#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aw7 s THR 402 N 0.00 3.91 0.84 2.46 -4.23 -1.26 -4.39 115.64 112.96 1aw7 s THR 402 Ca 0.00 -1.60 -0.07 0.00 -1.18 0.00 0.00 61.69 58.83 1aw7 s THR 402 Cb 0.00 -3.07 0.17 0.00 1.34 0.00 0.00 72.50 70.93 1aw7 s THR 402 CO 0.00 -0.31 1.15 0.54 -0.54 0.00 0.00 174.62 175.46 1aw7 s ASN 403 N -3.58 3.73 0.46 3.99 2.20 -1.26 -4.88 114.94 115.61 1aw7 s ASN 403 Ca 0.31 -0.14 0.13 0.00 -0.94 0.00 0.00 52.86 52.22 1aw7 s ASN 403 Cb -0.08 -0.05 1.09 0.00 -2.00 0.00 0.00 41.25 40.21 1aw7 s ASN 403 CO 0.22 -2.30 2.07 0.44 -2.94 0.00 0.00 177.10 174.59 1aw7 h ASP 404 N -1.05 0.24 0.04 3.54 3.32 -2.00 -2.61 116.42 117.91 1aw7 h ASP 404 Ca -0.39 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.65 1aw7 h ASP 404 Cb 1.25 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1aw7 h ASP 404 CO 0.38 0.17 -0.02 0.78 -1.72 0.00 0.00 179.24 178.82 1aw7 h ASN 405 N 0.28 -0.04 -0.70 6.45 2.35 -1.99 -2.44 115.58 119.48 1aw7 h ASN 405 Ca 0.13 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1aw7 h ASN 405 Cb 0.17 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 1aw7 h ASN 405 CO -0.03 0.07 0.31 0.40 -1.65 0.00 0.00 177.43 176.53 1aw7 h ILE 406 N -0.15 1.24 -0.42 2.81 1.08 -1.86 -1.90 117.51 118.30 1aw7 h ILE 406 Ca -0.01 -0.72 -0.09 0.00 -0.39 0.00 0.00 64.86 63.66 1aw7 h ILE 406 Cb 0.14 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 1aw7 h ILE 406 CO 0.01 0.29 -0.10 0.11 -0.69 0.00 0.00 178.15 177.77 1aw7 h LYS 407 N 1.03 0.75 -0.20 2.37 1.57 -1.36 -0.83 116.57 119.91 1aw7 h LYS 407 Ca 0.25 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1aw7 h LYS 407 Cb 0.16 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1aw7 h LYS 407 CO -0.03 0.83 0.10 -0.44 -0.57 0.00 0.00 179.45 179.34 1aw7 h ASP 408 N 0.69 0.15 -0.56 0.86 3.32 -1.03 -0.71 116.42 119.13 1aw7 h ASP 408 Ca 0.12 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.21 1aw7 h ASP 408 Cb 0.57 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1aw7 h ASP 408 CO 0.03 0.11 0.33 -0.07 -1.72 0.00 0.00 179.24 177.93 1aw7 h LEU 409 N 0.21 0.54 -0.68 1.55 3.38 -0.84 -1.90 115.31 117.57 1aw7 h LEU 409 Ca 0.08 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1aw7 h LEU 409 Cb 0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1aw7 h LEU 409 CO -0.05 0.37 0.30 0.25 0.09 0.00 0.00 178.44 179.40 1aw7 h LEU 410 N 0.66 0.91 -0.01 1.67 5.85 -0.97 -1.27 115.31 122.15 1aw7 h LEU 410 Ca 0.23 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1aw7 h LEU 410 Cb 0.04 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1aw7 h LEU 410 CO -0.11 0.81 -0.07 0.44 -0.34 0.00 0.00 178.44 179.17 1aw7 h ASP 411 N 0.95 -0.21 0.16 1.25 3.32 -0.90 -2.48 116.42 118.51 1aw7 h ASP 411 Ca 0.23 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.32 1aw7 h ASP 411 Cb 0.16 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1aw7 h ASP 411 CO -0.02 -0.11 -0.23 -0.25 -1.72 0.00 0.00 179.24 176.91 1aw7 h TRP 412 N -0.12 -0.60 0.00 4.55 2.91 -1.12 -2.63 115.95 118.94 1aw7 h TRP 412 Ca 0.03 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1aw7 h TRP 412 Cb 0.16 0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.06 1aw7 h TRP 412 CO -0.14 -0.33 0.00 0.66 -1.03 0.00 0.00 178.44 177.60 1aw7 n TYR 413 N -5.35 0.00 -1.16 2.65 4.01 -0.50 -3.15 117.16 113.66 1aw7 n TYR 413 Ca -0.07 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.70 1aw7 n TYR 413 Cb 0.26 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.33 1aw7 n TYR 413 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1aw7 n SER 414 N -0.62 1.06 -1.44 7.72 3.41 -0.93 -4.51 113.62 118.30 1aw7 n SER 414 Ca 0.04 -2.12 0.05 0.00 -0.26 0.00 0.00 58.87 56.58 1aw7 n SER 414 Cb 0.02 -0.19 0.32 0.00 -0.26 0.00 0.00 64.21 64.10 1aw7 n SER 414 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1aw7 n SER 415 N -0.52 4.66 -0.07 4.04 3.41 -1.06 -5.05 113.62 119.04 1aw7 n SER 415 Ca 0.05 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.60 1aw7 n SER 415 Cb 0.56 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1aw7 n SER 415 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aw7 n GLY 416 N -0.07 -1.52 3.56 5.00 0.00 -1.26 -5.04 105.19 105.84 1aw7 n GLY 416 Ca 0.27 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 1aw7 n GLY 416 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aw7 s SER 417 N -4.00 -0.35 -0.22 1.61 1.04 -1.26 -4.92 113.70 105.60 1aw7 s SER 417 Ca 0.00 -0.10 -0.11 0.00 0.48 0.00 0.00 55.95 56.21 1aw7 s SER 417 Cb 0.00 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 1aw7 s SER 417 CO 0.00 -0.75 0.19 -1.81 0.98 0.00 0.00 173.24 171.86 1aw7 s ASP 418 N -2.63 6.21 -0.28 7.02 1.01 0.20 -4.98 116.67 123.23 1aw7 s ASP 418 Ca 0.06 0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.56 1aw7 s ASP 418 Cb -0.01 -2.12 0.05 0.00 1.01 0.00 0.00 42.92 41.85 1aw7 s ASP 418 CO -0.07 0.08 -0.06 -0.89 0.21 0.00 0.00 175.17 174.44 1aw7 s THR 419 N 0.84 2.54 -0.03 -1.27 2.01 -1.26 -1.95 115.64 116.51 1aw7 s THR 419 Ca 0.10 -1.51 0.07 0.00 0.31 0.00 0.00 61.69 60.65 1aw7 s THR 419 Cb -0.13 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 1aw7 s THR 419 CO 0.03 -0.05 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.31 1aw7 s PHE 420 N 1.17 2.15 -0.06 4.92 0.08 -0.13 -5.00 117.98 121.11 1aw7 s PHE 420 Ca -0.07 -0.48 0.03 0.00 0.12 0.00 0.00 56.93 56.53 1aw7 s PHE 420 Cb -0.20 -1.40 -0.02 0.00 -0.57 0.00 0.00 43.02 40.83 1aw7 s PHE 420 CO -0.03 -0.09 -0.15 0.95 -0.10 0.00 0.00 175.22 175.80 1aw7 s THR 421 N -0.42 3.01 -1.17 0.64 -4.23 -1.26 -0.81 115.64 111.40 1aw7 s THR 421 Ca 0.05 -0.73 -0.01 0.00 -1.18 0.00 0.00 61.69 59.82 1aw7 s THR 421 Cb -0.10 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1aw7 s THR 421 CO 0.00 0.58 0.98 0.59 -0.54 0.00 0.00 174.62 176.24 1aw7 n ASN 422 N 2.50 -2.68 -4.80 3.99 3.02 -0.98 -4.66 115.26 111.65 1aw7 n ASN 422 Ca -0.17 -0.58 -0.29 0.00 -0.03 0.00 0.00 54.58 53.51 1aw7 n ASN 422 Cb 0.52 -4.90 0.10 0.00 -0.61 0.00 0.00 39.78 34.89 1aw7 n ASN 422 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1aw7 s SER 423 N -4.14 4.33 -0.14 6.41 0.01 0.17 -4.59 113.70 115.75 1aw7 s SER 423 Ca 0.09 0.70 0.02 0.00 1.31 0.00 0.00 55.95 58.07 1aw7 s SER 423 Cb -0.04 -1.14 0.02 0.00 0.21 0.00 0.00 66.02 65.07 1aw7 s SER 423 CO 0.70 -2.01 -0.18 -0.70 0.41 0.00 0.00 173.24 171.46 1aw7 s GLU 424 N -5.61 2.60 0.16 12.44 2.12 -0.57 -0.24 118.70 129.60 1aw7 s GLU 424 Ca 0.64 -0.69 -0.32 0.00 0.36 0.00 0.00 54.97 54.96 1aw7 s GLU 424 Cb -0.10 -2.20 -0.10 0.00 0.26 0.00 0.00 34.13 31.99 1aw7 s GLU 424 CO 0.49 -0.10 1.60 0.08 -0.54 0.00 0.00 175.26 176.79 1aw7 s VAL 425 N 1.05 2.60 -0.15 3.70 1.01 -0.51 -0.90 120.40 127.20 1aw7 s VAL 425 Ca -0.03 0.40 0.09 0.00 0.00 0.00 0.00 61.98 62.44 1aw7 s VAL 425 Cb -0.14 -3.26 -0.16 0.00 0.00 0.00 0.00 36.38 32.82 1aw7 s VAL 425 CO -0.05 0.03 -0.01 0.18 0.00 0.00 0.00 175.10 175.25 1aw7 n LEU 426 N 4.16 0.86 -3.56 3.92 4.77 0.11 -1.23 117.00 126.03 1aw7 n LEU 426 Ca 0.14 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.95 1aw7 n LEU 426 Cb 0.38 0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1aw7 n LEU 426 CO 0.62 0.48 0.55 -0.62 -1.33 0.00 0.00 177.39 177.09 1aw7 s ASP 427 N -5.03 -0.58 -0.31 -1.43 2.15 -0.86 -4.76 116.67 105.85 1aw7 s ASP 427 Ca -0.12 0.74 -0.03 0.00 0.43 0.00 0.00 52.55 53.58 1aw7 s ASP 427 Cb 0.05 0.62 0.11 0.00 -0.30 0.00 0.00 42.92 43.40 1aw7 s ASP 427 CO 0.53 -0.46 0.15 0.21 -0.17 0.00 0.00 175.17 175.44 1aw7 s ASN 428 N -0.86 3.40 0.83 -0.34 3.84 -1.26 -2.07 114.94 118.48 1aw7 s ASN 428 Ca -0.06 -1.57 -0.06 0.00 0.21 0.00 0.00 52.86 51.39 1aw7 s ASN 428 Cb -0.01 -0.39 0.17 0.00 -0.55 0.00 0.00 41.25 40.47 1aw7 s ASN 428 CO 0.05 -0.40 1.08 -1.20 -2.79 0.00 0.00 177.10 173.84 1aw7 n SER 429 N 4.88 0.88 -4.59 -4.21 7.64 0.02 -4.98 113.62 113.26 1aw7 n SER 429 Ca -0.01 -1.88 -0.42 0.00 1.01 0.00 0.00 58.87 57.58 1aw7 n SER 429 Cb 0.41 -0.75 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 1aw7 n SER 429 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1aw7 s LEU 430 N 0.00 3.45 -1.27 -3.43 2.96 -1.26 -2.82 118.68 116.31 1aw7 s LEU 430 Ca 0.67 1.26 -0.08 0.00 -0.22 0.00 0.00 54.13 55.76 1aw7 s LEU 430 Cb -0.03 -3.28 0.01 0.00 0.50 0.00 0.00 46.19 43.39 1aw7 s LEU 430 CO 0.46 -1.96 1.06 0.61 -1.32 0.00 0.00 176.35 175.19 1aw7 n GLY 431 N 5.58 -0.43 3.55 7.98 0.00 -1.26 -5.00 105.19 115.61 1aw7 n GLY 431 Ca 0.25 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.44 1aw7 n GLY 431 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aw7 s SER 432 N -3.25 -0.80 0.13 1.61 0.15 -1.13 -1.43 113.70 108.97 1aw7 s SER 432 Ca 0.52 1.15 0.09 0.00 0.70 0.00 0.00 55.95 58.41 1aw7 s SER 432 Cb -0.23 1.77 -0.04 0.00 -1.71 0.00 0.00 66.02 65.81 1aw7 s SER 432 CO 0.65 -0.17 -0.15 -0.04 1.20 0.00 0.00 173.24 174.73 1aw7 s MET 433 N 2.32 1.88 -0.17 5.44 -1.94 0.07 -0.80 119.30 126.10 1aw7 s MET 433 Ca -0.06 -1.18 0.01 0.00 -1.71 0.00 0.00 55.69 52.75 1aw7 s MET 433 Cb -0.07 -2.14 0.03 0.00 2.01 0.00 0.00 34.83 34.65 1aw7 s MET 433 CO -0.18 0.47 -0.14 0.50 -0.01 0.00 0.00 175.02 175.66 1aw7 s ARG 434 N -2.29 2.39 0.01 2.03 3.52 -0.88 -0.69 118.95 123.05 1aw7 s ARG 434 Ca 0.20 -0.70 0.06 0.00 -0.13 0.00 0.00 55.73 55.16 1aw7 s ARG 434 Cb -0.10 -2.29 -0.02 0.00 -1.56 0.00 0.00 34.95 30.98 1aw7 s ARG 434 CO 0.12 -0.28 -0.17 0.42 -0.81 0.00 0.00 175.30 174.57 1aw7 s ILE 435 N 1.42 1.38 -0.20 4.11 1.01 -0.36 -0.71 121.20 127.85 1aw7 s ILE 435 Ca 0.03 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 1aw7 s ILE 435 Cb -0.14 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1aw7 s ILE 435 CO -0.11 0.25 0.02 -0.75 0.00 0.00 0.00 174.94 174.35 1aw7 s LYS 436 N -0.79 3.70 0.34 2.79 2.20 -0.08 -0.71 119.74 127.20 1aw7 s LYS 436 Ca 0.06 -0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 55.17 1aw7 s LYS 436 Cb -0.07 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1aw7 s LYS 436 CO 0.00 0.07 0.57 -0.80 -0.36 0.00 0.00 175.35 174.84 1aw7 s ASN 437 N 0.87 6.33 0.45 1.43 0.01 0.76 -1.51 114.94 123.28 1aw7 s ASN 437 Ca 0.01 0.57 0.22 0.00 -0.71 0.00 0.00 52.86 52.96 1aw7 s ASN 437 Cb -0.14 -2.09 1.21 0.00 0.41 0.00 0.00 41.25 40.64 1aw7 s ASN 437 CO 0.02 -0.29 1.64 0.71 -1.51 0.00 0.00 177.10 177.66 1aw7 h THR 438 N 0.87 0.00 -0.05 1.60 1.35 -1.83 0.02 112.91 114.88 1aw7 h THR 438 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1aw7 h THR 438 Cb 1.21 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1aw7 h THR 438 CO 0.63 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.00 1aw7 n ASP 439 N -2.42 2.85 0.00 5.36 5.75 -1.26 -4.93 116.55 121.90 1aw7 n ASP 439 Ca -0.01 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1aw7 n ASP 439 Cb 0.26 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1aw7 n ASP 439 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aw7 n GLY 440 N 1.34 0.24 3.85 6.12 0.00 -0.00 -5.08 105.19 111.65 1aw7 n GLY 440 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1aw7 n GLY 440 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aw7 s SER 441 N -2.01 5.62 -0.06 1.61 1.04 -1.26 -4.72 113.70 113.92 1aw7 s SER 441 Ca 0.00 1.45 0.05 0.00 0.48 0.00 0.00 55.95 57.92 1aw7 s SER 441 Cb 0.00 -2.36 -0.02 0.00 0.10 0.00 0.00 66.02 63.74 1aw7 s SER 441 CO 0.00 -1.27 -0.20 -0.63 0.98 0.00 0.00 173.24 172.12 1aw7 s ILE 442 N -3.15 2.51 -0.11 -1.02 1.01 -0.49 -0.17 121.20 119.78 1aw7 s ILE 442 Ca 0.57 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 1aw7 s ILE 442 Cb -0.13 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 1aw7 s ILE 442 CO 0.54 0.57 -0.09 -0.44 0.00 0.00 0.00 174.94 175.53 1aw7 s SER 443 N -0.39 4.41 -0.38 3.58 0.01 0.11 -0.77 113.70 120.27 1aw7 s SER 443 Ca 0.04 -0.18 -0.11 0.00 1.31 0.00 0.00 55.95 57.00 1aw7 s SER 443 Cb -0.12 -1.47 0.03 0.00 0.21 0.00 0.00 66.02 64.67 1aw7 s SER 443 CO 0.02 0.24 0.22 -0.76 0.41 0.00 0.00 173.24 173.36 1aw7 s LEU 444 N -0.06 4.79 -0.12 2.44 1.43 0.09 -1.23 118.68 126.03 1aw7 s LEU 444 Ca -0.01 -1.00 0.01 0.00 -1.03 0.00 0.00 54.13 52.10 1aw7 s LEU 444 Cb -0.14 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1aw7 s LEU 444 CO 0.03 -0.40 -0.15 -0.63 0.23 0.00 0.00 176.35 175.43 1aw7 s ILE 445 N 1.57 2.89 0.06 -0.59 1.01 0.14 -1.73 121.20 124.54 1aw7 s ILE 445 Ca 0.02 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1aw7 s ILE 445 Cb -0.19 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1aw7 s ILE 445 CO 0.07 0.53 0.17 0.27 0.00 0.00 0.00 174.94 175.98 1aw7 s ILE 446 N 0.30 5.13 -0.53 2.92 -4.36 -0.97 -0.75 121.20 122.94 1aw7 s ILE 446 Ca -0.11 -0.50 0.04 0.00 -0.26 0.00 0.00 60.65 59.81 1aw7 s ILE 446 Cb -0.16 -3.49 0.15 0.00 1.25 0.00 0.00 42.46 40.21 1aw7 s ILE 446 CO 0.06 0.14 0.35 -0.36 0.24 0.00 0.00 174.94 175.37 1aw7 s PHE 447 N -1.47 2.40 0.30 1.37 0.40 -0.52 -1.56 117.98 118.91 1aw7 s PHE 447 Ca 0.33 -2.77 0.37 0.00 -0.60 0.00 0.00 56.93 54.27 1aw7 s PHE 447 Cb -0.13 -2.01 1.73 0.00 0.51 0.00 0.00 43.02 43.12 1aw7 s PHE 447 CO 0.26 -0.71 2.12 -1.00 0.70 0.00 0.00 175.22 176.59 1aw7 h PRO 448 N 6.01 0.00 -6.49 0.24 0.13 -1.85 -3.43 132.00 126.60 1aw7 h PRO 448 Ca 0.10 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.70 1aw7 h PRO 448 Cb 0.86 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.96 1aw7 h PRO 448 CO 0.55 0.00 0.20 0.45 -0.23 0.00 0.00 178.00 178.98 1aw7 s SER 449 N -5.52 7.38 0.10 1.44 0.15 -1.25 -4.76 113.70 111.23 1aw7 s SER 449 Ca -0.01 1.63 0.23 0.00 0.70 0.00 0.00 55.95 58.50 1aw7 s SER 449 Cb 0.10 -2.51 0.92 0.00 -1.71 0.00 0.00 66.02 62.83 1aw7 s SER 449 CO 0.50 0.14 1.72 -0.81 1.20 0.00 0.00 173.24 175.98 1aw7 n PRO 450 N 1.98 0.09 0.00 5.44 -0.04 -1.26 -2.94 135.00 138.27 1aw7 n PRO 450 Ca -0.04 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1aw7 n PRO 450 Cb 0.49 -1.64 0.19 0.00 -0.04 0.00 0.00 33.50 32.50 1aw7 n PRO 450 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1aw7 n TYR 451 N -1.81 0.00 -3.33 0.54 4.02 -1.26 -4.67 117.16 110.64 1aw7 n TYR 451 Ca 0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.76 1aw7 n TYR 451 Cb 0.29 -0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.53 1aw7 n TYR 451 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1aw7 s TYR 452 N -2.06 -0.17 -0.25 -0.72 5.04 -1.15 -3.63 117.35 114.41 1aw7 s TYR 452 Ca 0.29 -1.04 0.01 0.00 -2.44 0.00 0.00 57.07 53.90 1aw7 s TYR 452 Cb 0.20 -0.44 0.07 0.00 0.35 0.00 0.00 41.96 42.13 1aw7 s TYR 452 CO 0.34 -0.97 -0.03 0.45 -1.34 0.00 0.00 175.55 174.00 1aw7 s SER 453 N 1.20 3.96 0.46 4.32 0.15 -1.26 -4.51 113.70 118.03 1aw7 s SER 453 Ca 0.20 -1.31 -0.25 0.00 0.70 0.00 0.00 55.95 55.29 1aw7 s SER 453 Cb -0.13 -1.20 -0.08 0.00 -1.71 0.00 0.00 66.02 62.90 1aw7 s SER 453 CO -0.04 -0.26 1.42 -2.84 1.20 0.00 0.00 173.24 172.72 1aw7 s PRO 454 N 1.36 3.60 0.00 5.44 0.02 -1.26 -4.98 135.00 139.19 1aw7 s PRO 454 Ca -0.03 2.40 0.25 0.00 0.02 0.00 0.00 61.00 63.64 1aw7 s PRO 454 Cb -0.19 -2.60 0.50 0.00 0.02 0.00 0.00 34.50 32.23 1aw7 s PRO 454 CO -0.08 -0.88 1.43 0.00 -0.33 0.00 0.00 177.00 177.15 1aw7 n ALA 455 N -0.32 2.50 -1.73 -1.55 0.00 -1.26 -5.02 120.51 113.13 1aw7 n ALA 455 Ca 0.06 -0.62 -0.39 0.00 0.00 0.00 0.00 53.44 52.49 1aw7 n ALA 455 Cb 0.42 -0.94 0.04 0.00 0.00 0.00 0.00 19.45 18.97 1aw7 n ALA 455 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1aw7 n PHE 456 N 0.95 2.22 -4.55 0.00 3.72 -1.26 -5.04 117.46 113.50 1aw7 n PHE 456 Ca 0.16 0.44 -0.28 0.00 -0.05 0.00 0.00 57.45 57.72 1aw7 n PHE 456 Cb 0.51 -2.36 -0.10 0.00 -0.94 0.00 0.00 39.48 36.59 1aw7 n PHE 456 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1aw7 s THR 457 N -1.28 2.01 -0.24 4.37 -4.23 -1.26 -4.77 115.64 110.23 1aw7 s THR 457 Ca 0.70 -1.95 -0.42 0.00 -1.18 0.00 0.00 61.69 58.84 1aw7 s THR 457 Cb -0.43 -2.96 -0.18 0.00 1.34 0.00 0.00 72.50 70.27 1aw7 s THR 457 CO 0.51 0.00 1.51 1.17 -0.54 0.00 0.00 174.62 177.26 1aw7 n LYS 458 N -1.03 0.55 0.00 3.99 4.81 -1.26 -2.02 118.16 123.20 1aw7 n LYS 458 Ca -0.05 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1aw7 n LYS 458 Cb 0.67 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.93 1aw7 n LYS 458 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aw7 n GLY 459 N 3.37 3.47 3.75 3.14 0.00 -0.36 -5.00 105.19 113.56 1aw7 n GLY 459 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 1aw7 n GLY 459 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aw7 s GLU 460 N -0.95 2.50 -0.07 1.61 2.02 -0.86 -4.67 118.70 118.28 1aw7 s GLU 460 Ca 0.00 1.49 -0.14 0.00 0.02 0.00 0.00 54.97 56.34 1aw7 s GLU 460 Cb 0.00 -1.90 -0.05 0.00 0.10 0.00 0.00 34.13 32.28 1aw7 s GLU 460 CO 0.00 -1.50 0.36 0.15 0.02 0.00 0.00 175.26 174.29 1aw7 s LYS 461 N -4.11 4.02 0.11 1.61 -0.14 -1.26 -1.43 119.74 118.54 1aw7 s LYS 461 Ca 0.69 0.29 0.02 0.00 -1.36 0.00 0.00 55.97 55.60 1aw7 s LYS 461 Cb -0.23 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 32.58 1aw7 s LYS 461 CO 0.44 0.50 -0.06 0.14 -0.76 0.00 0.00 175.35 175.61 1aw7 s VAL 462 N -0.41 0.73 -0.09 3.17 -7.23 0.66 -4.55 120.40 112.68 1aw7 s VAL 462 Ca 0.21 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.43 1aw7 s VAL 462 Cb -0.15 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 1aw7 s VAL 462 CO 0.10 -0.84 -0.05 -1.81 -0.31 0.00 0.00 175.10 172.19 1aw7 s ASP 463 N -3.06 4.81 -0.12 4.85 1.01 -0.35 -0.65 116.67 123.16 1aw7 s ASP 463 Ca 0.13 -0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.39 1aw7 s ASP 463 Cb 0.05 -1.37 -0.02 0.00 1.01 0.00 0.00 42.92 42.59 1aw7 s ASP 463 CO -0.04 0.33 -0.13 -0.76 0.21 0.00 0.00 175.17 174.78 1aw7 s LEU 464 N -0.58 2.75 -0.42 1.23 1.43 0.01 -1.45 118.68 121.66 1aw7 s LEU 464 Ca 0.09 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1aw7 s LEU 464 Cb -0.12 -1.61 0.17 0.00 0.03 0.00 0.00 46.19 44.66 1aw7 s LEU 464 CO 0.02 0.19 0.37 0.20 0.23 0.00 0.00 176.35 177.37 1aw7 s ASN 465 N 0.18 1.19 0.25 2.29 -0.87 -0.72 -0.96 114.94 116.30 1aw7 s ASN 465 Ca -0.07 -2.82 0.04 0.00 -1.57 0.00 0.00 52.86 48.45 1aw7 s ASN 465 Cb -0.15 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.25 40.92 1aw7 s ASN 465 CO 0.05 -0.17 0.16 1.07 -2.57 0.00 0.00 177.10 175.64 1aw7 n THR 466 N 2.98 0.00 -4.31 1.60 5.66 -0.82 -4.33 114.28 115.05 1aw7 n THR 466 Ca 0.27 -1.67 -0.18 0.00 -3.05 0.00 0.00 64.05 59.42 1aw7 n THR 466 Cb 0.48 0.75 -0.15 0.00 -1.55 0.00 0.00 70.33 69.86 1aw7 n THR 466 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1aw7 s LYS 467 N -2.99 0.68 0.37 1.09 1.02 -1.26 -0.63 119.74 118.03 1aw7 s LYS 467 Ca 0.23 -0.28 -0.25 0.00 0.02 0.00 0.00 55.97 55.69 1aw7 s LYS 467 Cb 0.01 -0.66 -0.09 0.00 -0.52 0.00 0.00 37.83 36.57 1aw7 s LYS 467 CO 0.16 0.16 1.03 1.03 -0.92 0.00 0.00 175.35 176.81 1aw7 s ARG 468 N -0.12 4.30 -0.01 1.68 0.52 -1.26 -2.16 118.95 121.89 1aw7 s ARG 468 Ca 0.02 1.48 0.18 0.00 -0.52 0.00 0.00 55.73 56.89 1aw7 s ARG 468 Cb -0.04 -2.64 -0.23 0.00 0.52 0.00 0.00 34.95 32.57 1aw7 s ARG 468 CO -0.00 -0.02 0.62 0.25 0.02 0.00 0.00 175.30 176.17 1aw7 n THR 469 N 0.14 0.00 -3.93 0.02 -2.24 0.05 -4.93 114.28 103.39 1aw7 n THR 469 Ca 0.04 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 1aw7 n THR 469 Cb 0.49 0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 1aw7 n THR 469 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1aw7 s LYS 470 N -2.91 1.81 0.23 -0.78 -2.85 -1.25 -5.10 119.74 108.89 1aw7 s LYS 470 Ca 0.01 -1.28 -0.31 0.00 -1.00 0.00 0.00 55.97 53.39 1aw7 s LYS 470 Cb 0.13 0.54 -0.11 0.00 -2.06 0.00 0.00 37.83 36.33 1aw7 s LYS 470 CO 0.74 -0.80 1.61 0.21 0.10 0.00 0.00 175.35 177.22 1aw7 s LYS 471 N -3.51 4.16 0.43 1.78 2.20 -1.26 -4.64 119.74 118.91 1aw7 s LYS 471 Ca 0.19 2.50 -0.25 0.00 -0.36 0.00 0.00 55.97 58.04 1aw7 s LYS 471 Cb -0.03 -3.09 -0.08 0.00 -1.51 0.00 0.00 37.83 33.12 1aw7 s LYS 471 CO 0.10 -0.64 1.33 -1.12 -0.36 0.00 0.00 175.35 174.66 1aw7 s SER 472 N 0.88 6.10 0.22 1.43 0.01 -1.26 -4.84 113.70 116.24 1aw7 s SER 472 Ca 0.68 2.70 0.07 0.00 1.31 0.00 0.00 55.95 60.71 1aw7 s SER 472 Cb -0.47 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.07 1aw7 s SER 472 CO 0.38 -1.00 -0.10 -1.10 0.41 0.00 0.00 173.24 171.83 1aw7 s GLN 473 N -2.39 1.36 0.03 12.44 1.11 -0.85 -4.97 119.66 126.40 1aw7 s GLN 473 Ca 0.60 -1.64 -0.00 0.00 0.01 0.00 0.00 55.36 54.33 1aw7 s GLN 473 Cb -0.39 -1.01 -0.04 0.00 -1.01 0.00 0.00 33.01 30.57 1aw7 s GLN 473 CO 0.49 0.10 0.15 -1.01 0.01 0.00 0.00 175.29 175.03 1aw7 s HIS 474 N -3.08 3.42 0.63 0.91 3.76 -1.26 -0.66 115.29 119.01 1aw7 s HIS 474 Ca 0.24 0.24 -0.02 0.00 -0.15 0.00 0.00 55.06 55.37 1aw7 s HIS 474 Cb 0.02 -1.75 0.06 0.00 1.11 0.00 0.00 32.58 32.02 1aw7 s HIS 474 CO 0.08 0.59 0.90 0.95 -0.85 0.00 0.00 174.74 176.40 1aw7 s THR 475 N -1.37 2.45 0.66 1.30 -4.23 -0.71 -4.93 115.64 108.80 1aw7 s THR 475 Ca 0.29 -0.51 0.37 0.00 -1.18 0.00 0.00 61.69 60.67 1aw7 s THR 475 Cb -0.13 -2.94 0.39 0.00 1.34 0.00 0.00 72.50 71.16 1aw7 s THR 475 CO 0.21 0.00 2.19 0.77 -0.54 0.00 0.00 174.62 177.25 1aw7 h SER 476 N -0.27 0.00 0.07 3.99 4.64 -2.00 0.23 113.55 120.21 1aw7 h SER 476 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1aw7 h SER 476 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1aw7 h SER 476 CO 0.53 0.00 -0.22 -0.62 -0.87 0.00 0.00 176.83 175.65 1aw7 n GLU 477 N -3.14 1.35 -0.39 4.77 1.02 -1.26 -4.98 120.64 118.01 1aw7 n GLU 477 Ca -0.02 -0.95 0.00 0.00 -0.02 0.00 0.00 57.16 56.17 1aw7 n GLU 477 Cb 0.21 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1aw7 n GLU 477 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aw7 n GLY 478 N 1.33 0.76 3.76 0.62 0.00 0.07 -5.06 105.19 106.67 1aw7 n GLY 478 Ca 0.13 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1aw7 n GLY 478 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aw7 s THR 479 N -2.00 5.06 -0.19 2.61 2.01 -1.26 -4.85 115.64 117.02 1aw7 s THR 479 Ca 0.00 1.02 -0.23 0.00 0.31 0.00 0.00 61.69 62.79 1aw7 s THR 479 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1aw7 s THR 479 CO 0.00 0.41 0.71 -0.47 -0.69 0.00 0.00 174.62 174.58 1aw7 s TYR 480 N -0.02 3.38 -0.14 4.92 5.04 -1.26 -1.73 117.35 127.54 1aw7 s TYR 480 Ca 0.27 1.05 -0.04 0.00 -2.44 0.00 0.00 57.07 55.91 1aw7 s TYR 480 Cb -0.16 -2.89 -0.03 0.00 0.35 0.00 0.00 41.96 39.22 1aw7 s TYR 480 CO 0.13 -0.22 -0.01 0.42 -1.34 0.00 0.00 175.55 174.53 1aw7 s ILE 481 N 2.08 4.15 0.08 3.14 -1.09 0.16 -1.40 121.20 128.33 1aw7 s ILE 481 Ca 0.32 -0.28 0.05 0.00 -2.23 0.00 0.00 60.65 58.51 1aw7 s ILE 481 Cb -0.16 -2.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 1aw7 s ILE 481 CO 0.11 0.52 -0.02 -1.00 -1.23 0.00 0.00 174.94 173.32 1aw7 s HIS 482 N 0.01 2.96 -0.32 3.97 3.76 0.05 -2.00 115.29 123.72 1aw7 s HIS 482 Ca 0.02 -0.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.92 1aw7 s HIS 482 Cb -0.13 -1.54 0.10 0.00 1.11 0.00 0.00 32.58 32.12 1aw7 s HIS 482 CO 0.02 0.47 0.05 -0.06 -0.85 0.00 0.00 174.74 174.37 1aw7 s PHE 483 N -1.27 3.05 0.42 1.40 0.08 -1.26 -0.73 117.98 119.67 1aw7 s PHE 483 Ca 0.24 -2.53 0.07 0.00 0.12 0.00 0.00 56.93 54.83 1aw7 s PHE 483 Cb -0.12 -2.46 -0.06 0.00 -0.57 0.00 0.00 43.02 39.81 1aw7 s PHE 483 CO 0.17 -0.92 0.06 -0.65 -0.10 0.00 0.00 175.22 173.78 1aw7 s GLN 484 N 1.15 2.06 -0.04 0.44 -0.21 -0.71 -0.77 119.66 121.58 1aw7 s GLN 484 Ca 0.09 -2.07 0.01 0.00 0.02 0.00 0.00 55.36 53.42 1aw7 s GLN 484 Cb -0.18 -1.73 0.02 0.00 1.00 0.00 0.00 33.01 32.12 1aw7 s GLN 484 CO -0.13 -0.11 -0.05 -1.50 -2.12 0.00 0.00 175.29 171.38 1aw7 s ILE 485 N -2.70 0.56 0.00 1.08 2.07 -0.92 -2.29 121.20 119.01 1aw7 s ILE 485 Ca 0.34 -0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 1aw7 s ILE 485 Cb 0.07 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 42.09 1aw7 s ILE 485 CO 0.18 0.23 0.00 -0.24 -1.91 0.00 0.00 174.94 173.20 1aw7 n SER 486 N 3.98 -2.79 -1.33 4.50 2.88 -0.60 -4.22 113.62 116.04 1aw7 n SER 486 Ca -0.25 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.19 1aw7 n SER 486 Cb 0.51 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.98 1aw7 n SER 486 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1aw7 n GLY 487 N 0.00 0.12 3.29 0.46 0.00 -1.26 -4.68 105.19 103.12 1aw7 n GLY 487 Ca 0.00 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 1aw7 n GLY 487 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aw7 s VAL 488 N -2.71 3.14 0.39 1.61 1.01 -1.26 -1.76 120.40 120.81 1aw7 s VAL 488 Ca 0.10 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1aw7 s VAL 488 Cb -0.04 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1aw7 s VAL 488 CO 0.12 0.45 0.14 0.35 0.00 0.00 0.00 175.10 176.17 1aw7 n THR 489 N 4.59 0.00 -1.93 3.92 -2.24 -0.53 -4.91 114.28 113.19 1aw7 n THR 489 Ca -0.19 -2.29 -0.29 0.00 -2.27 0.00 0.00 64.05 59.02 1aw7 n THR 489 Cb 0.51 0.83 0.08 0.00 -2.10 0.00 0.00 70.33 69.65 1aw7 n THR 489 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1aw7 s ASN 490 N -3.40 4.61 -0.06 3.42 2.20 -1.26 -1.21 114.94 119.24 1aw7 s ASN 490 Ca 0.20 0.78 0.14 0.00 -0.94 0.00 0.00 52.86 53.04 1aw7 s ASN 490 Cb 0.01 -1.31 0.49 0.00 -2.00 0.00 0.00 41.25 38.44 1aw7 s ASN 490 CO 0.14 -1.83 1.37 0.35 -2.94 0.00 0.00 177.10 174.19 1aw7 n THR 491 N -3.26 1.10 -2.09 0.54 -2.24 -1.26 -4.42 114.28 102.64 1aw7 n THR 491 Ca 0.08 -0.78 -0.42 0.00 -2.27 0.00 0.00 64.05 60.66 1aw7 n THR 491 Cb 0.61 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 1aw7 n THR 491 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1aw7 s GLU 492 N -1.62 4.30 0.30 -0.78 2.12 -1.26 -4.97 118.70 116.79 1aw7 s GLU 492 Ca 0.35 2.19 0.07 0.00 0.36 0.00 0.00 54.97 57.94 1aw7 s GLU 492 Cb 0.22 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 1aw7 s GLU 492 CO 0.19 -0.43 0.31 0.15 -0.54 0.00 0.00 175.26 174.95 1aw7 s LYS 493 N 0.46 2.95 0.06 4.30 -0.14 -1.26 -1.76 119.74 124.34 1aw7 s LYS 493 Ca 0.63 -1.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.13 1aw7 s LYS 493 Cb -0.39 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.10 1aw7 s LYS 493 CO 0.35 0.21 0.18 -0.51 -0.76 0.00 0.00 175.35 174.83 1aw7 s LEU 494 N -3.99 4.24 0.21 3.17 1.43 -0.58 -4.59 118.68 118.58 1aw7 s LEU 494 Ca 0.39 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.58 1aw7 s LEU 494 Cb -0.07 -2.83 0.26 0.00 0.03 0.00 0.00 46.19 43.57 1aw7 s LEU 494 CO 0.27 0.18 1.64 -0.65 0.23 0.00 0.00 176.35 178.02 1aw7 h PRO 495 N 3.19 0.04 -4.74 1.29 0.11 -2.01 -3.43 132.00 126.46 1aw7 h PRO 495 Ca -0.46 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.38 1aw7 h PRO 495 Cb 1.16 -0.01 -0.15 0.00 0.11 0.00 0.00 31.00 32.12 1aw7 h PRO 495 CO 0.73 0.03 -0.67 0.95 -0.21 0.00 0.00 178.00 178.83 1aw7 s THR 496 N -6.20 0.62 0.64 -1.15 -4.23 -1.26 -5.15 115.64 98.90 1aw7 s THR 496 Ca -0.14 -1.97 -0.14 0.00 -1.18 0.00 0.00 61.69 58.26 1aw7 s THR 496 Cb 0.19 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.96 1aw7 s THR 496 CO 0.73 -0.53 1.07 -2.16 -0.54 0.00 0.00 174.62 173.20 1aw7 s PRO 497 N -3.92 3.07 0.11 3.99 0.04 -1.26 -4.88 135.00 132.15 1aw7 s PRO 497 Ca 0.22 1.19 0.09 0.00 0.04 0.00 0.00 61.00 62.54 1aw7 s PRO 497 Cb 0.06 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1aw7 s PRO 497 CO 0.03 -1.01 -0.20 0.96 0.04 0.00 0.00 177.00 176.81 1aw7 s ILE 498 N -2.58 2.70 -0.42 0.56 -4.36 -0.13 -4.97 121.20 112.00 1aw7 s ILE 498 Ca 0.63 -1.53 -0.14 0.00 -0.26 0.00 0.00 60.65 59.35 1aw7 s ILE 498 Cb -0.17 -2.22 0.04 0.00 1.25 0.00 0.00 42.46 41.37 1aw7 s ILE 498 CO 0.43 0.12 0.31 -1.61 0.24 0.00 0.00 174.94 174.43 1aw7 s GLU 499 N -2.05 2.92 -0.11 0.37 2.02 -1.26 -1.76 118.70 118.84 1aw7 s GLU 499 Ca 0.17 -1.14 -0.30 0.00 0.02 0.00 0.00 54.97 53.72 1aw7 s GLU 499 Cb -0.10 -3.97 -0.03 0.00 0.10 0.00 0.00 34.13 30.13 1aw7 s GLU 499 CO 0.09 -0.83 1.30 -0.51 0.02 0.00 0.00 175.26 175.33 1aw7 s LEU 500 N 1.63 4.24 -0.79 1.80 1.43 -0.29 -4.96 118.68 121.74 1aw7 s LEU 500 Ca 0.04 1.83 -0.26 0.00 -1.03 0.00 0.00 54.13 54.71 1aw7 s LEU 500 Cb -0.21 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.48 1aw7 s LEU 500 CO 0.08 -0.73 1.59 -2.16 0.23 0.00 0.00 176.35 175.36 1aw7 s PRO 501 N 3.11 3.01 -0.43 1.29 0.04 -1.26 -3.52 135.00 137.25 1aw7 s PRO 501 Ca 0.58 -0.20 -0.21 0.00 0.04 0.00 0.00 61.00 61.21 1aw7 s PRO 501 Cb -0.25 -4.63 0.02 0.00 0.04 0.00 0.00 34.50 29.68 1aw7 s PRO 501 CO 0.19 -2.53 0.66 -1.17 0.04 0.00 0.00 177.00 174.20 1aw7 s LEU 502 N 7.23 4.43 -0.28 -3.56 2.96 -1.25 -3.29 118.68 124.90 1aw7 s LEU 502 Ca 0.52 -0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 54.04 1aw7 s LEU 502 Cb -0.07 -2.77 -0.03 0.00 0.50 0.00 0.00 46.19 43.81 1aw7 s LEU 502 CO 0.09 -0.77 0.40 -0.75 -1.32 0.00 0.00 176.35 173.99 1aw7 s LYS 503 N 2.88 3.94 -0.07 1.98 2.36 -0.82 -4.59 119.74 125.42 1aw7 s LYS 503 Ca 0.24 0.01 0.05 0.00 -2.55 0.00 0.00 55.97 53.72 1aw7 s LYS 503 Cb -0.14 -3.69 -0.01 0.00 -1.05 0.00 0.00 37.83 32.94 1aw7 s LYS 503 CO 0.19 -0.35 -0.23 0.08 1.55 0.00 0.00 175.35 176.60 1aw7 s VAL 504 N 2.12 2.26 -0.09 4.02 1.01 -1.26 -0.26 120.40 128.20 1aw7 s VAL 504 Ca 0.16 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1aw7 s VAL 504 Cb -0.16 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1aw7 s VAL 504 CO 0.10 0.57 -0.21 -0.54 0.00 0.00 0.00 175.10 175.02 1aw7 s LYS 505 N -0.16 2.95 -0.22 2.72 1.02 -0.45 0.16 119.74 125.76 1aw7 s LYS 505 Ca -0.03 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.14 1aw7 s LYS 505 Cb -0.14 -2.35 0.03 0.00 -0.52 0.00 0.00 37.83 34.86 1aw7 s LYS 505 CO 0.04 0.28 -0.14 0.08 -0.92 0.00 0.00 175.35 174.68 1aw7 s VAL 506 N 0.13 2.31 -1.20 3.17 1.01 -0.02 -0.95 120.40 124.85 1aw7 s VAL 506 Ca -0.11 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 60.60 1aw7 s VAL 506 Cb -0.16 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1aw7 s VAL 506 CO 0.06 0.30 0.73 1.41 0.00 0.00 0.00 175.10 177.60 1aw7 n HIS 507 N 4.58 -1.92 0.00 5.22 8.25 -0.56 -1.00 115.22 129.78 1aw7 n HIS 507 Ca -0.18 0.61 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 1aw7 n HIS 507 Cb 0.47 -3.73 0.00 0.00 1.12 0.00 0.00 29.99 27.85 1aw7 n HIS 507 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aw7 n GLY 508 N -1.66 1.80 3.81 -1.41 0.00 -1.26 -4.99 105.19 101.48 1aw7 n GLY 508 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1aw7 n GLY 508 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aw7 s LYS 509 N 0.00 3.88 0.29 1.61 1.02 -0.17 -5.04 119.74 121.33 1aw7 s LYS 509 Ca 0.00 0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.74 1aw7 s LYS 509 Cb 0.00 -3.30 -0.11 0.00 -0.52 0.00 0.00 37.83 33.90 1aw7 s LYS 509 CO 0.00 0.54 1.54 -0.51 -0.92 0.00 0.00 175.35 176.00 1aw7 s ASP 510 N -0.42 6.45 0.15 2.83 1.01 -1.26 -0.84 116.67 124.59 1aw7 s ASP 510 Ca 0.16 2.88 -0.28 0.00 0.71 0.00 0.00 52.55 56.02 1aw7 s ASP 510 Cb -0.13 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.09 1aw7 s ASP 510 CO 0.05 -0.85 0.89 -0.55 0.21 0.00 0.00 175.17 174.92 1aw7 s SER 511 N 0.41 7.48 -0.02 0.27 0.15 0.12 -4.85 113.70 117.26 1aw7 s SER 511 Ca 0.61 1.76 -0.25 0.00 0.70 0.00 0.00 55.95 58.77 1aw7 s SER 511 Cb -0.46 -2.56 -0.20 0.00 -1.71 0.00 0.00 66.02 61.09 1aw7 s SER 511 CO 0.48 0.07 1.26 -0.65 1.20 0.00 0.00 173.24 175.59 1aw7 h PRO 512 N 4.91 0.05 -6.37 5.44 0.11 -1.92 -3.45 132.00 130.76 1aw7 h PRO 512 Ca -0.45 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 65.01 1aw7 h PRO 512 Cb 1.21 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.36 1aw7 h PRO 512 CO 0.69 0.54 0.83 1.28 -0.21 0.00 0.00 178.00 181.13 1aw7 n LEU 513 N -4.80 2.87 -4.27 2.35 4.77 -1.26 -4.98 117.00 111.67 1aw7 n LEU 513 Ca -0.08 1.06 -0.33 0.00 -0.03 0.00 0.00 56.01 56.62 1aw7 n LEU 513 Cb 0.28 -1.34 -0.15 0.00 -2.33 0.00 0.00 43.42 39.87 1aw7 n LEU 513 CO 0.34 -0.37 -0.47 -0.54 -1.33 0.00 0.00 177.39 175.03 1aw7 s LYS 514 N 1.92 3.24 -0.18 3.23 3.01 -1.26 -4.90 119.74 124.79 1aw7 s LYS 514 Ca 0.85 -0.73 0.01 0.00 -1.01 0.00 0.00 55.97 55.09 1aw7 s LYS 514 Cb -0.77 -2.68 0.02 0.00 -1.01 0.00 0.00 37.83 33.39 1aw7 s LYS 514 CO 0.46 -0.02 -0.19 -0.47 0.51 0.00 0.00 175.35 175.64 1aw7 s TYR 515 N 0.91 2.73 -0.44 3.18 5.04 -1.26 -5.08 117.35 122.42 1aw7 s TYR 515 Ca -0.03 -1.62 0.01 0.00 -2.44 0.00 0.00 57.07 52.99 1aw7 s TYR 515 Cb -0.15 -1.88 0.12 0.00 0.35 0.00 0.00 41.96 40.40 1aw7 s TYR 515 CO -0.01 -0.80 0.20 -1.58 -1.34 0.00 0.00 175.55 172.02 1aw7 s TRP 516 N 1.31 3.54 0.08 4.97 0.51 -1.26 -3.95 118.94 124.13 1aw7 s TRP 516 Ca 0.05 -2.82 -0.36 0.00 -2.12 0.00 0.00 56.10 50.84 1aw7 s TRP 516 Cb -0.13 -3.04 -0.16 0.00 -0.81 0.00 0.00 33.47 29.33 1aw7 s TRP 516 CO -0.12 -0.90 1.47 -2.30 -0.51 0.00 0.00 176.95 174.58 1aw7 n PRO 517 N 3.99 1.51 -3.72 4.98 -0.02 -1.23 -4.63 135.00 135.88 1aw7 n PRO 517 Ca 0.03 0.55 -0.38 0.00 -2.02 0.00 0.00 63.50 61.67 1aw7 n PRO 517 Cb 0.39 -2.24 -0.12 0.00 -0.02 0.00 0.00 33.50 31.51 1aw7 n PRO 517 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1aw7 s LYS 518 N 0.98 2.87 0.11 -0.52 2.20 -1.26 -1.14 119.74 122.99 1aw7 s LYS 518 Ca 0.84 -1.02 0.10 0.00 -0.36 0.00 0.00 55.97 55.53 1aw7 s LYS 518 Cb -0.86 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 31.93 1aw7 s LYS 518 CO 0.45 -0.58 -0.24 -0.06 -0.36 0.00 0.00 175.35 174.56 1aw7 s PHE 519 N 1.48 2.38 0.00 4.03 0.08 -0.72 -4.95 117.98 120.28 1aw7 s PHE 519 Ca 0.01 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.71 1aw7 s PHE 519 Cb -0.18 -1.30 0.00 0.00 -0.57 0.00 0.00 43.02 40.96 1aw7 s PHE 519 CO 0.04 0.32 0.97 -0.40 -0.10 0.00 0.00 175.22 176.05 1aw7 n ASP 520 N 1.03 1.90 -4.86 1.36 5.75 -1.26 -0.96 116.55 119.52 1aw7 n ASP 520 Ca -0.17 -1.95 -0.36 0.00 -0.01 0.00 0.00 54.79 52.30 1aw7 n ASP 520 Cb 0.53 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.56 1aw7 n ASP 520 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1aw7 s LYS 521 N -0.95 3.76 0.16 0.11 1.02 -1.26 -1.53 119.74 121.06 1aw7 s LYS 521 Ca 0.00 0.20 -0.11 0.00 0.02 0.00 0.00 55.97 56.08 1aw7 s LYS 521 Cb 0.00 -3.13 0.05 0.00 -0.52 0.00 0.00 37.83 34.23 1aw7 s LYS 521 CO 0.00 0.66 1.64 -0.22 -0.92 0.00 0.00 175.35 176.51 1aw7 h LYS 522 N 4.33 0.94 -5.93 1.68 1.63 -1.59 -3.43 116.57 114.20 1aw7 h LYS 522 Ca -0.51 -0.27 -0.54 0.00 -0.85 0.00 0.00 60.65 58.48 1aw7 h LYS 522 Cb 1.21 -0.10 -0.24 0.00 -0.60 0.00 0.00 32.23 32.49 1aw7 h LYS 522 CO 0.63 0.92 -0.83 1.14 -3.45 0.00 0.00 179.45 177.86 1aw7 s GLN 523 N -5.14 1.22 -0.00 1.90 -2.07 -1.26 -0.60 119.66 113.71 1aw7 s GLN 523 Ca -0.12 -0.95 0.01 0.00 -1.82 0.00 0.00 55.36 52.47 1aw7 s GLN 523 Cb 0.12 -1.34 -0.00 0.00 -1.09 0.00 0.00 33.01 30.70 1aw7 s GLN 523 CO 0.83 0.33 -0.04 -0.51 -1.32 0.00 0.00 175.29 174.58 1aw7 s LEU 524 N -1.35 1.99 0.43 2.60 1.43 -0.68 -4.89 118.68 118.21 1aw7 s LEU 524 Ca 0.06 -0.06 -0.25 0.00 -1.03 0.00 0.00 54.13 52.84 1aw7 s LEU 524 Cb -0.09 -0.19 -0.08 0.00 0.03 0.00 0.00 46.19 45.86 1aw7 s LEU 524 CO 0.02 0.04 1.29 0.00 0.23 0.00 0.00 176.35 177.93 1aw7 s ALA 525 N -0.06 3.16 0.34 4.21 0.00 -1.26 -1.41 121.76 126.74 1aw7 s ALA 525 Ca 0.01 1.20 0.06 0.00 0.00 0.00 0.00 51.96 53.24 1aw7 s ALA 525 Cb -0.02 -3.48 0.73 0.00 0.00 0.00 0.00 23.12 20.35 1aw7 s ALA 525 CO -0.00 -0.88 1.89 0.82 0.00 0.00 0.00 175.76 177.59 1aw7 h ILE 526 N 2.23 0.91 -0.01 0.00 2.04 -1.84 -1.95 117.51 118.90 1aw7 h ILE 526 Ca -0.50 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 1aw7 h ILE 526 Cb 1.25 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1aw7 h ILE 526 CO 0.61 0.14 -0.24 0.77 0.00 0.00 0.00 178.15 179.44 1aw7 h SER 527 N 0.79 0.01 0.23 1.72 4.64 -1.92 -1.19 113.55 117.83 1aw7 h SER 527 Ca 0.42 -0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.48 1aw7 h SER 527 Cb 0.53 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1aw7 h SER 527 CO -0.18 0.26 -1.06 0.74 -0.87 0.00 0.00 176.83 175.71 1aw7 h THR 528 N 0.01 1.35 -0.48 2.95 2.02 -1.63 -2.47 112.91 114.66 1aw7 h THR 528 Ca 0.00 -2.45 -0.12 0.00 0.77 0.00 0.00 66.41 64.62 1aw7 h THR 528 Cb 0.43 2.51 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 1aw7 h THR 528 CO 0.03 0.74 -0.16 -0.07 0.37 0.00 0.00 175.52 176.43 1aw7 h LEU 529 N 0.27 0.95 0.16 2.58 3.38 -0.94 -2.22 115.31 119.49 1aw7 h LEU 529 Ca -0.12 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.53 1aw7 h LEU 529 Cb 1.72 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 1aw7 h LEU 529 CO 0.19 1.09 -0.24 -0.78 0.09 0.00 0.00 178.44 178.79 1aw7 h ASP 530 N 0.83 -0.67 -0.42 -0.43 3.58 -1.22 -0.77 116.42 117.32 1aw7 h ASP 530 Ca 0.12 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.66 1aw7 h ASP 530 Cb 0.71 0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 1aw7 h ASP 530 CO 0.05 -0.34 0.28 2.19 -2.88 0.00 0.00 179.24 178.55 1aw7 h PHE 531 N -0.47 0.51 -0.14 0.28 -5.15 -1.29 -0.25 116.94 110.43 1aw7 h PHE 531 Ca 0.02 0.01 -0.21 0.00 -0.20 0.00 0.00 57.97 57.59 1aw7 h PHE 531 Cb 0.47 -0.17 0.00 0.00 0.22 0.00 0.00 35.95 36.47 1aw7 h PHE 531 CO -0.20 0.32 -0.75 0.93 -2.00 0.00 0.00 178.31 176.61 1aw7 h GLU 532 N 0.54 0.67 -0.11 6.09 4.39 -1.15 -1.06 114.58 123.96 1aw7 h GLU 532 Ca 0.16 -0.54 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 1aw7 h GLU 532 Cb -0.02 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1aw7 h GLU 532 CO -0.04 1.16 -0.03 0.82 -1.16 0.00 0.00 179.01 179.76 1aw7 h ILE 533 N 0.47 1.29 -0.47 3.13 2.04 -0.63 -2.90 117.51 120.44 1aw7 h ILE 533 Ca -0.04 -0.96 -0.11 0.00 1.00 0.00 0.00 64.86 64.75 1aw7 h ILE 533 Cb 1.36 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1aw7 h ILE 533 CO 0.15 0.27 -0.13 0.03 0.00 0.00 0.00 178.15 178.47 1aw7 h ARG 534 N -0.11 0.91 -0.59 2.37 3.08 -1.07 -1.02 114.38 117.95 1aw7 h ARG 534 Ca 0.03 -0.36 0.07 0.00 0.07 0.00 0.00 59.98 59.79 1aw7 h ARG 534 Cb 0.44 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 1aw7 h ARG 534 CO 0.01 1.01 0.26 1.25 -1.07 0.00 0.00 179.97 181.43 1aw7 h HIS 535 N 0.75 0.48 -0.27 3.04 2.76 -1.29 0.74 115.15 121.36 1aw7 h HIS 535 Ca 0.12 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 1aw7 h HIS 535 Cb 0.68 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1aw7 h HIS 535 CO 0.05 0.18 -0.05 0.00 -1.30 0.00 0.00 177.93 176.81 1aw7 h ALA 536 N 1.36 0.38 -0.59 5.26 0.00 -1.11 -1.97 119.26 122.58 1aw7 h ALA 536 Ca 0.28 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1aw7 h ALA 536 Cb 0.27 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1aw7 h ALA 536 CO -0.23 0.18 0.38 -0.07 0.00 0.00 0.00 179.25 179.50 1aw7 h LEU 537 N 0.28 0.63 -0.29 0.00 3.38 0.23 0.84 115.31 120.39 1aw7 h LEU 537 Ca 0.07 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1aw7 h LEU 537 Cb 0.52 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1aw7 h LEU 537 CO 0.02 0.45 -0.44 0.71 0.09 0.00 0.00 178.44 179.27 1aw7 h THR 538 N 0.76 1.29 -0.05 0.22 1.35 -0.95 -1.27 112.91 114.26 1aw7 h THR 538 Ca 0.23 -1.63 -0.25 0.00 -0.55 0.00 0.00 66.41 64.20 1aw7 h THR 538 Cb -0.04 1.63 0.02 0.00 -1.73 0.00 0.00 68.15 68.03 1aw7 h THR 538 CO -0.07 0.53 -0.96 -0.61 -0.25 0.00 0.00 175.52 174.16 1aw7 h GLN 539 N 0.57 0.74 0.03 4.72 4.15 -1.30 -3.04 115.11 120.99 1aw7 h GLN 539 Ca 0.03 -0.73 -0.38 0.00 0.77 0.00 0.00 58.65 58.34 1aw7 h GLN 539 Cb 1.04 0.19 -0.05 0.00 0.21 0.00 0.00 27.48 28.87 1aw7 h GLN 539 CO 0.10 1.31 -2.23 -0.89 -1.93 0.00 0.00 178.83 175.20 1aw7 n ILE 540 N -3.88 1.58 1.11 2.39 5.41 0.28 -4.57 119.36 121.69 1aw7 n ILE 540 Ca -0.10 -0.50 0.12 0.00 1.00 0.00 0.00 62.75 63.28 1aw7 n ILE 540 Cb 0.84 -1.66 0.19 0.00 -0.71 0.00 0.00 39.64 38.30 1aw7 n ILE 540 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1aw7 n HIS 541 N -3.64 0.00 -0.81 1.39 8.25 -0.53 -4.98 115.22 114.89 1aw7 n HIS 541 Ca -0.42 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 1aw7 n HIS 541 Cb 0.95 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.06 1aw7 n HIS 541 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aw7 n GLY 542 N 1.31 0.66 3.56 -1.41 0.00 -0.90 -4.94 105.19 103.46 1aw7 n GLY 542 Ca 0.15 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.70 1aw7 n GLY 542 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1aw7 n LEU 543 N 0.00 1.21 0.00 0.99 7.94 -0.99 -0.61 117.00 125.54 1aw7 n LEU 543 Ca 0.00 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.06 1aw7 n LEU 543 Cb 0.00 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 42.74 1aw7 n LEU 543 CO 0.00 -1.62 0.00 -1.22 -1.11 0.00 0.00 177.39 173.44 1aw7 n TYR 544 N 0.64 0.00 1.07 1.96 4.01 0.11 -4.41 117.16 120.55 1aw7 n TYR 544 Ca 0.13 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.98 1aw7 n TYR 544 Cb 0.28 -1.29 0.11 0.00 -0.31 0.00 0.00 39.34 38.13 1aw7 n TYR 544 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1aw7 n ARG 545 N -1.22 0.83 -3.54 -0.72 1.74 0.22 -4.86 116.66 109.10 1aw7 n ARG 545 Ca 0.00 -0.62 -0.12 0.00 -0.77 0.00 0.00 57.85 56.34 1aw7 n ARG 545 Cb 0.14 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.06 1aw7 n ARG 545 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1aw7 s SER 546 N -2.60 -0.39 0.32 0.55 1.04 -1.26 -5.00 113.70 106.36 1aw7 s SER 546 Ca 0.18 -0.13 0.25 0.00 0.48 0.00 0.00 55.95 56.73 1aw7 s SER 546 Cb 0.18 0.52 1.14 0.00 0.10 0.00 0.00 66.02 67.96 1aw7 s SER 546 CO 0.61 -0.88 1.75 0.77 0.98 0.00 0.00 173.24 176.48 1aw7 h SER 547 N 2.28 0.00 -0.03 7.02 4.64 -1.94 -2.20 113.55 123.32 1aw7 h SER 547 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1aw7 h SER 547 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1aw7 h SER 547 CO 0.43 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.49 1aw7 n ASP 548 N -2.37 1.62 -3.23 4.97 5.75 -1.26 -4.45 116.55 117.57 1aw7 n ASP 548 Ca 0.01 -1.55 -0.24 0.00 -0.01 0.00 0.00 54.79 53.00 1aw7 n ASP 548 Cb 0.18 -0.01 -0.07 0.00 -1.03 0.00 0.00 41.12 40.19 1aw7 n ASP 548 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1aw7 n LYS 549 N 0.27 1.36 0.00 0.11 5.02 -0.83 -4.64 118.16 119.45 1aw7 n LYS 549 Ca 0.18 -3.71 0.00 0.00 -2.02 0.00 0.00 58.31 52.76 1aw7 n LYS 549 Cb 0.37 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1aw7 n LYS 549 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1aw7 n THR 550 N 1.02 0.03 -2.55 -0.18 -2.24 -1.08 0.09 114.28 109.37 1aw7 n THR 550 Ca 0.24 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1aw7 n THR 550 Cb 0.51 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 1aw7 n THR 550 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aw7 n GLY 551 N -0.02 3.39 0.00 3.38 0.00 -1.11 -4.18 105.19 106.66 1aw7 n GLY 551 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1aw7 n GLY 551 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aw7 n GLY 552 N 0.00 0.24 3.60 -0.02 0.00 -1.26 -1.54 105.19 106.21 1aw7 n GLY 552 Ca 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 46.02 44.13 1aw7 n GLY 552 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1aw7 s TYR 553 N 0.00 -0.13 0.15 1.61 -0.85 -0.61 -1.21 117.35 116.31 1aw7 s TYR 553 Ca 0.00 0.03 0.11 0.00 -0.52 0.00 0.00 57.07 56.69 1aw7 s TYR 553 Cb 0.00 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1aw7 s TYR 553 CO 0.00 -0.32 -0.26 1.67 -1.52 0.00 0.00 175.55 175.13 1aw7 s TRP 554 N -2.58 2.32 -0.04 -3.49 1.48 -0.95 -0.71 118.94 114.98 1aw7 s TRP 554 Ca 0.10 -0.37 -0.02 0.00 -1.06 0.00 0.00 56.10 54.76 1aw7 s TRP 554 Cb 0.01 -1.22 0.03 0.00 -1.16 0.00 0.00 33.47 31.12 1aw7 s TRP 554 CO -0.04 0.39 0.09 0.21 -4.06 0.00 0.00 176.95 173.53 1aw7 s LYS 555 N -2.25 0.04 -0.12 3.25 2.20 -0.15 -1.77 119.74 120.94 1aw7 s LYS 555 Ca 0.16 0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 56.00 1aw7 s LYS 555 Cb -0.09 -0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.04 1aw7 s LYS 555 CO 0.07 -0.13 -0.05 0.42 -0.36 0.00 0.00 175.35 175.30 1aw7 s ILE 556 N 0.88 3.81 -0.16 5.43 1.01 0.51 -1.59 121.20 131.08 1aw7 s ILE 556 Ca -0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 1aw7 s ILE 556 Cb -0.10 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 1aw7 s ILE 556 CO -0.04 0.54 -0.11 -0.89 0.00 0.00 0.00 174.94 174.44 1aw7 s THR 557 N -0.08 3.11 0.64 2.92 2.01 -0.31 -1.41 115.64 122.53 1aw7 s THR 557 Ca 0.01 -0.62 -0.09 0.00 0.31 0.00 0.00 61.69 61.31 1aw7 s THR 557 Cb -0.13 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.05 1aw7 s THR 557 CO 0.03 0.49 0.99 -0.04 -0.69 0.00 0.00 174.62 175.41 1aw7 s MET 558 N 0.75 2.90 0.23 4.92 -1.94 -0.20 -0.30 119.30 125.66 1aw7 s MET 558 Ca -0.05 0.23 -0.07 0.00 -1.71 0.00 0.00 55.69 54.09 1aw7 s MET 558 Cb -0.15 -2.15 0.22 0.00 2.01 0.00 0.00 34.83 34.75 1aw7 s MET 558 CO 0.02 -0.85 1.88 -0.91 -0.01 0.00 0.00 175.02 175.15 1aw7 h ASN 559 N -0.40 1.09 0.22 3.03 2.35 -0.79 -2.26 115.58 118.82 1aw7 h ASN 559 Ca -0.45 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 1aw7 h ASN 559 Cb 1.25 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1aw7 h ASN 559 CO 0.62 0.83 0.00 -0.90 -1.65 0.00 0.00 177.43 176.34 1aw7 n ASP 560 N -4.39 0.00 0.00 5.81 5.68 -1.26 -4.91 116.55 117.48 1aw7 n ASP 560 Ca 0.10 -0.38 0.00 0.00 -0.50 0.00 0.00 54.79 54.01 1aw7 n ASP 560 Cb 0.05 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1aw7 n ASP 560 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aw7 n GLY 561 N 0.58 2.99 3.64 6.12 0.00 -0.85 -5.07 105.19 112.59 1aw7 n GLY 561 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1aw7 n GLY 561 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aw7 s SER 562 N -1.18 2.65 0.04 1.61 1.04 -1.26 -4.69 113.70 111.91 1aw7 s SER 562 Ca 0.00 1.87 -0.02 0.00 0.48 0.00 0.00 55.95 58.28 1aw7 s SER 562 Cb 0.00 -2.43 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 1aw7 s SER 562 CO 0.00 -3.22 0.01 0.42 0.98 0.00 0.00 173.24 171.43 1aw7 s THR 563 N -2.67 0.17 0.03 2.02 -4.23 -1.26 -1.04 115.64 108.66 1aw7 s THR 563 Ca 0.66 -1.39 0.04 0.00 -1.18 0.00 0.00 61.69 59.83 1aw7 s THR 563 Cb -0.22 -1.04 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 1aw7 s THR 563 CO 0.59 -0.76 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.47 1aw7 s TYR 564 N -2.99 1.17 0.06 3.99 1.51 -0.50 -4.97 117.35 115.62 1aw7 s TYR 564 Ca -0.02 -0.32 -0.13 0.00 -1.01 0.00 0.00 57.07 55.60 1aw7 s TYR 564 Cb 0.01 -0.71 0.02 0.00 -0.11 0.00 0.00 41.96 41.17 1aw7 s TYR 564 CO -0.06 0.02 0.29 1.14 -1.11 0.00 0.00 175.55 175.82 1aw7 s GLN 565 N -0.92 0.83 0.00 -0.62 -2.07 -1.26 -0.37 119.66 115.26 1aw7 s GLN 565 Ca 0.02 -0.60 -0.02 0.00 -1.82 0.00 0.00 55.36 52.94 1aw7 s GLN 565 Cb -0.07 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.20 1aw7 s GLN 565 CO 0.01 -0.27 0.04 0.45 -1.32 0.00 0.00 175.29 174.19 1aw7 s SER 566 N -2.25 0.09 -0.38 12.60 0.15 -0.73 -4.99 113.70 118.19 1aw7 s SER 566 Ca -0.03 -0.24 -0.26 0.00 0.70 0.00 0.00 55.95 56.13 1aw7 s SER 566 Cb 0.00 0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1aw7 s SER 566 CO -0.05 -0.23 0.92 -0.62 1.20 0.00 0.00 173.24 174.46 1aw7 s ASP 567 N -0.97 6.65 0.62 5.45 -1.08 -1.26 -2.23 116.67 123.84 1aw7 s ASP 567 Ca -0.11 0.52 0.36 0.00 -0.52 0.00 0.00 52.55 52.81 1aw7 s ASP 567 Cb -0.06 -2.46 2.04 0.00 -1.46 0.00 0.00 42.92 40.97 1aw7 s ASP 567 CO -0.00 -0.87 2.28 -0.07 0.52 0.00 0.00 175.17 177.02 1aw7 h LEU 568 N 10.11 0.00 0.00 -1.34 3.38 -1.49 -2.74 115.31 123.23 1aw7 h LEU 568 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1aw7 h LEU 568 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1aw7 h LEU 568 CO 0.98 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.99 1aw7 n SER 569 N -3.44 0.00 -4.26 -0.43 3.41 -1.26 -4.76 113.62 102.87 1aw7 n SER 569 Ca -0.03 -0.22 -0.15 0.00 -0.26 0.00 0.00 58.87 58.22 1aw7 n SER 569 Cb 0.11 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 63.72 1aw7 n SER 569 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1aw7 s LYS 570 N -2.48 1.10 0.62 4.33 1.02 -1.03 -5.02 119.74 118.29 1aw7 s LYS 570 Ca 0.28 -1.48 -0.18 0.00 0.02 0.00 0.00 55.97 54.61 1aw7 s LYS 570 Cb 0.18 -0.68 -0.02 0.00 -0.52 0.00 0.00 37.83 36.79 1aw7 s LYS 570 CO 0.40 0.08 1.25 0.21 -0.92 0.00 0.00 175.35 176.37 1aw7 s LYS 571 N -3.74 2.74 0.27 1.68 2.20 -1.26 -4.84 119.74 116.78 1aw7 s LYS 571 Ca 0.18 1.94 -0.30 0.00 -0.36 0.00 0.00 55.97 57.43 1aw7 s LYS 571 Cb 0.02 -1.88 -0.14 0.00 -1.51 0.00 0.00 37.83 34.32 1aw7 s LYS 571 CO 0.02 -1.42 1.25 0.34 -0.36 0.00 0.00 175.35 175.17 1aw7 n PHE 572 N -1.79 1.85 -2.67 4.03 7.35 -1.26 -4.90 117.46 120.08 1aw7 n PHE 572 Ca 0.15 0.56 -0.42 0.00 -0.76 0.00 0.00 57.45 56.98 1aw7 n PHE 572 Cb 0.49 -2.37 -0.03 0.00 0.35 0.00 0.00 39.48 37.92 1aw7 n PHE 572 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1aw7 s GLU 573 N -1.04 3.62 0.09 -4.13 0.41 -1.26 -4.83 118.70 111.55 1aw7 s GLU 573 Ca 0.63 -1.36 -0.15 0.00 -0.41 0.00 0.00 54.97 53.68 1aw7 s GLU 573 Cb -0.67 -5.24 -0.11 0.00 -1.78 0.00 0.00 34.13 26.32 1aw7 s GLU 573 CO 0.56 -2.09 1.37 1.88 -0.49 0.00 0.00 175.26 176.49 1aw7 h TYR 574 N 9.40 0.82 0.00 1.61 0.05 -2.00 -3.04 116.97 123.81 1aw7 h TYR 574 Ca 0.20 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1aw7 h TYR 574 Cb 1.01 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.59 1aw7 h TYR 574 CO 1.25 1.04 0.13 -0.91 -1.05 0.00 0.00 178.16 178.61 1aw7 h ASN 575 N 0.37 0.00 0.00 3.88 -0.26 -1.88 -1.75 115.58 115.94 1aw7 h ASN 575 Ca 0.02 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.72 1aw7 h ASN 575 Cb 0.96 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 38.14 1aw7 h ASN 575 CO 0.08 0.00 -0.47 0.35 -1.06 0.00 0.00 177.43 176.33 1aw7 n THR 576 N -2.47 1.31 -1.99 2.81 -2.24 -1.15 -4.26 114.28 106.29 1aw7 n THR 576 Ca -0.02 -1.99 -0.42 0.00 -2.27 0.00 0.00 64.05 59.35 1aw7 n THR 576 Cb 0.16 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 1aw7 n THR 576 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1aw7 s GLU 577 N -1.95 4.23 0.70 -0.78 2.12 -0.66 -4.93 118.70 117.44 1aw7 s GLU 577 Ca 0.29 2.29 -0.11 0.00 0.36 0.00 0.00 54.97 57.80 1aw7 s GLU 577 Cb 0.29 -3.25 0.01 0.00 0.26 0.00 0.00 34.13 31.44 1aw7 s GLU 577 CO -0.05 -0.59 1.08 0.15 -0.54 0.00 0.00 175.26 175.30 1aw7 s LYS 578 N 1.39 2.93 0.86 4.30 -0.14 -1.26 -3.69 119.74 124.13 1aw7 s LYS 578 Ca 0.69 0.63 -0.12 0.00 -1.36 0.00 0.00 55.97 55.81 1aw7 s LYS 578 Cb -0.41 -2.02 0.11 0.00 -1.68 0.00 0.00 37.83 33.83 1aw7 s LYS 578 CO 0.31 -1.02 1.16 -0.35 -0.76 0.00 0.00 175.35 174.69 1aw7 n PRO 579 N -3.03 -0.11 -1.33 -1.68 -0.04 -1.24 -4.55 135.00 123.02 1aw7 n PRO 579 Ca 0.07 0.04 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 1aw7 n PRO 579 Cb 0.56 -2.40 0.08 0.00 -0.04 0.00 0.00 33.50 31.70 1aw7 n PRO 579 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1aw7 n PRO 580 N -3.68 0.45 -4.43 0.54 -0.02 -1.26 -4.69 135.00 121.91 1aw7 n PRO 580 Ca 0.13 0.21 -0.26 0.00 -2.02 0.00 0.00 63.50 61.55 1aw7 n PRO 580 Cb 0.51 -2.13 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 1aw7 n PRO 580 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1aw7 s ILE 581 N -1.84 2.20 -0.21 4.25 -4.36 -0.50 -4.91 121.20 115.83 1aw7 s ILE 581 Ca 0.71 -1.93 -0.17 0.00 -0.26 0.00 0.00 60.65 59.01 1aw7 s ILE 581 Cb -0.35 -2.94 -0.04 0.00 1.25 0.00 0.00 42.46 40.39 1aw7 s ILE 581 CO 0.52 -0.05 0.45 0.20 0.24 0.00 0.00 174.94 176.30 1aw7 s ASN 582 N -3.76 6.48 0.26 4.36 0.01 -1.26 -1.68 114.94 119.35 1aw7 s ASN 582 Ca 0.36 0.56 0.25 0.00 -0.71 0.00 0.00 52.86 53.33 1aw7 s ASN 582 Cb 0.06 -2.25 0.95 0.00 0.41 0.00 0.00 41.25 40.42 1aw7 s ASN 582 CO 0.19 -0.13 1.74 2.30 -1.51 0.00 0.00 177.10 179.70 1aw7 n ILE 583 N 4.47 0.77 1.75 0.60 -5.35 0.23 -1.20 119.36 120.63 1aw7 n ILE 583 Ca -0.07 0.09 0.15 0.00 -0.27 0.00 0.00 62.75 62.66 1aw7 n ILE 583 Cb 0.51 -1.02 0.80 0.00 -1.74 0.00 0.00 39.64 38.18 1aw7 n ILE 583 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1aw7 n ASP 584 N -2.29 0.34 -1.19 7.28 5.68 -1.26 -3.09 116.55 122.03 1aw7 n ASP 584 Ca 0.03 -0.93 0.09 0.00 -0.50 0.00 0.00 54.79 53.48 1aw7 n ASP 584 Cb 0.28 -0.04 0.28 0.00 -1.14 0.00 0.00 41.12 40.50 1aw7 n ASP 584 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1aw7 n GLU 585 N -0.81 3.23 -3.11 0.11 1.02 -0.34 -4.95 120.64 115.78 1aw7 n GLU 585 Ca 0.21 -2.62 -0.40 0.00 -0.02 0.00 0.00 57.16 54.33 1aw7 n GLU 585 Cb 0.20 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 29.90 1aw7 n GLU 585 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1aw7 s ILE 586 N -1.62 5.02 -0.11 -3.67 1.01 -1.18 -0.05 121.20 120.61 1aw7 s ILE 586 Ca 0.42 1.22 -0.03 0.00 0.00 0.00 0.00 60.65 62.26 1aw7 s ILE 586 Cb 0.26 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 1aw7 s ILE 586 CO 0.21 0.13 -0.06 0.50 0.00 0.00 0.00 174.94 175.73 1aw7 h LYS 587 N 7.36 0.00 -4.01 2.79 3.64 -0.87 -3.45 116.57 122.03 1aw7 h LYS 587 Ca -0.33 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.81 1aw7 h LYS 587 Cb 1.15 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.71 1aw7 h LYS 587 CO 0.77 0.00 -0.73 0.95 -2.27 0.00 0.00 179.45 178.18 1aw7 s THR 588 N -1.76 0.18 -0.10 1.00 -4.23 -1.08 -4.91 115.64 104.74 1aw7 s THR 588 Ca -0.05 -0.36 0.03 0.00 -1.18 0.00 0.00 61.69 60.13 1aw7 s THR 588 Cb 0.01 -0.21 -0.01 0.00 1.34 0.00 0.00 72.50 73.63 1aw7 s THR 588 CO 0.07 -0.12 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.21 1aw7 s ILE 589 N -0.48 2.52 -0.00 2.99 1.01 -1.21 -1.17 121.20 124.86 1aw7 s ILE 589 Ca -0.04 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 1aw7 s ILE 589 Cb -0.04 -2.00 -0.00 0.00 0.01 0.00 0.00 42.46 40.43 1aw7 s ILE 589 CO -0.00 0.55 0.06 -1.83 0.00 0.00 0.00 174.94 173.72 1aw7 s GLU 590 N 0.14 0.31 0.05 2.79 -1.05 -0.62 -1.94 118.70 118.37 1aw7 s GLU 590 Ca -0.10 -0.32 0.04 0.00 -0.15 0.00 0.00 54.97 54.43 1aw7 s GLU 590 Cb -0.16 0.12 -0.02 0.00 -0.44 0.00 0.00 34.13 33.63 1aw7 s GLU 590 CO 0.06 -0.06 -0.11 0.00 0.95 0.00 0.00 175.26 176.10 1aw7 s ALA 591 N -0.99 0.90 -0.09 -0.84 0.00 0.64 -0.98 121.76 120.40 1aw7 s ALA 591 Ca -0.11 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 1aw7 s ALA 591 Cb -0.06 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1aw7 s ALA 591 CO 0.00 0.11 -0.06 -1.21 0.00 0.00 0.00 175.76 174.60 1aw7 s GLU 592 N -1.42 1.21 -0.15 0.00 2.02 0.12 -1.34 118.70 119.14 1aw7 s GLU 592 Ca -0.04 -0.16 -0.06 0.00 0.02 0.00 0.00 54.97 54.73 1aw7 s GLU 592 Cb -0.09 -1.29 -0.04 0.00 0.10 0.00 0.00 34.13 32.81 1aw7 s GLU 592 CO 0.01 -0.21 0.05 0.42 0.02 0.00 0.00 175.26 175.55 1aw7 s ILE 593 N 1.52 4.72 0.00 -1.63 1.01 -0.12 -1.57 121.20 125.13 1aw7 s ILE 593 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1aw7 s ILE 593 Cb -0.13 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1aw7 s ILE 593 CO -0.05 0.51 0.34 0.59 0.00 0.00 0.00 174.94 176.34