#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 2.56 -0.01 3.69 2.02 0.99 -4.79 118.70 123.16 3krm s GLU 406 Ca 0.00 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 54.58 3krm s GLU 406 Cb 0.00 -2.35 -0.00 0.00 0.10 0.00 0.00 34.13 31.87 3krm s GLU 406 CO 0.00 -0.83 -0.07 1.41 0.02 0.00 0.00 175.26 175.79 3krm s MET 407 N -4.94 0.59 0.00 1.61 1.75 -1.26 -1.52 119.30 115.54 3krm s MET 407 Ca 0.56 -0.24 0.01 0.00 -1.25 0.00 0.00 55.69 54.77 3krm s MET 407 Cb -0.10 -0.58 -0.00 0.00 2.84 0.00 0.00 34.83 36.98 3krm s MET 407 CO 0.42 0.13 -0.02 0.08 -0.65 0.00 0.00 175.02 174.98 3krm s VAL 408 N -0.08 0.18 -0.20 10.11 1.01 -0.44 -4.54 120.40 126.44 3krm s VAL 408 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 3krm s VAL 408 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 3krm s VAL 408 CO -0.00 -0.01 -0.02 -1.10 0.00 0.00 0.00 175.10 173.97 3krm s GLN 409 N -0.20 3.53 -0.19 2.72 -0.21 -0.21 -1.05 119.66 124.05 3krm s GLN 409 Ca -0.01 -0.56 -0.01 0.00 0.02 0.00 0.00 55.36 54.80 3krm s GLN 409 Cb -0.02 -3.03 -0.00 0.00 1.00 0.00 0.00 33.01 30.97 3krm s GLN 409 CO -0.00 -0.03 -0.12 0.08 -2.12 0.00 0.00 175.29 173.10 3krm s VAL 410 N 1.09 2.85 -0.20 1.09 1.01 0.81 -0.24 120.40 126.81 3krm s VAL 410 Ca 0.02 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 3krm s VAL 410 Cb -0.14 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3krm s VAL 410 CO 0.01 0.48 0.48 -0.36 0.00 0.00 0.00 175.10 175.71 3krm s PHE 411 N 1.16 3.37 0.17 5.22 0.08 -0.06 0.26 117.98 128.17 3krm s PHE 411 Ca 0.01 0.72 0.11 0.00 0.12 0.00 0.00 56.93 57.89 3krm s PHE 411 Cb -0.14 -2.62 -0.04 0.00 -0.57 0.00 0.00 43.02 39.65 3krm s PHE 411 CO -0.04 -0.07 -0.22 0.96 -0.10 0.00 0.00 175.22 175.76 3krm s ILE 412 N 1.50 2.51 0.23 0.64 -4.36 -0.27 -4.09 121.20 117.36 3krm s ILE 412 Ca 0.22 -1.85 -0.31 0.00 -0.26 0.00 0.00 60.65 58.45 3krm s ILE 412 Cb -0.15 -2.18 -0.14 0.00 1.25 0.00 0.00 42.46 41.23 3krm s ILE 412 CO 0.09 -0.04 1.29 -2.65 0.24 0.00 0.00 174.94 173.87 3krm n PRO 413 N 0.45 1.70 0.08 0.37 -0.02 -1.26 -0.51 135.00 135.80 3krm n PRO 413 Ca -0.14 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 61.98 3krm n PRO 413 Cb 0.55 -2.18 0.42 0.00 -0.02 0.00 0.00 33.50 32.27 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 3.68 1.63 0.00 3.55 0.00 -1.42 -1.39 119.26 125.30 3krm h ALA 414 Ca -0.44 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3krm h ALA 414 Cb 1.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3krm h ALA 414 CO 0.72 0.28 0.00 0.00 0.00 0.00 0.00 179.25 180.25 3krm n GLN 415 N -4.39 0.48 0.00 0.00 0.00 -1.26 -2.57 117.38 109.64 3krm n GLN 415 Ca 0.01 0.04 0.10 0.00 0.00 0.00 0.00 57.00 57.15 3krm n GLN 415 Cb 0.16 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 28.96 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 -1.10 2.82 -0.16 2.61 0.00 -0.52 -4.45 120.51 119.70 3krm n ALA 416 Ca 0.12 -0.64 -0.05 0.00 0.00 0.00 0.00 53.44 52.87 3krm n ALA 416 Cb 0.09 -0.70 0.04 0.00 0.00 0.00 0.00 19.45 18.88 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 3.37 1.01 -0.08 0.00 2.07 -1.64 -0.93 116.25 120.05 3krm h VAL 417 Ca 0.00 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.37 3krm h VAL 417 Cb 0.79 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3krm h VAL 417 CO 0.00 0.10 -0.23 1.23 0.02 0.00 0.00 177.57 178.69 3krm h GLY 418 N 0.55 -0.27 0.50 2.17 0.00 -1.83 -0.54 103.07 103.64 3krm h GLY 418 Ca 0.21 0.28 0.10 0.00 0.00 0.00 0.00 47.33 47.92 3krm h GLY 418 CO -0.12 -0.20 0.48 0.00 0.00 0.00 0.00 176.54 176.70 3krm h ALA 419 N 0.60 1.20 0.00 3.60 0.00 -1.70 -0.30 119.26 122.67 3krm h ALA 419 Ca 0.09 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3krm h ALA 419 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3krm h ALA 419 CO -0.26 0.09 -0.44 0.82 0.00 0.00 0.00 179.25 179.45 3krm h ILE 420 N 0.79 0.88 0.00 0.00 1.08 -0.40 -3.28 117.51 116.58 3krm h ILE 420 Ca 0.41 -1.86 -0.07 0.00 -0.39 0.00 0.00 64.86 62.95 3krm h ILE 420 Cb 0.39 2.16 -0.01 0.00 -3.07 0.00 0.00 36.82 36.30 3krm h ILE 420 CO -0.26 0.43 -0.42 0.40 -0.69 0.00 0.00 178.15 177.62 3krm h ILE 421 N 0.00 1.11 0.00 -0.67 2.04 -0.68 -3.11 117.51 116.20 3krm h ILE 421 Ca -0.00 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 63.88 3krm h ILE 421 Cb 1.13 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 3krm h ILE 421 CO 0.06 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.19 3krm n GLY 422 N 1.58 1.21 3.68 5.37 0.00 -0.16 -0.25 105.19 116.62 3krm n GLY 422 Ca -0.15 -1.82 -0.49 0.00 0.00 0.00 0.00 46.02 43.56 3krm n GLY 422 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3krm n LYS 423 N 1.20 2.10 -3.99 1.61 5.02 -1.26 -1.49 118.16 121.35 3krm n LYS 423 Ca 0.00 0.77 -0.30 0.00 -2.02 0.00 0.00 58.31 56.76 3krm n LYS 423 Cb 0.00 -2.60 -0.00 0.00 -0.02 0.00 0.00 35.03 32.41 3krm n LYS 423 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3krm n LYS 424 N 6.37 -4.22 -0.80 1.97 5.02 -1.26 -1.54 118.16 123.71 3krm n LYS 424 Ca 0.23 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 3krm n LYS 424 Cb 0.28 -5.11 0.00 0.00 -0.02 0.00 0.00 35.03 30.18 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 -1.66 0.25 0.27 0.72 0.00 -0.56 -4.86 105.19 99.35 3krm n GLY 425 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 0.67 0.11 -0.07 1.61 4.20 -1.31 -2.66 115.11 117.66 3krm h GLN 426 Ca 0.00 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 3krm h GLN 426 Cb 0.29 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.05 3krm h GLN 426 CO 0.00 0.07 -0.76 1.25 -0.67 0.00 0.00 178.83 178.72 3krm h HIS 427 N 0.11 0.91 -0.43 2.96 2.76 -1.38 -1.65 115.15 118.44 3krm h HIS 427 Ca 0.40 -0.44 -0.12 0.00 -2.20 0.00 0.00 60.37 58.01 3krm h HIS 427 Cb 0.70 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.52 3krm h HIS 427 CO -0.40 1.26 -0.22 0.97 -1.30 0.00 0.00 177.93 178.24 3krm h ILE 428 N 0.30 1.27 -0.32 6.26 2.10 -0.45 0.20 117.51 126.87 3krm h ILE 428 Ca -0.07 -1.36 -0.09 0.00 1.08 0.00 0.00 64.86 64.42 3krm h ILE 428 Cb 1.42 1.18 -0.02 0.00 -1.09 0.00 0.00 36.82 38.31 3krm h ILE 428 CO 0.15 0.46 -0.16 0.11 -1.08 0.00 0.00 178.15 177.63 3krm h LYS 429 N 0.75 0.57 0.00 2.19 1.57 -1.48 -0.67 116.57 119.50 3krm h LYS 429 Ca 0.10 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 3krm h LYS 429 Cb 0.76 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3krm h LYS 429 CO 0.06 0.71 -0.25 0.37 -0.57 0.00 0.00 179.45 179.77 3krm h GLN 430 N 0.52 0.00 0.08 3.15 4.15 -0.61 -1.21 115.11 121.19 3krm h GLN 430 Ca 0.09 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.20 3krm h GLN 430 Cb 0.58 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 3krm h GLN 430 CO 0.04 0.25 -1.66 1.25 -1.93 0.00 0.00 178.83 176.78 3krm h LEU 431 N 0.00 0.28 -0.29 -2.39 5.85 0.31 -2.70 115.31 116.37 3krm h LEU 431 Ca -0.00 -0.47 -0.20 0.00 0.84 0.00 0.00 57.88 58.05 3krm h LEU 431 Cb 0.77 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 3krm h LEU 431 CO 0.03 1.40 -0.84 0.77 -0.34 0.00 0.00 178.44 179.47 3krm h SER 432 N 0.05 0.49 0.10 1.25 4.64 -1.09 -0.66 113.55 118.33 3krm h SER 432 Ca -0.28 -0.36 0.02 0.00 -0.47 0.00 0.00 61.79 60.69 3krm h SER 432 Cb 2.01 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.92 3krm h SER 432 CO 0.12 1.13 -0.23 -0.09 -0.87 0.00 0.00 176.83 176.90 3krm h ARG 433 N 0.24 -0.40 -0.41 4.77 2.43 -1.30 1.62 114.38 121.34 3krm h ARG 433 Ca -0.05 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3krm h ARG 433 Cb 1.45 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.07 3krm h ARG 433 CO 0.14 -0.27 0.22 0.35 -1.51 0.00 0.00 179.97 178.91 3krm h PHE 434 N -0.42 0.54 0.00 2.20 3.57 -1.42 -3.07 116.94 118.34 3krm h PHE 434 Ca 0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3krm h PHE 434 Cb 0.44 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.00 3krm h PHE 434 CO -0.22 0.38 -1.71 0.00 -2.23 0.00 0.00 178.31 174.53 3krm n ALA 435 N -2.47 2.85 -3.37 2.41 0.00 -0.26 -4.97 120.51 114.69 3krm n ALA 435 Ca 0.03 -0.46 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 3krm n ALA 435 Cb 0.10 -0.84 0.04 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.31 -6.42 -3.90 0.00 7.64 0.55 -4.40 113.62 104.77 3krm n SER 436 Ca -0.03 -0.67 -0.10 0.00 1.01 0.00 0.00 58.87 59.08 3krm n SER 436 Cb 0.55 -4.46 -0.10 0.00 -1.01 0.00 0.00 64.21 59.19 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 -3.29 -0.19 0.09 -0.43 0.00 -1.18 -4.82 121.76 111.94 3krm s ALA 437 Ca 0.33 -0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.70 3krm s ALA 437 Cb -0.08 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.11 3krm s ALA 437 CO 0.79 -0.20 1.28 -1.12 0.00 0.00 0.00 175.76 176.51 3krm s SER 438 N -1.45 6.97 -0.36 0.00 0.01 -0.66 -4.66 113.70 113.55 3krm s SER 438 Ca -0.15 2.16 0.00 0.00 1.31 0.00 0.00 55.95 59.28 3krm s SER 438 Cb -0.08 -2.58 0.14 0.00 0.21 0.00 0.00 66.02 63.70 3krm s SER 438 CO 0.01 -0.54 0.21 -0.63 0.41 0.00 0.00 173.24 172.69 3krm s ILE 439 N 1.00 0.23 -0.06 1.44 1.01 -1.26 -1.51 121.20 122.05 3krm s ILE 439 Ca 0.61 -1.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.46 3krm s ILE 439 Cb -0.33 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3krm s ILE 439 CO 0.30 -0.97 0.18 -0.54 0.00 0.00 0.00 174.94 173.90 3krm s LYS 440 N 1.05 3.47 -0.31 2.79 -0.14 -0.63 -4.95 119.74 121.02 3krm s LYS 440 Ca 0.18 -0.18 -0.09 0.00 -1.36 0.00 0.00 55.97 54.51 3krm s LYS 440 Cb -0.23 -3.15 -0.01 0.00 -1.68 0.00 0.00 37.83 32.77 3krm s LYS 440 CO -0.00 0.73 0.15 0.42 -0.76 0.00 0.00 175.35 175.88 3krm s ILE 441 N -1.17 4.58 0.49 2.17 1.01 -1.26 -0.79 121.20 126.24 3krm s ILE 441 Ca 0.21 -0.39 -0.23 0.00 0.00 0.00 0.00 60.65 60.24 3krm s ILE 441 Cb -0.12 -3.32 -0.07 0.00 0.01 0.00 0.00 42.46 38.96 3krm s ILE 441 CO 0.11 0.09 1.27 0.00 0.00 0.00 0.00 174.94 176.41 3krm s ALA 442 N 1.61 2.95 0.72 9.38 0.00 -0.91 -5.01 121.76 130.51 3krm s ALA 442 Ca 0.05 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.03 3krm s ALA 442 Cb -0.17 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.50 3krm s ALA 442 CO 0.06 -0.99 1.10 -2.14 0.00 0.00 0.00 175.76 173.79 3krm s PRO 443 N -2.72 2.53 0.21 0.00 0.02 -1.26 -4.55 135.00 129.24 3krm s PRO 443 Ca 0.66 1.24 -0.30 0.00 0.02 0.00 0.00 61.00 62.62 3krm s PRO 443 Cb -0.35 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.16 3krm s PRO 443 CO 0.42 -1.44 1.26 -2.14 -0.33 0.00 0.00 177.00 174.78 3krm s PRO 444 N -4.57 4.43 0.57 5.54 0.02 -1.26 -4.92 135.00 134.81 3krm s PRO 444 Ca 0.63 2.00 0.34 0.00 0.02 0.00 0.00 61.00 63.99 3krm s PRO 444 Cb -0.18 -3.20 1.64 0.00 0.02 0.00 0.00 34.50 32.78 3krm s PRO 444 CO 0.50 -0.17 2.10 0.93 -0.33 0.00 0.00 177.00 180.02 3krm h GLU 445 N 5.12 0.00 -3.96 5.54 5.08 -1.96 -3.44 114.58 120.96 3krm h GLU 445 Ca -0.45 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.67 3krm h GLU 445 Cb 1.21 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.20 3krm h GLU 445 CO 0.75 0.05 -0.72 0.95 -1.00 0.00 0.00 179.01 179.04 3krm s THR 446 N -3.94 0.15 0.10 1.13 -4.23 -1.26 -5.08 115.64 102.51 3krm s THR 446 Ca -0.02 -0.30 -0.27 0.00 -1.18 0.00 0.00 61.69 59.92 3krm s THR 446 Cb 0.11 -0.18 -0.10 0.00 1.34 0.00 0.00 72.50 73.68 3krm s THR 446 CO 0.53 -0.10 1.45 -0.65 -0.54 0.00 0.00 174.62 175.31 3krm h PRO 447 N 5.72 -0.38 -1.05 3.99 0.11 -2.04 -2.99 132.00 135.36 3krm h PRO 447 Ca -0.27 0.03 -0.60 0.00 0.11 0.00 0.00 66.00 65.27 3krm h PRO 447 Cb 1.21 0.09 -0.28 0.00 0.11 0.00 0.00 31.00 32.13 3krm h PRO 447 CO 0.48 -0.26 0.77 -0.25 -0.21 0.00 0.00 178.00 178.53 3krm n ASP 448 N -4.89 6.49 -4.62 -2.05 8.00 -1.26 -5.02 116.55 113.20 3krm n ASP 448 Ca -0.04 -3.65 -0.44 0.00 0.71 0.00 0.00 54.79 51.38 3krm n ASP 448 Cb 0.29 -0.94 -0.01 0.00 -0.02 0.00 0.00 41.12 40.44 3krm n ASP 448 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3krm n SER 449 N -0.85 1.73 -0.03 -2.24 3.41 -1.13 -4.94 113.62 109.57 3krm n SER 449 Ca 0.58 1.17 -0.13 0.00 -0.26 0.00 0.00 58.87 60.23 3krm n SER 449 Cb 0.92 -1.35 -0.11 0.00 -0.26 0.00 0.00 64.21 63.41 3krm n SER 449 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3krm h LYS 450 N 2.11 -0.01 -6.15 4.33 -0.00 -1.95 -3.44 116.57 111.44 3krm h LYS 450 Ca -0.42 0.00 -0.50 0.00 -0.00 0.00 0.00 60.65 59.73 3krm h LYS 450 Cb 1.32 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.51 3krm h LYS 450 CO 0.61 0.63 -0.42 0.14 -0.00 0.00 0.00 179.45 180.40 3krm s VAL 451 N -3.56 2.94 0.11 0.07 -7.23 -1.26 -1.17 120.40 110.30 3krm s VAL 451 Ca -0.17 -1.41 0.08 0.00 -1.81 0.00 0.00 61.98 58.67 3krm s VAL 451 Cb 0.00 -3.05 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 3krm s VAL 451 CO 0.66 -0.07 -0.19 -0.13 -0.31 0.00 0.00 175.10 175.06 3krm s ARG 452 N -4.04 1.10 -0.25 4.82 1.81 0.33 -4.69 118.95 118.03 3krm s ARG 452 Ca 0.44 -1.19 -0.09 0.00 -1.72 0.00 0.00 55.73 53.17 3krm s ARG 452 Cb -0.03 -1.25 -0.04 0.00 -0.45 0.00 0.00 34.95 33.17 3krm s ARG 452 CO 0.27 0.28 0.14 1.41 -0.68 0.00 0.00 175.30 176.71 3krm s MET 453 N -2.14 3.89 -0.13 3.54 -2.45 -1.26 -1.11 119.30 119.63 3krm s MET 453 Ca 0.07 -0.36 -0.16 0.00 -1.25 0.00 0.00 55.69 54.00 3krm s MET 453 Cb -0.09 -3.49 -0.04 0.00 1.25 0.00 0.00 34.83 32.46 3krm s MET 453 CO 0.04 -0.09 0.39 0.08 1.05 0.00 0.00 175.02 176.49 3krm s VAL 454 N 1.43 5.24 -0.20 10.11 1.01 0.14 -2.13 120.40 136.00 3krm s VAL 454 Ca 0.06 0.76 -0.04 0.00 0.00 0.00 0.00 61.98 62.76 3krm s VAL 454 Cb -0.15 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3krm s VAL 454 CO 0.07 0.36 -0.02 -0.63 0.00 0.00 0.00 175.10 174.88 3krm s ILE 455 N 0.49 3.71 -0.11 2.22 1.01 0.03 -0.14 121.20 128.42 3krm s ILE 455 Ca 0.21 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.50 3krm s ILE 455 Cb -0.14 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.67 3krm s ILE 455 CO 0.07 0.43 -0.19 -0.63 0.00 0.00 0.00 174.94 174.63 3krm s ILE 456 N 1.08 1.77 -0.08 2.92 1.01 -0.22 -1.61 121.20 126.06 3krm s ILE 456 Ca 0.02 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.86 3krm s ILE 456 Cb -0.14 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.77 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 0.74 1.12 0.00 2.92 2.01 -0.57 -1.33 115.64 120.52 3krm s THR 457 Ca -0.11 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.47 3krm s THR 457 Cb -0.16 -1.05 0.00 0.00 0.01 0.00 0.00 72.50 71.30 3krm s THR 457 CO 0.02 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 3krm n GLY 458 N 4.19 0.78 3.75 4.40 0.00 -0.57 -1.66 105.19 116.09 3krm n GLY 458 Ca -0.20 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 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 1.33 0.28 1.61 0.05 -1.26 -0.01 135.00 135.00 3krm s PRO 459 Ca 0.00 0.58 0.02 0.00 0.05 0.00 0.00 61.00 61.65 3krm s PRO 459 Cb 0.00 -1.84 0.68 0.00 0.05 0.00 0.00 34.50 33.39 3krm s PRO 459 CO 0.00 -2.13 1.70 -1.35 0.05 0.00 0.00 177.00 175.27 3krm h PRO 460 N -1.46 0.40 -0.70 0.56 0.11 -1.98 0.14 132.00 129.08 3krm h PRO 460 Ca -0.50 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.69 3krm h PRO 460 Cb 1.30 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 3krm h PRO 460 CO 0.58 0.26 0.31 0.93 -0.21 0.00 0.00 178.00 179.88 3krm h GLU 461 N 0.41 0.51 -0.10 1.05 3.07 -1.97 -0.12 114.58 117.42 3krm h GLU 461 Ca 0.53 -0.03 -0.22 0.00 -0.50 0.00 0.00 59.36 59.14 3krm h GLU 461 Cb 0.98 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.78 3krm h GLU 461 CO -0.51 0.33 -0.81 0.00 -1.40 0.00 0.00 179.01 176.62 3krm h ALA 462 N 1.45 0.37 -0.47 3.43 0.00 -0.99 -2.66 119.26 120.39 3krm h ALA 462 Ca 0.35 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3krm h ALA 462 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3krm h ALA 462 CO -0.31 0.72 0.29 1.96 0.00 0.00 0.00 179.25 181.91 3krm h GLN 463 N 0.42 0.57 0.09 0.00 1.08 -0.68 -0.89 115.11 115.69 3krm h GLN 463 Ca -0.06 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3krm h GLN 463 Cb 1.43 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 3krm h GLN 463 CO 0.16 0.38 -0.04 0.35 -0.95 0.00 0.00 178.83 178.72 3krm h PHE 464 N 0.58 -0.11 -0.03 2.96 3.57 -0.94 -0.11 116.94 122.86 3krm h PHE 464 Ca 0.18 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3krm h PHE 464 Cb -0.01 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 3krm h PHE 464 CO -0.06 -0.03 0.01 0.87 -2.23 0.00 0.00 178.31 176.87 3krm h LYS 465 N -0.16 0.05 -0.44 1.11 1.57 -1.35 -1.19 116.57 116.16 3krm h LYS 465 Ca -0.01 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3krm h LYS 465 Cb 0.13 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3krm h LYS 465 CO 0.02 0.18 0.17 0.00 -0.57 0.00 0.00 179.45 179.25 3krm h ALA 466 N 0.87 0.58 -0.53 3.86 0.00 -1.10 -0.70 119.26 122.23 3krm h ALA 466 Ca 0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3krm h ALA 466 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3krm h ALA 466 CO -0.00 0.19 -0.10 1.96 0.00 0.00 0.00 179.25 181.30 3krm h GLN 467 N 0.58 0.99 -0.34 0.00 4.20 -0.99 -1.98 115.11 117.56 3krm h GLN 467 Ca 0.15 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 3krm h GLN 467 Cb 0.21 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3krm h GLN 467 CO -0.01 1.03 0.19 0.78 -0.67 0.00 0.00 178.83 180.16 3krm h GLY 468 N 0.95 0.51 1.72 3.46 0.00 -1.00 -1.41 103.07 107.30 3krm h GLY 468 Ca 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 3krm h GLY 468 CO 0.05 0.22 0.04 3.21 0.00 0.00 0.00 176.54 180.06 3krm h ARG 469 N 0.43 0.36 0.15 4.80 2.47 -1.01 -0.40 114.38 121.18 3krm h ARG 469 Ca 0.12 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 3krm h ARG 469 Cb 0.04 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 3krm h ARG 469 CO -0.02 0.35 -0.07 0.82 0.56 0.00 0.00 179.97 181.61 3krm h ILE 470 N 0.36 0.96 -0.98 2.04 2.04 -0.74 0.45 117.51 121.63 3krm h ILE 470 Ca 0.09 -1.11 0.21 0.00 1.00 0.00 0.00 64.86 65.04 3krm h ILE 470 Cb 0.17 1.57 -0.11 0.00 -0.74 0.00 0.00 36.82 37.71 3krm h ILE 470 CO -0.00 0.23 0.58 1.88 0.00 0.00 0.00 178.15 180.84 3krm h TYR 471 N -0.79 1.00 -0.04 1.37 -1.99 -1.25 -2.20 116.97 113.08 3krm h TYR 471 Ca -0.02 0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.66 3krm h TYR 471 Cb 0.53 -0.29 0.01 0.00 2.00 0.00 0.00 36.73 38.98 3krm h TYR 471 CO 0.09 0.16 -0.31 0.78 -0.00 0.00 0.00 178.16 178.88 3krm h GLY 472 N 0.68 0.30 0.97 3.88 0.00 -0.95 -2.70 103.07 105.25 3krm h GLY 472 Ca 0.59 -0.46 0.10 0.00 0.00 0.00 0.00 47.33 47.56 3krm h GLY 472 CO -0.42 0.41 0.43 1.70 0.00 0.00 0.00 176.54 178.66 3krm h LYS 473 N -0.29 0.44 -0.28 4.80 1.63 -0.70 -1.05 116.57 121.12 3krm h LYS 473 Ca -0.03 -0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.62 3krm h LYS 473 Cb 0.99 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.51 3krm h LYS 473 CO 0.06 0.29 -0.36 -0.07 -3.45 0.00 0.00 179.45 175.92 3krm h LEU 474 N 0.45 0.66 0.74 5.20 3.38 -1.23 -1.35 115.31 123.16 3krm h LEU 474 Ca 0.30 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3krm h LEU 474 Cb 0.56 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.14 3krm h LEU 474 CO -0.09 0.96 -0.35 0.50 0.09 0.00 0.00 178.44 179.54 3krm h LYS 475 N 0.53 -0.96 -0.73 1.13 1.63 -0.98 -2.47 116.57 114.72 3krm h LYS 475 Ca 0.05 0.07 0.12 0.00 -0.85 0.00 0.00 60.65 60.04 3krm h LYS 475 Cb 0.87 0.22 -0.13 0.00 -0.60 0.00 0.00 32.23 32.58 3krm h LYS 475 CO 0.07 -0.62 -0.34 0.93 -3.45 0.00 0.00 179.45 176.05 3krm h GLU 476 N -1.11 -0.10 0.00 1.90 5.08 -1.17 -0.13 114.58 119.06 3krm h GLU 476 Ca -0.10 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3krm h GLU 476 Cb 0.78 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3krm h GLU 476 CO 0.17 -0.07 0.00 0.39 -1.00 0.00 0.00 179.01 178.50 3krm n GLU 477 N -5.45 0.84 -3.67 2.33 -0.58 -0.51 -4.85 120.64 108.75 3krm n GLU 477 Ca 0.06 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.56 3krm n GLU 477 Cb 0.37 -1.07 0.07 0.00 -0.57 0.00 0.00 31.44 30.24 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 -0.57 -5.48 0.09 1.62 3.02 -0.06 -4.86 115.26 109.01 3krm n ASN 478 Ca 0.03 -0.61 -0.01 0.00 -0.03 0.00 0.00 54.58 53.95 3krm n ASN 478 Cb 0.01 -4.73 -0.04 0.00 -0.61 0.00 0.00 39.78 34.41 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 -2.47 0.00 -3.51 3.10 -1.00 -1.65 -3.42 116.94 107.98 3krm h PHE 479 Ca -0.58 0.00 -0.67 0.00 2.81 0.00 0.00 57.97 59.54 3krm h PHE 479 Cb 1.37 0.00 -0.18 0.00 3.61 0.00 0.00 35.95 40.75 3krm h PHE 479 CO 0.51 0.68 -0.80 -0.06 -1.61 0.00 0.00 178.31 177.03 3krm s PHE 480 N -2.87 2.47 -4.19 -0.55 0.40 -1.25 -5.09 117.98 106.90 3krm s PHE 480 Ca 0.02 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 3krm s PHE 480 Cb 0.08 -1.28 0.00 0.00 0.51 0.00 0.00 43.02 42.33 3krm s PHE 480 CO 0.78 0.43 0.00 0.41 0.70 0.00 0.00 175.22 177.54 3krm n GLY 481 N 0.57 -2.05 0.10 4.36 0.00 -1.26 -4.81 105.19 102.10 3krm n GLY 481 Ca -0.14 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3krm n GLY 481 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3krm h PRO 482 N 0.00 0.00 -1.71 1.61 0.13 -2.00 -3.40 132.00 126.63 3krm h PRO 482 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 3krm h PRO 482 Cb 0.00 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 30.90 3krm h PRO 482 CO 0.00 0.30 0.75 1.63 -0.23 0.00 0.00 178.00 180.45 3krm n LYS 483 N -2.91 2.51 -4.24 0.86 5.02 -1.26 -4.89 118.16 113.25 3krm n LYS 483 Ca -0.09 -2.88 -0.23 0.00 -2.02 0.00 0.00 58.31 53.09 3krm n LYS 483 Cb 0.83 -2.15 -0.17 0.00 -0.02 0.00 0.00 35.03 33.53 3krm n LYS 483 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3krm s GLU 484 N -3.08 1.26 0.18 1.97 2.12 -1.26 -5.11 118.70 114.77 3krm s GLU 484 Ca 0.54 -0.23 -0.30 0.00 0.36 0.00 0.00 54.97 55.34 3krm s GLU 484 Cb 0.41 -1.19 -0.08 0.00 0.26 0.00 0.00 34.13 33.54 3krm s GLU 484 CO -0.22 -0.09 1.12 -1.21 -0.54 0.00 0.00 175.26 174.32 3krm s GLU 485 N 1.04 4.57 -0.12 4.30 0.41 -1.26 -4.49 118.70 123.15 3krm s GLU 485 Ca -0.08 1.75 -0.29 0.00 -0.41 0.00 0.00 54.97 55.93 3krm s GLU 485 Cb -0.14 -3.27 -0.04 0.00 -1.78 0.00 0.00 34.13 28.89 3krm s GLU 485 CO -0.00 0.04 1.67 0.08 -0.49 0.00 0.00 175.26 176.55 3krm s VAL 486 N -0.19 3.60 -0.13 2.63 1.01 -1.26 -5.00 120.40 121.06 3krm s VAL 486 Ca 0.50 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.17 3krm s VAL 486 Cb -0.30 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3krm s VAL 486 CO 0.35 -0.14 -0.08 -0.54 0.00 0.00 0.00 175.10 174.68 3krm s LYS 487 N 4.38 3.42 0.10 2.72 1.02 -1.26 -4.06 119.74 126.05 3krm s LYS 487 Ca 0.74 -0.60 0.06 0.00 0.02 0.00 0.00 55.97 56.19 3krm s LYS 487 Cb -0.30 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.23 3krm s LYS 487 CO 0.30 0.29 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.35 3krm s LEU 488 N 0.19 2.33 0.03 3.17 1.43 -0.81 -4.93 118.68 120.10 3krm s LEU 488 Ca -0.05 -0.70 -0.19 0.00 -1.03 0.00 0.00 54.13 52.16 3krm s LEU 488 Cb -0.14 -0.63 -0.06 0.00 0.03 0.00 0.00 46.19 45.39 3krm s LEU 488 CO 0.04 -0.06 0.54 -0.70 0.23 0.00 0.00 176.35 176.39 3krm s GLU 489 N -2.11 4.18 -0.03 1.70 2.12 -1.26 -3.01 118.70 120.29 3krm s GLU 489 Ca 0.04 0.66 0.01 0.00 0.36 0.00 0.00 54.97 56.05 3krm s GLU 489 Cb -0.08 -3.27 0.01 0.00 0.26 0.00 0.00 34.13 31.05 3krm s GLU 489 CO 0.03 0.56 -0.05 0.99 -0.54 0.00 0.00 175.26 176.25 3krm s THR 490 N -0.81 0.51 -0.09 -1.70 2.01 0.00 -0.88 115.64 114.69 3krm s THR 490 Ca 0.28 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.12 3krm s THR 490 Cb -0.18 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 3krm s THR 490 CO 0.17 0.19 -0.12 -1.00 -0.69 0.00 0.00 174.62 173.17 3krm s HIS 491 N 0.52 2.80 -0.04 4.92 3.76 0.67 -0.75 115.29 127.17 3krm s HIS 491 Ca -0.07 -0.31 0.07 0.00 -0.15 0.00 0.00 55.06 54.60 3krm s HIS 491 Cb -0.10 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.83 3krm s HIS 491 CO 0.00 0.06 -0.25 0.96 -0.85 0.00 0.00 174.74 174.65 3krm s ILE 492 N -0.29 2.10 0.08 0.60 -4.36 -0.85 -1.04 121.20 117.44 3krm s ILE 492 Ca 0.03 -1.07 -0.22 0.00 -0.26 0.00 0.00 60.65 59.12 3krm s ILE 492 Cb -0.13 -1.74 -0.07 0.00 1.25 0.00 0.00 42.46 41.78 3krm s ILE 492 CO 0.03 0.58 0.67 -0.13 0.24 0.00 0.00 174.94 176.32 3krm s ARG 493 N -0.41 4.38 0.03 0.37 1.81 -1.26 -0.85 118.95 123.02 3krm s ARG 493 Ca 0.04 0.92 0.02 0.00 -1.72 0.00 0.00 55.73 54.98 3krm s ARG 493 Cb -0.12 -3.29 -0.02 0.00 -0.45 0.00 0.00 34.95 31.07 3krm s ARG 493 CO 0.01 0.50 -0.07 0.14 -0.68 0.00 0.00 175.30 175.20 3krm s VAL 494 N -0.73 0.46 -0.39 3.52 -7.23 0.14 -4.92 120.40 111.25 3krm s VAL 494 Ca 0.33 -0.83 -0.43 0.00 -1.81 0.00 0.00 61.98 59.24 3krm s VAL 494 Cb -0.20 -0.50 -0.19 0.00 0.56 0.00 0.00 36.38 36.04 3krm s VAL 494 CO 0.21 -0.26 1.43 -2.65 -0.31 0.00 0.00 175.10 173.52 3krm n PRO 495 N 1.88 0.00 0.27 4.82 -0.02 -1.26 -0.71 135.00 139.98 3krm n PRO 495 Ca -0.20 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.40 3krm n PRO 495 Cb 0.56 -1.43 0.75 0.00 -0.02 0.00 0.00 33.50 33.36 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 4.40 1.46 -0.40 3.55 0.00 -1.10 0.17 119.26 127.33 3krm h ALA 496 Ca -0.43 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 3krm h ALA 496 Cb 1.31 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3krm h ALA 496 CO 0.87 0.11 -0.09 0.66 0.00 0.00 0.00 179.25 180.80 3krm h SER 497 N 0.00 0.68 1.28 0.00 4.64 -1.87 -3.27 113.55 115.02 3krm h SER 497 Ca -0.00 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.11 3krm h SER 497 Cb 0.21 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3krm h SER 497 CO 0.01 0.81 -0.73 0.00 -0.87 0.00 0.00 176.83 176.05 3krm h ALA 498 N 1.26 0.66 0.00 5.18 0.00 -1.03 -3.38 119.26 121.96 3krm h ALA 498 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3krm h ALA 498 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3krm h ALA 498 CO 0.03 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3krm h ALA 499 N 1.92 1.00 0.00 0.00 0.00 -1.48 0.46 119.26 121.16 3krm h ALA 499 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 3krm h ALA 499 Cb 1.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3krm h ALA 499 CO 0.01 0.00 -0.99 0.78 0.00 0.00 0.00 179.25 179.05 3krm h GLY 500 N 0.26 0.00 2.00 0.00 0.00 -1.80 -2.96 103.07 100.57 3krm h GLY 500 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3krm h GLY 500 CO 0.00 0.00 -0.49 3.21 0.00 0.00 0.00 176.54 179.26 3krm h ARG 501 N 0.00 0.00 -0.25 4.80 2.47 -1.18 0.42 114.38 120.64 3krm h ARG 501 Ca -0.03 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.51 3krm h ARG 501 Cb 1.73 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 30.05 3krm h ARG 501 CO 0.12 0.49 -0.55 0.28 0.56 0.00 0.00 179.97 180.87 3krm h VAL 502 N 0.00 1.29 -0.25 2.04 2.07 -1.46 -3.10 116.25 116.85 3krm h VAL 502 Ca -0.00 -1.76 -0.17 0.00 0.82 0.00 0.00 66.70 65.59 3krm h VAL 502 Cb 0.93 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3krm h VAL 502 CO 0.06 0.56 -0.51 0.40 0.02 0.00 0.00 177.57 178.10 3krm h ILE 503 N 0.57 1.29 -0.51 4.57 2.04 -1.40 -2.69 117.51 121.39 3krm h ILE 503 Ca 0.01 -1.71 0.02 0.00 1.00 0.00 0.00 64.86 64.18 3krm h ILE 503 Cb 1.13 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 3krm h ILE 503 CO 0.11 0.55 -0.16 0.61 0.00 0.00 0.00 178.15 179.27 3krm n GLY 504 N 0.42 -2.86 3.59 5.37 0.00 0.13 -2.17 105.19 109.67 3krm n GLY 504 Ca -0.05 -1.31 -0.51 0.00 0.00 0.00 0.00 46.02 44.14 3krm n GLY 504 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3krm n LYS 505 N -1.98 1.49 -0.96 1.61 5.02 -1.26 -0.98 118.16 121.09 3krm n LYS 505 Ca -0.01 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 3krm n LYS 505 Cb 0.08 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 3krm n LYS 505 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3krm n GLY 506 N 5.30 0.40 2.58 0.72 0.00 -1.26 -3.32 105.19 109.61 3krm n GLY 506 Ca 0.31 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.96 -0.50 0.13 -0.02 0.00 -0.15 -4.85 105.19 96.82 3krm n GLY 507 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.24 0.00 0.35 1.61 1.57 -1.52 -2.80 116.57 115.53 3krm h LYS 508 Ca -0.40 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.36 3krm h LYS 508 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3krm h LYS 508 CO 0.47 0.21 -0.17 1.15 -0.57 0.00 0.00 179.45 180.54 3krm h THR 509 N 0.00 0.09 -0.18 -0.16 2.02 -1.69 -2.73 112.91 110.26 3krm h THR 509 Ca -0.06 -0.69 0.05 0.00 0.77 0.00 0.00 66.41 66.48 3krm h THR 509 Cb 1.28 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3krm h THR 509 CO 0.03 0.02 0.14 1.62 0.37 0.00 0.00 175.52 177.70 3krm h VAL 510 N -1.10 0.78 -0.29 3.16 3.04 -1.10 -0.75 116.25 119.98 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 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 3krm h VAL 510 CO 0.08 0.00 0.10 -1.13 -1.01 0.00 0.00 177.57 175.61 3krm h ASN 511 N 0.00 0.42 -0.02 3.17 -1.24 -1.52 -2.63 115.58 113.76 3krm h ASN 511 Ca 0.08 -0.19 -0.16 0.00 0.71 0.00 0.00 56.30 56.75 3krm h ASN 511 Cb 0.37 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 3krm h ASN 511 CO -0.00 0.49 -0.52 -0.08 -1.29 0.00 0.00 177.43 176.04 3krm h GLU 512 N 0.32 0.59 -0.35 6.67 4.81 -0.86 -1.77 114.58 123.99 3krm h GLU 512 Ca 0.10 -0.35 0.06 0.00 -0.13 0.00 0.00 59.36 59.03 3krm h GLU 512 Cb 0.22 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 3krm h GLU 512 CO -0.01 0.96 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.16 3krm h LEU 513 N 0.46 -0.16 -0.76 1.64 3.38 -1.09 0.97 115.31 119.75 3krm h LEU 513 Ca 0.02 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3krm h LEU 513 Cb 1.06 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3krm h LEU 513 CO 0.10 -0.05 0.05 1.56 0.09 0.00 0.00 178.44 180.20 3krm h GLN 514 N 0.08 1.00 -0.01 1.13 4.20 -1.20 -1.32 115.11 119.00 3krm h GLN 514 Ca 0.17 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3krm h GLN 514 Cb 0.24 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 3krm h GLN 514 CO -0.29 0.95 0.01 -0.91 -0.67 0.00 0.00 178.83 177.91 3krm h ASN 515 N 0.93 0.01 -0.54 1.46 2.35 -0.77 0.71 115.58 119.74 3krm h ASN 515 Ca 0.18 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 3krm h ASN 515 Cb 0.47 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 3krm h ASN 515 CO 0.02 0.10 0.14 -0.07 -1.65 0.00 0.00 177.43 175.97 3krm h LEU 516 N -0.07 0.81 0.00 1.61 3.38 -0.68 -3.34 115.31 117.02 3krm h LEU 516 Ca 0.00 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3krm h LEU 516 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3krm h LEU 516 CO -0.00 0.83 -1.98 0.35 0.09 0.00 0.00 178.44 177.73 3krm n THR 517 N -4.42 0.18 -0.83 0.22 -2.24 -0.51 -4.98 114.28 101.69 3krm n THR 517 Ca 0.02 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3krm n THR 517 Cb 0.22 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.28 0.00 -1.76 6.98 0.00 0.24 -4.53 120.51 119.16 3krm n ALA 518 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 3krm n ALA 518 Cb 0.61 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.37 3.37 0.13 0.00 0.00 -1.26 -4.92 121.76 116.72 3krm s ALA 519 Ca 0.00 0.75 -0.31 0.00 0.00 0.00 0.00 51.96 52.40 3krm s ALA 519 Cb 0.00 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 3krm s ALA 519 CO 0.00 0.04 1.39 -1.21 0.00 0.00 0.00 175.76 175.99 3krm s GLU 520 N -1.29 4.32 -0.09 0.00 2.02 -0.11 -4.35 118.70 119.20 3krm s GLU 520 Ca 0.43 2.10 -0.00 0.00 0.02 0.00 0.00 54.97 57.51 3krm s GLU 520 Cb -0.29 -3.23 0.02 0.00 0.10 0.00 0.00 34.13 30.74 3krm s GLU 520 CO 0.36 -0.43 -0.05 0.08 0.02 0.00 0.00 175.26 175.24 3krm s VAL 521 N 0.97 0.77 -0.06 2.63 1.01 -1.26 -1.89 120.40 122.56 3krm s VAL 521 Ca 0.64 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.50 3krm s VAL 521 Cb -0.37 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.19 3krm s VAL 521 CO 0.31 0.32 -0.13 -0.69 0.00 0.00 0.00 175.10 174.91 3krm s VAL 522 N 1.66 1.17 -0.46 2.92 1.01 -0.77 -4.99 120.40 120.94 3krm s VAL 522 Ca 0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 3krm s VAL 522 Cb -0.13 -1.05 0.12 0.00 0.00 0.00 0.00 36.38 35.32 3krm s VAL 522 CO -0.06 0.36 0.28 -0.69 0.00 0.00 0.00 175.10 174.99 3krm s VAL 523 N 0.47 3.64 -0.15 2.92 1.01 -1.26 -1.16 120.40 125.88 3krm s VAL 523 Ca -0.11 -2.09 -0.40 0.00 0.00 0.00 0.00 61.98 59.39 3krm s VAL 523 Cb -0.14 -3.45 -0.17 0.00 0.00 0.00 0.00 36.38 32.62 3krm s VAL 523 CO 0.03 -0.74 1.54 -2.65 0.00 0.00 0.00 175.10 173.27 3krm n PRO 524 N 4.55 0.95 -2.68 2.72 -0.02 -1.26 -4.85 135.00 134.40 3krm n PRO 524 Ca -0.02 0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 3krm n PRO 524 Cb 0.41 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.14 4.70 -1.19 -0.52 1.81 -1.26 -4.11 118.95 120.52 3krm s ARG 525 Ca 0.94 1.52 -0.01 0.00 -1.72 0.00 0.00 55.73 56.46 3krm s ARG 525 Cb -1.09 -3.10 -0.01 0.00 -0.45 0.00 0.00 34.95 30.31 3krm s ARG 525 CO 0.60 0.35 0.96 -0.25 -0.68 0.00 0.00 175.30 176.28 3krm n ASP 526 N 1.10 -2.66 -4.41 0.23 8.00 -1.26 -5.02 116.55 112.53 3krm n ASP 526 Ca -0.00 -0.65 -0.27 0.00 0.71 0.00 0.00 54.79 54.57 3krm n ASP 526 Cb 0.47 -5.04 0.15 0.00 -0.02 0.00 0.00 41.12 36.68 3krm n ASP 526 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3krm s GLN 527 N -5.28 1.16 -0.37 -1.24 -0.21 -1.26 -5.04 119.66 107.43 3krm s GLN 527 Ca 0.07 -0.71 -0.05 0.00 0.02 0.00 0.00 55.36 54.69 3krm s GLN 527 Cb -0.01 -2.07 0.07 0.00 1.00 0.00 0.00 33.01 32.00 3krm s GLN 527 CO 0.74 -1.94 0.15 0.99 -2.12 0.00 0.00 175.29 173.11 3krm s THR 528 N -3.54 3.59 0.32 -0.19 2.01 -1.26 -5.08 115.64 111.50 3krm s THR 528 Ca 0.70 -1.52 -0.26 0.00 0.31 0.00 0.00 61.69 60.92 3krm s THR 528 Cb -0.05 -3.20 -0.14 0.00 0.01 0.00 0.00 72.50 69.12 3krm s THR 528 CO 0.49 -0.40 0.73 -2.65 -0.69 0.00 0.00 174.62 172.11 3krm n PRO 529 N 4.74 0.77 -0.31 4.92 -0.01 -1.26 -4.97 135.00 138.87 3krm n PRO 529 Ca -0.09 0.27 -0.05 0.00 -0.01 0.00 0.00 63.50 63.62 3krm n PRO 529 Cb 0.43 -1.54 0.03 0.00 -0.01 0.00 0.00 33.50 32.41 3krm n PRO 529 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 175.50 175.09 3krm n ASP 530 N 1.39 -0.05 -0.30 2.55 5.68 -0.50 -4.75 116.55 120.57 3krm n ASP 530 Ca 0.12 -1.06 0.11 0.00 -0.50 0.00 0.00 54.79 53.47 3krm n ASP 530 Cb 0.33 -0.17 0.25 0.00 -1.14 0.00 0.00 41.12 40.39 3krm n ASP 530 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3krm h GLU 531 N 0.00 0.09 -0.87 0.11 9.09 -1.94 0.10 114.58 121.17 3krm h GLU 531 Ca -0.07 -0.01 -0.12 0.00 0.05 0.00 0.00 59.36 59.21 3krm h GLU 531 Cb 0.20 -0.02 -0.07 0.00 -1.65 0.00 0.00 28.75 27.21 3krm h GLU 531 CO 0.05 0.06 0.15 0.09 0.05 0.00 0.00 179.01 179.41 3krm n ASN 532 N -5.37 3.52 -3.08 3.06 3.02 -1.26 -4.87 115.26 110.28 3krm n ASN 532 Ca 0.20 -2.67 -0.22 0.00 -0.03 0.00 0.00 54.58 51.86 3krm n ASN 532 Cb 0.65 -0.64 0.05 0.00 -0.61 0.00 0.00 39.78 39.23 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 0.03 -6.11 -4.46 6.41 2.03 0.36 -4.87 116.55 109.93 3krm n ASP 533 Ca 0.23 -0.34 -0.29 0.00 0.52 0.00 0.00 54.79 54.90 3krm n ASP 533 Cb 0.93 -4.88 -0.12 0.00 -0.72 0.00 0.00 41.12 36.33 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 -5.82 1.72 0.45 -0.67 -0.21 -1.26 -0.47 119.66 113.41 3krm s GLN 534 Ca 0.37 -1.20 0.06 0.00 0.02 0.00 0.00 55.36 54.61 3krm s GLN 534 Cb -0.16 -2.07 -0.03 0.00 1.00 0.00 0.00 33.01 31.75 3krm s GLN 534 CO 0.45 0.48 0.18 0.14 -2.12 0.00 0.00 175.29 174.43 3krm s VAL 535 N -1.09 1.98 0.05 1.09 -7.23 0.11 -1.41 120.40 113.90 3krm s VAL 535 Ca 0.17 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 3krm s VAL 535 Cb -0.10 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 3krm s VAL 535 CO 0.08 0.00 0.12 0.27 -0.31 0.00 0.00 175.10 175.26 3krm s ILE 536 N -2.68 4.86 -0.14 -0.62 -4.36 -1.26 0.27 121.20 117.26 3krm s ILE 536 Ca 0.34 -0.54 -0.04 0.00 -0.26 0.00 0.00 60.65 60.15 3krm s ILE 536 Cb 0.03 -3.31 -0.03 0.00 1.25 0.00 0.00 42.46 40.39 3krm s ILE 536 CO 0.19 0.20 -0.00 -0.69 0.24 0.00 0.00 174.94 174.88 3krm s VAL 537 N -1.36 4.21 -0.07 8.37 1.01 -0.03 -4.40 120.40 128.12 3krm s VAL 537 Ca 0.29 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 3krm s VAL 537 Cb -0.12 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 3krm s VAL 537 CO 0.21 0.52 0.40 -0.54 0.00 0.00 0.00 175.10 175.69 3krm s LYS 538 N -0.00 4.11 -0.10 2.72 1.02 -0.30 -2.01 119.74 125.17 3krm s LYS 538 Ca 0.03 0.34 -0.00 0.00 0.02 0.00 0.00 55.97 56.35 3krm s LYS 538 Cb -0.13 -3.33 0.02 0.00 -0.52 0.00 0.00 37.83 33.87 3krm s LYS 538 CO 0.02 0.43 -0.07 0.42 -0.92 0.00 0.00 175.35 175.23 3krm s ILE 539 N -0.21 0.97 -0.16 2.17 1.01 0.07 -1.85 121.20 123.20 3krm s ILE 539 Ca 0.23 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.62 3krm s ILE 539 Cb -0.15 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.35 3krm s ILE 539 CO 0.10 0.35 -0.19 -0.63 0.00 0.00 0.00 174.94 174.57 3krm s ILE 540 N 1.61 1.93 0.19 2.92 1.09 -0.79 -0.82 121.20 127.33 3krm s ILE 540 Ca 0.03 -0.87 -0.23 0.00 -1.10 0.00 0.00 60.65 58.48 3krm s ILE 540 Cb -0.13 -1.75 0.07 0.00 -1.06 0.00 0.00 42.46 39.60 3krm s ILE 540 CO -0.07 0.52 1.00 -0.83 -0.10 0.00 0.00 174.94 175.47 3krm s GLY 541 N 1.20 0.02 0.92 6.18 0.00 -1.16 -0.94 107.32 113.53 3krm s GLY 541 Ca 0.01 -0.22 -0.13 0.00 0.00 0.00 0.00 44.72 44.39 3krm s GLY 541 CO -0.09 1.49 1.14 -2.38 0.00 0.00 0.00 173.10 173.26 3krm s HIS 542 N -2.50 2.46 0.15 1.90 -3.43 -1.26 -1.92 115.29 110.69 3krm s HIS 542 Ca 0.18 0.83 -0.25 0.00 -0.80 0.00 0.00 55.06 55.02 3krm s HIS 542 Cb -0.02 -3.41 0.01 0.00 -1.43 0.00 0.00 32.58 27.72 3krm s HIS 542 CO 0.05 -2.39 1.61 0.35 -2.00 0.00 0.00 174.74 172.35 3krm h PHE 543 N -1.51 -0.90 -0.48 0.38 3.57 -1.98 -1.82 116.94 114.21 3krm h PHE 543 Ca -0.50 0.05 -0.13 0.00 3.53 0.00 0.00 57.97 60.92 3krm h PHE 543 Cb 1.33 0.43 -0.01 0.00 2.79 0.00 0.00 35.95 40.48 3krm h PHE 543 CO 0.20 -0.39 -0.20 1.88 -2.23 0.00 0.00 178.31 177.56 3krm h TYR 544 N -0.34 1.10 -0.15 0.41 0.05 -1.96 -2.29 116.97 113.78 3krm h TYR 544 Ca 0.12 -0.26 0.01 0.00 0.05 0.00 0.00 58.73 58.65 3krm h TYR 544 Cb 0.54 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 3krm h TYR 544 CO -0.46 1.07 0.08 0.00 -1.05 0.00 0.00 178.16 177.80 3krm h ALA 545 N 0.92 0.18 -0.47 3.88 0.00 -1.75 -0.86 119.26 121.17 3krm h ALA 545 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3krm h ALA 545 Cb 0.77 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3krm h ALA 545 CO 0.06 -0.35 0.03 1.03 0.00 0.00 0.00 179.25 180.02 3krm h SER 546 N 0.17 0.73 -0.33 0.00 0.87 -1.18 -1.58 113.55 112.23 3krm h SER 546 Ca 0.06 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 3krm h SER 546 Cb 0.00 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3krm h SER 546 CO -0.03 0.78 -0.04 1.56 -0.53 0.00 0.00 176.83 178.57 3krm h GLN 547 N 0.72 0.62 -0.87 2.24 1.08 -1.21 -0.62 115.11 117.07 3krm h GLN 547 Ca 0.15 -0.22 0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3krm h GLN 547 Cb 0.40 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 3krm h GLN 547 CO 0.01 0.77 0.57 1.98 -0.95 0.00 0.00 178.83 181.21 3krm h MET 548 N 0.41 1.15 -0.64 1.46 4.05 -0.96 -1.51 114.93 118.89 3krm h MET 548 Ca 0.09 -0.08 -0.09 0.00 -0.28 0.00 0.00 59.70 59.35 3krm h MET 548 Cb 0.51 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 3krm h MET 548 CO 0.02 0.77 0.06 0.00 0.23 0.00 0.00 176.91 177.99 3krm h ALA 549 N 1.31 0.90 0.66 0.39 0.00 -1.16 -2.39 119.26 118.98 3krm h ALA 549 Ca 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3krm h ALA 549 Cb -0.12 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3krm h ALA 549 CO -0.07 0.67 -0.36 1.96 0.00 0.00 0.00 179.25 181.45 3krm h GLN 550 N 1.00 -0.91 -0.90 0.00 4.20 -0.67 -1.38 115.11 116.45 3krm h GLN 550 Ca 0.19 0.06 0.21 0.00 0.06 0.00 0.00 58.65 59.17 3krm h GLN 550 Cb 0.49 0.21 -0.17 0.00 0.30 0.00 0.00 27.48 28.31 3krm h GLN 550 CO 0.02 -0.61 -0.09 0.00 -0.67 0.00 0.00 178.83 177.48 3krm h ARG 551 N -0.94 0.03 -0.42 1.46 2.47 -1.29 -0.37 114.38 115.31 3krm h ARG 551 Ca -0.09 -0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.56 3krm h ARG 551 Cb 0.74 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 3krm h ARG 551 CO 0.12 0.02 0.01 0.87 0.56 0.00 0.00 179.97 181.55 3krm h LYS 552 N 0.03 0.74 -0.14 0.04 1.79 -1.33 -0.97 116.57 116.73 3krm h LYS 552 Ca 0.48 -0.23 0.01 0.00 -2.18 0.00 0.00 60.65 58.74 3krm h LYS 552 Cb 0.86 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 3krm h LYS 552 CO -0.87 0.81 0.04 0.82 -1.08 0.00 0.00 179.45 179.17 3krm h ILE 553 N 0.58 0.96 -0.07 1.86 2.04 -0.03 -0.44 117.51 122.41 3krm h ILE 553 Ca 0.12 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.96 3krm h ILE 553 Cb 0.47 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3krm h ILE 553 CO 0.02 0.02 0.06 0.03 0.00 0.00 0.00 178.15 178.28 3krm h ARG 554 N 0.11 0.00 0.41 2.37 2.47 -0.96 0.23 114.38 119.01 3krm h ARG 554 Ca 0.06 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.76 3krm h ARG 554 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3krm h ARG 554 CO -0.07 0.00 -0.20 -0.44 0.56 0.00 0.00 179.97 179.82 3krm h ASP 555 N 0.00 -0.47 -0.87 7.04 3.32 0.28 -2.26 116.42 123.46 3krm h ASP 555 Ca 0.03 0.02 0.24 0.00 0.02 0.00 0.00 57.03 57.34 3krm h ASP 555 Cb 0.16 0.12 -0.16 0.00 0.22 0.00 0.00 39.33 39.67 3krm h ASP 555 CO -0.00 -0.24 0.02 -0.38 -1.72 0.00 0.00 179.24 176.92 3krm n ILE 556 N -4.00 -0.37 -0.11 0.35 5.41 -0.43 -1.26 119.36 118.95 3krm n ILE 556 Ca -0.07 1.92 -0.10 0.00 1.00 0.00 0.00 62.75 65.50 3krm n ILE 556 Cb 0.22 -2.81 -0.02 0.00 -0.71 0.00 0.00 39.64 36.32 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 0.52 -1.00 1.39 3.38 -0.90 -2.44 115.31 116.26 3krm h LEU 557 Ca 0.53 -0.23 0.16 0.00 0.09 0.00 0.00 57.88 58.43 3krm h LEU 557 Cb 1.10 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.61 3krm h LEU 557 CO -0.82 0.62 0.62 0.00 0.09 0.00 0.00 178.44 178.94 3krm h ALA 558 N 0.92 1.61 -0.31 1.53 0.00 -0.56 -2.59 119.26 119.86 3krm h ALA 558 Ca 0.11 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3krm h ALA 558 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3krm h ALA 558 CO 0.00 0.05 0.01 1.96 0.00 0.00 0.00 179.25 181.27 3krm h GLN 559 N 0.85 0.54 -0.51 0.00 4.20 -1.01 -2.90 115.11 116.28 3krm h GLN 559 Ca 0.55 -0.17 0.14 0.00 0.06 0.00 0.00 58.65 59.23 3krm h GLN 559 Cb 0.75 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 3krm h GLN 559 CO -0.34 0.68 0.36 0.28 -0.67 0.00 0.00 178.83 179.14 3krm h VAL 560 N 0.35 0.76 0.00 -0.54 2.07 -1.13 0.88 116.25 118.64 3krm h VAL 560 Ca 0.09 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3krm h VAL 560 Cb 0.43 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3krm h VAL 560 CO 0.01 0.01 0.00 0.29 0.02 0.00 0.00 177.57 177.90 3krm n LYS 561 N -4.40 0.02 0.00 1.57 5.02 -1.09 -5.11 118.16 114.16 3krm n LYS 561 Ca 0.09 0.38 0.13 0.00 -2.02 0.00 0.00 58.31 56.90 3krm n LYS 561 Cb 0.56 -1.50 0.77 0.00 -0.02 0.00 0.00 35.03 34.84 3krm n LYS 561 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92