#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mtr s TYR 404 N 0.00 -0.34 0.71 2.03 -0.85 -0.51 -5.02 117.35 113.37 3mtr s TYR 404 Ca 0.00 0.33 -0.15 0.00 -0.52 0.00 0.00 57.07 56.73 3mtr s TYR 404 Cb 0.00 0.28 0.03 0.00 0.38 0.00 0.00 41.96 42.65 3mtr s TYR 404 CO 0.00 -0.61 1.18 0.00 -1.52 0.00 0.00 175.55 174.60 3mtr s ALA 405 N -2.52 2.20 0.42 9.51 0.00 -1.26 -3.85 121.76 126.26 3mtr s ALA 405 Ca -0.05 0.79 -0.26 0.00 0.00 0.00 0.00 51.96 52.45 3mtr s ALA 405 Cb -0.01 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 3mtr s ALA 405 CO -0.03 -1.73 1.37 -2.14 0.00 0.00 0.00 175.76 173.23 3mtr s PRO 406 N -3.96 3.84 -0.06 0.00 0.02 -1.26 -4.82 135.00 128.76 3mtr s PRO 406 Ca 0.72 2.30 0.03 0.00 0.02 0.00 0.00 61.00 64.08 3mtr s PRO 406 Cb -0.27 -2.72 -0.02 0.00 0.02 0.00 0.00 34.50 31.51 3mtr s PRO 406 CO 0.44 -0.65 -0.14 0.15 -0.33 0.00 0.00 177.00 176.47 3mtr s LYS 407 N -2.33 2.64 0.12 5.54 -0.14 -0.01 -4.57 119.74 121.00 3mtr s LYS 407 Ca 0.59 -0.70 0.10 0.00 -1.36 0.00 0.00 55.97 54.60 3mtr s LYS 407 Cb -0.41 -2.41 -0.04 0.00 -1.68 0.00 0.00 37.83 33.29 3mtr s LYS 407 CO 0.53 0.55 -0.26 -0.51 -0.76 0.00 0.00 175.35 174.91 3mtr s LEU 408 N -0.55 2.31 0.01 3.17 1.43 -1.26 -1.13 118.68 122.66 3mtr s LEU 408 Ca 0.08 -0.73 -0.08 0.00 -1.03 0.00 0.00 54.13 52.37 3mtr s LEU 408 Cb -0.12 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.96 3mtr s LEU 408 CO 0.01 0.16 0.15 -1.10 0.23 0.00 0.00 176.35 175.81 3mtr s GLN 409 N -1.98 0.55 0.00 1.70 -0.21 -0.40 -4.98 119.66 114.33 3mtr s GLN 409 Ca 0.12 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 55.03 3mtr s GLN 409 Cb -0.10 0.23 0.00 0.00 1.00 0.00 0.00 33.01 34.14 3mtr s GLN 409 CO 0.05 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 3mtr n GLY 410 N 1.21 2.36 3.77 3.09 0.00 -1.26 -0.88 105.19 113.47 3mtr n GLY 410 Ca -0.22 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 3mtr n GLY 410 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mtr s PRO 411 N -2.00 4.27 0.07 1.61 0.04 -1.26 -4.92 135.00 132.81 3mtr s PRO 411 Ca 0.00 1.90 -0.16 0.00 0.04 0.00 0.00 61.00 62.78 3mtr s PRO 411 Cb 0.00 -2.88 -0.13 0.00 0.04 0.00 0.00 34.50 31.53 3mtr s PRO 411 CO 0.00 -0.15 1.34 0.28 0.04 0.00 0.00 177.00 178.51 3mtr h VAL 412 N 2.66 1.33 -3.43 -0.36 2.07 -1.95 -3.44 116.25 113.14 3mtr h VAL 412 Ca -0.48 -1.59 -0.66 0.00 0.82 0.00 0.00 66.70 64.79 3mtr h VAL 412 Cb 1.23 1.84 -0.20 0.00 -1.52 0.00 0.00 31.29 32.64 3mtr h VAL 412 CO 0.64 0.49 -0.67 0.00 0.02 0.00 0.00 177.57 178.05 3mtr s ALA 413 N -4.09 3.02 -0.02 1.67 0.00 -1.26 -0.47 121.76 120.61 3mtr s ALA 413 Ca -0.13 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.03 3mtr s ALA 413 Cb 0.07 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 3mtr s ALA 413 CO 0.82 0.40 -0.12 0.08 0.00 0.00 0.00 175.76 176.94 3mtr s VAL 414 N -0.23 1.00 -0.02 0.00 1.01 -0.63 -4.97 120.40 116.56 3mtr s VAL 414 Ca 0.04 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3mtr s VAL 414 Cb -0.13 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 3mtr s VAL 414 CO 0.02 0.29 -0.23 -0.31 0.00 0.00 0.00 175.10 174.88 3mtr s TYR 415 N -0.08 2.42 0.23 5.22 2.02 -1.26 0.15 117.35 126.05 3mtr s TYR 415 Ca 0.01 -0.37 -0.21 0.00 -0.37 0.00 0.00 57.07 56.13 3mtr s TYR 415 Cb -0.07 -1.53 0.07 0.00 -0.40 0.00 0.00 41.96 40.03 3mtr s TYR 415 CO 0.00 0.03 0.94 -0.08 -1.57 0.00 0.00 175.55 174.87 3mtr s THR 416 N -0.65 0.00 0.26 -0.71 -1.32 -0.92 -4.92 115.64 107.37 3mtr s THR 416 Ca 0.11 -0.73 0.08 0.00 -1.21 0.00 0.00 61.69 59.94 3mtr s THR 416 Cb -0.10 -2.62 -0.05 0.00 -1.51 0.00 0.00 72.50 68.21 3mtr s THR 416 CO -0.00 0.00 -0.11 -1.66 -2.21 0.00 0.00 174.62 170.63 3mtr s TRP 417 N -2.57 1.94 0.18 9.09 -2.14 -1.26 -0.60 118.94 123.58 3mtr s TRP 417 Ca 0.17 -0.59 -0.33 0.00 2.66 0.00 0.00 56.10 58.02 3mtr s TRP 417 Cb -0.03 -1.00 -0.15 0.00 -3.10 0.00 0.00 33.47 29.20 3mtr s TRP 417 CO 0.06 0.39 1.36 0.39 -2.66 0.00 0.00 176.95 176.49 3mtr n GLU 418 N -0.53 1.65 -0.69 3.25 1.02 -1.26 -1.51 120.64 122.57 3mtr n GLU 418 Ca -0.06 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 3mtr n GLU 418 Cb 0.62 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 3mtr n GLU 418 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mtr n GLY 419 N 2.42 1.11 3.37 0.62 0.00 0.10 -4.98 105.19 107.84 3mtr n GLY 419 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3mtr n GLY 419 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mtr s ASN 420 N -3.08 4.86 0.30 1.61 3.84 -0.57 -4.95 114.94 116.95 3mtr s ASN 420 Ca 0.00 -0.41 -0.29 0.00 0.21 0.00 0.00 52.86 52.37 3mtr s ASN 420 Cb 0.00 -1.85 -0.10 0.00 -0.55 0.00 0.00 41.25 38.75 3mtr s ASN 420 CO 0.00 -0.07 1.42 -1.58 -2.79 0.00 0.00 177.10 174.07 3mtr s GLN 421 N 1.54 4.26 0.04 0.43 0.74 -1.26 -4.47 119.66 120.93 3mtr s GLN 421 Ca 0.05 2.34 -0.00 0.00 0.05 0.00 0.00 55.36 57.80 3mtr s GLN 421 Cb -0.15 -3.06 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 3mtr s GLN 421 CO 0.01 -0.38 -0.04 0.54 -0.55 0.00 0.00 175.29 174.87 3mtr s VAL 422 N -0.57 0.23 -0.15 1.34 0.11 -0.58 -4.97 120.40 115.80 3mtr s VAL 422 Ca 0.55 -1.32 -0.07 0.00 -2.93 0.00 0.00 61.98 58.21 3mtr s VAL 422 Cb -0.42 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 3mtr s VAL 422 CO 0.50 -0.70 0.09 0.20 -3.33 0.00 0.00 175.10 171.86 3mtr s ASN 423 N -2.11 5.89 -0.20 3.54 0.01 -1.26 -1.22 114.94 119.59 3mtr s ASN 423 Ca -0.05 0.23 -0.12 0.00 -0.71 0.00 0.00 52.86 52.21 3mtr s ASN 423 Cb -0.02 -1.93 -0.05 0.00 0.41 0.00 0.00 41.25 39.66 3mtr s ASN 423 CO -0.04 0.28 0.24 -0.63 -1.51 0.00 0.00 177.10 175.43 3mtr s ILE 424 N -0.27 5.33 -0.19 0.60 1.01 0.84 -4.89 121.20 123.63 3mtr s ILE 424 Ca 0.09 0.39 -0.09 0.00 0.00 0.00 0.00 60.65 61.04 3mtr s ILE 424 Cb -0.12 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 3mtr s ILE 424 CO 0.01 0.36 0.11 -0.89 0.00 0.00 0.00 174.94 174.53 3mtr s THR 425 N 0.76 5.21 -0.29 2.92 2.01 -1.26 -1.36 115.64 123.63 3mtr s THR 425 Ca 0.12 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.25 3mtr s THR 425 Cb -0.13 -3.37 0.09 0.00 0.01 0.00 0.00 72.50 69.10 3mtr s THR 425 CO 0.03 0.45 0.04 0.00 -0.69 0.00 0.00 174.62 174.45 3mtr s GLU 427 N 1.35 4.34 -0.01 0.00 2.02 -0.06 -1.18 118.70 125.16 3mtr s GLU 427 Ca 0.05 0.90 0.03 0.00 0.02 0.00 0.00 54.97 55.97 3mtr s GLU 427 Cb -0.18 -3.25 -0.01 0.00 0.10 0.00 0.00 34.13 30.79 3mtr s GLU 427 CO -0.14 0.61 -0.11 0.54 0.02 0.00 0.00 175.26 176.19 3mtr s VAL 428 N -1.12 0.84 -0.17 2.63 0.11 -0.84 -1.27 120.40 120.58 3mtr s VAL 428 Ca 0.31 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 3mtr s VAL 428 Cb -0.21 -0.71 0.03 0.00 -1.53 0.00 0.00 36.38 33.96 3mtr s VAL 428 CO 0.22 0.24 -0.10 -0.36 -3.33 0.00 0.00 175.10 171.77 3mtr s PHE 429 N -0.18 2.10 -0.20 1.54 0.08 -0.29 -4.76 117.98 116.27 3mtr s PHE 429 Ca 0.03 -1.28 -0.27 0.00 0.12 0.00 0.00 56.93 55.53 3mtr s PHE 429 Cb -0.05 -1.52 0.07 0.00 -0.57 0.00 0.00 43.02 40.95 3mtr s PHE 429 CO -0.00 -0.67 0.72 0.00 -0.10 0.00 0.00 175.22 175.16 3mtr s ALA 430 N 1.51 -1.78 -0.06 5.36 0.00 -1.26 -0.83 121.76 124.69 3mtr s ALA 430 Ca 0.02 1.80 -0.03 0.00 0.00 0.00 0.00 51.96 53.75 3mtr s ALA 430 Cb -0.14 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.21 3mtr s ALA 430 CO -0.09 -0.35 0.12 -0.47 0.00 0.00 0.00 175.76 174.98 3mtr s TYR 431 N -0.13 -0.11 1.03 0.00 5.04 -1.25 -3.91 117.35 118.02 3mtr s TYR 431 Ca -0.03 0.46 -0.11 0.00 -2.44 0.00 0.00 57.07 54.95 3mtr s TYR 431 Cb -0.03 -0.27 0.21 0.00 0.35 0.00 0.00 41.96 42.22 3mtr s TYR 431 CO 0.04 -0.21 1.08 -2.30 -1.34 0.00 0.00 175.55 172.81 3mtr n PRO 432 N 4.97 -1.29 -1.59 4.97 -0.02 -1.26 -1.42 135.00 139.35 3mtr n PRO 432 Ca -0.11 -0.32 -0.46 0.00 -2.02 0.00 0.00 63.50 60.58 3mtr n PRO 432 Cb 0.50 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 3mtr n PRO 432 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mtr n SER 433 N -4.50 1.35 -4.99 2.55 2.88 -1.25 -4.79 113.62 104.86 3mtr n SER 433 Ca 0.08 1.17 -0.19 0.00 -1.33 0.00 0.00 58.87 58.60 3mtr n SER 433 Cb 0.53 -1.27 -0.00 0.00 -0.75 0.00 0.00 64.21 62.72 3mtr n SER 433 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mtr s ALA 434 N -0.74 4.21 -0.16 -1.46 0.00 -1.26 -4.75 121.76 117.60 3mtr s ALA 434 Ca 0.64 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 3mtr s ALA 434 Cb -0.75 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 3mtr s ALA 434 CO 0.57 -0.11 -0.04 0.99 0.00 0.00 0.00 175.76 177.16 3mtr s THR 435 N -2.25 3.76 -0.11 0.00 2.01 -0.37 -4.90 115.64 113.78 3mtr s THR 435 Ca 0.47 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 3mtr s THR 435 Cb -0.10 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 3mtr s THR 435 CO 0.32 0.48 0.38 -0.63 -0.69 0.00 0.00 174.62 174.49 3mtr s ILE 436 N 0.52 5.20 0.07 1.82 1.01 -1.26 -1.48 121.20 127.08 3mtr s ILE 436 Ca -0.04 0.76 0.09 0.00 0.00 0.00 0.00 60.65 61.46 3mtr s ILE 436 Cb -0.14 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 3mtr s ILE 436 CO 0.03 0.41 -0.22 -0.44 0.00 0.00 0.00 174.94 174.72 3mtr s SER 437 N 0.14 3.56 0.08 3.58 0.01 0.21 -4.97 113.70 116.32 3mtr s SER 437 Ca 0.22 -0.54 0.08 0.00 1.31 0.00 0.00 55.95 57.02 3mtr s SER 437 Cb -0.15 -0.45 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 3mtr s SER 437 CO 0.08 0.23 -0.18 0.26 0.41 0.00 0.00 173.24 174.05 3mtr s TRP 438 N -0.94 2.54 0.03 2.43 0.52 -1.26 -0.25 118.94 122.02 3mtr s TRP 438 Ca 0.14 -0.26 0.03 0.00 0.02 0.00 0.00 56.10 56.03 3mtr s TRP 438 Cb -0.10 -1.40 -0.02 0.00 -1.15 0.00 0.00 33.47 30.80 3mtr s TRP 438 CO 0.05 0.32 -0.09 -0.06 0.02 0.00 0.00 176.95 177.19 3mtr s PHE 439 N -1.04 0.77 -0.03 -1.98 0.08 -0.15 -1.30 117.98 114.33 3mtr s PHE 439 Ca 0.16 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.82 3mtr s PHE 439 Cb -0.11 -0.46 0.03 0.00 -0.57 0.00 0.00 43.02 41.92 3mtr s PHE 439 CO 0.08 -0.03 0.06 0.50 -0.10 0.00 0.00 175.22 175.72 3mtr s ARG 440 N -1.20 -0.02 -1.07 0.44 6.06 -0.77 -1.91 118.95 120.48 3mtr s ARG 440 Ca -0.05 0.25 -0.14 0.00 -2.50 0.00 0.00 55.73 53.30 3mtr s ARG 440 Cb -0.08 -0.26 0.02 0.00 0.06 0.00 0.00 34.95 34.69 3mtr s ARG 440 CO 0.01 -0.19 0.26 -0.25 -2.50 0.00 0.00 175.30 172.63 3mtr n ASP 441 N 4.33 -1.23 0.00 -2.12 8.00 -1.26 -0.09 116.55 124.18 3mtr n ASP 441 Ca -0.25 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.25 3mtr n ASP 441 Cb 0.50 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 3mtr n ASP 441 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mtr n GLY 442 N -2.04 1.11 3.67 0.44 0.00 -1.26 -4.98 105.19 102.13 3mtr n GLY 442 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 3mtr n GLY 442 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mtr s GLN 443 N -0.23 4.20 0.08 1.61 2.00 0.87 -5.04 119.66 123.15 3mtr s GLN 443 Ca 0.00 0.40 -0.31 0.00 -2.00 0.00 0.00 55.36 53.45 3mtr s GLN 443 Cb 0.00 -3.55 -0.07 0.00 0.80 0.00 0.00 33.01 30.19 3mtr s GLN 443 CO 0.00 -0.11 1.41 -1.17 -0.50 0.00 0.00 175.29 174.92 3mtr s LEU 444 N 1.51 4.35 0.13 3.68 2.96 -1.26 -1.84 118.68 128.21 3mtr s LEU 444 Ca 0.24 2.27 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 3mtr s LEU 444 Cb -0.15 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3mtr s LEU 444 CO 0.10 -0.69 0.29 -0.76 -1.32 0.00 0.00 176.35 173.97 3mtr s LEU 445 N 1.61 4.32 0.57 -0.68 1.43 -0.42 -4.34 118.68 121.16 3mtr s LEU 445 Ca 0.65 0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 53.86 3mtr s LEU 445 Cb -0.35 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 3mtr s LEU 445 CO 0.29 0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.87 3mtr s PRO 446 N -2.95 3.31 -0.00 1.29 0.04 -1.26 -4.49 135.00 130.93 3mtr s PRO 446 Ca 0.36 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 3mtr s PRO 446 Cb -0.12 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 3mtr s PRO 446 CO 0.28 -0.85 0.03 0.45 0.04 0.00 0.00 177.00 176.95 3mtr s SER 447 N -2.26 0.04 0.64 6.66 0.15 -1.26 -4.99 113.70 112.69 3mtr s SER 447 Ca 0.68 -0.10 0.38 0.00 0.70 0.00 0.00 55.95 57.61 3mtr s SER 447 Cb -0.20 0.09 2.09 0.00 -1.71 0.00 0.00 66.02 66.30 3mtr s SER 447 CO 0.31 -0.11 2.24 0.77 1.20 0.00 0.00 173.24 177.65 3mtr h SER 448 N 5.59 0.00 0.88 5.45 4.64 -2.01 0.18 113.55 128.29 3mtr h SER 448 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3mtr h SER 448 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3mtr h SER 448 CO 0.46 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 177.20 3mtr h ASN 449 N 0.00 0.00 -2.08 4.97 2.35 -1.98 -3.36 115.58 115.48 3mtr h ASN 449 Ca 0.01 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.21 3mtr h ASN 449 Cb 0.19 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.15 3mtr h ASN 449 CO -0.00 0.00 -0.95 -1.22 -1.65 0.00 0.00 177.43 173.61 3mtr n TYR 450 N -2.73 1.21 0.22 1.19 4.02 0.05 -4.92 117.16 116.21 3mtr n TYR 450 Ca 0.01 -3.81 0.06 0.00 -0.01 0.00 0.00 57.90 54.15 3mtr n TYR 450 Cb 0.27 -0.43 0.27 0.00 -0.02 0.00 0.00 39.34 39.43 3mtr n TYR 450 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3mtr n SER 451 N 0.87 0.21 -0.91 7.72 3.41 -1.25 -2.31 113.62 121.36 3mtr n SER 451 Ca 0.25 0.58 0.07 0.00 -0.26 0.00 0.00 58.87 59.50 3mtr n SER 451 Cb 0.51 -0.61 0.21 0.00 -0.26 0.00 0.00 64.21 64.06 3mtr n SER 451 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3mtr n ASN 452 N -1.75 2.62 -3.97 4.04 6.94 -1.26 -4.82 115.26 117.05 3mtr n ASN 452 Ca 0.01 -2.08 -0.23 0.00 -0.02 0.00 0.00 54.58 52.26 3mtr n ASN 452 Cb 0.09 -0.35 -0.17 0.00 -2.36 0.00 0.00 39.78 36.99 3mtr n ASN 452 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3mtr s ILE 453 N -1.49 0.95 0.06 1.53 1.01 -0.98 -1.21 121.20 121.06 3mtr s ILE 453 Ca 0.31 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 60.67 3mtr s ILE 453 Cb 0.17 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 3mtr s ILE 453 CO 0.19 0.32 -0.18 -0.54 0.00 0.00 0.00 174.94 174.73 3mtr s LYS 454 N 0.83 1.15 -0.17 2.79 1.02 -0.39 -4.90 119.74 120.07 3mtr s LYS 454 Ca -0.12 -0.93 -0.06 0.00 0.02 0.00 0.00 55.97 54.89 3mtr s LYS 454 Cb -0.15 -1.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.87 3mtr s LYS 454 CO 0.02 0.31 0.02 0.42 -0.92 0.00 0.00 175.35 175.20 3mtr s ILE 455 N -0.92 4.43 -0.29 2.17 1.01 -1.26 -0.36 121.20 125.98 3mtr s ILE 455 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 3mtr s ILE 455 Cb -0.09 -2.97 0.05 0.00 0.01 0.00 0.00 42.46 39.46 3mtr s ILE 455 CO 0.02 0.48 -0.02 -0.31 0.00 0.00 0.00 174.94 175.11 3mtr s TYR 456 N 0.28 3.27 -0.05 3.97 1.51 0.59 -4.99 117.35 121.94 3mtr s TYR 456 Ca 0.01 -1.96 -0.12 0.00 -1.01 0.00 0.00 57.07 53.99 3mtr s TYR 456 Cb -0.13 -2.08 -0.05 0.00 -0.11 0.00 0.00 41.96 39.59 3mtr s TYR 456 CO 0.01 -0.82 0.31 -0.80 -1.11 0.00 0.00 175.55 173.14 3mtr s ASN 457 N 1.23 6.65 0.24 2.29 0.02 -1.26 -0.08 114.94 124.02 3mtr s ASN 457 Ca -0.06 0.78 0.05 0.00 -1.02 0.00 0.00 52.86 52.61 3mtr s ASN 457 Cb -0.20 -2.18 -0.05 0.00 0.02 0.00 0.00 41.25 38.84 3mtr s ASN 457 CO -0.02 0.36 -0.04 0.42 0.02 0.00 0.00 177.10 177.84 3mtr s THR 458 N -1.06 1.33 0.54 1.60 -4.23 -0.07 -5.00 115.64 108.75 3mtr s THR 458 Ca 0.20 -2.08 0.22 0.00 -1.18 0.00 0.00 61.69 58.85 3mtr s THR 458 Cb -0.15 -2.33 0.33 0.00 1.34 0.00 0.00 72.50 71.69 3mtr s THR 458 CO 0.10 -0.36 2.10 -0.65 -0.54 0.00 0.00 174.62 175.26 3mtr h PRO 459 N 2.42 0.00 -0.00 3.99 0.11 -2.02 -3.05 132.00 133.45 3mtr h PRO 459 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3mtr h PRO 459 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3mtr h PRO 459 CO 0.65 0.00 -0.59 -1.13 -0.21 0.00 0.00 178.00 176.72 3mtr n SER 460 N -4.31 0.90 -3.58 -2.05 3.41 -1.26 -4.96 113.62 101.77 3mtr n SER 460 Ca 0.02 -0.95 -0.15 0.00 -0.26 0.00 0.00 58.87 57.53 3mtr n SER 460 Cb 0.30 0.87 -0.06 0.00 -0.26 0.00 0.00 64.21 65.05 3mtr n SER 460 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mtr s ALA 461 N -2.23 -1.82 -0.04 7.33 0.00 -1.15 -1.99 121.76 121.85 3mtr s ALA 461 Ca 0.07 1.67 -0.00 0.00 0.00 0.00 0.00 51.96 53.70 3mtr s ALA 461 Cb 0.11 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 3mtr s ALA 461 CO 0.54 -0.33 0.00 0.45 0.00 0.00 0.00 175.76 176.42 3mtr s SER 462 N -0.47 5.20 -0.10 0.00 0.15 -0.33 -0.89 113.70 117.26 3mtr s SER 462 Ca -0.04 0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.72 3mtr s SER 462 Cb -0.02 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 3mtr s SER 462 CO 0.04 0.33 -0.23 -0.31 1.20 0.00 0.00 173.24 174.27 3mtr s TYR 463 N -0.99 2.44 -0.34 3.44 2.02 0.88 -1.23 117.35 123.58 3mtr s TYR 463 Ca 0.17 -0.99 -0.12 0.00 -0.37 0.00 0.00 57.07 55.75 3mtr s TYR 463 Cb -0.11 -1.64 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 3mtr s TYR 463 CO 0.06 -0.40 0.23 -1.17 -1.57 0.00 0.00 175.55 172.70 3mtr s LEU 464 N 0.37 4.48 -0.46 -1.29 2.96 -0.46 -0.30 118.68 123.98 3mtr s LEU 464 Ca -0.18 -0.49 -0.21 0.00 -0.22 0.00 0.00 54.13 53.03 3mtr s LEU 464 Cb -0.18 -2.11 0.03 0.00 0.50 0.00 0.00 46.19 44.43 3mtr s LEU 464 CO 0.08 -0.24 0.69 -1.61 -1.32 0.00 0.00 176.35 173.94 3mtr s GLU 465 N 1.69 3.27 -0.11 1.98 2.02 0.51 -0.11 118.70 127.96 3mtr s GLU 465 Ca 0.06 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.63 3mtr s GLU 465 Cb -0.17 -3.98 -0.02 0.00 0.10 0.00 0.00 34.13 30.05 3mtr s GLU 465 CO 0.10 -1.10 -0.12 0.08 0.02 0.00 0.00 175.26 174.23 3mtr s VAL 466 N 2.95 3.13 -0.40 2.63 1.01 -0.36 -1.27 120.40 128.10 3mtr s VAL 466 Ca 0.23 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3mtr s VAL 466 Cb -0.15 -2.30 0.11 0.00 0.00 0.00 0.00 36.38 34.04 3mtr s VAL 466 CO 0.18 0.54 0.15 -0.89 0.00 0.00 0.00 175.10 175.09 3mtr s THR 467 N 0.09 2.76 0.16 3.92 2.01 -0.35 -1.53 115.64 122.71 3mtr s THR 467 Ca -0.05 -2.40 -0.32 0.00 0.31 0.00 0.00 61.69 59.23 3mtr s THR 467 Cb -0.15 -2.95 -0.10 0.00 0.01 0.00 0.00 72.50 69.31 3mtr s THR 467 CO 0.04 -0.67 1.62 -2.84 -0.69 0.00 0.00 174.62 172.08 3mtr s PRO 468 N 0.78 4.19 0.00 4.92 0.02 -1.26 -4.79 135.00 138.86 3mtr s PRO 468 Ca 0.11 2.42 0.13 0.00 0.02 0.00 0.00 61.00 63.68 3mtr s PRO 468 Cb -0.21 -3.21 0.12 0.00 0.02 0.00 0.00 34.50 31.22 3mtr s PRO 468 CO -0.05 -0.66 0.94 -0.25 -0.33 0.00 0.00 177.00 176.64 3mtr n ASP 469 N 4.24 2.15 -3.60 2.53 10.43 -1.26 0.02 116.55 131.06 3mtr n ASP 469 Ca 0.15 -1.57 -0.04 0.00 2.57 0.00 0.00 54.79 55.89 3mtr n ASP 469 Cb 0.38 -0.02 -0.02 0.00 1.84 0.00 0.00 41.12 43.30 3mtr n ASP 469 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3mtr s SER 470 N -1.06 -0.19 0.34 -2.24 0.15 -1.26 -4.96 113.70 104.48 3mtr s SER 470 Ca 0.16 -0.10 0.09 0.00 0.70 0.00 0.00 55.95 56.80 3mtr s SER 470 Cb 0.11 0.28 0.81 0.00 -1.71 0.00 0.00 66.02 65.50 3mtr s SER 470 CO 0.16 -0.47 1.82 1.05 1.20 0.00 0.00 173.24 177.00 3mtr h GLU 471 N 2.00 0.68 0.00 5.44 -0.00 -1.98 -1.55 114.58 119.17 3mtr h GLU 471 Ca -0.20 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.12 3mtr h GLU 471 Cb 1.21 -0.15 0.00 0.00 -0.00 0.00 0.00 28.75 29.80 3mtr h GLU 471 CO 0.27 0.45 0.00 0.27 -0.00 0.00 0.00 179.01 180.00 3mtr n ASN 472 N -4.65 0.32 -0.19 3.06 0.23 -1.26 -2.09 115.26 110.67 3mtr n ASN 472 Ca 0.21 0.65 0.13 0.00 -0.53 0.00 0.00 54.58 55.03 3mtr n ASN 472 Cb 0.56 -0.69 0.32 0.00 -2.08 0.00 0.00 39.78 37.89 3mtr n ASN 472 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3mtr n ASP 473 N -1.92 0.94 -4.93 0.53 8.00 -0.58 -4.90 116.55 113.69 3mtr n ASP 473 Ca -0.01 -0.77 -0.25 0.00 0.71 0.00 0.00 54.79 54.47 3mtr n ASP 473 Cb 0.02 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 3mtr n ASP 473 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3mtr s PHE 474 N -2.63 3.42 0.00 1.24 0.08 -0.89 -4.94 117.98 114.25 3mtr s PHE 474 Ca 0.20 0.54 0.00 0.00 0.12 0.00 0.00 56.93 57.79 3mtr s PHE 474 Cb 0.19 -2.27 0.00 0.00 -0.57 0.00 0.00 43.02 40.37 3mtr s PHE 474 CO 0.57 -0.28 0.00 0.41 -0.10 0.00 0.00 175.22 175.82 3mtr n GLY 475 N -2.15 0.24 3.75 4.36 0.00 -0.28 -4.96 105.19 106.15 3mtr n GLY 475 Ca 0.00 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 3mtr n GLY 475 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mtr s ASN 476 N -4.00 7.39 0.03 1.61 0.01 -1.26 -0.35 114.94 118.38 3mtr s ASN 476 Ca 0.00 1.65 0.05 0.00 -0.71 0.00 0.00 52.86 53.86 3mtr s ASN 476 Cb 0.00 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 3mtr s ASN 476 CO 0.00 0.07 -0.15 -0.31 -1.51 0.00 0.00 177.10 175.19 3mtr s TYR 477 N -0.48 1.33 -0.08 2.20 2.02 -0.78 -4.44 117.35 117.12 3mtr s TYR 477 Ca 0.40 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.81 3mtr s TYR 477 Cb -0.23 -0.80 -0.00 0.00 -0.40 0.00 0.00 41.96 40.54 3mtr s TYR 477 CO 0.27 0.04 -0.23 1.21 -1.57 0.00 0.00 175.55 175.27 3mtr s ASN 478 N -1.04 2.89 -0.16 2.29 2.47 -0.81 0.22 114.94 120.81 3mtr s ASN 478 Ca 0.03 -0.51 -0.06 0.00 0.42 0.00 0.00 52.86 52.74 3mtr s ASN 478 Cb -0.08 -1.13 -0.04 0.00 -1.45 0.00 0.00 41.25 38.55 3mtr s ASN 478 CO 0.01 0.17 0.05 0.00 -3.72 0.00 0.00 177.10 173.62 3mtr s THR 480 N 0.11 1.73 -0.01 0.00 -4.23 0.66 -0.48 115.64 113.43 3mtr s THR 480 Ca 0.05 -1.69 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 3mtr s THR 480 Cb -0.12 -1.66 -0.00 0.00 1.34 0.00 0.00 72.50 72.05 3mtr s THR 480 CO 0.01 -0.18 -0.04 0.00 -0.54 0.00 0.00 174.62 173.87 3mtr s ALA 481 N -1.55 0.39 -0.02 3.99 0.00 -0.30 -0.62 121.76 123.66 3mtr s ALA 481 Ca 0.10 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.91 3mtr s ALA 481 Cb -0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 3mtr s ALA 481 CO 0.05 0.08 -0.10 0.08 0.00 0.00 0.00 175.76 175.87 3mtr s VAL 482 N -0.02 0.85 0.01 0.00 1.01 -0.55 -1.55 120.40 120.16 3mtr s VAL 482 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3mtr s VAL 482 Cb -0.03 -0.74 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 3mtr s VAL 482 CO -0.00 0.25 0.01 -0.46 0.00 0.00 0.00 175.10 174.90 3mtr n ASN 483 N 3.07 0.30 0.06 3.32 6.94 -0.53 -1.24 115.26 127.18 3mtr n ASN 483 Ca -0.16 -1.09 0.20 0.00 -0.02 0.00 0.00 54.58 53.51 3mtr n ASN 483 Cb 0.55 0.06 0.74 0.00 -2.36 0.00 0.00 39.78 38.76 3mtr n ASN 483 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 3mtr h ARG 484 N 0.00 0.00 0.02 -3.83 2.43 -1.87 -3.02 114.38 108.12 3mtr h ARG 484 Ca -0.01 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.81 3mtr h ARG 484 Cb 0.05 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 3mtr h ARG 484 CO 0.02 0.00 -2.15 -0.89 -1.51 0.00 0.00 179.97 175.44 3mtr n ILE 485 N -4.03 1.54 -2.97 1.20 2.08 -1.26 -5.08 119.36 110.84 3mtr n ILE 485 Ca 0.08 -0.75 0.00 0.00 0.56 0.00 0.00 62.75 62.64 3mtr n ILE 485 Cb 0.59 -1.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.45 3mtr n ILE 485 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3mtr n GLY 486 N 1.83 -0.56 3.09 7.39 0.00 -1.14 -4.80 105.19 111.00 3mtr n GLY 486 Ca -0.31 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 3mtr n GLY 486 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mtr s GLN 487 N -0.08 0.40 0.04 1.61 -0.21 -1.26 -1.45 119.66 118.72 3mtr s GLN 487 Ca 0.00 -0.24 -0.02 0.00 0.02 0.00 0.00 55.36 55.12 3mtr s GLN 487 Cb 0.00 0.17 -0.03 0.00 1.00 0.00 0.00 33.01 34.15 3mtr s GLN 487 CO 0.00 -0.09 0.01 -2.00 -2.12 0.00 0.00 175.29 171.09 3mtr s GLU 488 N -1.01 0.55 0.02 2.91 2.56 -0.60 -4.85 118.70 118.28 3mtr s GLU 488 Ca -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 54.97 53.90 3mtr s GLU 488 Cb -0.06 0.20 -0.02 0.00 2.00 0.00 0.00 34.13 36.25 3mtr s GLU 488 CO 0.01 -0.11 -0.03 -1.12 -0.56 0.00 0.00 175.26 173.45 3mtr s SER 489 N -2.40 0.28 -0.03 -1.70 0.01 -1.26 -1.15 113.70 107.45 3mtr s SER 489 Ca -0.01 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.86 3mtr s SER 489 Cb 0.02 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.33 3mtr s SER 489 CO -0.07 -0.22 -0.03 -0.22 0.41 0.00 0.00 173.24 173.11 3mtr s LEU 490 N -1.15 1.39 -0.04 2.44 2.96 0.37 -4.99 118.68 119.65 3mtr s LEU 490 Ca -0.12 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.63 3mtr s LEU 490 Cb -0.08 -0.34 -0.05 0.00 0.50 0.00 0.00 46.19 46.23 3mtr s LEU 490 CO -0.01 -0.05 0.24 -0.70 -1.32 0.00 0.00 176.35 174.51 3mtr s GLU 491 N 0.77 3.58 0.18 1.98 2.12 -1.26 -0.50 118.70 125.56 3mtr s GLU 491 Ca -0.09 -0.02 0.11 0.00 0.36 0.00 0.00 54.97 55.33 3mtr s GLU 491 Cb -0.12 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 3mtr s GLU 491 CO -0.00 0.71 -0.24 -0.06 -0.54 0.00 0.00 175.26 175.13 3mtr s PHE 492 N -1.15 2.21 -0.20 5.30 0.08 0.13 -4.85 117.98 119.50 3mtr s PHE 492 Ca 0.22 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 3mtr s PHE 492 Cb -0.13 -1.12 0.01 0.00 -0.57 0.00 0.00 43.02 41.21 3mtr s PHE 492 CO 0.11 0.44 -0.12 0.42 -0.10 0.00 0.00 175.22 175.97 3mtr s ILE 493 N -1.61 2.72 -0.43 0.64 1.01 0.38 -1.87 121.20 122.05 3mtr s ILE 493 Ca 0.18 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 59.89 3mtr s ILE 493 Cb -0.08 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.22 3mtr s ILE 493 CO 0.09 0.48 0.75 -0.22 0.00 0.00 0.00 174.94 176.04 3mtr s LEU 494 N 1.34 4.28 -0.12 2.97 2.96 0.53 -1.60 118.68 129.04 3mtr s LEU 494 Ca 0.05 -0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 53.77 3mtr s LEU 494 Cb -0.14 -2.92 -0.05 0.00 0.50 0.00 0.00 46.19 43.59 3mtr s LEU 494 CO -0.07 -0.85 0.25 -0.69 -1.32 0.00 0.00 176.35 173.67 3mtr s VAL 495 N 3.15 5.32 -0.22 1.68 1.01 0.12 -1.12 120.40 130.33 3mtr s VAL 495 Ca 0.28 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 3mtr s VAL 495 Cb -0.13 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 3mtr s VAL 495 CO 0.21 0.51 1.20 -1.58 0.00 0.00 0.00 175.10 175.43 3mtr s GLN 496 N -0.34 4.17 0.75 2.72 0.74 -1.26 -2.17 119.66 124.26 3mtr s GLN 496 Ca 0.17 1.46 -0.15 0.00 0.05 0.00 0.00 55.36 56.88 3mtr s GLN 496 Cb -0.13 -3.75 0.04 0.00 1.10 0.00 0.00 33.01 30.26 3mtr s GLN 496 CO 0.05 -0.78 1.10 0.00 -0.55 0.00 0.00 175.29 175.11 3mtr n ALA 497 N 6.75 -0.01 -2.38 1.58 0.00 0.23 -4.89 120.51 121.78 3mtr n ALA 497 Ca 0.13 -0.23 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 3mtr n ALA 497 Cb 0.46 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.66 3mtr n ALA 497 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3mtr s ASP 498 N -1.81 4.82 0.79 0.00 -1.08 -0.49 -4.89 116.67 114.01 3mtr s ASP 498 Ca 0.74 -0.81 -0.11 0.00 -0.52 0.00 0.00 52.55 51.85 3mtr s ASP 498 Cb -0.32 -0.63 0.07 0.00 -1.46 0.00 0.00 42.92 40.57 3mtr s ASP 498 CO 0.49 -0.51 1.09 0.42 0.52 0.00 0.00 175.17 177.18 3mtr s THR 499 N -2.48 3.20 0.65 1.71 -4.23 -1.26 -4.34 115.64 108.88 3mtr s THR 499 Ca 0.43 0.39 -0.16 0.00 -1.18 0.00 0.00 61.69 61.17 3mtr s THR 499 Cb -0.01 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 3mtr s THR 499 CO 0.25 -0.51 1.14 -2.84 -0.54 0.00 0.00 174.62 172.12 3mtr s PRO 500 N -5.07 2.80 1.24 3.99 0.02 -1.22 -4.32 135.00 132.42 3mtr s PRO 500 Ca 0.61 1.53 -0.20 0.00 0.02 0.00 0.00 61.00 62.96 3mtr s PRO 500 Cb -0.15 -1.94 0.30 0.00 0.02 0.00 0.00 34.50 32.73 3mtr s PRO 500 CO 0.55 -1.28 1.08 -1.54 -0.33 0.00 0.00 177.00 175.48 3mtr s SER 501 N -2.27 0.61 0.29 2.53 1.04 -0.28 -2.29 113.70 113.33 3mtr s SER 501 Ca 0.70 0.68 -0.29 0.00 0.48 0.00 0.00 55.95 57.52 3mtr s SER 501 Cb -0.23 -0.95 -0.09 0.00 0.10 0.00 0.00 66.02 64.85 3mtr s SER 501 CO 0.39 -4.32 1.03 -0.94 0.98 0.00 0.00 173.24 170.38 3mtr s SER 502 N -3.76 7.32 0.94 7.02 1.04 -1.26 -4.39 113.70 120.62 3mtr s SER 502 Ca 0.71 2.11 -0.11 0.00 0.48 0.00 0.00 55.95 59.14 3mtr s SER 502 Cb -0.10 -2.61 0.16 0.00 0.10 0.00 0.00 66.02 63.56 3mtr s SER 502 CO 0.56 -0.09 1.09 -2.84 0.98 0.00 0.00 173.24 172.94 3mtr s PRO 503 N -1.55 0.85 -0.12 4.02 0.02 -1.26 -4.19 135.00 132.77 3mtr s PRO 503 Ca 0.46 0.98 0.01 0.00 0.02 0.00 0.00 61.00 62.46 3mtr s PRO 503 Cb -0.28 -1.75 0.02 0.00 0.02 0.00 0.00 34.50 32.51 3mtr s PRO 503 CO 0.35 -2.56 -0.14 0.45 -0.33 0.00 0.00 177.00 174.77 3mtr s SER 504 N -3.11 2.48 -0.17 2.53 0.15 -0.62 -4.42 113.70 110.52 3mtr s SER 504 Ca 0.65 -0.43 -0.27 0.00 0.70 0.00 0.00 55.95 56.60 3mtr s SER 504 Cb -0.20 -1.08 -0.01 0.00 -1.71 0.00 0.00 66.02 63.02 3mtr s SER 504 CO 0.58 -0.03 0.90 -0.63 1.20 0.00 0.00 173.24 175.26 3mtr s ILE 505 N 1.24 4.83 -0.20 6.45 1.01 -1.26 0.00 121.20 133.27 3mtr s ILE 505 Ca -0.01 1.76 -0.09 0.00 0.00 0.00 0.00 60.65 62.31 3mtr s ILE 505 Cb -0.14 -4.19 -0.20 0.00 0.01 0.00 0.00 42.46 37.94 3mtr s ILE 505 CO -0.06 -0.02 0.07 0.47 0.00 0.00 0.00 174.94 175.41 3mtr n ASP 506 N 5.41 2.00 -3.74 3.58 8.00 -0.13 -4.96 116.55 126.72 3mtr n ASP 506 Ca 0.06 0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.64 3mtr n ASP 506 Cb 0.48 -0.77 -0.08 0.00 -0.02 0.00 0.00 41.12 40.73 3mtr n ASP 506 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3mtr s GLN 507 N -2.50 0.79 -0.08 -1.24 -1.52 -1.12 -5.02 119.66 108.96 3mtr s GLN 507 Ca -0.30 -0.36 0.01 0.00 -1.95 0.00 0.00 55.36 52.77 3mtr s GLN 507 Cb 0.08 0.35 0.02 0.00 -0.22 0.00 0.00 33.01 33.24 3mtr s GLN 507 CO 0.64 -0.25 -0.11 0.08 -0.25 0.00 0.00 175.29 175.41 3mtr s VAL 508 N -2.10 1.13 -0.52 1.09 1.01 -1.26 -1.03 120.40 118.72 3mtr s VAL 508 Ca -0.08 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 3mtr s VAL 508 Cb -0.02 -1.07 0.13 0.00 0.00 0.00 0.00 36.38 35.42 3mtr s VAL 508 CO -0.00 0.37 0.41 -0.70 0.00 0.00 0.00 175.10 175.17 3mtr s GLU 509 N 1.01 2.64 0.14 2.72 2.12 -0.13 -4.97 118.70 122.23 3mtr s GLU 509 Ca -0.08 -1.86 -0.14 0.00 0.36 0.00 0.00 54.97 53.24 3mtr s GLU 509 Cb -0.15 -4.00 -0.07 0.00 0.26 0.00 0.00 34.13 30.17 3mtr s GLU 509 CO -0.01 -1.22 0.54 -1.25 -0.54 0.00 0.00 175.26 172.79 3mtr s PRO 510 N 1.21 3.99 0.00 4.30 0.05 -1.26 -1.05 135.00 142.23 3mtr s PRO 510 Ca 0.07 0.49 0.00 0.00 0.05 0.00 0.00 61.00 61.61 3mtr s PRO 510 Cb -0.25 -2.96 0.00 0.00 0.05 0.00 0.00 34.50 31.34 3mtr s PRO 510 CO -0.01 0.50 0.00 0.66 0.05 0.00 0.00 177.00 178.20 3mtr n TYR 511 N 0.89 0.00 -0.08 0.56 4.01 -0.06 -4.62 117.16 117.86 3mtr n TYR 511 Ca -0.06 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.46 3mtr n TYR 511 Cb 0.52 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.42 3mtr n TYR 511 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3mtr n SER 512 N 0.00 2.00 0.00 7.72 7.64 -1.26 -0.17 113.62 129.55 3mtr n SER 512 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 3mtr n SER 512 Cb 0.00 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 3mtr n SER 512 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3mtr n SER 513 N -3.77 1.17 -4.06 6.43 3.41 -1.26 -3.06 113.62 112.47 3mtr n SER 513 Ca -0.39 -1.30 -0.10 0.00 -0.26 0.00 0.00 58.87 56.82 3mtr n SER 513 Cb 0.92 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.79 3mtr n SER 513 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mtr s THR 514 N -0.30 0.07 -0.09 6.66 -4.23 -1.26 -0.61 115.64 115.88 3mtr s THR 514 Ca 0.00 -1.65 -0.17 0.00 -1.18 0.00 0.00 61.69 58.69 3mtr s THR 514 Cb 0.00 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.87 3mtr s THR 514 CO 0.00 -0.31 0.41 0.00 -0.54 0.00 0.00 174.62 174.18 3mtr s ALA 515 N -4.02 -1.04 -0.12 3.99 0.00 -0.59 -0.88 121.76 119.09 3mtr s ALA 515 Ca 0.22 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.88 3mtr s ALA 515 Cb 0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3mtr s ALA 515 CO 0.02 -0.25 0.42 -0.65 0.00 0.00 0.00 175.76 175.30 3mtr s GLN 516 N -0.59 4.29 -0.26 0.00 -0.21 -0.22 -1.24 119.66 121.42 3mtr s GLN 516 Ca -0.07 0.34 -0.03 0.00 0.02 0.00 0.00 55.36 55.62 3mtr s GLN 516 Cb -0.04 -3.42 0.02 0.00 1.00 0.00 0.00 33.01 30.58 3mtr s GLN 516 CO 0.03 0.22 -0.02 0.08 -2.12 0.00 0.00 175.29 173.48 3mtr s VAL 517 N 0.46 3.17 -0.10 1.09 1.01 0.79 -0.95 120.40 125.87 3mtr s VAL 517 Ca 0.23 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 3mtr s VAL 517 Cb -0.15 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 3mtr s VAL 517 CO 0.09 0.15 0.27 -1.58 0.00 0.00 0.00 175.10 174.03 3mtr s GLN 518 N 1.37 3.86 0.10 2.72 0.74 -0.19 -1.32 119.66 126.94 3mtr s GLN 518 Ca 0.01 0.11 -0.08 0.00 0.05 0.00 0.00 55.36 55.44 3mtr s GLN 518 Cb -0.17 -3.28 -0.01 0.00 1.10 0.00 0.00 33.01 30.66 3mtr s GLN 518 CO -0.02 0.58 0.19 -0.59 -0.55 0.00 0.00 175.29 174.89 3mtr s PHE 519 N -0.56 0.26 -0.14 1.67 -0.12 0.10 -0.95 117.98 118.24 3mtr s PHE 519 Ca 0.18 -0.68 -0.07 0.00 -0.05 0.00 0.00 56.93 56.31 3mtr s PHE 519 Cb -0.14 -0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.11 3mtr s PHE 519 CO 0.07 -0.57 0.13 -0.51 -0.05 0.00 0.00 175.22 174.29 3mtr s ASP 520 N -2.90 6.27 0.79 1.98 1.01 0.10 -4.67 116.67 119.26 3mtr s ASP 520 Ca 0.08 0.39 -0.13 0.00 0.71 0.00 0.00 52.55 53.60 3mtr s ASP 520 Cb 0.05 -2.04 0.08 0.00 1.01 0.00 0.00 42.92 42.01 3mtr s ASP 520 CO -0.08 0.35 1.19 -1.61 0.21 0.00 0.00 175.17 175.23 3mtr s GLU 521 N -0.67 1.75 0.22 8.23 2.02 -1.26 -1.60 118.70 127.40 3mtr s GLU 521 Ca 0.13 1.71 -0.31 0.00 0.02 0.00 0.00 54.97 56.52 3mtr s GLU 521 Cb -0.12 -1.79 -0.15 0.00 0.10 0.00 0.00 34.13 32.17 3mtr s GLU 521 CO 0.02 -2.12 1.12 -2.30 0.02 0.00 0.00 175.26 172.00 3mtr n PRO 522 N -3.23 1.29 0.24 0.39 -0.02 -1.26 -4.67 135.00 127.74 3mtr n PRO 522 Ca 0.13 0.46 0.09 0.00 -2.02 0.00 0.00 63.50 62.16 3mtr n PRO 522 Cb 0.51 -1.92 0.58 0.00 -0.02 0.00 0.00 33.50 32.65 3mtr n PRO 522 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3mtr h GLU 523 N 2.92 0.00 -4.49 -0.52 5.08 -1.87 -3.41 114.58 112.29 3mtr h GLU 523 Ca -0.42 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.38 3mtr h GLU 523 Cb 1.34 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.23 3mtr h GLU 523 CO 0.67 0.20 -0.82 0.00 -1.00 0.00 0.00 179.01 178.06 3mtr s ALA 524 N -4.15 1.56 -0.50 3.43 0.00 -1.26 -5.00 121.76 115.83 3mtr s ALA 524 Ca -0.02 -0.69 0.25 0.00 0.00 0.00 0.00 51.96 51.50 3mtr s ALA 524 Cb 0.13 -0.92 0.62 0.00 0.00 0.00 0.00 23.12 22.96 3mtr s ALA 524 CO 0.64 -0.30 1.71 1.79 0.00 0.00 0.00 175.76 179.59 3mtr h THR 525 N 6.08 0.00 0.00 0.00 1.35 -1.88 -0.72 112.91 117.75 3mtr h THR 525 Ca -0.33 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 3mtr h THR 525 Cb 1.14 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3mtr h THR 525 CO 0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 3mtr n GLY 526 N 1.03 0.76 0.00 5.82 0.00 -1.26 -3.46 105.19 108.08 3mtr n GLY 526 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3mtr n GLY 526 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mtr n GLY 527 N -2.00 1.05 3.16 -0.02 0.00 -1.26 -1.40 105.19 104.71 3mtr n GLY 527 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3mtr n GLY 527 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mtr s VAL 528 N -2.07 1.08 0.60 1.61 -7.23 -1.26 -4.73 120.40 108.39 3mtr s VAL 528 Ca 0.00 -1.22 -0.19 0.00 -1.81 0.00 0.00 61.98 58.77 3mtr s VAL 528 Cb 0.00 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 3mtr s VAL 528 CO 0.00 -0.18 1.20 -2.84 -0.31 0.00 0.00 175.10 172.98 3mtr s PRO 529 N -1.58 2.95 0.16 4.82 0.01 -1.26 -4.82 135.00 135.27 3mtr s PRO 529 Ca -0.01 1.80 -0.31 0.00 0.01 0.00 0.00 61.00 62.49 3mtr s PRO 529 Cb -0.09 -1.93 -0.09 0.00 0.01 0.00 0.00 34.50 32.40 3mtr s PRO 529 CO 0.02 -1.22 1.41 0.42 0.01 0.00 0.00 177.00 177.64 3mtr s ILE 530 N -1.64 3.09 -0.21 2.83 1.01 -1.26 -4.27 121.20 120.75 3mtr s ILE 530 Ca 0.77 0.82 -0.02 0.00 0.00 0.00 0.00 60.65 62.22 3mtr s ILE 530 Cb -0.30 -3.53 -0.12 0.00 0.01 0.00 0.00 42.46 38.52 3mtr s ILE 530 CO 0.34 0.08 -0.21 0.18 0.00 0.00 0.00 174.94 175.33 3mtr n LEU 531 N 3.49 2.57 -3.94 2.97 4.77 0.77 -4.81 117.00 122.83 3mtr n LEU 531 Ca 0.10 -0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 3mtr n LEU 531 Cb 0.41 -0.70 -0.07 0.00 -2.33 0.00 0.00 43.42 40.74 3mtr n LEU 531 CO 0.59 0.74 -0.02 -0.54 -1.33 0.00 0.00 177.39 176.83 3mtr s LYS 532 N -2.41 1.13 0.07 3.23 1.02 -1.13 -0.99 119.74 120.65 3mtr s LYS 532 Ca -0.29 -1.14 0.09 0.00 0.02 0.00 0.00 55.97 54.66 3mtr s LYS 532 Cb 0.08 0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 37.74 3mtr s LYS 532 CO 0.45 -0.41 -0.24 0.71 -0.92 0.00 0.00 175.35 174.94 3mtr s TYR 533 N -3.95 2.39 -0.17 3.18 2.02 0.15 -0.02 117.35 120.95 3mtr s TYR 533 Ca 0.15 -0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 56.49 3mtr s TYR 533 Cb 0.03 -1.38 -0.00 0.00 -0.40 0.00 0.00 41.96 40.22 3mtr s TYR 533 CO -0.01 0.22 -0.13 0.21 -1.57 0.00 0.00 175.55 174.26 3mtr s LYS 534 N -1.51 3.26 -0.01 -0.62 2.20 0.26 -0.68 119.74 122.63 3mtr s LYS 534 Ca 0.13 -0.72 -0.00 0.00 -0.36 0.00 0.00 55.97 55.02 3mtr s LYS 534 Cb -0.10 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 3mtr s LYS 534 CO 0.04 -0.03 0.05 0.00 -0.36 0.00 0.00 175.35 175.06 3mtr s ALA 535 N 0.95 3.48 0.04 3.13 0.00 -0.39 -0.81 121.76 128.16 3mtr s ALA 535 Ca -0.02 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.08 3mtr s ALA 535 Cb -0.15 -1.52 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 3mtr s ALA 535 CO -0.01 0.67 -0.09 -1.21 0.00 0.00 0.00 175.76 175.11 3mtr s GLU 536 N -1.60 0.63 0.05 0.00 2.02 -0.28 -1.36 118.70 118.15 3mtr s GLU 536 Ca 0.21 -0.68 -0.10 0.00 0.02 0.00 0.00 54.97 54.42 3mtr s GLU 536 Cb -0.12 -0.51 0.00 0.00 0.10 0.00 0.00 34.13 33.60 3mtr s GLU 536 CO 0.12 0.12 0.21 1.67 0.02 0.00 0.00 175.26 177.39 3mtr s TRP 537 N -1.03 0.05 -0.17 1.61 -2.14 -0.21 -1.10 118.94 115.95 3mtr s TRP 537 Ca -0.04 -0.30 -0.09 0.00 2.66 0.00 0.00 56.10 58.32 3mtr s TRP 537 Cb -0.08 -0.02 0.06 0.00 -3.10 0.00 0.00 33.47 30.33 3mtr s TRP 537 CO 0.01 -0.46 0.42 0.50 -2.66 0.00 0.00 176.95 174.75 3mtr s ARG 538 N -2.80 0.39 0.49 3.25 3.52 -0.56 0.16 118.95 123.41 3mtr s ARG 538 Ca -0.03 0.81 -0.23 0.00 -0.13 0.00 0.00 55.73 56.15 3mtr s ARG 538 Cb 0.00 -0.01 -0.06 0.00 -1.56 0.00 0.00 34.95 33.32 3mtr s ARG 538 CO -0.05 -0.16 1.25 0.00 -0.81 0.00 0.00 175.30 175.53 3mtr s ALA 539 N 1.46 2.92 0.45 6.12 0.00 -1.26 -1.37 121.76 130.08 3mtr s ALA 539 Ca -0.09 1.11 0.21 0.00 0.00 0.00 0.00 51.96 53.19 3mtr s ALA 539 Cb -0.08 -3.46 1.19 0.00 0.00 0.00 0.00 23.12 20.76 3mtr s ALA 539 CO -0.13 -0.96 1.86 -0.24 0.00 0.00 0.00 175.76 176.29 3mtr h VAL 540 N 1.72 0.63 -0.18 0.00 3.04 -1.03 -1.05 116.25 119.38 3mtr h VAL 540 Ca -0.50 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 3mtr h VAL 540 Cb 1.27 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 3mtr h VAL 540 CO 0.59 0.05 0.00 0.61 -1.01 0.00 0.00 177.57 177.81 3mtr n GLY 541 N -1.56 1.05 3.99 3.17 0.00 -1.26 -5.02 105.19 105.56 3mtr n GLY 541 Ca 0.20 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 3mtr n GLY 541 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mtr s GLU 542 N -1.41 2.96 -0.08 1.61 -1.05 -0.40 -5.05 118.70 115.28 3mtr s GLU 542 Ca 0.27 -1.04 0.15 0.00 -0.15 0.00 0.00 54.97 54.20 3mtr s GLU 542 Cb 0.17 -2.75 -0.23 0.00 -0.44 0.00 0.00 34.13 30.88 3mtr s GLU 542 CO 0.24 -0.15 0.50 0.39 0.95 0.00 0.00 175.26 177.19 3mtr n GLU 543 N -1.81 0.65 -3.53 -4.83 -0.58 -1.26 -4.80 120.64 104.48 3mtr n GLU 543 Ca 0.04 0.19 -0.37 0.00 -0.42 0.00 0.00 57.16 56.60 3mtr n GLU 543 Cb 0.59 -1.71 -0.07 0.00 -0.57 0.00 0.00 31.44 29.68 3mtr n GLU 543 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3mtr s VAL 544 N -2.61 5.29 -0.29 2.62 1.01 -1.26 -5.03 120.40 120.13 3mtr s VAL 544 Ca -0.06 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 3mtr s VAL 544 Cb 0.08 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.82 3mtr s VAL 544 CO 0.83 0.41 1.13 0.26 0.00 0.00 0.00 175.10 177.72 3mtr s TRP 545 N 0.32 3.07 0.49 5.22 0.52 -1.26 -4.59 118.94 122.71 3mtr s TRP 545 Ca 0.18 1.16 -0.16 0.00 0.02 0.00 0.00 56.10 57.29 3mtr s TRP 545 Cb -0.13 -3.66 -0.08 0.00 -1.15 0.00 0.00 33.47 28.44 3mtr s TRP 545 CO 0.05 -0.97 0.95 -1.01 0.02 0.00 0.00 176.95 175.99 3mtr s HIS 546 N 3.71 3.44 0.11 -1.98 3.76 0.12 -4.81 115.29 119.64 3mtr s HIS 546 Ca 0.48 1.42 -0.01 0.00 -0.15 0.00 0.00 55.06 56.80 3mtr s HIS 546 Cb -0.14 -2.75 -0.04 0.00 1.11 0.00 0.00 32.58 30.76 3mtr s HIS 546 CO 0.15 -0.31 0.03 -1.54 -0.85 0.00 0.00 174.74 172.23 3mtr s SER 547 N -3.00 0.41 -0.09 1.40 1.04 -1.26 -1.04 113.70 111.16 3mtr s SER 547 Ca 0.58 -1.16 -0.15 0.00 0.48 0.00 0.00 55.95 55.71 3mtr s SER 547 Cb -0.10 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.32 3mtr s SER 547 CO 0.30 -0.69 0.37 -0.75 0.98 0.00 0.00 173.24 173.45 3mtr s LYS 548 N -4.01 0.56 0.11 4.02 2.20 -0.47 -5.00 119.74 117.16 3mtr s LYS 548 Ca 0.20 0.24 0.04 0.00 -0.36 0.00 0.00 55.97 56.09 3mtr s LYS 548 Cb 0.07 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 3mtr s LYS 548 CO -0.01 -0.12 0.07 -1.58 -0.36 0.00 0.00 175.35 173.36 3mtr s TRP 549 N -0.46 3.11 -0.01 4.03 0.52 -1.26 -1.26 118.94 123.61 3mtr s TRP 549 Ca -0.06 0.01 0.01 0.00 0.02 0.00 0.00 56.10 56.08 3mtr s TRP 549 Cb -0.04 -1.55 0.00 0.00 -1.15 0.00 0.00 33.47 30.73 3mtr s TRP 549 CO 0.02 0.51 -0.02 0.71 0.02 0.00 0.00 176.95 178.19 3mtr s TYR 550 N -1.50 0.28 0.26 -1.98 2.02 0.14 -4.99 117.35 111.59 3mtr s TYR 550 Ca 0.29 -0.04 -0.30 0.00 -0.37 0.00 0.00 57.07 56.65 3mtr s TYR 550 Cb -0.11 -0.22 -0.10 0.00 -0.40 0.00 0.00 41.96 41.13 3mtr s TYR 550 CO 0.21 -0.03 1.32 0.34 -1.57 0.00 0.00 175.55 175.83 3mtr s ASP 551 N 0.15 6.82 0.49 2.29 -1.08 -1.26 -0.67 116.67 123.40 3mtr s ASP 551 Ca -0.01 2.56 0.33 0.00 -0.52 0.00 0.00 52.55 54.90 3mtr s ASP 551 Cb -0.04 -2.63 1.51 0.00 -1.46 0.00 0.00 42.92 40.31 3mtr s ASP 551 CO -0.00 -0.54 1.98 0.00 0.52 0.00 0.00 175.17 177.12 3mtr h ALA 552 N 4.46 1.00 -1.01 3.66 0.00 -1.37 -1.85 119.26 124.15 3mtr h ALA 552 Ca -0.47 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.47 3mtr h ALA 552 Cb 1.22 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 3mtr h ALA 552 CO 0.72 0.00 0.66 -0.22 0.00 0.00 0.00 179.25 180.42 3mtr h LYS 553 N 0.00 1.27 0.08 0.00 3.64 -1.91 0.16 116.57 119.81 3mtr h LYS 553 Ca 0.00 -0.08 -0.28 0.00 -1.27 0.00 0.00 60.65 59.03 3mtr h LYS 553 Cb 0.30 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3mtr h LYS 553 CO 0.00 0.84 -1.47 0.93 -2.27 0.00 0.00 179.45 177.48 3mtr h GLU 554 N 1.31 0.17 -0.37 1.90 3.07 -1.85 -3.31 114.58 115.49 3mtr h GLU 554 Ca 0.39 -0.28 -0.03 0.00 -0.50 0.00 0.00 59.36 58.94 3mtr h GLU 554 Cb -0.05 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 3mtr h GLU 554 CO -0.11 1.14 0.12 0.00 -1.40 0.00 0.00 179.01 178.76 3mtr h ALA 555 N -0.15 1.52 0.00 3.43 0.00 -1.35 -2.58 119.26 120.13 3mtr h ALA 555 Ca -0.34 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3mtr h ALA 555 Cb 1.67 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3mtr h ALA 555 CO -0.02 0.37 -0.06 0.43 0.00 0.00 0.00 179.25 179.97 3mtr n SER 556 N -4.37 0.35 -0.15 0.00 7.64 0.56 -0.75 113.62 116.91 3mtr n SER 556 Ca 0.02 0.47 -0.09 0.00 1.01 0.00 0.00 58.87 60.28 3mtr n SER 556 Cb 0.16 -0.54 -0.00 0.00 -1.01 0.00 0.00 64.21 62.82 3mtr n SER 556 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3mtr h MET 557 N 0.00 0.69 0.00 1.43 2.86 -1.55 -3.35 114.93 115.01 3mtr h MET 557 Ca 0.00 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3mtr h MET 557 Cb 0.60 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3mtr h MET 557 CO 0.00 0.66 0.00 0.39 1.06 0.00 0.00 176.91 179.02 3mtr n GLU 558 N -4.56 1.94 -3.36 1.72 1.02 -1.25 -5.00 120.64 111.15 3mtr n GLU 558 Ca 0.00 -0.21 -0.18 0.00 -0.02 0.00 0.00 57.16 56.76 3mtr n GLU 558 Cb 0.18 -0.65 0.07 0.00 -0.02 0.00 0.00 31.44 31.02 3mtr n GLU 558 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mtr n GLY 559 N 0.34 -0.31 2.93 0.62 0.00 0.07 -4.81 105.19 104.02 3mtr n GLY 559 Ca 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 3mtr n GLY 559 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mtr s ILE 560 N -3.30 0.44 0.10 -0.61 1.01 -1.18 -0.72 121.20 116.94 3mtr s ILE 560 Ca 0.27 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.81 3mtr s ILE 560 Cb -0.12 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 3mtr s ILE 560 CO 0.64 0.15 -0.17 0.68 0.00 0.00 0.00 174.94 176.24 3mtr s VAL 561 N 0.25 1.41 -0.16 2.92 -7.23 -0.43 -4.61 120.40 112.55 3mtr s VAL 561 Ca -0.03 -1.49 -0.06 0.00 -1.81 0.00 0.00 61.98 58.60 3mtr s VAL 561 Cb -0.07 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 3mtr s VAL 561 CO -0.00 -0.19 0.04 -0.89 -0.31 0.00 0.00 175.10 173.75 3mtr s THR 562 N -1.39 4.61 0.07 5.32 2.01 -1.26 -0.15 115.64 124.85 3mtr s THR 562 Ca 0.04 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.96 3mtr s THR 562 Cb -0.09 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 3mtr s THR 562 CO 0.03 0.50 0.07 0.27 -0.69 0.00 0.00 174.62 174.80 3mtr s ILE 563 N 0.06 4.48 0.16 1.82 -4.36 -0.37 -4.96 121.20 118.02 3mtr s ILE 563 Ca 0.04 -0.74 0.01 0.00 -0.26 0.00 0.00 60.65 59.70 3mtr s ILE 563 Cb -0.12 -3.14 -0.04 0.00 1.25 0.00 0.00 42.46 40.41 3mtr s ILE 563 CO 0.01 0.16 0.02 0.68 0.24 0.00 0.00 174.94 176.06 3mtr s VAL 564 N -1.34 0.50 0.00 8.37 -7.23 -1.26 -1.54 120.40 117.89 3mtr s VAL 564 Ca 0.28 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 3mtr s VAL 564 Cb -0.12 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.70 3mtr s VAL 564 CO 0.20 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 3mtr n GLY 565 N -0.21 0.47 3.91 2.32 0.00 -0.55 -4.95 105.19 106.17 3mtr n GLY 565 Ca -0.06 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 3mtr n GLY 565 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mtr s LEU 566 N 0.00 3.70 -0.10 0.99 1.43 0.22 -5.04 118.68 119.88 3mtr s LEU 566 Ca 0.00 0.90 -0.07 0.00 -1.03 0.00 0.00 54.13 53.93 3mtr s LEU 566 Cb 0.00 -3.83 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 3mtr s LEU 566 CO 0.00 -0.52 0.16 -0.54 0.23 0.00 0.00 176.35 175.69 3mtr s LYS 567 N -4.55 3.47 0.72 1.70 1.02 -1.26 -4.27 119.74 116.57 3mtr s LYS 567 Ca 0.47 -0.12 -0.13 0.00 0.02 0.00 0.00 55.97 56.21 3mtr s LYS 567 Cb -0.10 -3.18 0.03 0.00 -0.52 0.00 0.00 37.83 34.06 3mtr s LYS 567 CO 0.42 0.76 1.12 -1.25 -0.92 0.00 0.00 175.35 175.48 3mtr s PRO 568 N -1.15 2.38 -1.52 -1.68 0.04 -1.17 -3.73 135.00 128.18 3mtr s PRO 568 Ca 0.17 1.40 -0.10 0.00 0.04 0.00 0.00 61.00 62.51 3mtr s PRO 568 Cb -0.12 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.59 3mtr s PRO 568 CO 0.06 -1.58 0.73 -1.91 0.04 0.00 0.00 177.00 174.35 3mtr n GLU 569 N -2.94 -4.10 -4.51 4.56 2.13 -0.49 -4.92 120.64 110.38 3mtr n GLU 569 Ca 0.11 0.48 -0.20 0.00 0.66 0.00 0.00 57.16 58.20 3mtr n GLU 569 Cb 0.52 -5.06 -0.15 0.00 0.27 0.00 0.00 31.44 27.02 3mtr n GLU 569 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3mtr s THR 570 N -3.53 0.91 0.01 6.31 2.01 -1.24 -4.88 115.64 115.22 3mtr s THR 570 Ca 0.42 -0.49 -0.22 0.00 0.31 0.00 0.00 61.69 61.71 3mtr s THR 570 Cb -0.22 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 3mtr s THR 570 CO 0.87 0.26 0.64 -0.89 -0.69 0.00 0.00 174.62 174.81 3mtr s THR 571 N -0.26 4.86 0.12 -0.82 2.01 -1.26 -1.23 115.64 119.06 3mtr s THR 571 Ca 0.04 1.34 0.07 0.00 0.31 0.00 0.00 61.69 63.46 3mtr s THR 571 Cb -0.05 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 3mtr s THR 571 CO -0.00 0.40 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.86 3mtr s TYR 572 N -0.15 1.54 0.02 4.92 2.02 0.25 -0.33 117.35 125.62 3mtr s TYR 572 Ca 0.33 -0.50 -0.01 0.00 -0.37 0.00 0.00 57.07 56.52 3mtr s TYR 572 Cb -0.19 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 3mtr s TYR 572 CO 0.19 0.19 0.15 0.00 -1.57 0.00 0.00 175.55 174.51 3mtr s ALA 573 N -1.88 3.84 0.03 3.71 0.00 -0.47 -1.41 121.76 125.58 3mtr s ALA 573 Ca 0.09 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.24 3mtr s ALA 573 Cb -0.06 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 3mtr s ALA 573 CO 0.04 0.76 -0.09 0.54 0.00 0.00 0.00 175.76 177.00 3mtr s VAL 574 N -1.35 0.68 0.16 0.00 0.11 -0.36 -1.50 120.40 118.14 3mtr s VAL 574 Ca 0.28 -0.85 -0.05 0.00 -2.93 0.00 0.00 61.98 58.43 3mtr s VAL 574 Cb -0.13 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 3mtr s VAL 574 CO 0.20 -0.15 0.18 0.00 -3.33 0.00 0.00 175.10 172.00 3mtr s ARG 575 N -1.10 1.09 -0.00 1.54 1.70 -0.26 -0.75 118.95 121.16 3mtr s ARG 575 Ca -0.04 -1.35 -0.03 0.00 -0.47 0.00 0.00 55.73 53.85 3mtr s ARG 575 Cb -0.07 0.31 -0.00 0.00 -0.57 0.00 0.00 34.95 34.61 3mtr s ARG 575 CO 0.01 -0.36 0.06 -1.17 -1.08 0.00 0.00 175.30 172.75 3mtr s LEU 576 N -3.03 1.85 0.09 -1.89 2.96 -1.26 -1.13 118.68 116.27 3mtr s LEU 576 Ca 0.23 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 3mtr s LEU 576 Cb 0.05 0.31 -0.04 0.00 0.50 0.00 0.00 46.19 47.01 3mtr s LEU 576 CO 0.03 -0.20 -0.08 0.00 -1.32 0.00 0.00 176.35 174.77 3mtr s ALA 577 N -0.80 1.01 -0.05 5.97 0.00 0.01 -0.91 121.76 126.99 3mtr s ALA 577 Ca -0.09 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.67 3mtr s ALA 577 Cb -0.05 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3mtr s ALA 577 CO 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 175.76 175.60 3mtr s ALA 578 N -2.79 3.07 -0.18 0.00 0.00 -1.26 -0.57 121.76 120.03 3mtr s ALA 578 Ca 0.06 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 3mtr s ALA 578 Cb -0.01 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 3mtr s ALA 578 CO -0.02 0.59 0.05 -1.17 0.00 0.00 0.00 175.76 175.22 3mtr s LEU 579 N -1.04 3.74 0.00 0.00 2.96 0.98 -0.32 118.68 124.99 3mtr s LEU 579 Ca 0.14 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 3mtr s LEU 579 Cb -0.11 -1.94 -0.00 0.00 0.50 0.00 0.00 46.19 44.64 3mtr s LEU 579 CO 0.04 0.16 0.00 -0.46 -1.32 0.00 0.00 176.35 174.77 3mtr n ASN 580 N 3.62 2.06 0.26 3.68 0.23 -0.57 -0.16 115.26 124.38 3mtr n ASN 580 Ca -0.17 -1.34 0.11 0.00 -0.53 0.00 0.00 54.58 52.65 3mtr n ASN 580 Cb 0.52 0.07 0.73 0.00 -2.08 0.00 0.00 39.78 39.02 3mtr n ASN 580 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3mtr h GLY 581 N 0.19 0.00 1.92 4.83 0.00 -1.88 -1.32 103.07 106.81 3mtr h GLY 581 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.09 3mtr h GLY 581 CO 0.10 0.00 -0.82 1.70 0.00 0.00 0.00 176.54 177.52 3mtr h LYS 582 N 0.00 0.08 0.00 4.80 1.63 -1.95 -3.50 116.57 117.63 3mtr h LYS 582 Ca 0.01 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3mtr h LYS 582 Cb 0.05 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3mtr h LYS 582 CO -0.00 0.85 0.00 0.41 -3.45 0.00 0.00 179.45 177.26 3mtr n GLY 583 N 0.79 0.12 3.73 5.01 0.00 -0.50 -4.91 105.19 109.44 3mtr n GLY 583 Ca -0.02 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 3mtr n GLY 583 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mtr s LEU 584 N 0.00 4.42 0.00 0.99 2.96 -1.26 -1.52 118.68 124.27 3mtr s LEU 584 Ca 0.00 1.46 0.00 0.00 -0.22 0.00 0.00 54.13 55.37 3mtr s LEU 584 Cb 0.00 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.41 3mtr s LEU 584 CO 0.00 -0.05 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 3mtr n GLY 585 N 2.57 -0.56 3.75 7.98 0.00 0.56 -4.84 105.19 114.65 3mtr n GLY 585 Ca -0.01 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 3mtr n GLY 585 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mtr s GLU 586 N -2.16 4.22 0.31 1.61 2.12 -0.97 -4.70 118.70 119.14 3mtr s GLU 586 Ca 0.00 2.39 -0.28 0.00 0.36 0.00 0.00 54.97 57.44 3mtr s GLU 586 Cb 0.00 -3.07 -0.09 0.00 0.26 0.00 0.00 34.13 31.23 3mtr s GLU 586 CO 0.00 -0.46 1.03 0.42 -0.54 0.00 0.00 175.26 175.71 3mtr s ILE 587 N -0.27 3.79 0.81 -3.70 1.01 -1.26 -4.07 121.20 117.51 3mtr s ILE 587 Ca 0.58 1.64 -0.11 0.00 0.00 0.00 0.00 60.65 62.76 3mtr s ILE 587 Cb -0.44 -3.98 0.08 0.00 0.01 0.00 0.00 42.46 38.13 3mtr s ILE 587 CO 0.48 0.27 1.09 -0.94 0.00 0.00 0.00 174.94 175.84 3mtr s SER 588 N -1.24 4.19 0.60 3.58 1.04 -0.09 -4.86 113.70 116.92 3mtr s SER 588 Ca 0.48 1.69 -0.19 0.00 0.48 0.00 0.00 55.95 58.41 3mtr s SER 588 Cb -0.26 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 3mtr s SER 588 CO 0.33 -2.21 1.16 0.00 0.98 0.00 0.00 173.24 173.50 3mtr n ALA 589 N -3.63 0.81 -1.79 5.32 0.00 -1.26 -4.63 120.51 115.33 3mtr n ALA 589 Ca 0.08 0.04 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 3mtr n ALA 589 Cb 0.54 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 3mtr n ALA 589 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mtr s ALA 590 N -1.41 3.16 -0.11 0.00 0.00 -1.26 -4.71 121.76 117.43 3mtr s ALA 590 Ca 0.77 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 53.24 3mtr s ALA 590 Cb -0.41 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 3mtr s ALA 590 CO 0.46 0.12 -0.10 0.45 0.00 0.00 0.00 175.76 176.69 3mtr s SER 591 N -1.74 4.35 0.05 0.00 0.15 0.07 -4.92 113.70 111.66 3mtr s SER 591 Ca 0.54 -0.19 -0.19 0.00 0.70 0.00 0.00 55.95 56.81 3mtr s SER 591 Cb -0.17 -1.45 -0.06 0.00 -1.71 0.00 0.00 66.02 62.63 3mtr s SER 591 CO 0.22 0.24 0.55 -0.70 1.20 0.00 0.00 173.24 174.75 3mtr s GLU 592 N -0.06 4.20 0.19 5.44 2.12 -1.26 -1.22 118.70 128.11 3mtr s GLU 592 Ca -0.01 0.69 -0.10 0.00 0.36 0.00 0.00 54.97 55.91 3mtr s GLU 592 Cb -0.14 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 30.99 3mtr s GLU 592 CO 0.03 0.58 0.35 -0.59 -0.54 0.00 0.00 175.26 175.09 3mtr s PHE 593 N -0.88 0.41 -0.04 5.30 -0.12 -0.50 -4.96 117.98 117.19 3mtr s PHE 593 Ca 0.29 -0.75 0.03 0.00 -0.05 0.00 0.00 56.93 56.44 3mtr s PHE 593 Cb -0.19 0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.22 3mtr s PHE 593 CO 0.18 -0.81 -0.13 0.21 -0.05 0.00 0.00 175.22 174.62 3mtr s LYS 594 N -3.99 1.42 0.63 1.99 2.20 -1.26 -0.58 119.74 120.15 3mtr s LYS 594 Ca 0.20 -0.44 -0.13 0.00 -0.36 0.00 0.00 55.97 55.23 3mtr s LYS 594 Cb 0.02 -1.25 -0.02 0.00 -1.51 0.00 0.00 37.83 35.07 3mtr s LYS 594 CO 0.03 0.15 1.05 0.95 -0.36 0.00 0.00 175.35 177.17 3mtr s THR 595 N 0.23 3.97 0.64 3.43 -4.23 -0.37 -4.77 115.64 114.54 3mtr s THR 595 Ca -0.06 0.79 -0.16 0.00 -1.18 0.00 0.00 61.69 61.09 3mtr s THR 595 Cb -0.11 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.30 3mtr s THR 595 CO 0.02 -0.69 1.13 -1.10 -0.54 0.00 0.00 174.62 173.44 3mtr s GLN 596 N -4.52 2.88 0.85 3.99 -0.21 0.76 -2.95 119.66 120.45 3mtr s GLN 596 Ca 0.61 1.49 -0.12 0.00 0.02 0.00 0.00 55.36 57.36 3mtr s GLN 596 Cb -0.15 -1.95 0.10 0.00 1.00 0.00 0.00 33.01 32.01 3mtr s GLN 596 CO 0.45 -1.21 1.10 -1.25 -2.12 0.00 0.00 175.29 172.26 3mtr s PRO 597 N -3.86 1.67 0.50 2.91 0.04 -1.26 -1.39 135.00 133.61 3mtr s PRO 597 Ca 0.69 0.64 -0.22 0.00 0.04 0.00 0.00 61.00 62.16 3mtr s PRO 597 Cb -0.22 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 3mtr s PRO 597 CO 0.38 -1.91 1.16 0.08 0.04 0.00 0.00 177.00 176.76 3mtr s VAL 598 N -3.10 3.05 0.00 -0.36 1.01 -1.26 -4.85 120.40 114.89 3mtr s VAL 598 Ca 0.62 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.34 3mtr s VAL 598 Cb -0.16 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3mtr s VAL 598 CO 0.55 -0.06 0.00 1.67 0.00 0.00 0.00 175.10 177.26