.23 3krm n PRO 413 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3krm h ALA 414 N 4.13 1.74 0.00 3.55 0.00 -1.36 -1.08 119.26 126.25 3krm h ALA 414 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3krm h ALA 414 Cb 1.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3krm h ALA 414 CO 0.75 0.24 0.00 0.00 0.00 0.00 0.00 179.25 180.24 3krm n GLN 415 N -4.48 0.38 0.00 0.00 0.00 -1.26 -2.54 117.38 109.47 3krm n GLN 415 Ca 0.02 0.07 0.09 0.00 0.00 0.00 0.00 57.00 57.19 3krm n GLN 415 Cb 0.06 -1.50 0.08 0.00 0.00 0.00 0.00 30.24 28.88 3krm n GLN 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3krm n ALA 416 N -1.15 2.50 -0.11 2.61 0.00 -0.41 -4.42 120.51 119.55 3krm n ALA 416 Ca 0.10 -0.65 -0.08 0.00 0.00 0.00 0.00 53.44 52.82 3krm n ALA 416 Cb 0.10 -0.64 -0.00 0.00 0.00 0.00 0.00 19.45 18.91 3krm n ALA 416 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3krm h VAL 417 N 3.64 1.06 0.01 0.00 2.07 -1.63 -1.35 116.25 120.05 3krm h VAL 417 Ca 0.00 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.39 3krm h VAL 417 Cb 0.78 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3krm h VAL 417 CO 0.00 0.08 -0.45 1.23 0.02 0.00 0.00 177.57 178.45 3krm h GLY 418 N 0.45 -0.87 0.14 2.17 0.00 -1.83 0.38 103.07 103.52 3krm h GLY 418 Ca 0.14 0.55 0.18 0.00 0.00 0.00 0.00 47.33 48.19 3krm h GLY 418 CO -0.05 -0.25 0.54 0.00 0.00 0.00 0.00 176.54 176.78 3krm h ALA 419 N -0.14 1.52 0.00 3.60 0.00 -1.73 0.16 119.26 122.67 3krm h ALA 419 Ca 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3krm h ALA 419 Cb 0.68 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3krm h ALA 419 CO -0.32 -0.08 -0.27 0.82 0.00 0.00 0.00 179.25 179.39 3krm h ILE 420 N 0.69 0.23 0.00 0.00 1.08 -0.12 -3.33 117.51 116.06 3krm h ILE 420 Ca 0.54 -1.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 3krm h ILE 420 Cb 0.82 2.06 0.00 0.00 -3.07 0.00 0.00 36.82 36.63 3krm h ILE 420 CO -0.39 0.13 -0.26 0.40 -0.69 0.00 0.00 178.15 177.34 3krm h ILE 421 N 0.00 0.00 0.00 -0.67 2.04 -0.04 -3.35 117.51 115.48 3krm h ILE 421 Ca -0.01 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.96 3krm h ILE 421 Cb 1.12 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3krm h ILE 421 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.78 3krm n GLY 422 N 1.70 2.36 3.55 5.37 0.00 -0.04 0.37 105.19 118.49 3krm n GLY 422 Ca -0.04 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.59 3krm n GLY 422 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krm s LYS 423 N -2.34 2.41 0.00 1.61 1.02 -1.26 -2.66 119.74 118.52 3krm s LYS 423 Ca 0.00 0.68 0.00 0.00 0.02 0.00 0.00 55.97 56.67 3krm s LYS 423 Cb 0.00 -4.56 0.00 0.00 -0.52 0.00 0.00 37.83 32.75 3krm s LYS 423 CO 0.00 -3.08 0.00 1.63 -0.92 0.00 0.00 175.35 172.98 3krm n LYS 424 N 9.07 0.00 -0.66 1.68 5.02 -1.26 -3.83 118.16 128.18 3krm n LYS 424 Ca 0.29 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 3krm n LYS 424 Cb 0.52 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 3krm n LYS 424 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3krm n GLY 425 N -2.34 0.71 0.46 0.72 0.00 -1.09 -4.98 105.19 98.67 3krm n GLY 425 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3krm n GLY 425 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3krm h GLN 426 N 2.42 -0.91 0.00 1.61 4.20 -1.66 -2.86 115.11 117.90 3krm h GLN 426 Ca 0.00 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3krm h GLN 426 Cb 0.00 0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3krm h GLN 426 CO 0.00 -0.60 0.00 1.25 -0.67 0.00 0.00 178.83 178.81 3krm h HIS 427 N -0.94 0.00 0.05 2.96 2.76 -0.38 -2.29 115.15 117.31 3krm h HIS 427 Ca -0.05 0.00 -0.38 0.00 -2.20 0.00 0.00 60.37 57.74 3krm h HIS 427 Cb 0.82 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.73 3krm h HIS 427 CO -0.22 0.00 -2.22 1.51 -1.30 0.00 0.00 177.93 175.70 3krm n ILE 428 N -2.46 1.61 0.24 6.26 3.06 0.78 -2.59 119.36 126.26 3krm n ILE 428 Ca 0.00 -0.55 0.10 0.00 -2.50 0.00 0.00 62.75 59.80 3krm n ILE 428 Cb 0.16 -1.62 0.58 0.00 0.54 0.00 0.00 39.64 39.30 3krm n ILE 428 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 3krm h LYS 429 N -0.12 0.00 0.00 9.51 1.57 -1.49 -1.54 116.57 124.50 3krm h LYS 429 Ca -0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3krm h LYS 429 Cb 1.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.20 3krm h LYS 429 CO -0.06 0.20 -0.01 0.37 -0.57 0.00 0.00 179.45 179.38 3krm h GLN 430 N 0.00 0.00 0.00 3.15 4.15 -1.53 -2.16 115.11 118.72 3krm h GLN 430 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3krm h GLN 430 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 3krm h GLN 430 CO 0.03 0.00 -1.47 -0.11 -1.93 0.00 0.00 178.83 175.34 3krm n LEU 431 N -2.88 0.50 0.09 -2.39 7.94 -0.82 -1.66 117.00 117.78 3krm n LEU 431 Ca 0.04 -0.26 0.05 0.00 -1.11 0.00 0.00 56.01 54.73 3krm n LEU 431 Cb 0.50 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.44 3krm n LEU 431 CO 0.33 0.13 0.07 0.77 -1.11 0.00 0.00 177.39 177.58 3krm h SER 432 N 0.00 0.00 0.03 1.96 4.64 -1.35 -3.10 113.55 115.73 3krm h SER 432 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3krm h SER 432 Cb 0.73 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.83 3krm h SER 432 CO 0.00 0.36 -0.48 -0.09 -0.87 0.00 0.00 176.83 175.75 3krm h ARG 433 N 0.00 0.26 0.73 4.77 2.43 -1.49 -1.86 114.38 119.23 3krm h ARG 433 Ca -0.07 -0.33 -0.04 0.00 -0.81 0.00 0.00 59.98 58.74 3krm h ARG 433 Cb 1.33 0.10 0.01 0.00 -0.42 0.00 0.00 29.97 31.00 3krm h ARG 433 CO 0.03 1.07 -0.35 0.35 -1.51 0.00 0.00 179.97 179.56 3krm h PHE 434 N -0.39 -0.91 0.00 2.20 3.57 -1.42 -3.19 116.94 116.80 3krm h PHE 434 Ca -0.07 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3krm h PHE 434 Cb 1.26 0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.30 3krm h PHE 434 CO 0.18 -0.54 0.00 0.00 -2.23 0.00 0.00 178.31 175.72 3krm n ALA 435 N -2.61 2.16 -3.40 2.41 0.00 -1.17 -4.94 120.51 112.95 3krm n ALA 435 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.12 3krm n ALA 435 Cb 0.40 -1.46 0.06 0.00 0.00 0.00 0.00 19.45 18.46 3krm n ALA 435 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3krm n SER 436 N -2.29 -5.27 -4.02 0.00 7.64 -1.07 -4.41 113.62 104.21 3krm n SER 436 Ca 0.05 -0.77 -0.10 0.00 1.01 0.00 0.00 58.87 59.06 3krm n SER 436 Cb 0.39 -4.74 -0.11 0.00 -1.01 0.00 0.00 64.21 58.75 3krm n SER 436 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3krm s ALA 437 N -3.43 0.30 -0.00 -0.43 0.00 -0.72 -4.86 121.76 112.62 3krm s ALA 437 Ca 0.36 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 3krm s ALA 437 Cb -0.07 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 3krm s ALA 437 CO 0.77 -0.14 1.23 -1.12 0.00 0.00 0.00 175.76 176.50 3krm s SER 438 N -1.65 7.03 -0.37 0.00 0.01 -0.67 -4.29 113.70 113.76 3krm s SER 438 Ca -0.12 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.09 3krm s SER 438 Cb -0.08 -2.57 0.14 0.00 0.21 0.00 0.00 66.02 63.72 3krm s SER 438 CO -0.01 -0.56 0.22 -0.63 0.41 0.00 0.00 173.24 172.66 3krm s ILE 439 N 1.80 0.44 -0.08 1.44 1.01 -1.26 -1.30 121.20 123.25 3krm s ILE 439 Ca 0.58 -1.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.26 3krm s ILE 439 Cb -0.28 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3krm s ILE 439 CO 0.25 -0.97 0.18 -0.54 0.00 0.00 0.00 174.94 173.87 3krm s LYS 440 N 0.91 3.50 -0.34 2.79 -0.14 -0.71 -4.95 119.74 120.79 3krm s LYS 440 Ca 0.18 -0.10 -0.12 0.00 -1.36 0.00 0.00 55.97 54.57 3krm s LYS 440 Cb -0.23 -3.17 -0.01 0.00 -1.68 0.00 0.00 37.83 32.74 3krm s LYS 440 CO 0.01 0.74 0.21 0.42 -0.76 0.00 0.00 175.35 175.98 3krm s ILE 441 N -1.10 5.00 0.59 2.17 1.01 -1.26 -0.70 121.20 126.90 3krm s ILE 441 Ca 0.19 -0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.27 3krm s ILE 441 Cb -0.13 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3krm s ILE 441 CO 0.08 -0.03 1.22 0.00 0.00 0.00 0.00 174.94 176.21 3krm s ALA 442 N 1.67 2.56 0.51 9.38 0.00 -0.77 -4.99 121.76 130.13 3krm s ALA 442 Ca 0.05 1.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.87 3krm s ALA 442 Cb -0.18 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.41 3krm s ALA 442 CO 0.09 -1.18 1.00 -1.25 0.00 0.00 0.00 175.76 174.42 3krm s PRO 443 N -3.29 3.83 0.09 0.00 0.04 -1.26 -4.55 135.00 129.85 3krm s PRO 443 Ca 0.77 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 3krm s PRO 443 Cb -0.31 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 3krm s PRO 443 CO 0.34 -0.38 0.96 -1.25 0.04 0.00 0.00 177.00 176.71 3krm s PRO 444 N -3.78 4.67 0.04 0.56 0.04 -1.26 -4.97 135.00 130.31 3krm s PRO 444 Ca 0.62 1.44 -0.28 0.00 0.04 0.00 0.00 61.00 62.81 3krm s PRO 444 Cb -0.12 -3.39 -0.16 0.00 0.04 0.00 0.00 34.50 30.87 3krm s PRO 444 CO 0.27 0.17 1.42 0.93 0.04 0.00 0.00 177.00 179.83 3krm h GLU 445 N 5.79 -0.99 0.00 4.56 5.08 -1.94 -3.43 114.58 123.65 3krm h GLU 445 Ca -0.43 0.07 -0.26 0.00 -1.00 0.00 0.00 59.36 57.74 3krm h GLU 445 Cb 1.21 0.22 0.10 0.00 0.50 0.00 0.00 28.75 30.78 3krm h GLU 445 CO 0.72 -0.66 0.22 0.25 -1.00 0.00 0.00 179.01 178.54 3krm n THR 446 N -4.78 0.00 0.77 1.13 -2.24 -1.26 -4.97 114.28 102.92 3krm n THR 446 Ca -0.13 -0.65 0.08 0.00 -2.27 0.00 0.00 64.05 61.08 3krm n THR 446 Cb 0.40 -1.60 0.24 0.00 -2.10 0.00 0.00 70.33 67.27 3krm n THR 446 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3krm n PRO 447 N -2.59 1.96 -2.37 -0.78 -0.02 -1.26 -4.58 135.00 125.35 3krm n PRO 447 Ca 0.10 -1.47 -0.04 0.00 -2.02 0.00 0.00 63.50 60.07 3krm n PRO 447 Cb 0.35 -1.36 0.05 0.00 -0.02 0.00 0.00 33.50 32.52 3krm n PRO 447 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3krm n ASP 448 N 0.69 2.12 -4.77 2.55 8.00 -1.26 -5.12 116.55 118.76 3krm n ASP 448 Ca 0.15 -2.43 -0.39 0.00 0.71 0.00 0.00 54.79 52.83 3krm n ASP 448 Cb 0.37 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 3krm n ASP 448 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3krm s SER 449 N -3.46 6.56 -0.02 -2.24 1.04 -1.26 -4.97 113.70 109.34 3krm s SER 449 Ca 0.33 2.41 -0.20 0.00 0.48 0.00 0.00 55.95 58.97 3krm s SER 449 Cb 0.35 -2.62 -0.12 0.00 0.10 0.00 0.00 66.02 63.73 3krm s SER 449 CO -0.05 -0.65 0.86 0.07 0.98 0.00 0.00 173.24 174.45 3krm h LYS 450 N 2.78 -0.54 -6.19 4.02 -0.00 -2.00 -3.43 116.57 111.21 3krm h LYS 450 Ca -0.49 0.04 -0.50 0.00 -0.00 0.00 0.00 60.65 59.70 3krm h LYS 450 Cb 1.23 0.12 -0.04 0.00 -0.00 0.00 0.00 32.23 33.55 3krm h LYS 450 CO 0.63 -0.27 -0.43 0.14 -0.00 0.00 0.00 179.45 179.52 3krm s VAL 451 N -3.82 3.25 0.12 0.07 -7.23 -1.26 -1.03 120.40 110.50 3krm s VAL 451 Ca -0.11 -1.37 0.09 0.00 -1.81 0.00 0.00 61.98 58.78 3krm s VAL 451 Cb 0.01 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 3krm s VAL 451 CO 0.36 -0.12 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.68 3krm s ARG 452 N -4.03 1.22 -0.28 4.82 1.81 0.02 -4.69 118.95 117.81 3krm s ARG 452 Ca 0.43 -1.25 -0.10 0.00 -1.72 0.00 0.00 55.73 53.09 3krm s ARG 452 Cb -0.05 -1.50 -0.03 0.00 -0.45 0.00 0.00 34.95 32.92 3krm s ARG 452 CO 0.27 0.34 0.15 1.41 -0.68 0.00 0.00 175.30 176.79 3krm s MET 453 N -2.11 3.69 -0.14 3.54 -2.45 -1.26 -1.12 119.30 119.45 3krm s MET 453 Ca 0.10 -0.48 -0.19 0.00 -1.25 0.00 0.00 55.69 53.87 3krm s MET 453 Cb -0.09 -3.56 -0.04 0.00 1.25 0.00 0.00 34.83 32.39 3krm s MET 453 CO 0.05 -0.26 0.51 0.08 1.05 0.00 0.00 175.02 176.45 3krm s VAL 454 N 1.69 5.15 -0.21 10.11 1.01 0.12 -1.85 120.40 136.43 3krm s VAL 454 Ca 0.06 1.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.99 3krm s VAL 454 Cb -0.16 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 3krm s VAL 454 CO 0.08 0.28 -0.01 -0.63 0.00 0.00 0.00 175.10 174.82 3krm s ILE 455 N 0.91 3.84 -0.12 2.22 1.01 0.12 -0.40 121.20 128.79 3krm s ILE 455 Ca 0.26 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.59 3krm s ILE 455 Cb -0.15 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.58 3krm s ILE 455 CO 0.11 0.42 -0.18 -0.63 0.00 0.00 0.00 174.94 174.65 3krm s ILE 456 N 1.14 1.73 -0.09 2.92 1.01 -0.16 -1.75 121.20 126.02 3krm s ILE 456 Ca 0.03 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.90 3krm s ILE 456 Cb -0.14 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.79 3krm s ILE 456 CO 0.01 0.49 -0.11 -0.89 0.00 0.00 0.00 174.94 174.44 3krm s THR 457 N 0.83 1.15 0.00 2.92 2.01 -0.42 -1.32 115.64 120.81 3krm s THR 457 Ca -0.09 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.47 3krm s THR 457 Cb -0.16 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 71.27 3krm s THR 457 CO -0.00 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 3krm n GLY 458 N 4.21 0.36 3.82 4.40 0.00 -0.34 -1.67 105.19 115.98 3krm n GLY 458 Ca -0.19 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 3krm n GLY 458 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3krm s PRO 459 N -2.00 1.83 0.29 1.61 0.05 -1.26 0.02 135.00 135.54 3krm s PRO 459 Ca 0.00 0.41 0.04 0.00 0.05 0.00 0.00 61.00 61.50 3krm s PRO 459 Cb 0.00 -1.91 0.71 0.00 0.05 0.00 0.00 34.50 33.35 3krm s PRO 459 CO 0.00 -1.75 1.76 -1.35 0.05 0.00 0.00 177.00 175.71 3krm h PRO 460 N -1.17 0.64 -0.68 0.56 0.11 -1.98 0.23 132.00 129.72 3krm h PRO 460 Ca -0.48 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.68 3krm h PRO 460 Cb 1.30 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 3krm h PRO 460 CO 0.62 0.42 0.32 0.93 -0.21 0.00 0.00 178.00 180.08 3krm h GLU 461 N 0.66 0.53 -0.18 1.05 3.07 -1.97 -0.89 114.58 116.86 3krm h GLU 461 Ca 0.56 -0.03 -0.22 0.00 -0.50 0.00 0.00 59.36 59.17 3krm h GLU 461 Cb 0.90 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.70 3krm h GLU 461 CO -0.41 0.35 -0.74 0.00 -1.40 0.00 0.00 179.01 176.82 3krm h ALA 462 N 1.42 0.35 -0.61 3.43 0.00 -0.82 -2.75 119.26 120.27 3krm h ALA 462 Ca 0.33 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.72 3krm h ALA 462 Cb 0.36 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3krm h ALA 462 CO -0.27 0.69 0.32 1.96 0.00 0.00 0.00 179.25 181.94 3krm h GLN 463 N 0.56 0.58 -0.20 0.00 1.08 -0.86 -1.40 115.11 114.86 3krm h GLN 463 Ca -0.04 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.11 3krm h GLN 463 Cb 1.36 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.65 3krm h GLN 463 CO 0.15 0.38 0.06 0.35 -0.95 0.00 0.00 178.83 178.82 3krm h PHE 464 N 0.60 0.33 -0.09 2.96 3.57 -1.04 0.07 116.94 123.33 3krm h PHE 464 Ca 0.28 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 3krm h PHE 464 Cb 0.19 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 3krm h PHE 464 CO -0.10 0.41 0.02 0.87 -2.23 0.00 0.00 178.31 177.28 3krm h LYS 465 N 0.15 0.14 -0.36 1.11 1.57 -1.36 -1.00 116.57 116.82 3krm h LYS 465 Ca 0.06 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3krm h LYS 465 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3krm h LYS 465 CO -0.00 0.33 0.05 0.00 -0.57 0.00 0.00 179.45 179.26 3krm h ALA 466 N 0.81 0.48 -0.61 3.86 0.00 -1.18 -0.38 119.26 122.24 3krm h ALA 466 Ca 0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3krm h ALA 466 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3krm h ALA 466 CO 0.00 0.19 0.11 1.96 0.00 0.00 0.00 179.25 181.51 3krm h GLN 467 N 0.44 1.01 -0.51 0.00 4.20 -1.02 -2.20 115.11 117.02 3krm h GLN 467 Ca 0.11 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3krm h GLN 467 Cb 0.37 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3krm h GLN 467 CO 0.01 0.94 0.28 0.78 -0.67 0.00 0.00 178.83 180.17 3krm h GLY 468 N 0.91 0.76 1.62 3.46 0.00 -0.97 -1.05 103.07 107.80 3krm h GLY 468 Ca 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3krm h GLY 468 CO 0.01 0.33 0.14 3.21 0.00 0.00 0.00 176.54 180.23 3krm h ARG 469 N 0.68 0.49 0.19 4.80 2.47 -0.99 0.33 114.38 122.36 3krm h ARG 469 Ca 0.18 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 3krm h ARG 469 Cb 0.05 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 3krm h ARG 469 CO -0.03 0.41 -0.09 0.82 0.56 0.00 0.00 179.97 181.64 3krm h ILE 470 N 0.49 0.78 -1.00 2.04 2.04 -0.77 0.20 117.51 121.29 3krm h ILE 470 Ca 0.12 -1.02 0.20 0.00 1.00 0.00 0.00 64.86 65.16 3krm h ILE 470 Cb 0.10 1.28 -0.10 0.00 -0.74 0.00 0.00 36.82 37.36 3krm h ILE 470 CO -0.01 0.19 0.61 1.88 0.00 0.00 0.00 178.15 180.82 3krm h TYR 471 N -0.86 0.99 -0.01 1.37 -1.99 -1.17 -2.11 116.97 113.20 3krm h TYR 471 Ca -0.03 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3krm h TYR 471 Cb 0.51 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.95 3krm h TYR 471 CO 0.07 0.20 -0.05 0.78 -0.00 0.00 0.00 178.16 179.16 3krm h GLY 472 N 0.69 0.04 0.39 3.88 0.00 -0.83 -2.90 103.07 104.33 3krm h GLY 472 Ca 0.58 -0.07 0.18 0.00 0.00 0.00 0.00 47.33 48.02 3krm h GLY 472 CO -0.37 0.06 0.58 1.70 0.00 0.00 0.00 176.54 178.51 3krm h LYS 473 N -0.65 0.48 -0.24 4.80 1.63 -0.33 -1.20 116.57 121.06 3krm h LYS 473 Ca -0.00 -0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.64 3krm h LYS 473 Cb 0.76 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 3krm h LYS 473 CO 0.01 0.32 -0.39 -0.07 -3.45 0.00 0.00 179.45 175.86 3krm h LEU 474 N 0.49 0.57 0.78 5.20 3.38 -1.34 -0.83 115.31 123.56 3krm h LEU 474 Ca 0.46 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3krm h LEU 474 Cb 1.01 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.61 3krm h LEU 474 CO -0.19 0.91 -0.38 0.50 0.09 0.00 0.00 178.44 179.37 3krm h LYS 475 N 0.45 -1.01 -0.90 1.13 1.63 -1.06 -2.33 116.57 114.49 3krm h LYS 475 Ca 0.04 0.07 0.13 0.00 -0.85 0.00 0.00 60.65 60.04 3krm h LYS 475 Cb 0.88 0.23 -0.14 0.00 -0.60 0.00 0.00 32.23 32.60 3krm h LYS 475 CO 0.08 -0.67 -0.43 0.93 -3.45 0.00 0.00 179.45 175.90 3krm h GLU 476 N -1.12 -0.05 -0.03 1.90 5.08 -1.13 0.39 114.58 119.62 3krm h GLU 476 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3krm h GLU 476 Cb 0.80 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3krm h GLU 476 CO 0.18 -0.03 0.00 0.39 -1.00 0.00 0.00 179.01 178.54 3krm n GLU 477 N -5.42 0.76 -3.76 2.33 -0.58 -0.33 -4.85 120.64 108.79 3krm n GLU 477 Ca 0.07 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.57 3krm n GLU 477 Cb 0.36 -1.02 0.03 0.00 -0.57 0.00 0.00 31.44 30.25 3krm n GLU 477 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3krm n ASN 478 N -0.47 -2.49 0.09 1.62 3.02 0.14 -4.85 115.26 112.31 3krm n ASN 478 Ca 0.00 -0.79 0.03 0.00 -0.03 0.00 0.00 54.58 53.79 3krm n ASN 478 Cb 0.01 -4.07 -0.02 0.00 -0.61 0.00 0.00 39.78 35.09 3krm n ASN 478 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3krm h PHE 479 N -1.97 0.00 -3.70 3.10 -1.00 -1.61 -3.44 116.94 108.32 3krm h PHE 479 Ca -0.60 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 59.52 3krm h PHE 479 Cb 1.36 0.00 -0.21 0.00 3.61 0.00 0.00 35.95 40.71 3krm h PHE 479 CO 0.50 0.44 -0.85 -0.06 -1.61 0.00 0.00 178.31 176.73 3krm s PHE 480 N -3.01 2.25 0.00 -0.55 0.40 -1.25 -5.08 117.98 110.73 3krm s PHE 480 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 3krm s PHE 480 Cb 0.08 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.43 3krm s PHE 480 CO 0.78 0.37 0.00 0.41 0.70 0.00 0.00 175.22 177.48 3krm n GLY 481 N 0.74 0.30 0.00 4.36 0.00 -1.26 -4.79 105.19 104.53 3krm n GLY 481 Ca -0.17 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3krm n GLY 481 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3krm n GLU 484 N 0.00 0.00 -2.48 1.61 2.13 -1.26 -5.19 120.64 115.45 3krm n GLU 484 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 3krm n GLU 484 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 3krm n GLU 484 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3krm s GLU 485 N -4.94 4.61 -0.09 5.31 0.41 -1.26 -5.00 118.70 117.74 3krm s GLU 485 Ca 0.00 1.78 -0.30 0.00 -0.41 0.00 0.00 54.97 56.05 3krm s GLU 485 Cb 0.00 -3.22 -0.04 0.00 -1.78 0.00 0.00 34.13 29.08 3krm s GLU 485 CO 0.00 0.14 1.55 0.08 -0.49 0.00 0.00 175.26 176.55 3krm s VAL 486 N -0.76 3.76 -0.13 2.63 1.01 -1.26 -5.01 120.40 120.64 3krm s VAL 486 Ca 0.47 0.92 -0.01 0.00 0.00 0.00 0.00 61.98 63.35 3krm s VAL 486 Cb -0.31 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3krm s VAL 486 CO 0.39 -0.09 -0.08 -0.54 0.00 0.00 0.00 175.10 174.78 3krm s LYS 487 N 3.93 3.36 0.09 2.72 1.02 -1.26 -4.15 119.74 125.45 3krm s LYS 487 Ca 0.69 -0.59 0.07 0.00 0.02 0.00 0.00 55.97 56.16 3krm s LYS 487 Cb -0.30 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 3krm s LYS 487 CO 0.26 0.33 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.33 3krm s LEU 488 N 0.09 2.30 0.17 3.17 1.43 -0.89 -4.93 118.68 120.02 3krm s LEU 488 Ca -0.03 -0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 52.22 3krm s LEU 488 Cb -0.14 -0.70 -0.08 0.00 0.03 0.00 0.00 46.19 45.31 3krm s LEU 488 CO 0.03 -0.02 0.66 -0.70 0.23 0.00 0.00 176.35 176.56 3krm s GLU 489 N -1.92 4.20 -0.02 1.70 2.12 -1.26 -3.01 118.70 120.51 3krm s GLU 489 Ca 0.03 0.78 -0.00 0.00 0.36 0.00 0.00 54.97 56.14 3krm s GLU 489 Cb -0.09 -2.98 0.02 0.00 0.26 0.00 0.00 34.13 31.34 3krm s GLU 489 CO 0.03 0.47 0.03 0.99 -0.54 0.00 0.00 175.26 176.25 3krm s THR 490 N -1.41 -0.05 -0.06 -1.70 2.01 0.11 -1.61 115.64 112.93 3krm s THR 490 Ca 0.39 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.58 3krm s THR 490 Cb -0.17 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 3krm s THR 490 CO 0.21 0.07 -0.11 -1.00 -0.69 0.00 0.00 174.62 173.10 3krm s HIS 491 N 0.87 2.81 -0.03 4.92 3.76 0.82 -0.91 115.29 127.52 3krm s HIS 491 Ca -0.07 -0.10 0.06 0.00 -0.15 0.00 0.00 55.06 54.80 3krm s HIS 491 Cb -0.10 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 31.90 3krm s HIS 491 CO -0.03 0.23 -0.21 0.96 -0.85 0.00 0.00 174.74 174.85 3krm s ILE 492 N -0.72 1.68 0.06 0.60 -4.36 -0.84 -1.13 121.20 116.49 3krm s ILE 492 Ca 0.11 -0.89 -0.22 0.00 -0.26 0.00 0.00 60.65 59.39 3krm s ILE 492 Cb -0.11 -1.41 -0.06 0.00 1.25 0.00 0.00 42.46 42.13 3krm s ILE 492 CO 0.01 0.47 0.65 -0.13 0.24 0.00 0.00 174.94 176.18 3krm s ARG 493 N -0.34 4.36 0.02 0.37 1.81 -1.26 -1.07 118.95 122.84 3krm s ARG 493 Ca 0.04 0.87 0.02 0.00 -1.72 0.00 0.00 55.73 54.94 3krm s ARG 493 Cb -0.10 -3.30 -0.02 0.00 -0.45 0.00 0.00 34.95 31.09 3krm s ARG 493 CO 0.00 0.47 -0.08 0.14 -0.68 0.00 0.00 175.30 175.16 3krm s VAL 494 N -0.62 0.58 -0.26 3.52 -7.23 0.15 -4.92 120.40 111.62 3krm s VAL 494 Ca 0.33 -0.71 -0.34 0.00 -1.81 0.00 0.00 61.98 59.44 3krm s VAL 494 Cb -0.20 -0.57 -0.15 0.00 0.56 0.00 0.00 36.38 36.02 3krm s VAL 494 CO 0.20 -0.11 1.10 -2.65 -0.31 0.00 0.00 175.10 173.33 3krm n PRO 495 N 2.15 0.00 0.25 4.82 -0.02 -1.26 -0.83 135.00 140.11 3krm n PRO 495 Ca -0.18 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.40 3krm n PRO 495 Cb 0.56 -1.15 0.65 0.00 -0.02 0.00 0.00 33.50 33.53 3krm n PRO 495 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3krm h ALA 496 N 3.34 1.54 -0.56 3.55 0.00 -1.21 0.16 119.26 126.09 3krm h ALA 496 Ca -0.36 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3krm h ALA 496 Cb 1.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3krm h ALA 496 CO 0.67 0.16 0.09 0.66 0.00 0.00 0.00 179.25 180.82 3krm h SER 497 N 0.00 0.85 1.37 0.00 4.64 -1.87 -3.24 113.55 115.29 3krm h SER 497 Ca -0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3krm h SER 497 Cb 0.26 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3krm h SER 497 CO 0.02 0.86 -0.61 0.00 -0.87 0.00 0.00 176.83 176.23 3krm h ALA 498 N 1.24 0.69 0.00 5.18 0.00 -1.32 -3.37 119.26 121.68 3krm h ALA 498 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3krm h ALA 498 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3krm h ALA 498 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 3krm h ALA 499 N 2.03 1.00 0.00 0.00 0.00 -1.45 -0.18 119.26 120.65 3krm h ALA 499 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3krm h ALA 499 Cb 0.99 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3krm h ALA 499 CO 0.00 0.00 -0.94 0.78 0.00 0.00 0.00 179.25 179.09 3krm h GLY 500 N 0.17 0.00 1.93 0.00 0.00 -1.79 -2.97 103.07 100.41 3krm h GLY 500 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3krm h GLY 500 CO 0.00 0.00 -0.58 3.21 0.00 0.00 0.00 176.54 179.17 3krm h ARG 501 N 0.00 0.07 -0.41 4.80 2.47 -1.30 0.22 114.38 120.23 3krm h ARG 501 Ca -0.06 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.49 3krm h ARG 501 Cb 1.62 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.94 3krm h ARG 501 CO 0.09 0.63 -0.23 0.28 0.56 0.00 0.00 179.97 181.30 3krm h VAL 502 N 0.05 1.28 -0.23 2.04 2.07 -1.49 -3.09 116.25 116.88 3krm h VAL 502 Ca -0.01 -1.38 -0.12 0.00 0.82 0.00 0.00 66.70 66.02 3krm h VAL 502 Cb 1.05 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3krm h VAL 502 CO 0.08 0.46 -0.32 0.40 0.02 0.00 0.00 177.57 178.21 3krm h ILE 503 N 0.69 1.32 0.00 4.57 2.04 -1.44 -2.63 117.51 122.06 3krm h ILE 503 Ca 0.09 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.43 3krm h ILE 503 Cb 0.80 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3krm h ILE 503 CO 0.07 0.48 0.00 0.61 0.00 0.00 0.00 178.15 179.30 3krm n GLY 504 N 0.29 -0.70 3.62 5.37 0.00 0.77 -2.13 105.19 112.40 3krm n GLY 504 Ca -0.05 -1.66 -0.44 0.00 0.00 0.00 0.00 46.02 43.87 3krm n GLY 504 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3krm n LYS 505 N -0.61 2.21 -1.89 1.61 4.81 -1.26 -1.59 118.16 121.43 3krm n LYS 505 Ca 0.00 0.71 -0.13 0.00 -0.87 0.00 0.00 58.31 58.03 3krm n LYS 505 Cb 0.00 -3.04 -0.02 0.00 0.02 0.00 0.00 35.03 31.99 3krm n LYS 505 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3krm n GLY 506 N 5.29 0.44 2.20 3.14 0.00 -1.26 -3.70 105.19 111.31 3krm n GLY 506 Ca 0.27 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 3krm n GLY 506 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krm n GLY 507 N -1.18 0.90 0.15 -0.02 0.00 -0.62 -4.89 105.19 99.52 3krm n GLY 507 Ca -0.14 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.25 3krm n GLY 507 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3krm h LYS 508 N 0.00 0.00 0.39 1.61 1.57 -1.59 -2.94 116.57 115.60 3krm h LYS 508 Ca -0.15 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3krm h LYS 508 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3krm h LYS 508 CO 0.21 0.08 -0.19 1.15 -0.57 0.00 0.00 179.45 180.14 3krm h THR 509 N 0.00 0.00 -0.41 -0.16 2.02 -1.69 -2.86 112.91 109.81 3krm h THR 509 Ca -0.02 -0.60 0.12 0.00 0.77 0.00 0.00 66.41 66.68 3krm h THR 509 Cb 1.11 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3krm h THR 509 CO 0.01 0.00 0.30 1.62 0.37 0.00 0.00 175.52 177.82 3krm h VAL 510 N -1.12 0.78 -0.23 3.16 3.04 -1.16 -1.00 116.25 119.72 3krm h VAL 510 Ca -0.05 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.62 3krm h VAL 510 Cb 0.40 0.79 -0.01 0.00 -2.01 0.00 0.00 31.29 30.46 3krm h VAL 510 CO 0.09 0.00 0.08 -1.13 -1.01 0.00 0.00 177.57 175.59 3krm h ASN 511 N 0.00 0.34 -0.13 3.17 -1.24 -1.54 -2.52 115.58 113.65 3krm h ASN 511 Ca 0.20 -0.20 -0.13 0.00 0.71 0.00 0.00 56.30 56.88 3krm h ASN 511 Cb 0.79 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 3krm h ASN 511 CO -0.00 0.45 -0.35 -0.08 -1.29 0.00 0.00 177.43 176.16 3krm h GLU 512 N 0.21 0.64 -0.31 6.67 4.81 -0.99 -1.91 114.58 123.70 3krm h GLU 512 Ca 0.08 -0.30 0.05 0.00 -0.13 0.00 0.00 59.36 59.06 3krm h GLU 512 Cb 0.23 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 3krm h GLU 512 CO -0.00 0.89 0.00 -0.07 -0.73 0.00 0.00 179.01 179.10 3krm h LEU 513 N 0.54 -0.12 -0.78 1.64 3.38 -1.07 0.84 115.31 119.73 3krm h LEU 513 Ca 0.06 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3krm h LEU 513 Cb 0.85 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3krm h LEU 513 CO 0.07 -0.03 0.01 1.56 0.09 0.00 0.00 178.44 180.15 3krm h GLN 514 N 0.09 0.94 0.01 1.13 4.20 -1.17 -1.29 115.11 119.02 3krm h GLN 514 Ca 0.15 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3krm h GLN 514 Cb 0.20 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3krm h GLN 514 CO -0.25 0.92 -0.01 -0.91 -0.67 0.00 0.00 178.83 177.91 3krm h ASN 515 N 0.87 -0.01 -0.62 1.46 2.35 -0.74 0.13 115.58 119.01 3krm h ASN 515 Ca 0.16 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3krm h ASN 515 Cb 0.50 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 3krm h ASN 515 CO 0.02 0.10 0.24 -0.07 -1.65 0.00 0.00 177.43 176.07 3krm h LEU 516 N -0.12 0.87 0.00 1.61 3.38 -0.74 -3.34 115.31 116.97 3krm h LEU 516 Ca -0.00 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 3krm h LEU 516 Cb 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3krm h LEU 516 CO 0.00 0.81 -2.03 0.35 0.09 0.00 0.00 178.44 177.67 3krm n THR 517 N -4.43 0.48 -0.89 0.22 -2.24 -0.50 -4.99 114.28 101.94 3krm n THR 517 Ca 0.04 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3krm n THR 517 Cb 0.18 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3krm n THR 517 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3krm n ALA 518 N -2.37 0.00 -1.77 6.98 0.00 0.47 -4.11 120.51 119.70 3krm n ALA 518 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.93 3krm n ALA 518 Cb 0.73 -0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 3krm n ALA 518 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krm s ALA 519 N -3.35 3.21 0.06 0.00 0.00 -1.26 -4.93 121.76 115.50 3krm s ALA 519 Ca 0.00 0.72 -0.31 0.00 0.00 0.00 0.00 51.96 52.37 3krm s ALA 519 Cb 0.00 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 3krm s ALA 519 CO 0.00 -0.10 1.30 -1.21 0.00 0.00 0.00 175.76 175.75 3krm s GLU 520 N -2.04 4.36 -0.09 0.00 2.02 -0.04 -4.34 118.70 118.56 3krm s GLU 520 Ca 0.52 1.90 -0.00 0.00 0.02 0.00 0.00 54.97 57.41 3krm s GLU 520 Cb -0.24 -3.38 0.02 0.00 0.10 0.00 0.00 34.13 30.64 3krm s GLU 520 CO 0.31 -0.40 -0.05 0.08 0.02 0.00 0.00 175.26 175.22 3krm s VAL 521 N 1.43 0.74 -0.05 2.63 1.01 -1.26 -1.75 120.40 123.15 3krm s VAL 521 Ca 0.61 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.48 3krm s VAL 521 Cb -0.32 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.27 3krm s VAL 521 CO 0.28 0.31 -0.09 -0.69 0.00 0.00 0.00 175.10 174.91 3krm s VAL 522 N 1.61 0.90 -0.49 2.92 1.01 -0.81 -5.00 120.40 120.54 3krm s VAL 522 Ca 0.01 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3krm s VAL 522 Cb -0.13 -0.84 0.13 0.00 0.00 0.00 0.00 36.38 35.54 3krm s VAL 522 CO -0.05 0.30 0.32 -0.69 0.00 0.00 0.00 175.10 174.98 3krm s VAL 523 N 0.61 3.79 -0.13 2.92 1.01 -1.26 -1.06 120.40 126.28 3krm s VAL 523 Ca -0.11 -2.15 -0.39 0.00 0.00 0.00 0.00 61.98 59.32 3krm s VAL 523 Cb -0.14 -3.52 -0.16 0.00 0.00 0.00 0.00 36.38 32.56 3krm s VAL 523 CO 0.02 -0.77 1.55 -2.65 0.00 0.00 0.00 175.10 173.25 3krm n PRO 524 N 4.47 1.04 -2.56 2.72 -0.02 -1.26 -4.83 135.00 134.55 3krm n PRO 524 Ca -0.02 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 3krm n PRO 524 Cb 0.41 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 3krm n PRO 524 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3krm s ARG 525 N 2.15 4.62 -0.40 -0.52 1.81 -1.26 -4.41 118.95 120.94 3krm s ARG 525 Ca 0.93 1.67 -0.02 0.00 -1.72 0.00 0.00 55.73 56.59 3krm s ARG 525 Cb -1.06 -3.29 -0.02 0.00 -0.45 0.00 0.00 34.95 30.13 3krm s ARG 525 CO 0.59 0.12 0.36 -3.47 -0.68 0.00 0.00 175.30 172.22 3krm n ASP 526 N 2.35 -4.20 -4.89 0.23 2.03 -1.26 -5.05 116.55 105.75 3krm n ASP 526 Ca 0.02 -0.20 -0.21 0.00 0.52 0.00 0.00 54.79 54.92 3krm n ASP 526 Cb 0.47 -2.67 -0.02 0.00 -0.72 0.00 0.00 41.12 38.18 3krm n ASP 526 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3krm s GLN 527 N -3.37 2.50 -0.47 -0.67 -0.21 -1.26 -5.08 119.66 111.10 3krm s GLN 527 Ca 0.12 -1.59 -0.18 0.00 0.02 0.00 0.00 55.36 53.74 3krm s GLN 527 Cb -0.02 -2.37 0.05 0.00 1.00 0.00 0.00 33.01 31.67 3krm s GLN 527 CO 0.32 -0.28 0.51 0.95 -2.12 0.00 0.00 175.29 174.68 3krm s THR 528 N -2.51 5.03 0.09 -0.19 -4.23 -1.26 -5.03 115.64 107.53 3krm s THR 528 Ca 0.48 -0.58 -0.36 0.00 -1.18 0.00 0.00 61.69 60.05 3krm s THR 528 Cb -0.03 -4.18 -0.15 0.00 1.34 0.00 0.00 72.50 69.48 3krm s THR 528 CO 0.28 -0.63 1.47 -2.65 -0.54 0.00 0.00 174.62 172.55 3krm n PRO 529 N 5.76 1.56 -0.23 3.99 -0.02 -1.26 -4.95 135.00 139.85 3krm n PRO 529 Ca -0.08 0.56 -0.14 0.00 -2.02 0.00 0.00 63.50 61.82 3krm n PRO 529 Cb 0.46 -2.26 0.13 0.00 -0.02 0.00 0.00 33.50 31.81 3krm n PRO 529 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3krm n ASP 530 N 3.18 -2.79 0.21 2.55 5.75 -0.57 -4.66 116.55 120.22 3krm n ASP 530 Ca 0.18 -0.40 0.17 0.00 -0.01 0.00 0.00 54.79 54.73 3krm n ASP 530 Cb 0.23 -0.53 0.82 0.00 -1.03 0.00 0.00 41.12 40.61 3krm n ASP 530 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3krm h GLU 531 N 0.00 0.00 -0.56 0.11 4.22 -1.92 -1.60 114.58 114.83 3krm h GLU 531 Ca -0.18 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.26 3krm h GLU 531 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3krm h GLU 531 CO 0.11 0.00 0.00 0.09 -2.18 0.00 0.00 179.01 177.03 3krm n ASN 532 N -3.87 3.11 -2.24 1.04 3.02 -1.26 -4.89 115.26 110.16 3krm n ASN 532 Ca 0.01 -2.14 -0.16 0.00 -0.03 0.00 0.00 54.58 52.26 3krm n ASN 532 Cb 0.30 -0.41 0.03 0.00 -0.61 0.00 0.00 39.78 39.09 3krm n ASN 532 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3krm n ASP 533 N 0.89 -4.85 -4.44 6.41 2.03 -0.60 -4.93 116.55 111.06 3krm n ASP 533 Ca 0.18 -0.21 -0.30 0.00 0.52 0.00 0.00 54.79 54.98 3krm n ASP 533 Cb 0.54 -3.69 -0.12 0.00 -0.72 0.00 0.00 41.12 37.12 3krm n ASP 533 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3krm s GLN 534 N -5.39 1.73 0.45 -0.67 -0.21 -1.26 -0.65 119.66 113.67 3krm s GLN 534 Ca 0.23 -1.18 0.06 0.00 0.02 0.00 0.00 55.36 54.48 3krm s GLN 534 Cb -0.10 -2.06 -0.03 0.00 1.00 0.00 0.00 33.01 31.82 3krm s GLN 534 CO 0.28 0.49 0.18 0.14 -2.12 0.00 0.00 175.29 174.26 3krm s VAL 535 N -1.05 1.97 -0.00 1.09 -7.23 -0.01 -1.52 120.40 113.65 3krm s VAL 535 Ca 0.16 -1.73 -0.00 0.00 -1.81 0.00 0.00 61.98 58.60 3krm s VAL 535 Cb -0.10 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 3krm s VAL 535 CO 0.07 0.00 0.07 0.27 -0.31 0.00 0.00 175.10 175.20 3krm s ILE 536 N -2.69 4.65 -0.17 -0.62 -4.36 -1.26 0.34 121.20 117.08 3krm s ILE 536 Ca 0.33 -0.44 -0.07 0.00 -0.26 0.00 0.00 60.65 60.21 3krm s ILE 536 Cb 0.03 -3.12 -0.04 0.00 1.25 0.00 0.00 42.46 40.58 3krm s ILE 536 CO 0.19 0.35 0.07 -0.69 0.24 0.00 0.00 174.94 175.10 3krm s VAL 537 N -1.19 4.88 -0.01 8.37 1.01 -0.23 -4.32 120.40 128.92 3krm s VAL 537 Ca 0.23 -0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 3krm s VAL 537 Cb -0.12 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 3krm s VAL 537 CO 0.14 0.48 0.45 -0.54 0.00 0.00 0.00 175.10 175.63 3krm s LYS 538 N 0.20 4.06 -0.09 2.72 1.02 -0.22 -1.98 119.74 125.44 3krm s LYS 538 Ca 0.05 0.48 -0.01 0.00 0.02 0.00 0.00 55.97 56.51 3krm s LYS 538 Cb -0.12 -3.27 0.03 0.00 -0.52 0.00 0.00 37.83 33.95 3krm s LYS 538 CO 0.00 0.58 -0.03 0.42 -0.92 0.00 0.00 175.35 175.40 3krm s ILE 539 N -0.76 0.64 -0.17 2.17 1.01 -0.09 -1.92 121.20 122.10 3krm s ILE 539 Ca 0.25 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.86 3krm s ILE 539 Cb -0.17 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.58 3krm s ILE 539 CO 0.14 0.30 -0.21 -0.63 0.00 0.00 0.00 174.94 174.55 3krm s ILE 540 N 1.82 2.05 0.17 2.92 1.09 -0.72 -0.71 121.20 127.83 3krm s ILE 540 Ca 0.04 -0.95 -0.23 0.00 -1.10 0.00 0.00 60.65 58.41 3krm s ILE 540 Cb -0.12 -1.84 0.07 0.00 -1.06 0.00 0.00 42.46 39.51 3krm s ILE 540 CO -0.06 0.54 1.01 -0.83 -0.10 0.00 0.00 174.94 175.50 3krm s GLY 541 N 1.15 -0.02 0.97 6.18 0.00 -1.16 -0.87 107.32 113.57 3krm s GLY 541 Ca 0.01 -0.14 -0.14 0.00 0.00 0.00 0.00 44.72 44.45 3krm s GLY 541 CO -0.10 1.37 1.16 -2.38 0.00 0.00 0.00 173.10 173.16 3krm s HIS 542 N -2.58 1.98 0.28 1.90 -3.43 -1.26 -2.10 115.29 110.09 3krm s HIS 542 Ca 0.18 0.69 0.02 0.00 -0.80 0.00 0.00 55.06 55.15 3krm s HIS 542 Cb -0.02 -3.53 0.57 0.00 -1.43 0.00 0.00 32.58 28.17 3krm s HIS 542 CO 0.04 -2.70 1.82 0.35 -2.00 0.00 0.00 174.74 172.25 3krm h PHE 543 N -1.72 1.10 0.19 0.38 3.57 -1.98 -0.92 116.94 117.54 3krm h PHE 543 Ca -0.48 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 3krm h PHE 543 Cb 1.31 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3krm h PHE 543 CO -0.40 0.40 -0.09 -0.92 -2.23 0.00 0.00 178.31 175.06 3krm h TYR 544 N 0.92 -0.23 -0.70 0.41 3.20 -1.96 -1.38 116.97 117.23 3krm h TYR 544 Ca 0.50 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.51 3krm h TYR 544 Cb 0.56 0.08 -0.10 0.00 1.54 0.00 0.00 36.73 38.80 3krm h TYR 544 CO -0.01 0.17 0.18 0.00 -1.64 0.00 0.00 178.16 176.86 3krm h ALA 545 N -0.10 0.90 -0.27 1.82 0.00 -1.67 -1.66 119.26 118.27 3krm h ALA 545 Ca -0.03 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3krm h ALA 545 Cb 0.51 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3krm h ALA 545 CO 0.04 -0.31 0.04 1.03 0.00 0.00 0.00 179.25 180.06 3krm h SER 546 N 0.29 0.44 -0.50 0.00 0.87 -1.15 -1.82 113.55 111.68 3krm h SER 546 Ca 0.39 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3krm h SER 546 Cb 0.63 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 3krm h SER 546 CO -0.47 0.59 0.32 1.56 -0.53 0.00 0.00 176.83 178.30 3krm h GLN 547 N 0.27 0.66 -0.22 2.24 1.08 -1.05 -0.09 115.11 118.00 3krm h GLN 547 Ca 0.08 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3krm h GLN 547 Cb 0.34 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 3krm h GLN 547 CO 0.01 0.44 0.07 1.98 -0.95 0.00 0.00 178.83 180.37 3krm h MET 548 N 0.67 0.16 0.18 1.46 4.05 -1.28 -1.18 114.93 118.99 3krm h MET 548 Ca 0.18 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.58 3krm h MET 548 Cb -0.07 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 3krm h MET 548 CO -0.04 0.10 -0.09 0.00 0.23 0.00 0.00 176.91 177.12 3krm h ALA 549 N 1.14 -0.24 -0.52 0.39 0.00 -1.09 -2.07 119.26 116.87 3krm h ALA 549 Ca 0.10 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.98 3krm h ALA 549 Cb 0.07 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 3krm h ALA 549 CO -0.11 -0.54 -0.04 1.96 0.00 0.00 0.00 179.25 180.52 3krm h GLN 550 N -0.43 0.07 -0.15 0.00 4.20 -0.94 -1.30 115.11 116.57 3krm h GLN 550 Ca -0.02 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.73 3krm h GLN 550 Cb 0.33 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 3krm h GLN 550 CO 0.04 0.05 -0.37 -0.09 -0.67 0.00 0.00 178.83 177.79 3krm h ARG 551 N 0.08 -0.42 -0.57 1.46 9.65 -0.96 0.04 114.38 123.67 3krm h ARG 551 Ca 0.26 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.16 3krm h ARG 551 Cb 0.40 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.05 3krm h ARG 551 CO -0.47 -0.28 0.33 0.87 2.80 0.00 0.00 179.97 183.22 3krm h LYS 552 N -0.43 0.77 -0.41 0.20 1.79 -0.92 -0.84 116.57 116.72 3krm h LYS 552 Ca 0.09 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 3krm h LYS 552 Cb 0.58 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 3krm h LYS 552 CO -0.39 0.55 0.19 0.82 -1.08 0.00 0.00 179.45 179.55 3krm h ILE 553 N 0.78 1.18 -0.91 1.86 2.04 -0.61 -0.75 117.51 121.10 3krm h ILE 553 Ca 0.20 -0.51 0.14 0.00 1.00 0.00 0.00 64.86 65.69 3krm h ILE 553 Cb -0.01 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 3krm h ILE 553 CO -0.04 0.19 0.58 0.03 0.00 0.00 0.00 178.15 178.92 3krm h ARG 554 N 0.53 0.71 0.31 2.37 2.47 0.34 -1.82 114.38 119.28 3krm h ARG 554 Ca 0.14 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.80 3krm h ARG 554 Cb 0.13 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3krm h ARG 554 CO -0.02 0.47 -0.15 -0.44 0.56 0.00 0.00 179.97 180.39 3krm h ASP 555 N 0.73 -0.36 -0.91 7.04 3.32 -0.54 -2.76 116.42 122.96 3krm h ASP 555 Ca 0.46 0.01 0.26 0.00 0.02 0.00 0.00 57.03 57.78 3krm h ASP 555 Cb 0.70 0.09 -0.17 0.00 0.22 0.00 0.00 39.33 40.17 3krm h ASP 555 CO -0.22 -0.09 0.05 -0.38 -1.72 0.00 0.00 179.24 176.88 3krm n ILE 556 N -4.02 -0.38 -0.11 0.35 5.41 -0.36 -1.24 119.36 119.01 3krm n ILE 556 Ca -0.05 1.98 -0.10 0.00 1.00 0.00 0.00 62.75 65.59 3krm n ILE 556 Cb 0.17 -2.92 -0.02 0.00 -0.71 0.00 0.00 39.64 36.16 3krm n ILE 556 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3krm h LEU 557 N 0.00 0.46 -1.09 1.39 3.38 -1.30 -2.42 115.31 115.73 3krm h LEU 557 Ca 0.57 -0.18 0.17 0.00 0.09 0.00 0.00 57.88 58.53 3krm h LEU 557 Cb 1.20 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 3krm h LEU 557 CO -0.84 0.52 0.61 0.00 0.09 0.00 0.00 178.44 178.82 3krm h ALA 558 N 0.96 1.71 -0.33 1.53 0.00 -0.87 -2.71 119.26 119.56 3krm h ALA 558 Ca 0.11 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3krm h ALA 558 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3krm h ALA 558 CO -0.01 -0.04 -0.07 1.96 0.00 0.00 0.00 179.25 181.09 3krm h GLN 559 N 0.77 0.63 -0.60 0.00 4.20 -1.05 -2.90 115.11 116.16 3krm h GLN 559 Ca 0.54 -0.24 0.14 0.00 0.06 0.00 0.00 58.65 59.15 3krm h GLN 559 Cb 0.83 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 3krm h GLN 559 CO -0.32 0.80 0.41 0.28 -0.67 0.00 0.00 178.83 179.33 3krm h VAL 560 N 0.41 0.79 0.00 -0.54 2.07 -1.20 0.55 116.25 118.33 3krm h VAL 560 Ca 0.08 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3krm h VAL 560 Cb 0.57 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3krm h VAL 560 CO 0.03 0.04 0.00 0.29 0.02 0.00 0.00 177.57 177.95 3krm n LYS 561 N -4.43 0.00 0.00 1.57 5.02 -1.10 -5.12 118.16 114.11 3krm n LYS 561 Ca 0.11 0.47 0.13 0.00 -2.02 0.00 0.00 58.31 57.00 3krm n LYS 561 Cb 0.52 -1.50 0.76 0.00 -0.02 0.00 0.00 35.03 34.79 3krm n LYS 561 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92