#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avw s PHE 502 N 0.00 3.25 0.17 2.11 0.08 -1.26 -0.89 117.98 121.44 1avw s PHE 502 Ca 0.00 1.51 -0.30 0.00 0.12 0.00 0.00 56.93 58.26 1avw s PHE 502 Cb 0.00 -3.53 -0.08 0.00 -0.57 0.00 0.00 43.02 38.84 1avw s PHE 502 CO 0.00 -1.37 1.34 0.08 -0.10 0.00 0.00 175.22 175.17 1avw s VAL 503 N -1.10 3.24 -0.02 -0.44 1.01 -0.10 -4.81 120.40 118.19 1avw s VAL 503 Ca 0.48 0.97 0.03 0.00 0.00 0.00 0.00 61.98 63.45 1avw s VAL 503 Cb -0.37 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1avw s VAL 503 CO 0.48 0.12 -0.09 -0.76 0.00 0.00 0.00 175.10 174.85 1avw s LEU 504 N 0.34 3.04 0.00 3.92 1.43 -1.26 -0.44 118.68 125.71 1avw s LEU 504 Ca 0.60 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.45 1avw s LEU 504 Cb -0.37 -1.71 0.14 0.00 0.03 0.00 0.00 46.19 44.29 1avw s LEU 504 CO 0.35 0.31 0.74 -0.90 0.23 0.00 0.00 176.35 177.09 1avw n ASP 505 N 1.88 -0.29 -0.15 2.29 5.68 0.97 -4.62 116.55 122.31 1avw n ASP 505 Ca -0.16 -1.20 0.12 0.00 -0.50 0.00 0.00 54.79 53.05 1avw n ASP 505 Cb 0.53 -0.58 0.65 0.00 -1.14 0.00 0.00 41.12 40.57 1avw n ASP 505 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1avw n ASN 506 N -3.61 0.46 -1.10 -1.12 0.23 0.32 -1.36 115.26 109.08 1avw n ASN 506 Ca 0.09 -1.34 0.11 0.00 -0.53 0.00 0.00 54.58 52.91 1avw n ASN 506 Cb 0.33 -0.02 0.20 0.00 -2.08 0.00 0.00 39.78 38.22 1avw n ASN 506 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1avw n GLU 507 N -0.55 2.44 -0.90 -3.83 1.02 -1.26 -4.97 120.64 112.59 1avw n GLU 507 Ca 0.18 -2.24 0.00 0.00 -0.02 0.00 0.00 57.16 55.08 1avw n GLU 507 Cb 0.16 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1avw n GLU 507 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1avw n GLY 508 N 1.41 0.56 3.87 0.62 0.00 -0.46 -5.05 105.19 106.14 1avw n GLY 508 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1avw n GLY 508 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1avw s ASN 509 N -2.03 6.53 0.41 1.61 0.01 -1.26 -4.78 114.94 115.43 1avw s ASN 509 Ca 0.00 0.62 -0.26 0.00 -0.71 0.00 0.00 52.86 52.51 1avw s ASN 509 Cb 0.00 -2.12 -0.10 0.00 0.41 0.00 0.00 41.25 39.44 1avw s ASN 509 CO 0.00 0.36 1.34 -2.65 -1.51 0.00 0.00 177.10 174.64 1avw n PRO 510 N 1.79 2.12 -2.10 -0.60 -0.02 -1.26 -0.02 135.00 134.91 1avw n PRO 510 Ca -0.17 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 1avw n PRO 510 Cb 0.54 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1avw n PRO 510 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1avw s LEU 511 N -1.87 4.40 0.04 2.45 1.43 0.42 -4.79 118.68 120.75 1avw s LEU 511 Ca 0.59 2.56 -0.30 0.00 -1.03 0.00 0.00 54.13 55.95 1avw s LEU 511 Cb -0.50 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 1avw s LEU 511 CO 0.59 -0.62 1.11 -1.61 0.23 0.00 0.00 176.35 176.06 1avw s GLU 512 N -0.39 4.48 -0.32 1.70 2.02 -1.26 -1.03 118.70 123.90 1avw s GLU 512 Ca 0.57 1.63 -0.28 0.00 0.02 0.00 0.00 54.97 56.91 1avw s GLU 512 Cb -0.40 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.41 1avw s GLU 512 CO 0.42 -0.17 1.96 1.21 0.02 0.00 0.00 175.26 178.70 1avw s ASN 513 N 1.03 5.66 0.00 -0.19 3.84 -0.47 -1.13 114.94 123.68 1avw s ASN 513 Ca 0.56 1.42 0.00 0.00 0.21 0.00 0.00 52.86 55.05 1avw s ASN 513 Cb -0.26 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 37.92 1avw s ASN 513 CO 0.29 -1.88 0.00 0.61 -2.79 0.00 0.00 177.10 173.33 1avw n GLY 514 N 5.57 0.59 3.90 1.21 0.00 0.95 -4.94 105.19 112.47 1avw n GLY 514 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 1avw n GLY 514 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1avw s GLY 515 N -1.16 1.61 -0.14 -0.02 0.00 -0.29 -4.70 107.32 102.62 1avw s GLY 515 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 44.72 44.09 1avw s GLY 515 CO 0.00 -0.16 -0.09 -1.59 0.00 0.00 0.00 173.10 171.26 1avw s THR 516 N -3.50 3.37 0.01 0.90 2.01 -1.26 -1.64 115.64 115.53 1avw s THR 516 Ca 0.61 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.08 1avw s THR 516 Cb -0.11 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 1avw s THR 516 CO 0.49 0.51 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.57 1avw s TYR 517 N 0.42 0.40 0.19 4.92 1.51 -0.24 -1.69 117.35 122.86 1avw s TYR 517 Ca -0.07 -0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 1avw s TYR 517 Cb -0.15 -0.25 -0.08 0.00 -0.11 0.00 0.00 41.96 41.37 1avw s TYR 517 CO 0.04 -0.06 1.08 0.71 -1.11 0.00 0.00 175.55 176.21 1avw s TYR 518 N -0.67 3.63 -0.50 2.71 2.02 0.13 -0.59 117.35 124.09 1avw s TYR 518 Ca -0.05 1.65 -0.14 0.00 -0.37 0.00 0.00 57.07 58.16 1avw s TYR 518 Cb -0.05 -3.24 0.11 0.00 -0.40 0.00 0.00 41.96 38.38 1avw s TYR 518 CO -0.00 -0.47 0.42 0.42 -1.57 0.00 0.00 175.55 174.35 1avw s ILE 519 N -0.41 4.91 0.14 2.71 1.01 -1.26 -0.94 121.20 127.37 1avw s ILE 519 Ca 0.48 -1.46 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1avw s ILE 519 Cb -0.29 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 1avw s ILE 519 CO 0.35 -0.76 0.20 -0.76 0.00 0.00 0.00 174.94 173.98 1avw s LEU 520 N 1.54 4.09 0.51 2.97 1.43 0.36 -2.43 118.68 127.15 1avw s LEU 520 Ca 0.04 0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 52.98 1avw s LEU 520 Cb -0.27 -2.69 -0.06 0.00 0.03 0.00 0.00 46.19 43.20 1avw s LEU 520 CO 0.03 0.08 1.18 -0.55 0.23 0.00 0.00 176.35 177.32 1avw s SER 521 N -3.06 5.79 0.34 2.29 0.15 -1.25 -0.71 113.70 117.25 1avw s SER 521 Ca 0.33 2.33 0.16 0.00 0.70 0.00 0.00 55.95 59.46 1avw s SER 521 Cb -0.11 -2.60 0.57 0.00 -1.71 0.00 0.00 66.02 62.17 1avw s SER 521 CO 0.26 -1.18 1.69 -2.24 1.20 0.00 0.00 173.24 172.97 1avw h ASP 522 N 1.55 0.00 -2.29 5.45 2.03 -1.74 -3.41 116.42 118.00 1avw h ASP 522 Ca -0.50 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.31 1avw h ASP 522 Cb 1.27 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.75 1avw h ASP 522 CO 0.58 0.45 -0.45 0.27 -1.03 0.00 0.00 179.24 179.06 1avw s ILE 523 N -3.60 5.17 -2.00 4.15 -4.36 -1.26 -5.00 121.20 114.29 1avw s ILE 523 Ca -0.00 -0.96 0.17 0.00 -0.26 0.00 0.00 60.65 59.59 1avw s ILE 523 Cb 0.11 -3.77 0.47 0.00 1.25 0.00 0.00 42.46 40.53 1avw s ILE 523 CO 0.71 -0.27 1.48 0.35 0.24 0.00 0.00 174.94 177.45 1avw n THR 524 N -1.15 0.00 0.09 8.37 -2.24 -1.26 -3.86 114.28 114.23 1avw n THR 524 Ca -0.08 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.64 1avw n THR 524 Cb 0.56 -0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 68.32 1avw n THR 524 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1avw h ALA 525 N 3.20 0.59 -2.14 6.98 0.00 -1.96 -3.47 119.26 122.46 1avw h ALA 525 Ca 0.00 -0.77 -0.44 0.00 0.00 0.00 0.00 54.91 53.70 1avw h ALA 525 Cb 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 17.52 1avw h ALA 525 CO 0.00 1.04 -0.68 -0.06 0.00 0.00 0.00 179.25 179.55 1avw s PHE 526 N -3.08 1.76 0.00 0.00 0.08 -1.25 -4.64 117.98 110.85 1avw s PHE 526 Ca -0.00 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.31 1avw s PHE 526 Cb 0.11 -0.97 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 1avw s PHE 526 CO 0.80 0.20 0.00 0.41 -0.10 0.00 0.00 175.22 176.53 1avw n GLY 527 N -0.48 0.54 0.13 4.36 0.00 -0.28 -4.60 105.19 104.86 1avw n GLY 527 Ca -0.06 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 1avw n GLY 527 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avw n GLY 528 N 5.00 0.47 3.76 -0.02 0.00 0.27 -3.93 105.19 110.74 1avw n GLY 528 Ca 0.00 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 1avw n GLY 528 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1avw s ILE 529 N -0.06 5.08 0.00 -0.61 -1.09 -1.02 -0.99 121.20 122.51 1avw s ILE 529 Ca 0.02 1.00 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1avw s ILE 529 Cb -0.00 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1avw s ILE 529 CO 0.02 0.41 0.00 -2.11 -1.23 0.00 0.00 174.94 172.02 1avw n ARG 530 N 3.02 0.00 -4.83 2.79 1.85 -0.44 -0.59 116.66 118.46 1avw n ARG 530 Ca -0.09 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.45 1avw n ARG 530 Cb 0.52 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.79 1avw n ARG 530 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1avw s ALA 531 N -1.62 2.49 -0.03 2.89 0.00 -1.26 -1.13 121.76 123.10 1avw s ALA 531 Ca 0.00 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 1avw s ALA 531 Cb 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1avw s ALA 531 CO 0.00 0.56 0.18 0.00 0.00 0.00 0.00 175.76 176.50 1avw s ALA 532 N -0.83 -0.45 0.41 0.00 0.00 0.18 -4.92 121.76 116.15 1avw s ALA 532 Ca 0.13 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 52.05 1avw s ALA 532 Cb -0.10 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 22.86 1avw s ALA 532 CO 0.03 -0.17 1.12 -1.25 0.00 0.00 0.00 175.76 175.49 1avw s PRO 533 N -0.78 4.06 0.01 0.00 0.04 -1.25 -1.03 135.00 136.04 1avw s PRO 533 Ca -0.09 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.62 1avw s PRO 533 Cb -0.05 -2.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 1avw s PRO 533 CO 0.01 -0.28 0.05 -0.08 0.04 0.00 0.00 177.00 176.75 1avw s THR 534 N -1.52 0.08 0.00 1.26 -1.32 -1.26 -4.93 115.64 107.95 1avw s THR 534 Ca 0.58 -0.70 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1avw s THR 534 Cb -0.27 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.41 1avw s THR 534 CO 0.34 -0.38 0.00 0.61 -2.21 0.00 0.00 174.62 172.97 1avw n GLY 535 N 1.74 3.80 1.67 6.08 0.00 -1.26 -1.83 105.19 115.39 1avw n GLY 535 Ca -0.22 0.06 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1avw n GLY 535 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1avw n ASN 536 N 6.34 5.00 -4.75 1.61 3.02 -1.26 -4.94 115.26 120.29 1avw n ASN 536 Ca 0.00 -2.57 -0.41 0.00 -0.03 0.00 0.00 54.58 51.56 1avw n ASN 536 Cb 0.00 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.54 1avw n ASN 536 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1avw s GLU 537 N -2.10 4.25 0.00 3.52 2.02 -0.76 -4.92 118.70 120.70 1avw s GLU 537 Ca 0.52 2.34 0.16 0.00 0.02 0.00 0.00 54.97 58.01 1avw s GLU 537 Cb 0.35 -3.10 0.13 0.00 0.10 0.00 0.00 34.13 31.62 1avw s GLU 537 CO 0.22 -0.45 1.01 2.89 0.02 0.00 0.00 175.26 178.96 1avw n ARG 538 N 2.27 1.25 -4.38 1.61 1.85 -1.26 -4.51 116.66 113.49 1avw n ARG 538 Ca 0.07 -1.47 -0.21 0.00 -1.00 0.00 0.00 57.85 55.24 1avw n ARG 538 Cb 0.40 -1.31 -0.10 0.00 -1.05 0.00 0.00 32.46 30.40 1avw n ARG 538 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1avw s PRO 540 N -3.47 2.76 0.00 0.00 0.04 -1.26 -3.93 135.00 129.14 1avw s PRO 540 Ca 0.24 -0.76 0.12 0.00 0.04 0.00 0.00 61.00 60.64 1avw s PRO 540 Cb -0.03 -5.18 -0.07 0.00 0.04 0.00 0.00 34.50 29.26 1avw s PRO 540 CO 0.09 -3.33 0.61 1.28 0.04 0.00 0.00 177.00 175.69 1avw n LEU 541 N 13.09 0.96 -4.72 -3.56 4.77 -1.17 -4.45 117.00 121.92 1avw n LEU 541 Ca 0.41 -0.63 -0.35 0.00 -0.03 0.00 0.00 56.01 55.41 1avw n LEU 541 Cb 0.47 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 1avw n LEU 541 CO 0.64 0.20 -0.19 -0.89 -1.33 0.00 0.00 177.39 175.82 1avw s THR 542 N -1.87 5.28 -0.24 -5.08 2.01 -0.19 -1.44 115.64 114.11 1avw s THR 542 Ca 0.07 0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.95 1avw s THR 542 Cb 0.10 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1avw s THR 542 CO 0.41 0.46 0.94 -0.69 -0.69 0.00 0.00 174.62 175.04 1avw s VAL 543 N 0.26 4.75 0.10 3.82 1.01 -1.04 -0.64 120.40 128.66 1avw s VAL 543 Ca 0.07 1.80 0.04 0.00 0.00 0.00 0.00 61.98 63.89 1avw s VAL 543 Cb -0.11 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1avw s VAL 543 CO -0.01 -0.13 -0.10 0.68 0.00 0.00 0.00 175.10 175.54 1avw s VAL 544 N 3.03 0.93 -0.26 2.92 -7.23 -0.29 -1.57 120.40 117.94 1avw s VAL 544 Ca 0.39 -1.70 -0.18 0.00 -1.81 0.00 0.00 61.98 58.68 1avw s VAL 544 Cb -0.15 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 1avw s VAL 544 CO 0.07 -0.61 0.51 -1.58 -0.31 0.00 0.00 175.10 173.18 1avw s GLN 545 N -2.97 4.07 0.31 4.82 0.74 -0.02 -1.33 119.66 125.27 1avw s GLN 545 Ca 0.07 0.31 -0.29 0.00 0.05 0.00 0.00 55.36 55.49 1avw s GLN 545 Cb -0.02 -3.65 -0.12 0.00 1.10 0.00 0.00 33.01 30.32 1avw s GLN 545 CO -0.00 -0.35 1.45 0.45 -0.55 0.00 0.00 175.29 176.29 1avw n SER 546 N 5.52 3.29 0.06 6.67 2.88 -0.16 -4.35 113.62 127.53 1avw n SER 546 Ca -0.04 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.80 1avw n SER 546 Cb 0.50 -1.53 0.24 0.00 -0.75 0.00 0.00 64.21 62.67 1avw n SER 546 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1avw n ARG 547 N 1.40 0.24 -2.64 -1.46 1.74 -1.26 -1.13 116.66 113.55 1avw n ARG 547 Ca 0.07 0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 56.82 1avw n ARG 547 Cb 0.36 -1.68 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 1avw n ARG 547 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1avw s ASN 548 N -4.09 6.85 0.53 0.55 2.47 -1.26 -4.55 114.94 115.43 1avw s ASN 548 Ca 0.08 0.88 0.22 0.00 0.42 0.00 0.00 52.86 54.47 1avw s ASN 548 Cb 0.14 -2.54 1.42 0.00 -1.45 0.00 0.00 41.25 38.82 1avw s ASN 548 CO 0.69 -0.96 2.13 -0.33 -3.72 0.00 0.00 177.10 174.91 1avw h GLU 549 N 8.37 0.00 0.00 0.43 3.07 -1.82 -0.41 114.58 124.22 1avw h GLU 549 Ca -0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 1avw h GLU 549 Cb 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1avw h GLU 549 CO 1.05 0.07 -0.10 1.28 -1.40 0.00 0.00 179.01 179.91 1avw n LEU 550 N -4.09 0.46 -4.61 1.33 7.99 -1.26 -4.51 117.00 112.31 1avw n LEU 550 Ca -0.03 0.47 -0.43 0.00 -0.01 0.00 0.00 56.01 56.02 1avw n LEU 550 Cb 0.15 -0.37 -0.03 0.00 -0.11 0.00 0.00 43.42 43.06 1avw n LEU 550 CO 0.32 -0.08 0.81 -0.62 -1.51 0.00 0.00 177.39 176.31 1avw s ASP 551 N -3.80 6.71 0.41 -1.43 2.15 -0.17 -4.91 116.67 115.64 1avw s ASP 551 Ca 0.12 0.63 0.21 0.00 0.43 0.00 0.00 52.55 53.94 1avw s ASP 551 Cb 0.15 -2.48 0.83 0.00 -0.30 0.00 0.00 42.92 41.13 1avw s ASP 551 CO 0.59 -0.90 1.80 0.11 -0.17 0.00 0.00 175.17 176.60 1avw h LYS 552 N 8.50 0.00 0.00 4.34 1.79 -1.87 0.79 116.57 130.11 1avw h LYS 552 Ca -0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1avw h LYS 552 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1avw h LYS 552 CO 1.00 0.29 0.00 0.41 -1.08 0.00 0.00 179.45 180.07 1avw n GLY 553 N 0.12 -1.85 3.82 3.86 0.00 -1.26 -3.71 105.19 106.17 1avw n GLY 553 Ca -0.00 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 1avw n GLY 553 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1avw s ILE 554 N 0.00 5.24 0.20 -0.61 1.01 0.24 -4.94 121.20 122.34 1avw s ILE 554 Ca 0.00 0.11 -0.32 0.00 0.00 0.00 0.00 60.65 60.44 1avw s ILE 554 Cb 0.00 -3.28 -0.13 0.00 0.01 0.00 0.00 42.46 39.06 1avw s ILE 554 CO 0.00 0.60 1.66 0.61 0.00 0.00 0.00 174.94 177.81 1avw n GLY 555 N 2.21 1.38 3.41 6.18 0.00 -1.26 -4.67 105.19 112.44 1avw n GLY 555 Ca -0.19 0.61 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 1avw n GLY 555 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1avw s THR 556 N 0.96 3.31 -0.31 2.61 2.01 0.24 -0.43 115.64 124.03 1avw s THR 556 Ca 0.75 -0.57 -0.24 0.00 0.31 0.00 0.00 61.69 61.94 1avw s THR 556 Cb -0.56 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 69.55 1avw s THR 556 CO 0.36 0.52 0.82 -0.63 -0.69 0.00 0.00 174.62 175.00 1avw s ILE 557 N 0.31 4.76 -0.25 1.82 1.01 0.12 -1.08 121.20 127.88 1avw s ILE 557 Ca -0.08 1.22 -0.06 0.00 0.00 0.00 0.00 60.65 61.73 1avw s ILE 557 Cb -0.15 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 1avw s ILE 557 CO 0.05 -0.29 0.03 -0.63 0.00 0.00 0.00 174.94 174.09 1avw s ILE 558 N 3.05 3.83 0.03 2.92 1.01 -0.65 -2.10 121.20 129.29 1avw s ILE 558 Ca 0.34 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 1avw s ILE 558 Cb -0.14 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 1avw s ILE 558 CO 0.13 0.31 -0.01 -0.94 0.00 0.00 0.00 174.94 174.43 1avw s SER 559 N 1.53 0.27 0.02 3.58 1.04 -0.81 -0.04 113.70 119.30 1avw s SER 559 Ca 0.05 -0.59 0.06 0.00 0.48 0.00 0.00 55.95 55.95 1avw s SER 559 Cb -0.15 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 1avw s SER 559 CO 0.00 -0.38 -0.14 -0.55 0.98 0.00 0.00 173.24 173.15 1avw s SER 560 N -1.81 4.05 0.39 7.02 0.15 -1.26 -0.52 113.70 121.72 1avw s SER 560 Ca -0.10 -0.33 0.07 0.00 0.70 0.00 0.00 55.95 56.29 1avw s SER 560 Cb -0.05 -0.76 0.81 0.00 -1.71 0.00 0.00 66.02 64.30 1avw s SER 560 CO -0.03 0.27 2.00 1.55 1.20 0.00 0.00 173.24 178.23 1avw h PRO 561 N 4.60 0.64 -6.69 5.44 0.13 -1.97 -3.43 132.00 130.72 1avw h PRO 561 Ca -0.48 -0.04 -0.57 0.00 -0.87 0.00 0.00 66.00 64.04 1avw h PRO 561 Cb 1.16 -0.14 0.10 0.00 0.13 0.00 0.00 31.00 32.25 1avw h PRO 561 CO 0.50 0.42 0.50 0.66 -0.23 0.00 0.00 178.00 179.85 1avw n TYR 562 N -4.47 2.18 -0.85 1.56 4.01 -1.26 -4.89 117.16 113.45 1avw n TYR 562 Ca 0.08 0.54 -0.16 0.00 -0.16 0.00 0.00 57.90 58.19 1avw n TYR 562 Cb 0.17 -2.41 0.04 0.00 -0.31 0.00 0.00 39.34 36.83 1avw n TYR 562 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1avw n ARG 563 N 0.87 1.78 -3.06 -0.72 5.12 -1.26 -4.89 116.66 114.50 1avw n ARG 563 Ca 0.06 -1.52 -0.34 0.00 -1.93 0.00 0.00 57.85 54.12 1avw n ARG 563 Cb 0.35 -1.60 -0.06 0.00 -1.16 0.00 0.00 32.46 29.99 1avw n ARG 563 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1avw s ILE 564 N -2.21 4.57 0.21 0.55 2.07 -1.26 -5.00 121.20 120.13 1avw s ILE 564 Ca 0.30 1.18 -0.04 0.00 -1.41 0.00 0.00 60.65 60.67 1avw s ILE 564 Cb 0.24 -3.70 0.03 0.00 0.13 0.00 0.00 42.46 39.15 1avw s ILE 564 CO -0.00 -0.08 1.62 -0.09 -1.91 0.00 0.00 174.94 174.48 1avw h ARG 565 N 2.58 0.76 -6.52 3.50 2.43 -1.95 -3.43 114.38 111.74 1avw h ARG 565 Ca -0.48 -0.32 -0.64 0.00 -0.81 0.00 0.00 59.98 57.73 1avw h ARG 565 Cb 1.18 -0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 30.53 1avw h ARG 565 CO 0.65 0.93 -0.80 -0.06 -1.51 0.00 0.00 179.97 179.17 1avw s PHE 566 N -4.57 2.34 -0.09 2.20 0.08 -1.26 -1.37 117.98 115.31 1avw s PHE 566 Ca -0.09 -0.34 -0.30 0.00 0.12 0.00 0.00 56.93 56.32 1avw s PHE 566 Cb 0.13 -1.13 -0.03 0.00 -0.57 0.00 0.00 43.02 41.42 1avw s PHE 566 CO 0.84 0.54 1.24 0.42 -0.10 0.00 0.00 175.22 178.15 1avw s ILE 567 N -1.83 4.23 0.05 0.64 -1.09 -0.20 -4.71 121.20 118.29 1avw s ILE 567 Ca 0.23 1.53 0.02 0.00 -2.23 0.00 0.00 60.65 60.20 1avw s ILE 567 Cb -0.07 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1avw s ILE 567 CO 0.11 -0.05 0.08 0.00 -1.23 0.00 0.00 174.94 173.86 1avw s ALA 568 N 2.67 3.57 0.24 9.38 0.00 -1.26 -0.92 121.76 135.45 1avw s ALA 568 Ca 0.56 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 1avw s ALA 568 Cb -0.24 -1.49 -0.14 0.00 0.00 0.00 0.00 23.12 21.25 1avw s ALA 568 CO 0.20 0.73 1.19 0.39 0.00 0.00 0.00 175.76 178.27 1avw n GLU 569 N 0.69 1.53 0.00 0.00 1.02 -0.06 -2.39 120.64 121.43 1avw n GLU 569 Ca -0.10 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1avw n GLU 569 Cb 0.52 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1avw n GLU 569 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1avw n GLY 570 N 1.70 2.66 3.77 0.62 0.00 -0.84 -4.93 105.19 108.16 1avw n GLY 570 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1avw n GLY 570 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1avw s HIS 571 N -2.19 3.23 0.30 1.61 3.76 -1.00 -4.95 115.29 116.03 1avw s HIS 571 Ca 0.00 1.60 -0.29 0.00 -0.15 0.00 0.00 55.06 56.22 1avw s HIS 571 Cb 0.00 -3.33 -0.10 0.00 1.11 0.00 0.00 32.58 30.26 1avw s HIS 571 CO 0.00 -1.02 1.43 -1.25 -0.85 0.00 0.00 174.74 173.05 1avw s PRO 572 N -2.12 4.25 0.14 8.40 0.04 -1.26 -4.45 135.00 140.00 1avw s PRO 572 Ca 0.54 2.36 0.07 0.00 0.04 0.00 0.00 61.00 64.00 1avw s PRO 572 Cb -0.30 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1avw s PRO 572 CO 0.37 -0.40 -0.16 -0.51 0.04 0.00 0.00 177.00 176.34 1avw s LEU 573 N -1.02 2.41 -0.07 -3.56 1.43 0.36 -4.18 118.68 114.04 1avw s LEU 573 Ca 0.56 -0.82 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1avw s LEU 573 Cb -0.43 -0.66 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 1avw s LEU 573 CO 0.49 -0.10 -0.16 -0.55 0.23 0.00 0.00 176.35 176.27 1avw s SER 574 N -2.50 3.85 -0.06 2.29 0.15 0.32 -2.49 113.70 115.26 1avw s SER 574 Ca 0.11 -0.29 0.04 0.00 0.70 0.00 0.00 55.95 56.52 1avw s SER 574 Cb -0.05 -1.04 -0.02 0.00 -1.71 0.00 0.00 66.02 63.20 1avw s SER 574 CO 0.04 0.28 -0.18 -0.76 1.20 0.00 0.00 173.24 173.83 1avw s LEU 575 N -0.35 2.50 -0.07 3.45 1.02 -1.26 -1.93 118.68 122.04 1avw s LEU 575 Ca 0.03 -0.32 -0.08 0.00 0.02 0.00 0.00 54.13 53.78 1avw s LEU 575 Cb -0.12 -1.50 0.02 0.00 0.02 0.00 0.00 46.19 44.60 1avw s LEU 575 CO 0.02 0.29 0.21 -1.59 0.02 0.00 0.00 176.35 175.30 1avw s LYS 576 N -0.38 0.30 0.29 1.70 -2.85 -0.89 -0.71 119.74 117.20 1avw s LYS 576 Ca 0.04 0.19 -0.29 0.00 -1.00 0.00 0.00 55.97 54.90 1avw s LYS 576 Cb -0.12 0.14 -0.10 0.00 -2.06 0.00 0.00 37.83 35.69 1avw s LYS 576 CO 0.02 -0.05 1.23 -0.06 0.10 0.00 0.00 175.35 176.60 1avw s PHE 577 N -0.14 3.27 1.04 1.78 0.08 -0.76 0.11 117.98 123.35 1avw s PHE 577 Ca -0.02 1.48 -0.11 0.00 0.12 0.00 0.00 56.93 58.39 1avw s PHE 577 Cb -0.02 -3.53 0.21 0.00 -0.57 0.00 0.00 43.02 39.11 1avw s PHE 577 CO 0.01 -1.40 1.08 0.34 -0.10 0.00 0.00 175.22 175.15 1avw s ASP 578 N -0.48 2.00 0.23 1.36 2.15 0.43 -4.82 116.67 117.53 1avw s ASP 578 Ca 0.49 1.82 -0.32 0.00 0.43 0.00 0.00 52.55 54.97 1avw s ASP 578 Cb -0.36 -2.42 -0.14 0.00 -0.30 0.00 0.00 42.92 39.70 1avw s ASP 578 CO 0.46 -3.62 1.39 -1.20 -0.17 0.00 0.00 175.17 172.03 1avw n SER 579 N -4.55 2.60 -4.20 -0.34 7.64 -1.26 -4.87 113.62 108.64 1avw n SER 579 Ca 0.07 1.14 -0.12 0.00 1.01 0.00 0.00 58.87 60.97 1avw n SER 579 Cb 0.53 -1.40 -0.10 0.00 -1.01 0.00 0.00 64.21 62.23 1avw n SER 579 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1avw s PHE 580 N -0.01 1.02 -0.05 1.43 -0.71 -1.26 -4.96 117.98 113.43 1avw s PHE 580 Ca 0.69 -1.03 -0.30 0.00 -1.04 0.00 0.00 56.93 55.25 1avw s PHE 580 Cb -0.68 -0.59 -0.03 0.00 -1.21 0.00 0.00 43.02 40.52 1avw s PHE 580 CO 0.49 -0.26 1.15 0.00 -1.34 0.00 0.00 175.22 175.26 1avw s ALA 581 N -3.73 3.45 0.26 1.99 0.00 -1.26 -5.04 121.76 117.43 1avw s ALA 581 Ca 0.20 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.81 1avw s ALA 581 Cb 0.06 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 1avw s ALA 581 CO 0.00 -0.68 -0.08 0.14 0.00 0.00 0.00 175.76 175.15 1avw s VAL 582 N 2.03 1.65 0.79 0.00 -7.23 -1.26 -5.13 120.40 111.25 1avw s VAL 582 Ca 0.54 -2.14 -0.12 0.00 -1.81 0.00 0.00 61.98 58.45 1avw s VAL 582 Cb -0.23 -2.35 0.07 0.00 0.56 0.00 0.00 36.38 34.43 1avw s VAL 582 CO 0.22 -0.37 1.14 0.27 -0.31 0.00 0.00 175.10 176.05 1avw s ILE 583 N -3.02 2.66 0.51 -0.62 -4.36 -1.26 -4.82 121.20 110.29 1avw s ILE 583 Ca 0.28 0.25 0.17 0.00 -0.26 0.00 0.00 60.65 61.09 1avw s ILE 583 Cb 0.03 -2.61 0.30 0.00 1.25 0.00 0.00 42.46 41.43 1avw s ILE 583 CO 0.11 -0.24 2.11 0.24 0.24 0.00 0.00 174.94 177.39 1avw h MET 584 N -1.02 0.05 0.00 0.37 2.86 -2.01 0.95 114.93 116.14 1avw h MET 584 Ca -0.45 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1avw h MET 584 Cb 1.26 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1avw h MET 584 CO 0.48 0.03 0.00 1.28 1.06 0.00 0.00 176.91 179.76 1avw n LEU 585 N -4.50 0.39 -0.22 1.22 4.77 -1.26 -2.97 117.00 114.43 1avw n LEU 585 Ca 0.00 0.61 0.03 0.00 -0.03 0.00 0.00 56.01 56.63 1avw n LEU 585 Cb 0.20 -0.58 0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1avw n LEU 585 CO 0.35 -0.52 0.33 0.00 -1.33 0.00 0.00 177.39 176.22 1avw n VAL 587 N 0.26 1.79 -0.54 0.00 0.31 -1.11 -2.74 118.33 116.30 1avw n VAL 587 Ca 0.03 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1avw n VAL 587 Cb 0.14 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 1avw n VAL 587 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1avw n GLY 588 N 0.91 0.75 3.71 2.92 0.00 -1.26 -5.03 105.19 107.19 1avw n GLY 588 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1avw n GLY 588 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1avw s ILE 589 N -2.52 2.82 0.33 -0.61 1.10 -1.11 -4.96 121.20 116.24 1avw s ILE 589 Ca 0.00 0.51 -0.29 0.00 -0.51 0.00 0.00 60.65 60.36 1avw s ILE 589 Cb 0.00 -3.33 -0.11 0.00 0.15 0.00 0.00 42.46 39.17 1avw s ILE 589 CO 0.00 0.03 1.54 -2.84 -2.11 0.00 0.00 174.94 171.56 1avw s PRO 590 N 1.59 4.12 0.00 3.50 0.02 -1.26 -4.89 135.00 138.08 1avw s PRO 590 Ca 0.71 2.57 0.11 0.00 0.02 0.00 0.00 61.00 64.41 1avw s PRO 590 Cb -0.42 -3.00 0.26 0.00 0.02 0.00 0.00 34.50 31.36 1avw s PRO 590 CO 0.31 -0.58 1.15 0.25 -0.33 0.00 0.00 177.00 177.80 1avw n THR 591 N 1.44 0.71 -2.20 0.99 -2.24 -1.26 0.51 114.28 112.24 1avw n THR 591 Ca 0.05 -0.86 -0.41 0.00 -2.27 0.00 0.00 64.05 60.56 1avw n THR 591 Cb 0.38 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 1avw n THR 591 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1avw s GLU 592 N -0.99 4.38 0.20 -0.78 8.01 -1.26 -1.82 118.70 126.43 1avw s GLU 592 Ca 0.21 2.08 -0.30 0.00 0.01 0.00 0.00 54.97 56.97 1avw s GLU 592 Cb 0.12 -3.18 -0.09 0.00 -4.31 0.00 0.00 34.13 26.67 1avw s GLU 592 CO 0.16 -0.25 1.27 -1.58 0.01 0.00 0.00 175.26 174.87 1avw s TRP 593 N -0.02 3.31 0.15 1.61 0.52 0.11 -4.32 118.94 120.31 1avw s TRP 593 Ca 0.56 1.30 0.06 0.00 0.02 0.00 0.00 56.10 58.04 1avw s TRP 593 Cb -0.37 -3.55 -0.04 0.00 -1.15 0.00 0.00 33.47 28.36 1avw s TRP 593 CO 0.40 -1.65 -0.13 -1.12 0.02 0.00 0.00 176.95 174.47 1avw s SER 594 N 0.23 2.06 -0.31 2.95 0.01 0.15 -4.80 113.70 114.01 1avw s SER 594 Ca 0.55 -0.94 -0.06 0.00 1.31 0.00 0.00 55.95 56.81 1avw s SER 594 Cb -0.35 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 65.84 1avw s SER 594 CO 0.38 -0.22 0.07 -0.69 0.41 0.00 0.00 173.24 173.19 1avw s VAL 595 N -2.81 3.71 -0.27 3.43 1.01 -1.26 -0.55 120.40 123.66 1avw s VAL 595 Ca 0.15 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 1avw s VAL 595 Cb -0.01 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1avw s VAL 595 CO 0.03 -0.01 0.24 -0.69 0.00 0.00 0.00 175.10 174.67 1avw s VAL 596 N 1.43 5.28 0.69 2.92 1.01 0.46 -0.26 120.40 131.93 1avw s VAL 596 Ca 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 61.98 62.19 1avw s VAL 596 Cb -0.18 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.67 1avw s VAL 596 CO 0.02 0.25 1.03 -0.70 0.00 0.00 0.00 175.10 175.69 1avw s GLU 597 N 1.68 2.51 -1.37 2.72 2.12 -1.23 -1.90 118.70 123.23 1avw s GLU 597 Ca 0.09 0.05 -0.10 0.00 0.36 0.00 0.00 54.97 55.38 1avw s GLU 597 Cb -0.15 -2.12 0.07 0.00 0.26 0.00 0.00 34.13 32.19 1avw s GLU 597 CO 0.09 -1.10 0.58 -0.25 -0.54 0.00 0.00 175.26 174.04 1avw n ASP 598 N -2.92 -4.05 -4.88 -1.70 10.43 -1.26 -4.92 116.55 107.24 1avw n ASP 598 Ca 0.07 -0.47 -0.29 0.00 2.57 0.00 0.00 54.79 56.67 1avw n ASP 598 Cb 0.59 -3.33 -0.01 0.00 1.84 0.00 0.00 41.12 40.21 1avw n ASP 598 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1avw s LEU 599 N -6.65 3.62 0.15 0.64 1.43 -1.25 -5.00 118.68 111.62 1avw s LEU 599 Ca 0.45 1.13 -0.28 0.00 -1.03 0.00 0.00 54.13 54.39 1avw s LEU 599 Cb -0.23 -4.08 -0.03 0.00 0.03 0.00 0.00 46.19 41.88 1avw s LEU 599 CO 0.55 -0.57 1.57 -0.65 0.23 0.00 0.00 176.35 177.47 1avw h PRO 600 N 0.52 -0.33 -1.21 1.29 0.11 -1.97 -1.23 132.00 129.18 1avw h PRO 600 Ca -0.46 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1avw h PRO 600 Cb 1.19 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 1avw h PRO 600 CO 0.62 -0.22 0.10 -0.85 -0.21 0.00 0.00 178.00 177.45 1avw n GLU 601 N -5.40 1.19 -0.10 1.05 -0.00 -1.26 -4.98 120.64 111.13 1avw n GLU 601 Ca -0.01 -0.44 0.01 0.00 -0.00 0.00 0.00 57.16 56.73 1avw n GLU 601 Cb 0.35 -1.17 -0.00 0.00 -0.00 0.00 0.00 31.44 30.62 1avw n GLU 601 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1avw n GLY 602 N 0.49 -1.38 3.68 -1.84 0.00 -0.47 -4.81 105.19 100.86 1avw n GLY 602 Ca 0.09 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1avw n GLY 602 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1avw s PRO 603 N -1.19 4.16 0.08 1.61 0.04 -1.26 -3.97 135.00 134.48 1avw s PRO 603 Ca 0.00 2.46 0.08 0.00 0.04 0.00 0.00 61.00 63.58 1avw s PRO 603 Cb 0.00 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 1avw s PRO 603 CO 0.00 -0.82 -0.16 0.00 0.04 0.00 0.00 177.00 176.06 1avw s ALA 604 N 3.15 2.71 -0.15 8.56 0.00 -0.80 -1.22 121.76 134.01 1avw s ALA 604 Ca 0.79 -1.26 -0.27 0.00 0.00 0.00 0.00 51.96 51.22 1avw s ALA 604 Cb -0.42 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 1avw s ALA 604 CO 0.35 0.60 0.91 0.08 0.00 0.00 0.00 175.76 177.69 1avw s VAL 605 N -1.07 4.83 0.10 0.00 1.01 -0.56 -0.41 120.40 124.31 1avw s VAL 605 Ca 0.17 1.80 0.04 0.00 0.00 0.00 0.00 61.98 63.99 1avw s VAL 605 Cb -0.11 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1avw s VAL 605 CO 0.09 0.00 -0.10 -0.54 0.00 0.00 0.00 175.10 174.55 1avw s LYS 606 N 2.19 0.87 0.00 2.72 -0.14 0.28 -2.51 119.74 123.16 1avw s LYS 606 Ca 0.42 -1.21 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 1avw s LYS 606 Cb -0.17 -0.51 0.00 0.00 -1.68 0.00 0.00 37.83 35.47 1avw s LYS 606 CO 0.14 0.07 0.00 0.44 -0.76 0.00 0.00 175.35 175.24 1avw n ILE 607 N 0.40 0.00 -2.96 2.17 -5.35 -0.52 0.34 119.36 113.44 1avw n ILE 607 Ca -0.15 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.37 1avw n ILE 607 Cb 0.58 -0.52 -0.01 0.00 -1.74 0.00 0.00 39.64 37.96 1avw n ILE 607 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1avw n GLY 608 N 5.00 -1.77 3.63 3.28 0.00 0.18 -4.75 105.19 110.76 1avw n GLY 608 Ca 0.00 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1avw n GLY 608 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1avw s GLU 609 N -0.63 4.09 -0.17 1.61 2.02 -1.26 -4.74 118.70 119.63 1avw s GLU 609 Ca 0.00 0.88 0.01 0.00 0.02 0.00 0.00 54.97 55.88 1avw s GLU 609 Cb 0.00 -3.69 0.03 0.00 0.10 0.00 0.00 34.13 30.57 1avw s GLU 609 CO 0.00 -0.65 -0.14 -0.80 0.02 0.00 0.00 175.26 173.68 1avw s ASN 610 N 1.48 2.96 0.31 -0.19 0.01 -1.26 -4.99 114.94 113.25 1avw s ASN 610 Ca 0.37 -0.62 0.15 0.00 -0.71 0.00 0.00 52.86 52.05 1avw s ASN 610 Cb -0.14 -1.26 0.36 0.00 0.41 0.00 0.00 41.25 40.62 1avw s ASN 610 CO 0.10 -0.07 1.58 0.11 -1.51 0.00 0.00 177.10 177.32 1avw h LYS 611 N 8.01 0.00 -0.01 -0.60 1.79 -2.01 -3.17 116.57 120.58 1avw h LYS 611 Ca -0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 1avw h LYS 611 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1avw h LYS 611 CO 0.54 0.51 -0.08 -3.47 -1.08 0.00 0.00 179.45 175.87 1avw n ASP 612 N -3.44 0.60 -4.62 0.86 4.64 -1.26 -4.94 116.55 108.39 1avw n ASP 612 Ca 0.00 -0.82 -0.48 0.00 -1.38 0.00 0.00 54.79 52.11 1avw n ASP 612 Cb 0.64 -0.04 -0.05 0.00 -1.04 0.00 0.00 41.12 40.63 1avw n ASP 612 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1avw n ALA 613 N -0.75 1.04 -1.76 -1.67 0.00 -1.20 -3.52 120.51 112.65 1avw n ALA 613 Ca 0.17 0.13 -0.40 0.00 0.00 0.00 0.00 53.44 53.34 1avw n ALA 613 Cb 0.27 -2.57 0.02 0.00 0.00 0.00 0.00 19.45 17.16 1avw n ALA 613 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1avw s MET 614 N 4.90 3.63 0.02 0.00 1.00 0.65 -4.97 119.30 124.54 1avw s MET 614 Ca 0.98 2.43 -0.30 0.00 0.00 0.00 0.00 55.69 58.79 1avw s MET 614 Cb -0.68 -2.63 -0.04 0.00 0.00 0.00 0.00 34.83 31.49 1avw s MET 614 CO 0.49 -0.86 1.05 -0.51 0.00 0.00 0.00 175.02 175.19 1avw s ASP 615 N -0.52 7.28 0.00 3.03 1.11 -1.26 -4.62 116.67 121.69 1avw s ASP 615 Ca 0.62 1.78 0.00 0.00 0.18 0.00 0.00 52.55 55.13 1avw s ASP 615 Cb -0.44 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 40.98 1avw s ASP 615 CO 0.56 -0.33 0.00 0.61 1.18 0.00 0.00 175.17 177.20 1avw n GLY 616 N 2.99 -1.93 3.25 0.21 0.00 -1.26 0.16 105.19 108.61 1avw n GLY 616 Ca 0.07 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 1avw n GLY 616 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1avw s TRP 617 N -2.17 1.72 0.60 1.61 0.52 0.46 -4.87 118.94 116.81 1avw s TRP 617 Ca 0.00 -0.39 -0.11 0.00 0.02 0.00 0.00 56.10 55.62 1avw s TRP 617 Cb 0.00 -1.00 -0.05 0.00 -1.15 0.00 0.00 33.47 31.28 1avw s TRP 617 CO 0.00 0.12 1.01 -0.06 0.02 0.00 0.00 176.95 178.04 1avw s PHE 618 N -0.93 3.60 0.06 -1.98 0.08 -1.04 -0.48 117.98 117.29 1avw s PHE 618 Ca 0.06 1.29 -0.05 0.00 0.12 0.00 0.00 56.93 58.35 1avw s PHE 618 Cb -0.09 -2.71 -0.02 0.00 -0.57 0.00 0.00 43.02 39.63 1avw s PHE 618 CO 0.02 -0.63 0.09 1.03 -0.10 0.00 0.00 175.22 175.64 1avw s ARG 619 N -5.01 0.67 -0.04 0.44 0.52 -0.45 -0.49 118.95 114.59 1avw s ARG 619 Ca 0.55 -0.94 0.01 0.00 -0.52 0.00 0.00 55.73 54.83 1avw s ARG 619 Cb -0.11 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.59 1avw s ARG 619 CO 0.50 -0.17 -0.05 -0.51 0.02 0.00 0.00 175.30 175.09 1avw s LEU 620 N -2.55 3.28 -0.01 2.53 1.43 -1.26 -1.07 118.68 121.02 1avw s LEU 620 Ca 0.01 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1avw s LEU 620 Cb 0.03 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1avw s LEU 620 CO -0.08 0.33 -0.05 -1.61 0.23 0.00 0.00 176.35 175.17 1avw s GLU 621 N -1.07 0.51 0.34 1.70 2.02 -0.76 -1.98 118.70 119.45 1avw s GLU 621 Ca 0.15 -0.18 -0.27 0.00 0.02 0.00 0.00 54.97 54.69 1avw s GLU 621 Cb -0.11 -0.50 -0.09 0.00 0.10 0.00 0.00 34.13 33.52 1avw s GLU 621 CO 0.04 0.09 1.09 0.50 0.02 0.00 0.00 175.26 177.00 1avw s ARG 622 N 0.05 4.37 -0.06 1.61 3.52 -1.26 -0.93 118.95 126.25 1avw s ARG 622 Ca -0.00 1.68 -0.02 0.00 -0.13 0.00 0.00 55.73 57.26 1avw s ARG 622 Cb -0.04 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1avw s ARG 622 CO -0.00 -0.00 -0.07 1.33 -0.81 0.00 0.00 175.30 175.75 1avw n VAL 623 N 0.53 0.34 -2.90 7.11 0.24 -0.27 -4.81 118.33 118.56 1avw n VAL 623 Ca 0.02 -0.10 -0.20 0.00 -2.04 0.00 0.00 64.34 62.03 1avw n VAL 623 Cb 0.47 -1.34 0.08 0.00 -1.47 0.00 0.00 33.84 31.58 1avw n VAL 623 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1avw n SER 624 N -3.11 1.78 0.00 -1.34 7.64 -1.12 -5.01 113.62 112.46 1avw n SER 624 Ca -0.12 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.42 1avw n SER 624 Cb 0.59 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1avw n SER 624 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1avw n GLU 627 N -2.38 0.00 -3.95 1.43 0.00 -1.26 -4.85 120.64 109.62 1avw n GLU 627 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 57.07 1avw n GLU 627 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.98 1avw n GLU 627 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1avw s PHE 628 N 0.00 3.47 -1.05 -1.84 0.08 -1.26 -5.06 117.98 112.32 1avw s PHE 628 Ca 0.00 0.09 -0.17 0.00 0.12 0.00 0.00 56.93 56.97 1avw s PHE 628 Cb 0.00 -1.64 0.15 0.00 -0.57 0.00 0.00 43.02 40.95 1avw s PHE 628 CO 0.00 0.50 1.26 -0.80 -0.10 0.00 0.00 175.22 176.08 1avw s ASN 629 N -3.36 6.81 0.04 1.36 0.01 -1.26 -4.98 114.94 113.56 1avw s ASN 629 Ca 0.34 -2.44 0.06 0.00 -0.71 0.00 0.00 52.86 50.12 1avw s ASN 629 Cb -0.11 -2.40 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 1avw s ASN 629 CO 0.28 -0.94 -0.15 0.20 -1.51 0.00 0.00 177.10 174.99 1avw s ASN 630 N 3.32 4.03 0.04 -1.22 0.01 -1.26 -4.58 114.94 115.28 1avw s ASN 630 Ca 0.37 -0.36 -0.01 0.00 -0.71 0.00 0.00 52.86 52.15 1avw s ASN 630 Cb -0.04 -0.73 -0.03 0.00 0.41 0.00 0.00 41.25 40.86 1avw s ASN 630 CO -0.05 0.25 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.46 1avw s TYR 631 N -0.96 0.42 0.13 2.20 2.02 -0.06 -1.11 117.35 119.99 1avw s TYR 631 Ca 0.16 -0.87 0.09 0.00 -0.37 0.00 0.00 57.07 56.08 1avw s TYR 631 Cb -0.11 -0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.10 1avw s TYR 631 CO 0.06 -0.32 -0.19 -1.59 -1.57 0.00 0.00 175.55 171.95 1avw s LYS 632 N -3.08 1.75 0.01 -0.62 -2.85 -0.10 -0.38 119.74 114.47 1avw s LYS 632 Ca -0.01 -1.25 -0.16 0.00 -1.00 0.00 0.00 55.97 53.55 1avw s LYS 632 Cb 0.02 -2.07 -0.06 0.00 -2.06 0.00 0.00 37.83 33.66 1avw s LYS 632 CO -0.07 0.46 0.45 -0.51 0.10 0.00 0.00 175.35 175.79 1avw s LEU 633 N -2.28 4.48 0.14 2.77 1.43 -1.26 -1.83 118.68 122.13 1avw s LEU 633 Ca 0.19 1.03 0.09 0.00 -1.03 0.00 0.00 54.13 54.40 1avw s LEU 633 Cb -0.10 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1avw s LEU 633 CO 0.10 0.29 -0.20 0.68 0.23 0.00 0.00 176.35 177.46 1avw s VAL 634 N -0.98 1.83 -0.10 -1.59 -7.23 -0.23 -1.28 120.40 110.83 1avw s VAL 634 Ca 0.25 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1avw s VAL 634 Cb -0.17 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 1avw s VAL 634 CO 0.15 -0.19 -0.10 0.12 -0.31 0.00 0.00 175.10 174.76 1avw s PHE 635 N -1.66 2.86 -0.28 2.82 5.36 0.49 -1.33 117.98 126.23 1avw s PHE 635 Ca 0.13 -0.28 0.02 0.00 -0.96 0.00 0.00 56.93 55.84 1avw s PHE 635 Cb -0.08 -1.77 0.07 0.00 -0.34 0.00 0.00 43.02 40.90 1avw s PHE 635 CO 0.06 0.07 -0.03 0.00 -1.46 0.00 0.00 175.22 173.86 1avw s PRO 637 N 1.20 3.79 -1.01 0.00 0.02 -1.26 -0.40 135.00 137.32 1avw s PRO 637 Ca -0.01 1.86 -0.18 0.00 0.02 0.00 0.00 61.00 62.69 1avw s PRO 637 Cb -0.19 -2.48 0.14 0.00 0.02 0.00 0.00 34.50 31.98 1avw s PRO 637 CO -0.08 -0.55 1.24 1.14 -0.33 0.00 0.00 177.00 178.41 1avw s GLN 638 N -2.59 3.74 0.51 5.54 0.00 0.43 -4.83 119.66 122.46 1avw s GLN 638 Ca 0.62 -1.96 0.00 0.00 -0.00 0.00 0.00 55.36 54.03 1avw s GLN 638 Cb -0.31 -4.99 0.00 0.00 0.00 0.00 0.00 33.01 27.71 1avw s GLN 638 CO 0.38 -1.80 0.00 -0.40 0.00 0.00 0.00 175.29 173.47 1avw n ASP 643 N 6.45 0.00 -4.55 12.60 5.68 -1.26 -5.00 116.55 130.47 1avw n ASP 643 Ca 0.28 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 54.21 1avw n ASP 643 Cb 0.47 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.42 1avw n ASP 643 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1avw s LYS 644 N 0.00 2.78 0.03 0.11 2.47 -1.26 -4.97 119.74 118.90 1avw s LYS 644 Ca 0.00 0.14 0.03 0.00 -1.56 0.00 0.00 55.97 54.58 1avw s LYS 644 Cb 0.00 -4.57 -0.02 0.00 -1.46 0.00 0.00 37.83 31.78 1avw s LYS 644 CO 0.00 -2.73 -0.09 0.00 0.16 0.00 0.00 175.35 172.69 1avw s GLY 646 N -0.99 1.54 0.33 0.00 0.00 0.35 -4.89 107.32 103.67 1avw s GLY 646 Ca -0.02 -0.96 -0.29 0.00 0.00 0.00 0.00 44.72 43.45 1avw s GLY 646 CO 0.01 -0.68 1.42 0.99 0.00 0.00 0.00 173.10 174.83 1avw s ASP 647 N -0.59 6.56 -0.16 1.64 1.11 -1.26 -0.38 116.67 123.58 1avw s ASP 647 Ca 0.09 2.84 -0.29 0.00 0.18 0.00 0.00 52.55 55.37 1avw s ASP 647 Cb -0.11 -2.65 -0.00 0.00 1.07 0.00 0.00 42.92 41.22 1avw s ASP 647 CO 0.01 -0.72 0.99 -0.63 1.18 0.00 0.00 175.17 176.00 1avw s ILE 648 N -0.84 4.77 0.00 0.77 -1.09 -0.40 -0.03 121.20 124.38 1avw s ILE 648 Ca 0.53 1.96 0.00 0.00 -2.23 0.00 0.00 60.65 60.92 1avw s ILE 648 Cb -0.43 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.17 1avw s ILE 648 CO 0.55 -0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 1avw n GLY 649 N 3.24 5.72 3.57 6.18 0.00 0.10 -0.14 105.19 123.85 1avw n GLY 649 Ca 0.09 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 1avw n GLY 649 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1avw s ILE 650 N -0.50 3.92 -0.23 -0.61 -1.09 -1.26 -1.11 121.20 120.32 1avw s ILE 650 Ca 0.00 -0.37 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 1avw s ILE 650 Cb 0.00 -2.66 0.04 0.00 -1.58 0.00 0.00 42.46 38.25 1avw s ILE 650 CO 0.00 0.55 -0.12 -0.55 -1.23 0.00 0.00 174.94 173.60 1avw s SER 651 N -0.30 4.04 -0.14 3.58 0.15 0.15 -4.89 113.70 116.29 1avw s SER 651 Ca 0.05 -1.01 -0.29 0.00 0.70 0.00 0.00 55.95 55.39 1avw s SER 651 Cb -0.12 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.59 1avw s SER 651 CO 0.02 -0.12 1.38 -0.63 1.20 0.00 0.00 173.24 175.09 1avw s ILE 652 N 1.23 4.08 0.14 6.45 -1.09 -1.26 -0.79 121.20 129.96 1avw s ILE 652 Ca -0.02 1.30 -0.31 0.00 -2.23 0.00 0.00 60.65 59.39 1avw s ILE 652 Cb -0.17 -3.86 -0.10 0.00 -1.58 0.00 0.00 42.46 36.75 1avw s ILE 652 CO -0.07 -0.14 1.71 -0.62 -1.23 0.00 0.00 174.94 174.59 1avw s ASP 653 N 2.43 6.49 -0.00 3.58 -1.08 0.15 -4.89 116.67 123.35 1avw s ASP 653 Ca 0.60 2.69 -0.25 0.00 -0.52 0.00 0.00 52.55 55.07 1avw s ASP 653 Cb -0.25 -2.58 -0.19 0.00 -1.46 0.00 0.00 42.92 38.45 1avw s ASP 653 CO 0.19 -0.93 1.31 0.45 0.52 0.00 0.00 175.17 176.71 1avw h HIS 654 N 7.74 -0.09 -0.48 -5.34 3.86 -1.94 0.69 115.15 119.59 1avw h HIS 654 Ca -0.44 -0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.65 1avw h HIS 654 Cb 1.21 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.69 1avw h HIS 654 CO 0.72 0.29 -0.17 -0.44 0.86 0.00 0.00 177.93 179.20 1avw h ASP 655 N -0.49 0.95 0.11 2.45 3.45 -2.00 -3.37 116.42 117.52 1avw h ASP 655 Ca -0.01 -0.33 -0.33 0.00 0.43 0.00 0.00 57.03 56.79 1avw h ASP 655 Cb 0.42 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.92 1avw h ASP 655 CO 0.02 1.09 -1.80 -0.78 -1.57 0.00 0.00 179.24 176.20 1avw h ASP 656 N 0.82 0.37 0.00 6.45 1.82 -1.95 -3.48 116.42 120.45 1avw h ASP 656 Ca 0.12 -0.87 0.00 0.00 -0.39 0.00 0.00 57.03 55.89 1avw h ASP 656 Cb 0.72 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.61 1avw h ASP 656 CO 0.05 1.77 0.00 0.61 -1.61 0.00 0.00 179.24 180.07 1avw n GLY 657 N 1.86 1.81 3.70 -0.78 0.00 0.24 -4.99 105.19 107.05 1avw n GLY 657 Ca -0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 1avw n GLY 657 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1avw n THR 658 N -2.00 0.77 -2.98 2.61 -1.04 -1.25 -4.45 114.28 105.95 1avw n THR 658 Ca 0.00 -0.19 -0.44 0.00 -2.04 0.00 0.00 64.05 61.38 1avw n THR 658 Cb 0.00 -1.72 -0.03 0.00 -1.82 0.00 0.00 70.33 66.76 1avw n THR 658 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1avw s ARG 659 N -0.14 3.45 0.08 -2.82 0.52 -1.26 0.34 118.95 119.13 1avw s ARG 659 Ca 0.68 -1.62 -0.23 0.00 -0.52 0.00 0.00 55.73 54.04 1avw s ARG 659 Cb -0.58 -4.68 -0.07 0.00 0.52 0.00 0.00 34.95 30.15 1avw s ARG 659 CO 0.46 -1.71 0.71 1.03 0.02 0.00 0.00 175.30 175.81 1avw s ARG 660 N 2.67 4.44 -0.17 3.54 0.52 0.03 -0.84 118.95 129.13 1avw s ARG 660 Ca 0.27 0.99 -0.29 0.00 -0.52 0.00 0.00 55.73 56.17 1avw s ARG 660 Cb -0.10 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 32.07 1avw s ARG 660 CO -0.04 0.46 1.12 -0.51 0.02 0.00 0.00 175.30 176.35 1avw s LEU 661 N -0.65 4.17 0.12 2.53 1.02 -0.61 0.32 118.68 125.58 1avw s LEU 661 Ca 0.35 1.55 0.02 0.00 0.02 0.00 0.00 54.13 56.07 1avw s LEU 661 Cb -0.21 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.41 1avw s LEU 661 CO 0.23 -0.65 -0.05 0.68 0.02 0.00 0.00 176.35 176.57 1avw s VAL 662 N 2.99 0.76 -0.37 -1.59 -7.23 -0.27 -1.50 120.40 113.19 1avw s VAL 662 Ca 0.49 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.41 1avw s VAL 662 Cb -0.19 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 34.94 1avw s VAL 662 CO 0.12 -0.76 1.37 -0.69 -0.31 0.00 0.00 175.10 174.84 1avw s VAL 663 N -3.59 3.99 -0.11 1.32 1.01 -0.36 0.02 120.40 122.68 1avw s VAL 663 Ca 0.16 1.05 -0.01 0.00 0.00 0.00 0.00 61.98 63.18 1avw s VAL 663 Cb 0.05 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1avw s VAL 663 CO -0.02 -0.65 -0.05 -0.55 0.00 0.00 0.00 175.10 173.83 1avw s SER 664 N 3.49 2.06 0.05 3.32 0.15 0.96 -4.62 113.70 119.12 1avw s SER 664 Ca 0.59 -0.27 -0.27 0.00 0.70 0.00 0.00 55.95 56.70 1avw s SER 664 Cb -0.15 -0.73 -0.15 0.00 -1.71 0.00 0.00 66.02 63.29 1avw s SER 664 CO 0.29 -0.15 1.42 0.11 1.20 0.00 0.00 173.24 176.11 1avw h LYS 665 N 8.22 -0.89 -3.14 5.44 1.57 -1.95 -3.11 116.57 122.72 1avw h LYS 665 Ca -0.26 0.06 -0.59 0.00 -1.87 0.00 0.00 60.65 57.99 1avw h LYS 665 Cb 1.13 0.20 0.03 0.00 0.08 0.00 0.00 32.23 33.67 1avw h LYS 665 CO 0.36 -0.60 3.51 0.09 -0.57 0.00 0.00 179.45 182.25 1avw n ASN 666 N -4.70 7.65 0.00 0.86 4.13 -1.26 -4.75 115.26 117.19 1avw n ASN 666 Ca -0.11 -2.50 0.00 0.00 1.68 0.00 0.00 54.58 53.64 1avw n ASN 666 Cb 0.38 -1.43 0.00 0.00 -1.54 0.00 0.00 39.78 37.19 1avw n ASN 666 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1avw n LYS 667 N 3.79 0.00 -2.62 3.52 5.02 -1.17 -5.00 118.16 121.70 1avw n LYS 667 Ca 0.69 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.72 1avw n LYS 667 Cb 0.20 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.23 1avw n LYS 667 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1avw s PRO 668 N 1.95 3.10 0.05 1.97 0.04 -1.26 -5.00 135.00 135.85 1avw s PRO 668 Ca 0.00 -0.10 -0.31 0.00 0.04 0.00 0.00 61.00 60.64 1avw s PRO 668 Cb 0.00 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 1avw s PRO 668 CO 0.00 -0.47 1.26 -1.17 0.04 0.00 0.00 177.00 176.66 1avw s LEU 669 N -4.81 4.35 -0.21 -3.56 2.96 0.80 -4.89 118.68 113.31 1avw s LEU 669 Ca 0.51 2.06 -0.07 0.00 -0.22 0.00 0.00 54.13 56.40 1avw s LEU 669 Cb -0.10 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1avw s LEU 669 CO 0.43 -0.55 0.06 -0.69 -1.32 0.00 0.00 176.35 174.29 1avw s VAL 670 N 1.37 4.50 0.19 1.68 1.01 -1.26 -4.29 120.40 123.60 1avw s VAL 670 Ca 0.60 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.53 1avw s VAL 670 Cb -0.30 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1avw s VAL 670 CO 0.28 0.40 -0.14 0.68 0.00 0.00 0.00 175.10 176.32 1avw s VAL 671 N 1.01 1.63 0.19 2.92 -7.23 0.49 -2.16 120.40 117.26 1avw s VAL 671 Ca 0.04 -2.18 0.05 0.00 -1.81 0.00 0.00 61.98 58.08 1avw s VAL 671 Cb -0.14 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 1avw s VAL 671 CO 0.03 -0.63 -0.08 0.00 -0.31 0.00 0.00 175.10 174.11 1avw s GLN 672 N -3.66 1.23 -0.04 4.82 -2.07 0.11 -0.88 119.66 119.16 1avw s GLN 672 Ca 0.21 -1.57 0.03 0.00 -1.82 0.00 0.00 55.36 52.21 1avw s GLN 672 Cb -0.00 -0.77 -0.03 0.00 -1.09 0.00 0.00 33.01 31.12 1avw s GLN 672 CO 0.06 0.05 -0.11 -0.06 -1.32 0.00 0.00 175.29 173.91 1avw s PHE 673 N -3.25 2.80 -0.08 9.60 0.08 -1.26 -0.49 117.98 125.38 1avw s PHE 673 Ca 0.22 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.20 1avw s PHE 673 Cb 0.03 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.85 1avw s PHE 673 CO 0.05 0.27 -0.10 -1.14 -0.10 0.00 0.00 175.22 174.19 1avw s GLN 674 N -0.88 1.59 0.22 0.44 0.74 -0.11 -0.52 119.66 121.14 1avw s GLN 674 Ca 0.13 -0.34 -0.30 0.00 0.05 0.00 0.00 55.36 54.89 1avw s GLN 674 Cb -0.11 -1.43 -0.10 0.00 1.10 0.00 0.00 33.01 32.47 1avw s GLN 674 CO 0.02 -0.08 1.46 0.21 -0.55 0.00 0.00 175.29 176.35 1avw s LYS 675 N 1.02 4.26 -0.01 1.67 2.20 -1.26 0.23 119.74 127.85 1avw s LYS 675 Ca -0.08 2.30 -0.05 0.00 -0.36 0.00 0.00 55.97 57.78 1avw s LYS 675 Cb -0.15 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1avw s LYS 675 CO -0.00 -0.46 0.57 -0.07 -0.36 0.00 0.00 175.35 175.03 1avw h LEU 676 N 5.48 -0.16 0.00 5.43 -0.00 -1.68 -3.45 115.31 120.94 1avw h LEU 676 Ca -0.45 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 1avw h LEU 676 Cb 1.21 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 1avw h LEU 676 CO 0.81 -0.04 0.00 -0.67 -0.00 0.00 0.00 178.44 178.54