#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3maa n MET 377 N 0.00 3.08 0.00 -1.24 1.56 -1.26 -4.94 117.12 114.32 3maa n MET 377 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 3maa n MET 377 Cb 0.00 -0.65 0.00 0.00 2.15 0.00 0.00 33.22 34.72 3maa n MET 377 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 3maa n MET 378 N -0.93 0.79 -3.90 2.12 2.81 -1.26 -5.03 117.12 111.73 3maa n MET 378 Ca 0.00 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.56 3maa n MET 378 Cb 0.00 -0.70 -0.05 0.00 -0.71 0.00 0.00 33.22 31.76 3maa n MET 378 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3maa s PHE 379 N -1.39 3.55 0.41 2.03 0.40 -1.26 -5.09 117.98 116.62 3maa s PHE 379 Ca 0.00 0.37 -0.27 0.00 -0.60 0.00 0.00 56.93 56.44 3maa s PHE 379 Cb 0.00 -1.84 -0.10 0.00 0.51 0.00 0.00 43.02 41.59 3maa s PHE 379 CO 0.00 0.65 1.44 -1.01 0.70 0.00 0.00 175.22 177.00 3maa s HIS 380 N -1.31 2.57 0.31 0.36 3.76 -1.26 0.11 115.29 119.82 3maa s HIS 380 Ca 0.27 1.23 -0.28 0.00 -0.15 0.00 0.00 55.06 56.14 3maa s HIS 380 Cb -0.13 -3.94 -0.14 0.00 1.11 0.00 0.00 32.58 29.48 3maa s HIS 380 CO 0.18 -2.86 1.03 1.17 -0.85 0.00 0.00 174.74 173.41 3maa n LYS 381 N 0.19 1.43 -3.72 1.40 4.81 -1.26 -4.59 118.16 116.41 3maa n LYS 381 Ca 0.03 0.50 -0.38 0.00 -0.87 0.00 0.00 58.31 57.59 3maa n LYS 381 Cb 0.41 -1.91 -0.12 0.00 0.02 0.00 0.00 35.03 33.43 3maa n LYS 381 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3maa s ILE 382 N -1.09 3.80 -1.30 3.15 -4.36 -1.26 -5.00 121.20 115.14 3maa s ILE 382 Ca 0.59 -1.34 -0.06 0.00 -0.26 0.00 0.00 60.65 59.57 3maa s ILE 382 Cb -0.67 -3.26 0.14 0.00 1.25 0.00 0.00 42.46 39.92 3maa s ILE 382 CO 0.60 -0.33 2.21 -1.22 0.24 0.00 0.00 174.94 176.44 3maa n TYR 383 N 4.80 2.68 -4.21 1.37 0.53 -1.26 -4.89 117.16 116.18 3maa n TYR 383 Ca -0.11 -2.80 -0.16 0.00 -1.02 0.00 0.00 57.90 53.81 3maa n TYR 383 Cb 0.44 -1.85 -0.14 0.00 -1.03 0.00 0.00 39.34 36.76 3maa n TYR 383 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3maa s ILE 384 N -0.79 0.51 -0.07 -0.72 1.01 -1.26 -2.26 121.20 117.63 3maa s ILE 384 Ca 0.49 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.82 3maa s ILE 384 Cb 0.16 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 42.19 3maa s ILE 384 CO -0.06 0.10 -0.11 0.00 0.00 0.00 0.00 174.94 174.86 3maa s GLN 385 N -0.28 1.65 0.46 2.79 -2.07 -0.78 -4.94 119.66 116.50 3maa s GLN 385 Ca 0.01 -0.39 -0.24 0.00 -1.82 0.00 0.00 55.36 52.92 3maa s GLN 385 Cb -0.03 -1.40 -0.07 0.00 -1.09 0.00 0.00 33.01 30.41 3maa s GLN 385 CO -0.00 -0.01 1.34 0.21 -1.32 0.00 0.00 175.29 175.51 3maa s LYS 386 N 0.78 3.65 -0.00 9.60 2.20 -1.26 -3.31 119.74 131.40 3maa s LYS 386 Ca -0.13 2.22 -0.02 0.00 -0.36 0.00 0.00 55.97 57.68 3maa s LYS 386 Cb -0.15 -2.56 -0.00 0.00 -1.51 0.00 0.00 37.83 33.60 3maa s LYS 386 CO 0.02 -0.78 0.04 -1.01 -0.36 0.00 0.00 175.35 173.27 3maa s HIS 387 N -1.28 0.07 0.06 4.03 3.76 -1.14 -5.00 115.29 115.78 3maa s HIS 387 Ca 0.63 -0.15 0.06 0.00 -0.15 0.00 0.00 55.06 55.45 3maa s HIS 387 Cb -0.39 -0.07 -0.03 0.00 1.11 0.00 0.00 32.58 33.20 3maa s HIS 387 CO 0.49 -0.14 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.57 3maa s ASP 388 N -0.77 2.04 -0.77 1.40 1.01 -1.26 -1.10 116.67 117.22 3maa s ASP 388 Ca -0.09 -0.53 -0.01 0.00 0.71 0.00 0.00 52.55 52.63 3maa s ASP 388 Cb -0.05 -0.13 -0.02 0.00 1.01 0.00 0.00 42.92 43.73 3maa s ASP 388 CO -0.00 0.06 0.65 0.59 0.21 0.00 0.00 175.17 176.68 3maa n ASN 389 N 1.67 -3.09 -4.37 0.27 3.02 -1.05 -5.00 115.26 106.70 3maa n ASN 389 Ca -0.18 -0.44 -0.32 0.00 -0.03 0.00 0.00 54.58 53.61 3maa n ASN 389 Cb 0.54 -3.63 -0.15 0.00 -0.61 0.00 0.00 39.78 35.93 3maa n ASN 389 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3maa s VAL 390 N -3.25 2.48 -0.08 2.41 -7.23 -0.75 -4.84 120.40 109.15 3maa s VAL 390 Ca 0.11 -0.94 -0.13 0.00 -1.81 0.00 0.00 61.98 59.21 3maa s VAL 390 Cb -0.01 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 3maa s VAL 390 CO 0.49 0.58 0.31 -0.44 -0.31 0.00 0.00 175.10 175.74 3maa s SER 391 N -0.59 6.59 -0.06 4.85 0.01 -0.80 -1.27 113.70 122.43 3maa s SER 391 Ca 0.09 0.70 0.03 0.00 1.31 0.00 0.00 55.95 58.08 3maa s SER 391 Cb -0.11 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 3maa s SER 391 CO 0.00 0.26 -0.16 -0.63 0.41 0.00 0.00 173.24 173.12 3maa s ILE 392 N -0.53 2.86 0.02 1.44 1.09 0.94 -0.66 121.20 126.37 3maa s ILE 392 Ca 0.19 -0.78 0.08 0.00 -1.10 0.00 0.00 60.65 59.04 3maa s ILE 392 Cb -0.14 -2.12 -0.02 0.00 -1.06 0.00 0.00 42.46 39.11 3maa s ILE 392 CO 0.08 0.57 -0.23 -0.22 -0.10 0.00 0.00 174.94 175.05 3maa s LEU 393 N -0.43 2.12 0.06 2.97 0.20 -0.56 -1.95 118.68 121.09 3maa s LEU 393 Ca 0.05 -0.50 0.05 0.00 0.69 0.00 0.00 54.13 54.43 3maa s LEU 393 Cb -0.12 -1.12 -0.03 0.00 -0.43 0.00 0.00 46.19 44.49 3maa s LEU 393 CO 0.02 0.23 -0.14 -0.36 -0.29 0.00 0.00 176.35 175.80 3maa s PHE 394 N -0.70 1.24 -0.13 5.38 0.40 -0.22 -2.63 117.98 121.32 3maa s PHE 394 Ca 0.09 -0.42 -0.15 0.00 -0.60 0.00 0.00 56.93 55.85 3maa s PHE 394 Cb -0.09 -0.71 0.04 0.00 0.51 0.00 0.00 43.02 42.77 3maa s PHE 394 CO 0.01 0.06 0.40 0.00 0.70 0.00 0.00 175.22 176.39 3maa s ALA 395 N -1.13 -1.00 0.23 5.36 0.00 -0.85 -0.59 121.76 123.78 3maa s ALA 395 Ca -0.00 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.04 3maa s ALA 395 Cb -0.09 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 3maa s ALA 395 CO 0.02 -0.21 -0.03 0.34 0.00 0.00 0.00 175.76 175.89 3maa s ASP 396 N -0.03 1.98 -0.46 0.00 2.15 -1.10 -2.11 116.67 117.10 3maa s ASP 396 Ca -0.02 -1.19 -0.14 0.00 0.43 0.00 0.00 52.55 51.63 3maa s ASP 396 Cb -0.03 -0.02 0.07 0.00 -0.30 0.00 0.00 42.92 42.64 3maa s ASP 396 CO 0.01 -0.46 0.36 -0.63 -0.17 0.00 0.00 175.17 174.29 3maa s ILE 397 N -3.34 5.03 0.31 4.11 -1.09 -1.22 -1.62 121.20 123.38 3maa s ILE 397 Ca 0.27 -1.11 -0.30 0.00 -2.23 0.00 0.00 60.65 57.29 3maa s ILE 397 Cb 0.05 -4.00 -0.12 0.00 -1.58 0.00 0.00 42.46 36.81 3maa s ILE 397 CO 0.08 -0.55 1.54 1.21 -1.23 0.00 0.00 174.94 176.00 3maa n GLU 398 N 5.14 2.61 -3.98 2.79 4.07 0.44 -2.91 120.64 128.80 3maa n GLU 398 Ca -0.12 0.92 -0.29 0.00 -0.06 0.00 0.00 57.16 57.61 3maa n GLU 398 Cb 0.44 -2.68 0.00 0.00 -0.06 0.00 0.00 31.44 29.14 3maa n GLU 398 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3maa n GLY 399 N 1.75 -0.39 0.22 8.31 0.00 -1.26 -2.73 105.19 111.09 3maa n GLY 399 Ca 0.07 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 3maa n GLY 399 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3maa h PHE 400 N -1.85 0.75 0.00 1.61 3.57 -1.90 -3.15 116.94 115.97 3maa h PHE 400 Ca -0.60 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 60.81 3maa h PHE 400 Cb 1.38 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3maa h PHE 400 CO 0.55 0.69 0.00 0.25 -2.23 0.00 0.00 178.31 177.58 3maa n THR 401 N -4.51 1.09 -0.10 4.41 -2.24 -1.26 -0.90 114.28 110.77 3maa n THR 401 Ca 0.00 0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 62.23 3maa n THR 401 Cb 0.21 -1.55 -0.04 0.00 -2.10 0.00 0.00 70.33 66.85 3maa n THR 401 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3maa h SER 402 N 0.00 0.80 -0.09 3.42 0.02 -1.94 -1.88 113.55 113.88 3maa h SER 402 Ca 0.00 -0.48 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 3maa h SER 402 Cb 0.09 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 3maa h SER 402 CO 0.00 1.12 -0.02 0.25 -1.14 0.00 0.00 176.83 177.04 3maa h LEU 403 N 0.50 0.17 -0.75 5.07 5.85 -1.16 -3.16 115.31 121.82 3maa h LEU 403 Ca 0.05 -0.35 0.15 0.00 0.84 0.00 0.00 57.88 58.56 3maa h LEU 403 Cb 0.90 -0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.78 3maa h LEU 403 CO 0.08 0.48 0.26 0.00 -0.34 0.00 0.00 178.44 178.92 3maa h ALA 404 N 0.69 1.03 0.00 1.25 0.00 -1.10 0.19 119.26 121.33 3maa h ALA 404 Ca 0.02 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3maa h ALA 404 Cb 0.40 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3maa h ALA 404 CO 0.01 -0.26 -0.15 0.66 0.00 0.00 0.00 179.25 179.51 3maa h SER 405 N 0.38 0.00 -0.04 0.00 4.64 -1.44 -3.33 113.55 113.76 3maa h SER 405 Ca 0.42 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.65 3maa h SER 405 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3maa h SER 405 CO -0.44 0.15 -0.31 1.56 -0.87 0.00 0.00 176.83 176.92 3maa h GLN 406 N 0.00 0.28 -6.49 4.77 1.08 -0.58 -3.47 115.11 110.70 3maa h GLN 406 Ca -0.00 -0.25 -0.68 0.00 -1.45 0.00 0.00 58.65 56.27 3maa h GLN 406 Cb 0.63 0.06 -0.20 0.00 -0.05 0.00 0.00 27.48 27.92 3maa h GLN 406 CO 0.02 0.91 -0.77 0.00 -0.95 0.00 0.00 178.83 178.05 3maa n THR 408 N 1.44 1.07 -0.31 0.00 -2.24 -1.26 -4.70 114.28 108.29 3maa n THR 408 Ca -0.16 -0.27 0.25 0.00 -2.27 0.00 0.00 64.05 61.61 3maa n THR 408 Cb 0.52 -1.92 0.39 0.00 -2.10 0.00 0.00 70.33 67.22 3maa n THR 408 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3maa n ALA 409 N 2.02 0.89 -0.00 6.98 0.00 -1.26 -1.34 120.51 127.80 3maa n ALA 409 Ca 0.08 0.31 -0.00 0.00 0.00 0.00 0.00 53.44 53.83 3maa n ALA 409 Cb 0.36 -0.54 -0.00 0.00 0.00 0.00 0.00 19.45 19.28 3maa n ALA 409 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3maa h GLN 410 N 0.00 -0.03 0.00 0.00 5.75 -2.01 -3.17 115.11 115.65 3maa h GLN 410 Ca 0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.94 3maa h GLN 410 Cb 1.96 0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.52 3maa h GLN 410 CO -0.00 -0.02 0.00 -0.85 -2.65 0.00 0.00 178.83 175.31 3maa n GLU 411 N -2.68 0.04 0.00 1.69 0.28 -0.45 -1.85 120.64 117.68 3maa n GLU 411 Ca -0.00 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 3maa n GLU 411 Cb 0.01 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.26 3maa n GLU 411 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3maa n LEU 412 N -1.70 0.09 -0.14 -1.84 -0.00 -1.00 -3.85 117.00 108.55 3maa n LEU 412 Ca 0.01 0.65 0.13 0.00 -0.00 0.00 0.00 56.01 56.80 3maa n LEU 412 Cb 0.06 -0.48 0.24 0.00 -0.00 0.00 0.00 43.42 43.25 3maa n LEU 412 CO 0.06 -0.48 0.45 0.52 -0.00 0.00 0.00 177.39 177.95 3maa n VAL 413 N -1.93 -0.18 0.32 1.96 0.31 -0.77 -0.32 118.33 117.72 3maa n VAL 413 Ca 0.00 0.90 -0.16 0.00 -0.01 0.00 0.00 64.34 65.07 3maa n VAL 413 Cb 0.00 -1.44 -0.08 0.00 -0.91 0.00 0.00 33.84 31.41 3maa n VAL 413 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3maa h MET 414 N 0.00 -0.77 -1.00 5.55 2.86 -1.67 0.36 114.93 120.26 3maa h MET 414 Ca 0.36 0.05 0.09 0.00 -2.06 0.00 0.00 59.70 58.15 3maa h MET 414 Cb 0.94 0.18 -0.08 0.00 0.06 0.00 0.00 31.60 32.70 3maa h MET 414 CO -0.35 -0.47 0.63 1.15 1.06 0.00 0.00 176.91 178.94 3maa h THR 415 N -0.96 1.00 0.62 2.22 2.02 -0.77 0.78 112.91 117.81 3maa h THR 415 Ca -0.08 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 3maa h THR 415 Cb 0.66 -0.17 0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3maa h THR 415 CO 0.13 0.20 -0.30 0.25 0.37 0.00 0.00 175.52 176.17 3maa h LEU 416 N 1.07 -0.71 -1.98 2.58 6.46 -1.42 -2.10 115.31 119.20 3maa h LEU 416 Ca 0.46 0.02 0.19 0.00 -0.12 0.00 0.00 57.88 58.44 3maa h LEU 416 Cb 0.34 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 3maa h LEU 416 CO -0.22 -0.41 0.53 -1.13 -0.62 0.00 0.00 178.44 176.58 3maa h ASN 417 N -1.03 0.00 0.00 1.25 -1.24 -0.08 -0.86 115.58 113.61 3maa h ASN 417 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.92 3maa h ASN 417 Cb 0.64 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.69 3maa h ASN 417 CO 0.14 0.00 0.00 1.21 -1.29 0.00 0.00 177.43 177.49 3maa n GLU 418 N -4.12 0.00 -0.25 6.67 4.07 0.27 -2.46 120.64 124.82 3maa n GLU 418 Ca 0.13 0.05 0.01 0.00 -0.06 0.00 0.00 57.16 57.29 3maa n GLU 418 Cb 0.78 -0.92 0.08 0.00 -0.06 0.00 0.00 31.44 31.32 3maa n GLU 418 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3maa h LEU 419 N 0.00 -0.69 -0.60 4.31 5.85 -1.17 -1.70 115.31 121.32 3maa h LEU 419 Ca 0.00 0.22 0.07 0.00 0.84 0.00 0.00 57.88 59.01 3maa h LEU 419 Cb 0.00 0.45 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3maa h LEU 419 CO 0.00 -0.24 0.28 -0.26 -0.34 0.00 0.00 178.44 177.88 3maa h PHE 420 N -0.00 0.50 0.00 1.25 0.04 -1.28 0.64 116.94 118.09 3maa h PHE 420 Ca 0.35 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 61.10 3maa h PHE 420 Cb 0.53 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 3maa h PHE 420 CO -0.58 0.19 -0.21 0.00 -0.60 0.00 0.00 178.31 177.11 3maa h ALA 421 N 1.37 1.38 -0.05 2.45 0.00 -0.99 0.95 119.26 124.37 3maa h ALA 421 Ca 0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3maa h ALA 421 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3maa h ALA 421 CO -0.24 0.26 -0.12 -0.09 0.00 0.00 0.00 179.25 179.07 3maa h ARG 422 N 0.00 0.17 -0.19 0.00 1.12 -0.14 -1.86 114.38 113.47 3maa h ARG 422 Ca -0.00 -0.11 0.06 0.00 -1.11 0.00 0.00 59.98 58.81 3maa h ARG 422 Cb 0.45 0.02 -0.07 0.00 -0.01 0.00 0.00 29.97 30.36 3maa h ARG 422 CO 0.03 0.71 -0.29 0.74 -3.11 0.00 0.00 179.97 178.04 3maa h PHE 423 N -0.35 -0.80 -0.74 2.20 0.04 0.68 0.34 116.94 118.31 3maa h PHE 423 Ca -0.00 0.04 0.21 0.00 2.80 0.00 0.00 57.97 61.02 3maa h PHE 423 Cb 0.71 0.38 -0.03 0.00 2.20 0.00 0.00 35.95 39.21 3maa h PHE 423 CO 0.12 -0.37 0.71 -0.44 -0.60 0.00 0.00 178.31 177.74 3maa h ASP 424 N -0.33 0.00 0.00 2.17 5.19 0.98 -1.09 116.42 123.34 3maa h ASP 424 Ca 0.12 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.38 3maa h ASP 424 Cb 0.52 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 3maa h ASP 424 CO -0.38 0.00 -0.81 0.50 -3.12 0.00 0.00 179.24 175.43 3maa h LYS 425 N 0.00 0.00 -0.79 3.56 3.64 -0.21 -3.33 116.57 119.44 3maa h LYS 425 Ca 0.35 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.79 3maa h LYS 425 Cb 1.77 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.53 3maa h LYS 425 CO -0.00 0.98 0.47 -0.07 -2.27 0.00 0.00 179.45 178.55 3maa h LEU 426 N -1.00 0.72 -0.48 5.20 3.38 -0.44 -0.92 115.31 121.76 3maa h LEU 426 Ca -0.22 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.82 3maa h LEU 426 Cb 1.18 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 3maa h LEU 426 CO -0.13 0.46 -0.29 0.00 0.09 0.00 0.00 178.44 178.57 3maa n ALA 427 N -2.35 -0.31 -0.19 1.53 0.00 -0.46 0.13 120.51 118.85 3maa n ALA 427 Ca 0.11 0.41 -0.07 0.00 0.00 0.00 0.00 53.44 53.89 3maa n ALA 427 Cb 0.18 -0.06 0.03 0.00 0.00 0.00 0.00 19.45 19.60 3maa n ALA 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3maa h ALA 428 N 0.22 0.71 0.39 0.00 0.00 -1.28 0.74 119.26 120.04 3maa h ALA 428 Ca 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3maa h ALA 428 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3maa h ALA 428 CO -0.45 0.20 -0.41 0.93 0.00 0.00 0.00 179.25 179.52 3maa h GLU 429 N 0.75 -0.80 0.00 0.00 5.08 -0.31 -3.04 114.58 116.25 3maa h GLU 429 Ca 0.20 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3maa h GLU 429 Cb 0.01 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3maa h GLU 429 CO -0.04 -0.53 0.00 0.09 -1.00 0.00 0.00 179.01 177.53 3maa n ASN 430 N -5.50 0.00 -1.32 1.42 3.02 0.36 -4.90 115.26 108.33 3maa n ASN 430 Ca -0.10 -0.82 -0.07 0.00 -0.03 0.00 0.00 54.58 53.56 3maa n ASN 430 Cb 0.40 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.59 3maa n ASN 430 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3maa n HIS 431 N -1.00 -0.78 -4.17 3.10 8.25 0.22 -4.62 115.22 116.22 3maa n HIS 431 Ca 0.20 0.26 -0.33 0.00 -0.26 0.00 0.00 57.72 57.59 3maa n HIS 431 Cb 0.09 -2.16 -0.16 0.00 1.12 0.00 0.00 29.99 28.88 3maa n HIS 431 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3maa s LEU 433 N 1.24 4.30 0.46 0.00 1.98 -0.99 -4.14 118.68 121.53 3maa s LEU 433 Ca 0.04 2.20 -0.22 0.00 -2.89 0.00 0.00 54.13 53.26 3maa s LEU 433 Cb -0.13 -3.53 -0.08 0.00 0.66 0.00 0.00 46.19 43.10 3maa s LEU 433 CO -0.11 -0.93 1.07 -0.60 -1.89 0.00 0.00 176.35 173.89 3maa s ARG 434 N 4.05 3.86 0.00 1.98 3.52 -1.26 -1.67 118.95 129.42 3maa s ARG 434 Ca 0.73 1.51 0.00 0.00 -0.13 0.00 0.00 55.73 57.83 3maa s ARG 434 Cb -0.33 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.79 3maa s ARG 434 CO 0.29 -0.41 0.00 -0.89 -0.81 0.00 0.00 175.30 173.48 3maa n ILE 435 N -0.64 0.00 -3.92 4.11 2.08 0.42 -4.93 119.36 116.47 3maa n ILE 435 Ca 0.08 0.07 -0.09 0.00 0.56 0.00 0.00 62.75 63.36 3maa n ILE 435 Cb 0.51 -0.92 -0.07 0.00 -0.75 0.00 0.00 39.64 38.40 3maa n ILE 435 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3maa s LYS 436 N -0.14 1.12 -0.14 0.38 1.02 -1.20 -4.77 119.74 116.01 3maa s LYS 436 Ca 0.00 -1.11 -0.01 0.00 0.02 0.00 0.00 55.97 54.87 3maa s LYS 436 Cb 0.00 0.38 -0.02 0.00 -0.52 0.00 0.00 37.83 37.67 3maa s LYS 436 CO 0.00 -0.41 -0.10 0.42 -0.92 0.00 0.00 175.35 174.35 3maa s ILE 437 N -3.94 3.37 -0.61 2.17 1.09 -1.26 -2.96 121.20 119.04 3maa s ILE 437 Ca 0.14 -0.55 0.06 0.00 -1.10 0.00 0.00 60.65 59.20 3maa s ILE 437 Cb 0.03 -2.44 0.21 0.00 -1.06 0.00 0.00 42.46 39.21 3maa s ILE 437 CO -0.02 0.52 0.59 0.18 -0.10 0.00 0.00 174.94 176.10 3maa n LEU 438 N 3.49 2.64 0.00 2.97 4.77 0.11 -4.99 117.00 126.00 3maa n LEU 438 Ca -0.18 -5.16 0.00 0.00 -0.03 0.00 0.00 56.01 50.64 3maa n LEU 438 Cb 0.53 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3maa n LEU 438 CO 0.31 1.93 0.00 0.61 -1.33 0.00 0.00 177.39 178.91 3maa n GLY 439 N 1.54 3.12 0.87 -0.72 0.00 -1.26 -2.66 105.19 106.08 3maa n GLY 439 Ca 0.25 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 46.10 3maa n GLY 439 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3maa n ASP 440 N 9.02 2.44 -4.25 1.61 5.75 -1.26 -4.82 116.55 125.04 3maa n ASP 440 Ca 0.00 -2.23 -0.32 0.00 -0.01 0.00 0.00 54.79 52.22 3maa n ASP 440 Cb 0.00 -0.43 -0.16 0.00 -1.03 0.00 0.00 41.12 39.50 3maa n ASP 440 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3maa s TYR 442 N 0.50 2.71 -0.15 0.00 6.04 -0.90 0.07 117.35 125.63 3maa s TYR 442 Ca -0.13 -0.18 -0.28 0.00 0.04 0.00 0.00 57.07 56.52 3maa s TYR 442 Cb -0.17 -1.39 0.08 0.00 -1.04 0.00 0.00 41.96 39.45 3maa s TYR 442 CO 0.05 0.46 0.75 1.52 -1.54 0.00 0.00 175.55 176.79 3maa s TYR 443 N -1.39 -0.66 0.22 4.97 1.13 -1.16 -2.00 117.35 118.46 3maa s TYR 443 Ca 0.23 1.35 0.00 0.00 -1.41 0.00 0.00 57.07 57.24 3maa s TYR 443 Cb -0.10 0.36 0.00 0.00 -1.10 0.00 0.00 41.96 41.12 3maa s TYR 443 CO 0.14 -0.48 0.29 0.00 -2.51 0.00 0.00 175.55 172.99 3maa s VAL 445 N -2.71 0.04 -0.14 0.00 0.11 -0.67 -1.50 120.40 115.52 3maa s VAL 445 Ca 0.20 -0.31 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 3maa s VAL 445 Cb -0.00 -1.02 0.04 0.00 -1.53 0.00 0.00 36.38 33.86 3maa s VAL 445 CO 0.14 -0.17 -0.04 -0.55 -3.33 0.00 0.00 175.10 171.16 3maa s SER 446 N -2.30 2.51 0.00 3.54 0.15 0.17 -2.36 113.70 115.41 3maa s SER 446 Ca -0.02 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.11 3maa s SER 446 Cb -0.00 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 3maa s SER 446 CO -0.06 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.80 3maa n GLY 447 N 4.95 -0.39 3.41 9.45 0.00 -1.26 -1.91 105.19 119.44 3maa n GLY 447 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3maa n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3maa s LEU 448 N 0.00 2.41 0.21 0.99 1.43 -1.26 -3.75 118.68 118.70 3maa s LEU 448 Ca 0.00 -0.62 0.26 0.00 -1.03 0.00 0.00 54.13 52.74 3maa s LEU 448 Cb 0.00 -1.35 0.77 0.00 0.03 0.00 0.00 46.19 45.64 3maa s LEU 448 CO 0.00 0.21 1.74 -0.81 0.23 0.00 0.00 176.35 177.72 3maa n PRO 449 N 1.17 0.27 -4.67 1.29 -0.04 -1.26 -4.38 135.00 127.39 3maa n PRO 449 Ca -0.17 0.21 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 3maa n PRO 449 Cb 0.53 -1.80 -0.16 0.00 -0.04 0.00 0.00 33.50 32.03 3maa n PRO 449 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3maa s GLU 450 N -3.11 1.34 0.88 0.54 -6.30 -1.25 -5.11 118.70 105.70 3maa s GLU 450 Ca 0.10 -0.50 -0.12 0.00 -2.50 0.00 0.00 54.97 51.95 3maa s GLU 450 Cb 0.12 -1.23 0.09 0.00 0.00 0.00 0.00 34.13 33.11 3maa s GLU 450 CO 0.61 0.24 0.95 0.00 0.02 0.00 0.00 175.26 177.08 3maa n ALA 451 N 3.00 -1.05 -3.44 6.30 0.00 -1.25 -4.55 120.51 119.52 3maa n ALA 451 Ca -0.17 -0.48 -0.15 0.00 0.00 0.00 0.00 53.44 52.65 3maa n ALA 451 Cb 0.54 -2.09 -0.08 0.00 0.00 0.00 0.00 19.45 17.82 3maa n ALA 451 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3maa s ARG 452 N -4.10 0.79 0.05 0.00 3.52 -1.26 -4.96 118.95 112.98 3maa s ARG 452 Ca 0.66 0.44 -0.14 0.00 -0.13 0.00 0.00 55.73 56.57 3maa s ARG 452 Cb -0.25 0.37 -0.30 0.00 -1.56 0.00 0.00 34.95 33.20 3maa s ARG 452 CO 0.58 -0.17 1.08 0.00 -0.81 0.00 0.00 175.30 175.98 3maa h ALA 453 N 4.30 -0.04 0.00 6.12 0.00 -1.97 -3.22 119.26 124.46 3maa h ALA 453 Ca -0.28 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 53.83 3maa h ALA 453 Cb 1.16 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3maa h ALA 453 CO 0.27 0.71 0.00 -0.25 0.00 0.00 0.00 179.25 179.98 3maa n ASP 454 N -3.76 0.00 -0.28 0.00 9.92 -1.26 -4.44 116.55 116.73 3maa n ASP 454 Ca -0.14 -0.90 0.10 0.00 -0.53 0.00 0.00 54.79 53.31 3maa n ASP 454 Cb 1.02 0.00 0.23 0.00 -0.64 0.00 0.00 41.12 41.73 3maa n ASP 454 CO 0.00 0.00 0.00 1.12 0.13 0.00 0.00 177.20 178.45 3maa h HIS 455 N 0.00 0.19 0.42 1.24 2.07 -1.86 0.47 115.15 117.68 3maa h HIS 455 Ca 0.00 0.05 -0.02 0.00 -2.85 0.00 0.00 60.37 57.55 3maa h HIS 455 Cb 0.00 0.05 0.00 0.00 2.57 0.00 0.00 27.41 30.03 3maa h HIS 455 CO 0.00 -0.22 -0.20 0.00 -3.07 0.00 0.00 177.93 174.44 3maa h ALA 456 N 1.75 -0.57 -0.96 6.11 0.00 -1.78 -3.16 119.26 120.65 3maa h ALA 456 Ca 0.49 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.50 3maa h ALA 456 Cb 0.94 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 3maa h ALA 456 CO -0.66 -0.79 0.64 0.45 0.00 0.00 0.00 179.25 178.88 3maa h HIS 457 N -0.61 0.53 0.49 0.00 -0.00 -0.32 -1.03 115.15 114.21 3maa h HIS 457 Ca -0.06 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 3maa h HIS 457 Cb 0.46 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 3maa h HIS 457 CO -0.04 0.11 -0.23 0.00 -0.00 0.00 0.00 177.93 177.77 3maa h VAL 460 N 0.00 0.00 -0.06 0.00 2.07 -1.03 -2.86 116.25 114.38 3maa h VAL 460 Ca 0.03 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3maa h VAL 460 Cb 0.13 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3maa h VAL 460 CO -0.00 0.00 0.27 -0.33 0.02 0.00 0.00 177.57 177.53 3maa h GLU 461 N -0.71 0.00 0.54 1.57 4.39 0.15 0.35 114.58 120.86 3maa h GLU 461 Ca -0.05 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 3maa h GLU 461 Cb 0.41 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3maa h GLU 461 CO 0.09 0.00 -0.26 1.98 -1.16 0.00 0.00 179.01 179.66 3maa h MET 462 N 0.00 -0.70 -0.11 2.33 1.85 -0.32 -2.79 114.93 115.18 3maa h MET 462 Ca 0.03 0.05 0.04 0.00 -0.61 0.00 0.00 59.70 59.21 3maa h MET 462 Cb 0.58 0.16 -0.05 0.00 0.43 0.00 0.00 31.60 32.71 3maa h MET 462 CO -0.00 -0.39 -0.22 0.78 -0.40 0.00 0.00 176.91 176.67 3maa h GLY 463 N -1.04 -0.23 -0.42 1.39 0.00 -0.12 -1.33 103.07 101.31 3maa h GLY 463 Ca -0.07 0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.57 3maa h GLY 463 CO 0.12 -0.19 -0.25 1.03 0.00 0.00 0.00 176.54 177.25 3maa n MET 464 N -5.36 -0.19 0.24 4.80 2.00 -0.53 -0.38 117.12 117.71 3maa n MET 464 Ca -0.03 0.78 0.12 0.00 0.00 0.00 0.00 57.70 58.56 3maa n MET 464 Cb 0.27 -1.14 0.60 0.00 0.00 0.00 0.00 33.22 32.95 3maa n MET 464 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3maa h ASP 465 N 0.00 0.00 -0.12 7.83 3.32 -0.98 -3.23 116.42 123.24 3maa h ASP 465 Ca 0.07 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.94 3maa h ASP 465 Cb 0.17 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.73 3maa h ASP 465 CO -0.40 0.17 -0.61 0.24 -1.72 0.00 0.00 179.24 176.92 3maa h MET 466 N 0.00 0.62 -0.11 3.56 2.86 -0.03 0.28 114.93 122.12 3maa h MET 466 Ca -0.00 -0.51 -0.17 0.00 -2.06 0.00 0.00 59.70 56.96 3maa h MET 466 Cb 0.54 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 3maa h MET 466 CO 0.02 1.13 -0.65 0.82 1.06 0.00 0.00 176.91 179.29 3maa h ILE 467 N 0.27 1.36 0.37 -1.22 5.03 -1.62 0.22 117.51 121.91 3maa h ILE 467 Ca -0.04 -1.99 -0.00 0.00 -0.12 0.00 0.00 64.86 62.70 3maa h ILE 467 Cb 1.25 1.98 -0.03 0.00 -3.03 0.00 0.00 36.82 36.99 3maa h ILE 467 CO 0.13 0.60 -0.41 -0.08 -0.68 0.00 0.00 178.15 177.71 3maa h GLU 468 N 0.31 -0.78 -0.05 2.37 4.22 -1.56 -2.14 114.58 116.94 3maa h GLU 468 Ca -0.01 0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.52 3maa h GLU 468 Cb 1.20 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.57 3maa h GLU 468 CO 0.11 -0.52 -0.31 0.00 -2.18 0.00 0.00 179.01 176.11 3maa h ALA 469 N -0.44 -0.41 -0.07 2.92 0.00 -0.14 -1.83 119.26 119.28 3maa h ALA 469 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3maa h ALA 469 Cb 0.74 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3maa h ALA 469 CO -0.09 -0.81 0.08 0.97 0.00 0.00 0.00 179.25 179.40 3maa h ILE 470 N -0.43 0.52 -0.09 0.00 6.09 -0.58 -2.55 117.51 120.47 3maa h ILE 470 Ca 0.08 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.53 3maa h ILE 470 Cb 0.54 0.94 -0.01 0.00 0.47 0.00 0.00 36.82 38.76 3maa h ILE 470 CO -0.30 0.00 -0.11 0.28 -3.07 0.00 0.00 178.15 174.95 3maa h SER 471 N 0.00 0.12 -0.51 2.19 0.02 -0.63 -1.75 113.55 112.99 3maa h SER 471 Ca 0.03 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3maa h SER 471 Cb 0.19 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 3maa h SER 471 CO -0.00 0.25 0.33 -0.07 -1.14 0.00 0.00 176.83 176.20 3maa h LEU 472 N 0.12 0.55 -1.03 5.07 3.38 -1.54 -2.45 115.31 119.41 3maa h LEU 472 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3maa h LEU 472 Cb 0.28 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3maa h LEU 472 CO 0.02 0.39 0.00 0.58 0.09 0.00 0.00 178.44 179.52 3maa h VAL 473 N 0.66 0.00 -0.02 1.22 2.07 -1.46 0.40 116.25 119.12 3maa h VAL 473 Ca 0.20 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 3maa h VAL 473 Cb -0.03 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3maa h VAL 473 CO -0.06 0.00 -0.38 -0.09 0.02 0.00 0.00 177.57 177.05 3maa h ARG 474 N 0.00 0.29 -0.43 1.57 2.43 -0.98 -2.80 114.38 114.46 3maa h ARG 474 Ca 0.00 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 3maa h ARG 474 Cb 0.44 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3maa h ARG 474 CO 0.00 0.98 0.21 0.93 -1.51 0.00 0.00 179.97 180.58 3maa h GLU 475 N -0.29 0.62 0.00 0.20 3.07 -1.14 0.14 114.58 117.16 3maa h GLU 475 Ca -0.04 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3maa h GLU 475 Cb 1.10 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 3maa h GLU 475 CO 0.08 0.52 0.00 -1.33 -1.40 0.00 0.00 179.01 176.88 3maa n MET 476 N -4.67 0.11 -0.00 2.33 2.81 0.14 -4.02 117.12 113.81 3maa n MET 476 Ca 0.01 0.25 -0.01 0.00 -1.81 0.00 0.00 57.70 56.14 3maa n MET 476 Cb 0.11 -1.68 -0.00 0.00 -0.71 0.00 0.00 33.22 30.94 3maa n MET 476 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3maa n THR 477 N -1.88 0.25 0.00 2.03 -1.04 -1.06 -5.02 114.28 107.56 3maa n THR 477 Ca 0.04 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 3maa n THR 477 Cb 0.27 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 3maa n THR 477 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3maa n GLY 478 N 2.70 1.88 3.82 3.41 0.00 0.47 -5.08 105.19 112.40 3maa n GLY 478 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3maa n GLY 478 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3maa s VAL 479 N -1.56 4.38 -1.01 1.61 0.11 -1.26 -4.97 120.40 117.70 3maa s VAL 479 Ca 0.00 1.43 -0.07 0.00 -2.93 0.00 0.00 61.98 60.41 3maa s VAL 479 Cb 0.00 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 3maa s VAL 479 CO 0.00 -0.37 2.94 0.59 -3.33 0.00 0.00 175.10 174.93 3maa n ASN 480 N -0.79 7.45 -4.76 3.54 5.03 -1.26 -4.66 115.26 119.81 3maa n ASN 480 Ca 0.07 -2.80 -0.40 0.00 0.87 0.00 0.00 54.58 52.33 3maa n ASN 480 Cb 0.54 -1.43 -0.05 0.00 -1.02 0.00 0.00 39.78 37.82 3maa n ASN 480 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3maa s VAL 481 N 0.37 4.62 0.00 2.41 -7.23 -1.26 -4.79 120.40 114.52 3maa s VAL 481 Ca 0.64 1.64 0.00 0.00 -1.81 0.00 0.00 61.98 62.44 3maa s VAL 481 Cb 0.24 -4.11 0.00 0.00 0.56 0.00 0.00 36.38 33.07 3maa s VAL 481 CO -0.08 0.42 0.00 -3.20 -0.31 0.00 0.00 175.10 171.93 3maa n ASN 482 N 2.40 0.00 -4.51 4.85 2.85 -1.11 -4.66 115.26 115.08 3maa n ASN 482 Ca -0.04 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.16 3maa n ASN 482 Cb 0.50 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.42 3maa n ASN 482 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 3maa s MET 483 N 1.30 1.94 -0.42 1.20 1.75 -1.26 -0.42 119.30 123.38 3maa s MET 483 Ca 0.00 -2.15 0.03 0.00 -1.25 0.00 0.00 55.69 52.32 3maa s MET 483 Cb 0.00 -1.20 0.19 0.00 2.84 0.00 0.00 34.83 36.66 3maa s MET 483 CO 0.00 -0.25 0.77 0.50 -0.65 0.00 0.00 175.02 175.39 3maa s ARG 484 N -3.80 0.73 0.64 4.11 3.52 -0.64 -0.13 118.95 123.39 3maa s ARG 484 Ca 0.25 -0.47 -0.11 0.00 -0.13 0.00 0.00 55.73 55.28 3maa s ARG 484 Cb 0.06 0.03 -0.02 0.00 -1.56 0.00 0.00 34.95 33.46 3maa s ARG 484 CO 0.13 -0.99 1.04 0.08 -0.81 0.00 0.00 175.30 174.75 3maa s VAL 485 N 1.48 4.47 -0.28 7.11 1.01 -1.23 -2.72 120.40 130.25 3maa s VAL 485 Ca 0.21 0.81 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 3maa s VAL 485 Cb 0.00 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.76 3maa s VAL 485 CO -0.08 -1.04 0.68 -0.83 0.00 0.00 0.00 175.10 173.83 3maa s GLY 486 N -4.01 -0.64 -0.04 4.51 0.00 0.24 -2.92 107.32 104.46 3maa s GLY 486 Ca 0.56 2.40 -0.02 0.00 0.00 0.00 0.00 44.72 47.66 3maa s GLY 486 CO 0.54 2.44 0.06 -0.42 0.00 0.00 0.00 173.10 175.72 3maa s ILE 487 N 1.74 -0.09 0.38 0.90 1.09 -0.44 -1.06 121.20 123.73 3maa s ILE 487 Ca -0.10 0.40 0.08 0.00 -1.10 0.00 0.00 60.65 59.93 3maa s ILE 487 Cb -0.06 -0.16 -0.06 0.00 -1.06 0.00 0.00 42.46 41.12 3maa s ILE 487 CO -0.20 0.18 0.07 -2.28 -0.10 0.00 0.00 174.94 172.61 3maa s HIS 488 N 2.08 2.56 -0.03 3.97 2.46 -0.82 -2.67 115.29 122.84 3maa s HIS 488 Ca 0.04 -0.54 -0.00 0.00 0.47 0.00 0.00 55.06 55.03 3maa s HIS 488 Cb -0.12 -1.71 0.03 0.00 -0.13 0.00 0.00 32.58 30.65 3maa s HIS 488 CO -0.03 0.37 0.04 -1.12 -2.47 0.00 0.00 174.74 171.53 3maa s SER 489 N -3.78 0.27 0.00 9.88 0.01 -1.26 -0.04 113.70 118.78 3maa s SER 489 Ca 0.37 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.69 3maa s SER 489 Cb 0.03 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.19 3maa s SER 489 CO 0.20 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.31 3maa n GLY 490 N 4.41 2.18 3.91 3.44 0.00 -0.39 -4.75 105.19 113.99 3maa n GLY 490 Ca -0.23 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 3maa n GLY 490 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3maa s ARG 491 N 2.40 3.58 0.19 1.61 1.70 -1.26 -1.81 118.95 125.37 3maa s ARG 491 Ca 0.00 0.04 0.02 0.00 -0.47 0.00 0.00 55.73 55.33 3maa s ARG 491 Cb 0.00 -2.53 -0.01 0.00 -0.57 0.00 0.00 34.95 31.84 3maa s ARG 491 CO 0.00 0.03 0.09 1.33 -1.08 0.00 0.00 175.30 175.67 3maa n VAL 492 N -1.64 0.00 -4.28 4.99 0.24 -0.26 -4.59 118.33 112.80 3maa n VAL 492 Ca -0.01 -1.19 -0.15 0.00 -2.04 0.00 0.00 64.34 60.95 3maa n VAL 492 Cb 0.55 0.47 -0.10 0.00 -1.47 0.00 0.00 33.84 33.29 3maa n VAL 492 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3maa s HIS 493 N -2.40 1.36 -0.17 6.34 3.76 0.12 -2.86 115.29 121.44 3maa s HIS 493 Ca 0.13 -0.82 -0.29 0.00 -0.15 0.00 0.00 55.06 53.93 3maa s HIS 493 Cb 0.01 -0.73 0.10 0.00 1.11 0.00 0.00 32.58 33.07 3maa s HIS 493 CO 0.09 0.04 0.88 0.00 -0.85 0.00 0.00 174.74 174.90 3maa n GLY 495 N 1.31 0.15 3.12 0.00 0.00 -0.88 -1.86 105.19 107.03 3maa n GLY 495 Ca -0.14 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 3maa n GLY 495 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3maa s VAL 496 N 0.00 0.18 0.12 1.61 -7.23 -0.96 -1.90 120.40 112.23 3maa s VAL 496 Ca 0.00 -1.51 0.08 0.00 -1.81 0.00 0.00 61.98 58.74 3maa s VAL 496 Cb 0.00 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 3maa s VAL 496 CO 0.00 -0.84 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.00 3maa s LEU 497 N -2.77 2.35 0.00 1.32 1.43 -1.26 -4.43 118.68 115.31 3maa s LEU 497 Ca 0.04 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 3maa s LEU 497 Cb 0.05 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.41 3maa s LEU 497 CO -0.09 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.12 3maa n GLY 498 N 0.82 0.02 0.13 -3.19 0.00 -1.26 -4.61 105.19 97.10 3maa n GLY 498 Ca -0.17 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.86 3maa n GLY 498 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3maa n LEU 499 N 0.00 2.65 -4.75 0.99 4.77 -1.26 -4.99 117.00 114.41 3maa n LEU 499 Ca 0.00 0.05 -0.36 0.00 -0.03 0.00 0.00 56.01 55.68 3maa n LEU 499 Cb 0.00 -0.93 -0.08 0.00 -2.33 0.00 0.00 43.42 40.07 3maa n LEU 499 CO 0.00 0.81 -0.25 -0.13 -1.33 0.00 0.00 177.39 176.49 3maa s ARG 500 N -2.52 3.29 -0.74 3.23 1.81 -1.26 -4.71 118.95 118.05 3maa s ARG 500 Ca -0.33 -0.29 -0.02 0.00 -1.72 0.00 0.00 55.73 53.36 3maa s ARG 500 Cb 0.10 -3.00 -0.03 0.00 -0.45 0.00 0.00 34.95 31.57 3maa s ARG 500 CO 0.61 0.67 0.64 1.63 -0.68 0.00 0.00 175.30 178.17 3maa n LYS 501 N 2.27 -2.73 -2.02 3.54 4.76 -1.26 -4.96 118.16 117.75 3maa n LYS 501 Ca -0.19 0.58 -0.37 0.00 -2.87 0.00 0.00 58.31 55.46 3maa n LYS 501 Cb 0.54 -4.55 0.02 0.00 -1.84 0.00 0.00 35.03 29.20 3maa n LYS 501 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3maa s TRP 502 N -3.25 2.55 -0.09 2.13 0.51 -1.26 -5.04 118.94 114.49 3maa s TRP 502 Ca 0.18 1.47 -0.04 0.00 -2.12 0.00 0.00 56.10 55.59 3maa s TRP 502 Cb -0.02 -3.56 0.05 0.00 -0.81 0.00 0.00 33.47 29.12 3maa s TRP 502 CO 0.49 -2.19 0.20 -0.65 -0.51 0.00 0.00 176.95 174.29 3maa s GLN 503 N -2.91 0.12 0.43 4.98 -0.21 -1.26 -5.12 119.66 115.68 3maa s GLN 503 Ca 0.70 0.52 -0.25 0.00 0.02 0.00 0.00 55.36 56.34 3maa s GLN 503 Cb -0.33 -0.16 -0.10 0.00 1.00 0.00 0.00 33.01 33.42 3maa s GLN 503 CO 0.39 -0.21 1.30 0.34 -2.12 0.00 0.00 175.29 174.99 3maa n PHE 504 N 4.63 2.23 -3.94 0.91 7.35 -1.26 -4.65 117.46 122.74 3maa n PHE 504 Ca -0.18 0.49 -0.10 0.00 -0.76 0.00 0.00 57.45 56.90 3maa n PHE 504 Cb 0.51 -2.39 -0.02 0.00 0.35 0.00 0.00 39.48 37.93 3maa n PHE 504 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3maa s ASP 505 N -0.52 0.15 0.00 -2.13 -1.08 -0.80 -4.72 116.67 107.58 3maa s ASP 505 Ca 0.61 -1.07 -0.03 0.00 -0.52 0.00 0.00 52.55 51.54 3maa s ASP 505 Cb -0.50 0.71 -0.01 0.00 -1.46 0.00 0.00 42.92 41.67 3maa s ASP 505 CO 0.58 -1.38 0.05 0.68 0.52 0.00 0.00 175.17 175.61 3maa s VAL 506 N -3.25 0.07 -0.20 1.11 -7.23 -1.26 -2.07 120.40 107.57 3maa s VAL 506 Ca 0.20 -0.58 -0.14 0.00 -1.81 0.00 0.00 61.98 59.65 3maa s VAL 506 Cb -0.03 -0.26 0.06 0.00 0.56 0.00 0.00 36.38 36.71 3maa s VAL 506 CO 0.12 -0.32 0.50 0.26 -0.31 0.00 0.00 175.10 175.35 3maa s TRP 507 N -1.00 -0.66 0.00 2.82 0.51 -0.44 -4.91 118.94 115.26 3maa s TRP 507 Ca -0.11 1.47 0.00 0.00 -2.12 0.00 0.00 56.10 55.34 3maa s TRP 507 Cb -0.07 0.30 0.00 0.00 -0.81 0.00 0.00 33.47 32.89 3maa s TRP 507 CO 0.00 -0.34 0.00 -1.13 -0.51 0.00 0.00 176.95 174.97 3maa n SER 508 N 3.62 0.00 -0.09 2.95 3.41 -1.26 -0.70 113.62 121.55 3maa n SER 508 Ca -0.18 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.34 3maa n SER 508 Cb 0.56 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 3maa n SER 508 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3maa h ASN 509 N 0.00 0.30 -1.14 4.04 2.35 -1.99 -1.06 115.58 118.08 3maa h ASN 509 Ca 0.00 0.00 0.32 0.00 -0.55 0.00 0.00 56.30 56.07 3maa h ASN 509 Cb 0.00 -0.06 -0.10 0.00 0.05 0.00 0.00 38.32 38.21 3maa h ASN 509 CO 0.00 0.22 0.74 0.44 -1.65 0.00 0.00 177.43 177.18 3maa h ASP 510 N 0.38 0.34 0.42 5.81 3.32 -1.95 0.73 116.42 125.46 3maa h ASP 510 Ca 0.12 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3maa h ASP 510 Cb -0.01 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3maa h ASP 510 CO -0.05 0.00 -0.20 0.58 -1.72 0.00 0.00 179.24 177.85 3maa h VAL 511 N 0.26 0.21 -0.84 -1.35 2.07 -1.49 -2.07 116.25 113.04 3maa h VAL 511 Ca 0.65 -0.62 0.20 0.00 0.82 0.00 0.00 66.70 67.76 3maa h VAL 511 Cb 1.89 0.33 -0.15 0.00 -1.52 0.00 0.00 31.29 31.84 3maa h VAL 511 CO -0.30 0.05 -0.00 0.74 0.02 0.00 0.00 177.57 178.08 3maa h THR 512 N -1.08 0.22 -0.46 2.57 2.02 -0.08 0.26 112.91 116.36 3maa h THR 512 Ca -0.06 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.17 3maa h THR 512 Cb 0.51 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 3maa h THR 512 CO 0.09 0.01 0.10 0.25 0.37 0.00 0.00 175.52 176.35 3maa h LEU 513 N 0.07 0.03 -0.26 2.58 5.85 0.45 0.40 115.31 124.43 3maa h LEU 513 Ca 0.47 0.08 0.01 0.00 0.84 0.00 0.00 57.88 59.28 3maa h LEU 513 Cb 0.88 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3maa h LEU 513 CO -0.77 0.05 0.15 0.00 -0.34 0.00 0.00 178.44 177.53 3maa h ALA 514 N 1.35 0.32 -0.23 1.25 0.00 0.18 -2.00 119.26 120.13 3maa h ALA 514 Ca 0.23 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3maa h ALA 514 Cb 0.28 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3maa h ALA 514 CO -0.29 -0.24 -0.13 -0.97 0.00 0.00 0.00 179.25 177.62 3maa h ASN 515 N 0.31 -0.43 0.06 0.00 -0.00 -0.31 0.16 115.58 115.36 3maa h ASN 515 Ca 0.10 0.10 0.00 0.00 -0.00 0.00 0.00 56.30 56.50 3maa h ASN 515 Cb 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 38.32 38.55 3maa h ASN 515 CO -0.05 -0.17 0.00 1.41 -0.00 0.00 0.00 177.43 178.62 3maa n HIS 516 N -5.29 0.00 0.25 0.67 8.25 0.13 -0.63 115.22 118.60 3maa n HIS 516 Ca -0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.52 3maa n HIS 516 Cb 0.21 -0.18 -0.10 0.00 1.12 0.00 0.00 29.99 31.04 3maa n HIS 516 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3maa n MET 517 N -1.18 1.09 -0.21 -0.41 2.81 0.44 -2.35 117.12 117.31 3maa n MET 517 Ca 0.03 -0.09 -0.09 0.00 -1.81 0.00 0.00 57.70 55.75 3maa n MET 517 Cb 0.03 -1.30 0.02 0.00 -0.71 0.00 0.00 33.22 31.27 3maa n MET 517 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3maa h GLU 518 N 0.00 1.00 0.08 0.03 4.22 0.25 -2.35 114.58 117.82 3maa h GLU 518 Ca 0.00 -0.28 -0.00 0.00 0.08 0.00 0.00 59.36 59.15 3maa h GLU 518 Cb 0.56 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3maa h GLU 518 CO 0.00 0.96 -0.04 0.00 -2.18 0.00 0.00 179.01 177.75 3maa h ALA 519 N 1.01 -0.11 -0.77 2.92 0.00 -1.26 -3.18 119.26 117.86 3maa h ALA 519 Ca 0.18 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.68 3maa h ALA 519 Cb 0.46 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.07 3maa h ALA 519 CO 0.02 -0.55 0.47 0.41 0.00 0.00 0.00 179.25 179.60 3maa n GLY 520 N -1.07 3.88 1.69 0.00 0.00 -0.99 -4.87 105.19 103.82 3maa n GLY 520 Ca -0.08 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 3maa n GLY 520 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3maa n GLY 521 N -0.68 -0.26 3.12 -0.02 0.00 -0.89 -4.74 105.19 101.71 3maa n GLY 521 Ca 0.46 -1.84 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 3maa n GLY 521 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3maa s LYS 522 N -3.91 0.77 0.12 1.61 2.20 -1.26 -5.07 119.74 114.19 3maa s LYS 522 Ca 0.31 -0.77 -0.31 0.00 -0.36 0.00 0.00 55.97 54.84 3maa s LYS 522 Cb -0.01 -0.72 -0.17 0.00 -1.51 0.00 0.00 37.83 35.42 3maa s LYS 522 CO 0.21 0.17 0.70 0.00 -0.36 0.00 0.00 175.35 176.06 3maa n ALA 523 N 1.70 -3.06 -3.84 3.13 0.00 -1.26 -2.14 120.51 115.03 3maa n ALA 523 Ca -0.20 0.48 -0.28 0.00 0.00 0.00 0.00 53.44 53.44 3maa n ALA 523 Cb 0.55 -1.59 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 3maa n ALA 523 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3maa n GLY 524 N 1.72 -0.43 3.00 0.00 0.00 0.82 -4.89 105.19 105.41 3maa n GLY 524 Ca 0.18 0.05 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 3maa n GLY 524 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3maa s ARG 525 N -6.45 0.44 -0.14 1.61 1.81 -0.91 -5.03 118.95 110.28 3maa s ARG 525 Ca 0.56 -0.45 -0.20 0.00 -1.72 0.00 0.00 55.73 53.92 3maa s ARG 525 Cb -0.32 -0.31 -0.03 0.00 -0.45 0.00 0.00 34.95 33.83 3maa s ARG 525 CO 0.68 0.07 0.57 0.42 -0.68 0.00 0.00 175.30 176.36 3maa s ILE 526 N -0.74 5.10 -0.04 1.52 1.01 -1.26 -3.50 121.20 123.30 3maa s ILE 526 Ca -0.04 1.12 -0.03 0.00 0.00 0.00 0.00 60.65 61.70 3maa s ILE 526 Cb -0.06 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3maa s ILE 526 CO 0.00 0.23 0.15 -2.28 0.00 0.00 0.00 174.94 173.04 3maa s HIS 527 N 1.14 3.50 -0.01 3.97 2.46 -1.15 -3.32 115.29 121.89 3maa s HIS 527 Ca 0.29 0.37 -0.19 0.00 0.47 0.00 0.00 55.06 55.99 3maa s HIS 527 Cb -0.16 -1.84 0.04 0.00 -0.13 0.00 0.00 32.58 30.49 3maa s HIS 527 CO 0.12 0.65 0.42 0.96 -2.47 0.00 0.00 174.74 174.42 3maa s ILE 528 N -1.22 0.04 0.72 0.89 -5.25 -0.70 -1.32 121.20 114.36 3maa s ILE 528 Ca 0.23 -0.36 0.00 0.00 -0.99 0.00 0.00 60.65 59.53 3maa s ILE 528 Cb -0.12 -0.79 0.13 0.00 2.95 0.00 0.00 42.46 44.62 3maa s ILE 528 CO 0.14 -0.20 0.99 0.42 -1.79 0.00 0.00 174.94 174.51 3maa s THR 529 N -1.59 2.10 0.10 8.37 -4.23 -1.09 -1.09 115.64 118.20 3maa s THR 529 Ca -0.11 -0.63 -0.29 0.00 -1.18 0.00 0.00 61.69 59.49 3maa s THR 529 Cb -0.03 -2.47 -0.11 0.00 1.34 0.00 0.00 72.50 71.23 3maa s THR 529 CO 0.04 0.00 1.47 0.07 -0.54 0.00 0.00 174.62 175.66 3maa h LYS 530 N -0.51 -0.48 -0.45 3.99 5.09 -1.89 -2.55 116.57 119.77 3maa h LYS 530 Ca -0.35 0.03 0.09 0.00 0.09 0.00 0.00 60.65 60.51 3maa h LYS 530 Cb 1.27 0.11 -0.08 0.00 0.10 0.00 0.00 32.23 33.63 3maa h LYS 530 CO 0.39 -0.32 -0.02 0.00 -2.09 0.00 0.00 179.45 177.41 3maa h ALA 531 N -0.49 0.40 0.00 0.07 0.00 -1.91 -2.32 119.26 115.01 3maa h ALA 531 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3maa h ALA 531 Cb 0.58 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3maa h ALA 531 CO -0.36 -0.40 0.00 1.15 0.00 0.00 0.00 179.25 179.63 3maa h THR 532 N 0.09 0.00 -0.24 0.00 2.02 -1.82 0.22 112.91 113.17 3maa h THR 532 Ca 0.22 -0.35 -0.18 0.00 0.77 0.00 0.00 66.41 66.87 3maa h THR 532 Cb 0.33 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3maa h THR 532 CO -0.39 0.00 -0.56 0.25 0.37 0.00 0.00 175.52 175.19 3maa h LEU 533 N 0.00 0.83 -0.90 2.58 5.85 -0.99 -3.29 115.31 119.39 3maa h LEU 533 Ca 0.00 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 3maa h LEU 533 Cb 0.37 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3maa h LEU 533 CO 0.00 1.22 -0.30 0.28 -0.34 0.00 0.00 178.44 179.30 3maa h SER 534 N 0.57 0.00 -0.54 1.25 0.02 -0.46 -2.05 113.55 112.34 3maa h SER 534 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3maa h SER 534 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3maa h SER 534 CO 0.12 0.30 0.00 -1.22 -1.14 0.00 0.00 176.83 174.89 3maa n TYR 535 N -3.41 0.74 -0.09 3.45 4.01 -0.84 -4.31 117.16 116.71 3maa n TYR 535 Ca 0.00 -0.37 -0.12 0.00 -0.16 0.00 0.00 57.90 57.26 3maa n TYR 535 Cb 0.49 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.42 3maa n TYR 535 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3maa n LEU 536 N 1.08 2.24 -3.70 7.72 7.94 -0.78 -4.47 117.00 127.04 3maa n LEU 536 Ca 0.18 -0.08 -0.21 0.00 -1.11 0.00 0.00 56.01 54.79 3maa n LEU 536 Cb 0.47 -0.42 0.03 0.00 0.53 0.00 0.00 43.42 44.02 3maa n LEU 536 CO 0.13 0.72 -0.07 0.59 -1.11 0.00 0.00 177.39 177.65 3maa n ASN 537 N -2.95 -1.17 -3.18 1.96 4.13 -1.21 -4.06 115.26 108.79 3maa n ASN 537 Ca -0.32 -0.82 -0.00 0.00 1.68 0.00 0.00 54.58 55.11 3maa n ASN 537 Cb 0.90 -4.05 0.00 0.00 -1.54 0.00 0.00 39.78 35.09 3maa n ASN 537 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3maa n GLY 538 N -1.58 -0.01 0.43 7.41 0.00 -1.26 -4.70 105.19 105.48 3maa n GLY 538 Ca -0.30 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.86 3maa n GLY 538 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3maa n ASP 539 N 0.72 1.40 -4.40 1.61 8.00 -1.26 -4.90 116.55 117.72 3maa n ASP 539 Ca -0.00 -1.37 -0.32 0.00 0.71 0.00 0.00 54.79 53.81 3maa n ASP 539 Cb 0.00 0.03 -0.14 0.00 -0.02 0.00 0.00 41.12 40.99 3maa n ASP 539 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3maa s TYR 540 N -2.11 2.55 -0.16 1.24 1.51 -1.26 -5.11 117.35 114.02 3maa s TYR 540 Ca 0.35 -0.30 -0.24 0.00 -1.01 0.00 0.00 57.07 55.87 3maa s TYR 540 Cb 0.21 -1.58 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 3maa s TYR 540 CO 0.37 0.07 0.74 -2.00 -1.11 0.00 0.00 175.55 173.63 3maa s GLU 541 N -0.63 4.30 0.22 -0.62 2.56 -1.26 -5.02 118.70 118.24 3maa s GLU 541 Ca 0.10 0.87 0.04 0.00 0.00 0.00 0.00 54.97 55.97 3maa s GLU 541 Cb -0.11 -3.55 -0.01 0.00 2.00 0.00 0.00 34.13 32.46 3maa s GLU 541 CO 0.00 -0.23 0.14 1.33 -0.56 0.00 0.00 175.26 175.95 3maa n VAL 542 N 4.55 0.00 -3.61 3.70 0.24 -1.26 0.45 118.33 122.39 3maa n VAL 542 Ca 0.02 -1.46 -0.07 0.00 -2.04 0.00 0.00 64.34 60.78 3maa n VAL 542 Cb 0.50 0.66 -0.02 0.00 -1.47 0.00 0.00 33.84 33.51 3maa n VAL 542 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3maa s GLU 543 N -2.86 1.13 0.14 7.34 1.03 -0.67 -4.87 118.70 119.94 3maa s GLU 543 Ca 0.20 -0.53 -0.31 0.00 0.03 0.00 0.00 54.97 54.36 3maa s GLU 543 Cb 0.01 0.45 -0.10 0.00 -0.80 0.00 0.00 34.13 33.69 3maa s GLU 543 CO 0.14 -0.51 1.71 -1.25 -1.33 0.00 0.00 175.26 174.03 3maa s PRO 544 N -3.37 4.16 -0.11 -4.83 0.04 -1.26 0.37 135.00 130.00 3maa s PRO 544 Ca 0.07 2.50 0.12 0.00 0.04 0.00 0.00 61.00 63.74 3maa s PRO 544 Cb -0.02 -3.37 -0.24 0.00 0.04 0.00 0.00 34.50 30.92 3maa s PRO 544 CO -0.04 -0.75 0.42 0.41 0.04 0.00 0.00 177.00 177.08 3maa n GLY 545 N 4.02 -0.93 3.89 0.56 0.00 0.64 -4.68 105.19 108.69 3maa n GLY 545 Ca 0.16 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3maa n GLY 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3maa h GLY 547 N -1.05 0.00 -0.02 0.00 0.00 -1.84 -2.95 103.07 97.21 3maa h GLY 547 Ca -0.67 0.00 0.22 0.00 0.00 0.00 0.00 47.33 46.89 3maa h GLY 547 CO 0.42 0.00 0.80 -1.33 0.00 0.00 0.00 176.54 176.42 3maa h GLY 548 N 1.35 0.00 -3.33 4.60 0.00 -1.81 0.64 103.07 104.52 3maa h GLY 548 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 3maa h GLY 548 CO 0.01 0.00 0.33 -1.84 0.00 0.00 0.00 176.54 175.04 3maa n GLU 549 N -3.61 2.62 0.00 4.80 0.28 -1.11 -4.13 120.64 119.49 3maa n GLU 549 Ca 0.16 -2.32 0.00 0.00 -0.16 0.00 0.00 57.16 54.84 3maa n GLU 549 Cb 1.06 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.97 3maa n GLU 549 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3maa n ARG 550 N -0.34 0.00 -4.87 3.44 1.74 0.22 -5.11 116.66 111.74 3maa n ARG 550 Ca 0.37 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.19 3maa n ARG 550 Cb 1.25 -0.32 -0.16 0.00 -1.02 0.00 0.00 32.46 32.22 3maa n ARG 550 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3maa s ASN 551 N -4.71 2.22 0.00 0.55 3.84 -0.82 -4.94 114.94 111.07 3maa s ASN 551 Ca 0.00 -0.36 0.00 0.00 0.21 0.00 0.00 52.86 52.71 3maa s ASN 551 Cb 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 41.25 40.14 3maa s ASN 551 CO 0.00 0.17 0.52 0.00 -2.79 0.00 0.00 177.10 175.00 3maa n ALA 552 N 3.05 -0.01 -0.38 1.71 0.00 -1.26 -3.05 120.51 120.57 3maa n ALA 552 Ca -0.17 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.56 3maa n ALA 552 Cb 0.53 0.12 0.45 0.00 0.00 0.00 0.00 19.45 20.55 3maa n ALA 552 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3maa n TYR 553 N -0.79 0.00 0.00 0.00 4.19 -1.26 -1.07 117.16 118.23 3maa n TYR 553 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 3maa n TYR 553 Cb 0.00 -0.27 0.00 0.00 0.49 0.00 0.00 39.34 39.56 3maa n TYR 553 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 3maa n LEU 554 N -3.02 1.05 -0.03 2.98 4.77 -1.17 -2.60 117.00 118.97 3maa n LEU 554 Ca 0.24 0.39 -0.01 0.00 -0.03 0.00 0.00 56.01 56.61 3maa n LEU 554 Cb 1.16 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 42.12 3maa n LEU 554 CO 0.24 -0.12 0.26 1.17 -1.33 0.00 0.00 177.39 177.62 3maa n LYS 555 N -0.86 -0.03 0.27 3.23 3.00 -0.23 -0.90 118.16 122.63 3maa n LYS 555 Ca 0.00 0.57 0.14 0.00 -0.00 0.00 0.00 58.31 59.02 3maa n LYS 555 Cb 0.00 -0.85 0.75 0.00 0.00 0.00 0.00 35.03 34.94 3maa n LYS 555 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3maa h GLU 556 N 0.00 0.00 -0.22 1.64 5.08 -1.49 0.51 114.58 120.10 3maa h GLU 556 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3maa h GLU 556 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3maa h GLU 556 CO -0.07 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.66 3maa n HIS 557 N -2.64 0.50 -3.01 4.33 8.25 -0.08 -5.01 115.22 117.57 3maa n HIS 557 Ca -0.02 -0.70 -0.13 0.00 -0.26 0.00 0.00 57.72 56.62 3maa n HIS 557 Cb 0.27 -0.15 0.06 0.00 1.12 0.00 0.00 29.99 31.29 3maa n HIS 557 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3maa n SER 558 N -0.26 -4.07 -4.57 0.41 7.64 0.17 -4.99 113.62 107.95 3maa n SER 558 Ca 0.14 -0.53 -0.36 0.00 1.01 0.00 0.00 58.87 59.12 3maa n SER 558 Cb 0.59 -4.23 -0.11 0.00 -1.01 0.00 0.00 64.21 59.45 3maa n SER 558 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3maa s ILE 559 N -3.30 4.83 -0.30 0.44 -1.09 -1.12 -5.06 121.20 115.60 3maa s ILE 559 Ca 0.20 -0.00 -0.18 0.00 -2.23 0.00 0.00 60.65 58.44 3maa s ILE 559 Cb -0.03 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.60 3maa s ILE 559 CO 0.59 0.37 0.51 -1.61 -1.23 0.00 0.00 174.94 173.56 3maa s GLU 560 N 1.10 3.88 0.19 2.79 2.02 -1.26 -4.61 118.70 122.81 3maa s GLU 560 Ca 0.05 0.10 0.10 0.00 0.02 0.00 0.00 54.97 55.24 3maa s GLU 560 Cb -0.14 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.33 3maa s GLU 560 CO 0.04 -0.47 -0.13 0.95 0.02 0.00 0.00 175.26 175.66 3maa s THR 561 N 2.34 2.96 0.03 3.63 -4.23 -1.26 -2.65 115.64 116.46 3maa s THR 561 Ca 0.20 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 3maa s THR 561 Cb -0.15 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.20 3maa s THR 561 CO 0.11 -0.13 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.67 3maa s PHE 562 N -1.74 0.39 0.40 3.99 0.40 -0.25 -0.26 117.98 120.90 3maa s PHE 562 Ca 0.24 -0.65 0.08 0.00 -0.60 0.00 0.00 56.93 56.00 3maa s PHE 562 Cb -0.08 -0.27 -0.05 0.00 0.51 0.00 0.00 43.02 43.13 3maa s PHE 562 CO 0.14 -0.21 0.19 -0.51 0.70 0.00 0.00 175.22 175.53 3maa s LEU 563 N -1.83 3.17 -0.06 -0.37 1.43 0.16 -1.72 118.68 119.46 3maa s LEU 563 Ca -0.10 -0.99 0.05 0.00 -1.03 0.00 0.00 54.13 52.07 3maa s LEU 563 Cb -0.06 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 3maa s LEU 563 CO -0.03 -0.51 -0.21 -0.63 0.23 0.00 0.00 176.35 175.21 3maa s ILE 564 N -2.55 2.47 -2.97 -0.59 1.01 -1.21 -1.68 121.20 115.68 3maa s ILE 564 Ca 0.41 -0.92 0.24 0.00 0.00 0.00 0.00 60.65 60.38 3maa s ILE 564 Cb 0.02 -1.93 0.21 0.00 0.01 0.00 0.00 42.46 40.77 3maa s ILE 564 CO 0.23 0.57 1.29 0.18 0.00 0.00 0.00 174.94 177.21