#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n7c s GLU 504 N 0.00 3.22 -0.42 3.49 -1.05 0.77 -4.88 118.70 119.83 3n7c s GLU 504 Ca 0.00 -0.40 -0.21 0.00 -0.15 0.00 0.00 54.97 54.21 3n7c s GLU 504 Cb 0.00 -2.97 0.02 0.00 -0.44 0.00 0.00 34.13 30.74 3n7c s GLU 504 CO 0.00 0.67 0.66 0.08 0.95 0.00 0.00 175.26 177.62 3n7c s VAL 505 N -1.22 4.81 -0.33 1.83 1.01 -1.26 -1.88 120.40 123.36 3n7c s VAL 505 Ca 0.24 0.28 0.23 0.00 0.00 0.00 0.00 61.98 62.72 3n7c s VAL 505 Cb -0.12 -4.19 0.09 0.00 0.00 0.00 0.00 36.38 32.15 3n7c s VAL 505 CO 0.14 -0.55 1.21 -0.07 0.00 0.00 0.00 175.10 175.84 3n7c h LEU 506 N 9.68 0.00 -7.00 3.92 3.38 -1.15 -3.48 115.31 120.67 3n7c h LEU 506 Ca -0.26 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3n7c h LEU 506 Cb 1.10 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.64 3n7c h LEU 506 CO 0.89 0.01 0.28 0.12 0.09 0.00 0.00 178.44 179.83 3n7c s PHE 507 N -3.30 -0.59 -0.28 1.13 2.19 -1.23 -4.92 117.98 110.99 3n7c s PHE 507 Ca 0.02 1.05 -0.10 0.00 0.33 0.00 0.00 56.93 58.23 3n7c s PHE 507 Cb 0.09 0.41 0.11 0.00 -1.31 0.00 0.00 43.02 42.32 3n7c s PHE 507 CO 0.75 -0.52 0.61 0.00 1.83 0.00 0.00 175.22 177.89 3n7c s GLU 509 N 2.60 1.03 0.23 0.00 0.41 -0.72 -4.96 118.70 117.30 3n7c s GLU 509 Ca -0.06 -0.31 -0.30 0.00 -0.41 0.00 0.00 54.97 53.88 3n7c s GLU 509 Cb -0.11 0.47 -0.10 0.00 -1.78 0.00 0.00 34.13 32.61 3n7c s GLU 509 CO -0.18 -0.38 1.43 -1.59 -0.49 0.00 0.00 175.26 174.05 3n7c s LYS 510 N -2.65 4.28 0.05 1.61 -2.85 -1.26 -0.03 119.74 118.89 3n7c s LYS 510 Ca -0.04 2.26 -0.07 0.00 -1.00 0.00 0.00 55.97 57.12 3n7c s LYS 510 Cb -0.00 -3.13 -0.01 0.00 -2.06 0.00 0.00 37.83 32.63 3n7c s LYS 510 CO -0.03 -0.41 0.14 0.00 0.10 0.00 0.00 175.35 175.14 3n7c s ALA 511 N 0.14 -0.15 -0.11 0.59 0.00 0.48 -4.57 121.76 118.13 3n7c s ALA 511 Ca 0.60 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.01 3n7c s ALA 511 Cb -0.41 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 3n7c s ALA 511 CO 0.41 -0.37 -0.01 0.21 0.00 0.00 0.00 175.76 176.00 3n7c s LYS 512 N -2.92 3.27 -0.23 0.00 2.20 0.12 -1.32 119.74 120.86 3n7c s LYS 512 Ca -0.02 -0.45 -0.08 0.00 -0.36 0.00 0.00 55.97 55.06 3n7c s LYS 512 Cb 0.01 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 3n7c s LYS 512 CO -0.06 0.51 0.08 -1.17 -0.36 0.00 0.00 175.35 174.36 3n7c s LEU 513 N -0.37 3.62 -0.07 5.43 2.96 -1.09 -0.13 118.68 129.04 3n7c s LEU 513 Ca 0.07 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.91 3n7c s LEU 513 Cb -0.12 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 3n7c s LEU 513 CO 0.02 0.02 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.14 3n7c s LEU 514 N 1.28 2.54 0.02 -0.68 1.43 0.44 -1.24 118.68 122.47 3n7c s LEU 514 Ca 0.05 -0.31 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 3n7c s LEU 514 Cb -0.15 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 3n7c s LEU 514 CO 0.04 0.28 -0.17 -0.63 0.23 0.00 0.00 176.35 176.11 3n7c s ILE 515 N -0.35 1.31 0.14 -0.59 1.01 -0.80 -0.84 121.20 121.08 3n7c s ILE 515 Ca 0.03 -0.89 -0.31 0.00 0.00 0.00 0.00 60.65 59.47 3n7c s ILE 515 Cb -0.12 -1.13 -0.09 0.00 0.01 0.00 0.00 42.46 41.12 3n7c s ILE 515 CO 0.02 0.22 1.54 0.12 0.00 0.00 0.00 174.94 176.84 3n7c s PHE 516 N -0.61 3.01 -0.04 3.97 5.36 -1.26 -1.97 117.98 126.44 3n7c s PHE 516 Ca 0.05 0.65 0.04 0.00 -0.96 0.00 0.00 56.93 56.71 3n7c s PHE 516 Cb -0.07 -3.88 -0.00 0.00 -0.34 0.00 0.00 43.02 38.72 3n7c s PHE 516 CO 0.00 -3.27 -0.17 0.34 -1.46 0.00 0.00 175.22 170.67 3n7c s ASP 517 N 1.31 2.17 -1.24 6.13 2.15 -1.26 -4.95 116.67 120.98 3n7c s ASP 517 Ca 0.69 -0.35 -0.16 0.00 0.43 0.00 0.00 52.55 53.16 3n7c s ASP 517 Cb -0.42 -0.60 0.12 0.00 -0.30 0.00 0.00 42.92 41.72 3n7c s ASP 517 CO 0.31 0.15 1.57 -0.94 -0.17 0.00 0.00 175.17 176.10 3n7c s SER 518 N 0.03 6.94 0.00 -0.34 1.04 -1.26 -4.77 113.70 115.35 3n7c s SER 518 Ca -0.04 -2.68 0.00 0.00 0.48 0.00 0.00 55.95 53.71 3n7c s SER 518 Cb -0.11 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3n7c s SER 518 CO 0.02 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.88 3n7c n GLY 522 N 4.81 0.00 3.74 7.32 0.00 -1.26 -5.23 105.19 114.58 3n7c n GLY 522 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 3n7c n GLY 522 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n7c s TYR 523 N 0.00 3.42 0.03 1.61 2.02 -1.26 -4.53 117.35 118.65 3n7c s TYR 523 Ca 0.00 0.34 0.04 0.00 -0.37 0.00 0.00 57.07 57.08 3n7c s TYR 523 Cb 0.00 -2.13 -0.02 0.00 -0.40 0.00 0.00 41.96 39.41 3n7c s TYR 523 CO 0.00 0.33 -0.13 0.95 -1.57 0.00 0.00 175.55 175.13 3n7c s THR 524 N 0.21 1.00 0.41 -0.71 -4.23 -0.83 -4.92 115.64 106.57 3n7c s THR 524 Ca 0.08 -0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 59.40 3n7c s THR 524 Cb -0.11 -0.92 -0.08 0.00 1.34 0.00 0.00 72.50 72.73 3n7c s THR 524 CO -0.01 -0.02 1.17 -0.55 -0.54 0.00 0.00 174.62 174.67 3n7c s SER 525 N -1.09 6.47 0.00 3.99 0.15 -1.26 -1.91 113.70 120.05 3n7c s SER 525 Ca 0.00 2.34 0.00 0.00 0.70 0.00 0.00 55.95 59.00 3n7c s SER 525 Cb -0.08 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 3n7c s SER 525 CO 0.01 -0.71 0.41 0.54 1.20 0.00 0.00 173.24 174.69 3n7c n ARG 526 N -0.01 -0.19 0.00 5.44 5.12 -0.37 -4.91 116.66 121.74 3n7c n ARG 526 Ca 0.05 -0.41 0.00 0.00 -1.93 0.00 0.00 57.85 55.56 3n7c n ARG 526 Cb 0.47 -0.90 0.00 0.00 -1.16 0.00 0.00 32.46 30.86 3n7c n ARG 526 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3n7c n GLY 527 N 0.09 3.42 3.34 -0.13 0.00 -1.26 -5.00 105.19 105.64 3n7c n GLY 527 Ca 0.00 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 3n7c n GLY 527 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n7c s VAL 528 N -2.00 2.23 0.36 1.61 1.01 -1.26 -2.67 120.40 119.67 3n7c s VAL 528 Ca 0.00 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 3n7c s VAL 528 Cb 0.00 -1.79 0.06 0.00 0.00 0.00 0.00 36.38 34.65 3n7c s VAL 528 CO 0.00 0.58 0.82 -0.83 0.00 0.00 0.00 175.10 175.67 3n7c s GLY 529 N -0.59 0.34 -0.23 4.51 0.00 -0.43 -4.25 107.32 106.67 3n7c s GLY 529 Ca 0.09 -0.70 -0.18 0.00 0.00 0.00 0.00 44.72 43.93 3n7c s GLY 529 CO -0.00 0.05 0.52 -0.54 0.00 0.00 0.00 173.10 173.12 3n7c s GLU 530 N -2.27 4.13 -0.24 2.90 8.01 -0.79 -0.39 118.70 130.06 3n7c s GLU 530 Ca 0.16 0.38 -0.10 0.00 0.01 0.00 0.00 54.97 55.43 3n7c s GLU 530 Cb -0.05 -3.60 -0.05 0.00 -4.31 0.00 0.00 34.13 26.12 3n7c s GLU 530 CO 0.11 -0.25 0.14 -1.17 0.01 0.00 0.00 175.26 174.10 3n7c s LEU 531 N 1.96 3.97 0.01 1.80 0.20 0.95 -2.26 118.68 125.32 3n7c s LEU 531 Ca 0.23 0.05 0.07 0.00 0.69 0.00 0.00 54.13 55.17 3n7c s LEU 531 Cb -0.15 -2.06 -0.02 0.00 -0.43 0.00 0.00 46.19 43.52 3n7c s LEU 531 CO 0.09 0.06 -0.22 -0.54 -0.29 0.00 0.00 176.35 175.45 3n7c s LYS 532 N 1.10 1.65 -0.24 1.98 1.02 0.52 -1.75 119.74 124.02 3n7c s LYS 532 Ca 0.07 -0.89 -0.10 0.00 0.02 0.00 0.00 55.97 55.07 3n7c s LYS 532 Cb -0.14 -1.69 -0.05 0.00 -0.52 0.00 0.00 37.83 35.44 3n7c s LYS 532 CO 0.05 0.45 0.15 -1.17 -0.92 0.00 0.00 175.35 173.90 3n7c s LEU 533 N -0.85 4.02 -0.05 3.17 2.96 -0.82 -1.32 118.68 125.79 3n7c s LEU 533 Ca 0.09 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 3n7c s LEU 533 Cb -0.09 -2.08 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 3n7c s LEU 533 CO 0.00 0.04 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.13 3n7c s LEU 534 N 1.18 1.94 -0.05 -0.68 1.43 0.08 -0.45 118.68 122.13 3n7c s LEU 534 Ca 0.07 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 3n7c s LEU 534 Cb -0.14 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 3n7c s LEU 534 CO 0.05 0.16 -0.21 -0.60 0.23 0.00 0.00 176.35 175.99 3n7c s ARG 535 N 0.09 2.16 0.23 1.70 3.52 -0.79 -0.98 118.95 124.88 3n7c s ARG 535 Ca -0.07 -0.74 -0.31 0.00 -0.13 0.00 0.00 55.73 54.48 3n7c s ARG 535 Cb -0.13 -1.84 -0.11 0.00 -1.56 0.00 0.00 34.95 31.31 3n7c s ARG 535 CO 0.03 0.30 1.65 -1.59 -0.81 0.00 0.00 175.30 174.88 3n7c s LYS 536 N -0.02 4.14 0.43 5.12 -2.85 -0.80 -0.17 119.74 125.58 3n7c s LYS 536 Ca -0.05 2.56 0.14 0.00 -1.00 0.00 0.00 55.97 57.63 3n7c s LYS 536 Cb -0.13 -3.07 0.92 0.00 -2.06 0.00 0.00 37.83 33.50 3n7c s LYS 536 CO 0.03 -0.69 1.95 0.87 0.10 0.00 0.00 175.35 177.61 3n7c h LYS 537 N 6.08 0.00 -0.34 1.78 1.57 -1.93 -2.73 116.57 121.00 3n7c h LYS 537 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3n7c h LYS 537 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3n7c h LYS 537 CO 0.89 0.23 0.00 -0.40 -0.57 0.00 0.00 179.45 179.61 3n7c n ASP 538 N -4.26 2.65 -3.19 0.86 5.68 -1.26 -4.81 116.55 112.22 3n7c n ASP 538 Ca -0.02 -1.89 0.01 0.00 -0.50 0.00 0.00 54.79 52.39 3n7c n ASP 538 Cb 0.29 -0.22 -0.01 0.00 -1.14 0.00 0.00 41.12 40.04 3n7c n ASP 538 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3n7c s ASP 539 N -1.40 -1.37 0.59 -1.12 -1.08 -1.03 -5.02 116.67 106.23 3n7c s ASP 539 Ca 0.35 -0.21 0.39 0.00 -0.52 0.00 0.00 52.55 52.56 3n7c s ASP 539 Cb 0.20 1.90 1.99 0.00 -1.46 0.00 0.00 42.92 45.55 3n7c s ASP 539 CO 0.28 -0.26 2.18 0.07 0.52 0.00 0.00 175.17 177.95 3n7c h LYS 540 N 7.67 0.00 -0.00 4.34 5.09 -1.88 -1.90 116.57 129.89 3n7c h LYS 540 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 3n7c h LYS 540 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.51 3n7c h LYS 540 CO 0.14 0.00 -0.00 0.41 -2.09 0.00 0.00 179.45 177.91 3n7c n GLY 541 N -0.78 -0.94 3.14 0.07 0.00 -1.26 -4.56 105.19 100.86 3n7c n GLY 541 Ca -0.02 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3n7c n GLY 541 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n7c s LYS 542 N -2.02 2.38 -0.06 1.61 -0.14 -0.71 -5.04 119.74 115.76 3n7c s LYS 542 Ca 0.47 -2.10 0.03 0.00 -1.36 0.00 0.00 55.97 53.00 3n7c s LYS 542 Cb 0.22 -3.75 0.01 0.00 -1.68 0.00 0.00 37.83 32.63 3n7c s LYS 542 CO 0.37 -1.15 -0.14 0.08 -0.76 0.00 0.00 175.35 173.76 3n7c s VAL 543 N 0.69 1.23 0.07 3.17 1.01 -1.26 -1.91 120.40 123.40 3n7c s VAL 543 Ca 0.11 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3n7c s VAL 543 Cb -0.22 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3n7c s VAL 543 CO -0.03 0.37 -0.05 0.00 0.00 0.00 0.00 175.10 175.39 3n7c s ARG 544 N 0.45 0.71 -0.09 2.72 1.70 -0.15 -1.34 118.95 122.94 3n7c s ARG 544 Ca -0.11 -1.26 -0.01 0.00 -0.47 0.00 0.00 55.73 53.87 3n7c s ARG 544 Cb -0.14 0.02 -0.03 0.00 -0.57 0.00 0.00 34.95 34.23 3n7c s ARG 544 CO 0.03 -0.07 -0.02 0.08 -1.08 0.00 0.00 175.30 174.25 3n7c s VAL 545 N -3.75 4.12 -0.08 4.99 1.01 0.35 -0.74 120.40 126.29 3n7c s VAL 545 Ca 0.09 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3n7c s VAL 545 Cb 0.07 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.73 3n7c s VAL 545 CO -0.08 0.59 -0.08 -0.22 0.00 0.00 0.00 175.10 175.31 3n7c s LEU 546 N -0.69 1.30 -0.12 3.92 2.96 -0.44 -1.68 118.68 123.94 3n7c s LEU 546 Ca 0.11 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3n7c s LEU 546 Cb -0.12 -0.74 0.02 0.00 0.50 0.00 0.00 46.19 45.86 3n7c s LEU 546 CO 0.02 -0.07 -0.11 0.00 -1.32 0.00 0.00 176.35 174.88 3n7c s ARG 548 N 1.48 1.15 0.00 0.00 3.52 -0.96 0.08 118.95 124.23 3n7c s ARG 548 Ca 0.02 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 3n7c s ARG 548 Cb -0.13 -1.78 0.00 0.00 -1.56 0.00 0.00 34.95 31.48 3n7c s ARG 548 CO -0.07 -0.42 0.00 -1.13 -0.81 0.00 0.00 175.30 172.86 3n7c n SER 549 N 4.96 -0.50 -3.22 -2.12 3.41 0.11 -1.88 113.62 114.38 3n7c n SER 549 Ca -0.10 -0.43 -0.27 0.00 -0.26 0.00 0.00 58.87 57.81 3n7c n SER 549 Cb 0.48 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 3n7c n SER 549 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n7c n GLY 551 N 3.15 3.44 0.00 5.00 0.00 -1.26 -4.68 105.19 110.83 3n7c n GLY 551 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3n7c n GLY 551 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n7c n GLY 553 N 3.72 0.00 3.69 -0.02 0.00 -1.26 -5.27 105.19 106.05 3n7c n GLY 553 Ca 0.54 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 3n7c n GLY 553 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3n7c s HIS 554 N 0.00 2.42 -0.47 1.61 5.65 -1.26 -4.96 115.29 118.28 3n7c s HIS 554 Ca 0.00 0.36 -0.28 0.00 0.25 0.00 0.00 55.06 55.39 3n7c s HIS 554 Cb 0.00 -3.92 0.00 0.00 -1.18 0.00 0.00 32.58 27.48 3n7c s HIS 554 CO 0.00 -3.70 1.52 0.08 -0.65 0.00 0.00 174.74 171.99 3n7c s VAL 555 N 2.78 3.74 0.07 0.89 1.01 -1.26 0.07 120.40 127.71 3n7c s VAL 555 Ca 0.73 0.70 -0.02 0.00 0.00 0.00 0.00 61.98 63.38 3n7c s VAL 555 Cb -0.38 -4.17 -0.27 0.00 0.00 0.00 0.00 36.38 31.56 3n7c s VAL 555 CO 0.31 -0.85 1.12 -0.07 0.00 0.00 0.00 175.10 175.62 3n7c h LEU 556 N 13.13 0.35 -7.32 3.92 3.38 -0.73 -3.47 115.31 124.57 3n7c h LEU 556 Ca -0.28 -0.39 -0.15 0.00 0.09 0.00 0.00 57.88 57.15 3n7c h LEU 556 Cb 1.12 -0.12 -0.27 0.00 0.09 0.00 0.00 40.66 41.48 3n7c h LEU 556 CO 1.12 1.31 -0.36 -0.22 0.09 0.00 0.00 178.44 180.38 3n7c s LEU 557 N -7.05 0.36 -0.36 1.67 2.96 -1.04 -4.96 118.68 110.26 3n7c s LEU 557 Ca -0.04 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.61 3n7c s LEU 557 Cb 0.07 1.11 0.15 0.00 0.50 0.00 0.00 46.19 48.03 3n7c s LEU 557 CO 0.87 -0.16 0.36 0.21 -1.32 0.00 0.00 176.35 176.31 3n7c s ASN 558 N 0.87 1.35 0.05 3.68 2.47 -1.24 -1.30 114.94 120.82 3n7c s ASN 558 Ca -0.06 -1.54 -0.13 0.00 0.42 0.00 0.00 52.86 51.55 3n7c s ASN 558 Cb -0.06 0.48 0.02 0.00 -1.45 0.00 0.00 41.25 40.24 3n7c s ASN 558 CO -0.06 -0.28 0.29 0.28 -3.72 0.00 0.00 177.10 173.61 3n7c s THR 559 N 1.50 0.09 0.29 -5.21 -1.32 -0.68 -4.98 115.64 105.32 3n7c s THR 559 Ca 0.16 -0.72 -0.28 0.00 -1.21 0.00 0.00 61.69 59.64 3n7c s THR 559 Cb -0.16 -0.96 -0.09 0.00 -1.51 0.00 0.00 72.50 69.78 3n7c s THR 559 CO -0.06 -0.40 0.96 -0.44 -2.21 0.00 0.00 174.62 172.48 3n7c s SER 560 N -2.12 7.44 -0.10 8.08 0.01 -1.26 -0.50 113.70 125.25 3n7c s SER 560 Ca -0.04 1.94 -0.30 0.00 1.31 0.00 0.00 55.95 58.86 3n7c s SER 560 Cb -0.01 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 3n7c s SER 560 CO -0.04 0.00 1.25 -0.69 0.41 0.00 0.00 173.24 174.18 3n7c s VAL 561 N -1.38 4.21 -0.10 3.43 1.01 -0.45 -4.85 120.40 122.27 3n7c s VAL 561 Ca 0.46 1.51 -0.12 0.00 0.00 0.00 0.00 61.98 63.82 3n7c s VAL 561 Cb -0.23 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 3n7c s VAL 561 CO 0.29 -0.06 0.29 -0.69 0.00 0.00 0.00 175.10 174.93 3n7c s VAL 562 N 2.84 5.27 0.39 2.92 1.01 -1.26 -4.80 120.40 126.78 3n7c s VAL 562 Ca 0.56 0.55 0.15 0.00 0.00 0.00 0.00 61.98 63.25 3n7c s VAL 562 Cb -0.24 -3.60 0.15 0.00 0.00 0.00 0.00 36.38 32.69 3n7c s VAL 562 CO 0.19 0.51 1.91 0.07 0.00 0.00 0.00 175.10 177.77 3n7c h LYS 563 N 5.62 0.00 -0.00 2.72 -0.00 -1.96 -3.00 116.57 119.96 3n7c h LYS 563 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.17 3n7c h LYS 563 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 3n7c h LYS 563 CO 0.67 0.28 -0.10 0.43 -0.00 0.00 0.00 179.45 180.72 3n7c n SER 564 N -4.10 0.27 -4.84 7.07 7.64 -1.26 -4.88 113.62 113.52 3n7c n SER 564 Ca -0.02 -0.23 -0.32 0.00 1.01 0.00 0.00 58.87 59.31 3n7c n SER 564 Cb 0.34 -0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.31 3n7c n SER 564 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3n7c s PHE 565 N -2.65 3.38 -0.15 1.43 0.08 -1.13 -5.11 117.98 113.83 3n7c s PHE 565 Ca 0.24 0.23 -0.07 0.00 0.12 0.00 0.00 56.93 57.45 3n7c s PHE 565 Cb 0.20 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 3n7c s PHE 565 CO 0.51 0.58 0.10 0.15 -0.10 0.00 0.00 175.22 176.46 3n7c s LYS 566 N -2.05 3.68 -0.27 0.44 1.02 -1.26 -4.91 119.74 116.39 3n7c s LYS 566 Ca 0.27 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 56.05 3n7c s LYS 566 Cb -0.12 -3.20 0.07 0.00 -0.52 0.00 0.00 37.83 34.06 3n7c s LYS 566 CO 0.19 0.54 -0.05 0.71 -0.92 0.00 0.00 175.35 175.82 3n7c s TYR 567 N -0.37 3.05 0.17 3.18 2.02 -1.26 -4.69 117.35 119.45 3n7c s TYR 567 Ca 0.10 -2.28 -0.13 0.00 -0.37 0.00 0.00 57.07 54.40 3n7c s TYR 567 Cb -0.12 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.43 3n7c s TYR 567 CO 0.01 -0.86 0.38 1.14 -1.57 0.00 0.00 175.55 174.65 3n7c s GLN 568 N 1.17 1.22 0.69 -0.62 -2.07 -1.20 -4.79 119.66 114.06 3n7c s GLN 568 Ca -0.03 -1.01 -0.13 0.00 -1.82 0.00 0.00 55.36 52.36 3n7c s GLN 568 Cb -0.19 0.44 0.02 0.00 -1.09 0.00 0.00 33.01 32.18 3n7c s GLN 568 CO -0.07 -0.48 1.09 -1.25 -1.32 0.00 0.00 175.29 173.26 3n7c s PRO 569 N -3.91 2.70 0.19 9.60 0.04 -1.26 -0.09 135.00 142.26 3n7c s PRO 569 Ca 0.12 1.25 -0.19 0.00 0.04 0.00 0.00 61.00 62.22 3n7c s PRO 569 Cb 0.02 -1.95 0.15 0.00 0.04 0.00 0.00 34.50 32.76 3n7c s PRO 569 CO -0.02 -1.31 1.60 0.82 0.04 0.00 0.00 177.00 178.12 3n7c h ILE 570 N -0.39 0.22 -2.56 0.56 2.04 -1.25 -3.43 117.51 112.70 3n7c h ILE 570 Ca -0.45 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.42 3n7c h ILE 570 Cb 1.23 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3n7c h ILE 570 CO 0.54 0.00 0.25 -0.90 0.00 0.00 0.00 178.15 178.04 3n7c n ASP 571 N -5.44 -1.47 0.02 1.72 5.68 -1.26 -5.02 116.55 110.78 3n7c n ASP 571 Ca 0.05 -1.96 0.21 0.00 -0.50 0.00 0.00 54.79 52.59 3n7c n ASP 571 Cb 0.35 2.43 0.72 0.00 -1.14 0.00 0.00 41.12 43.48 3n7c n ASP 571 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3n7c h ALA 572 N 2.00 2.39 0.00 2.12 0.00 -2.01 -1.03 119.26 122.73 3n7c h ALA 572 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3n7c h ALA 572 Cb 0.84 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3n7c h ALA 572 CO 0.28 -0.67 -0.28 -0.25 0.00 0.00 0.00 179.25 178.33 3n7c n ASP 573 N -4.17 0.53 -3.12 0.00 8.00 -1.26 -4.23 116.55 112.30 3n7c n ASP 573 Ca 0.09 0.27 -0.22 0.00 0.71 0.00 0.00 54.79 55.65 3n7c n ASP 573 Cb 0.63 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 3n7c n ASP 573 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3n7c n ASN 574 N -1.90 2.06 0.00 -2.24 3.02 -0.39 -4.93 115.26 110.89 3n7c n ASN 574 Ca 0.05 -3.21 0.08 0.00 -0.03 0.00 0.00 54.58 51.47 3n7c n ASN 574 Cb 0.39 -0.61 0.35 0.00 -0.61 0.00 0.00 39.78 39.31 3n7c n ASN 574 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3n7c n GLU 575 N 0.25 0.01 -0.29 3.52 4.71 -1.23 -2.27 120.64 125.34 3n7c n GLU 575 Ca 0.27 0.21 0.11 0.00 -0.01 0.00 0.00 57.16 57.74 3n7c n GLU 575 Cb 0.55 -1.50 0.28 0.00 -1.01 0.00 0.00 31.44 29.76 3n7c n GLU 575 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 3n7c n ASN 576 N -1.49 3.40 -3.96 1.62 6.94 -1.26 -3.96 115.26 116.54 3n7c n ASN 576 Ca 0.04 -1.98 -0.31 0.00 -0.02 0.00 0.00 54.58 52.31 3n7c n ASN 576 Cb 0.19 -0.38 -0.15 0.00 -2.36 0.00 0.00 39.78 37.08 3n7c n ASN 576 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3n7c s LEU 577 N -1.13 2.92 -0.18 -4.53 1.43 -0.96 -1.62 118.68 114.61 3n7c s LEU 577 Ca 0.42 -1.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.11 3n7c s LEU 577 Cb 0.23 -1.28 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 3n7c s LEU 577 CO 0.30 -0.25 0.12 -0.63 0.23 0.00 0.00 176.35 176.13 3n7c s ILE 578 N 1.30 5.35 -0.21 -0.59 -1.09 -0.39 -1.12 121.20 124.45 3n7c s ILE 578 Ca -0.04 0.16 -0.29 0.00 -2.23 0.00 0.00 60.65 58.25 3n7c s ILE 578 Cb -0.19 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 3n7c s ILE 578 CO -0.07 0.48 1.10 -0.54 -1.23 0.00 0.00 174.94 174.68 3n7c s LYS 579 N 0.05 4.25 -0.68 2.79 1.02 0.87 -0.70 119.74 127.34 3n7c s LYS 579 Ca 0.09 1.44 -0.04 0.00 0.02 0.00 0.00 55.97 57.49 3n7c s LYS 579 Cb -0.11 -3.67 0.18 0.00 -0.52 0.00 0.00 37.83 33.70 3n7c s LYS 579 CO -0.00 -0.65 0.52 -0.46 -0.92 0.00 0.00 175.35 173.84 3n7c s TRP 580 N 3.26 3.50 0.28 3.18 -0.11 0.41 -3.24 118.94 126.22 3n7c s TRP 580 Ca 0.47 -2.71 -0.29 0.00 1.22 0.00 0.00 56.10 54.78 3n7c s TRP 580 Cb -0.17 -3.25 -0.10 0.00 -1.50 0.00 0.00 33.47 28.45 3n7c s TRP 580 CO 0.08 -0.83 1.34 -1.25 -4.62 0.00 0.00 176.95 171.67 3n7c s PRO 581 N -0.26 4.34 0.00 5.86 0.05 -1.26 -0.97 135.00 142.77 3n7c s PRO 581 Ca 0.19 2.20 -0.04 0.00 0.05 0.00 0.00 61.00 63.40 3n7c s PRO 581 Cb -0.17 -3.11 -0.01 0.00 0.05 0.00 0.00 34.50 31.26 3n7c s PRO 581 CO -0.05 -0.26 0.07 -1.50 0.05 0.00 0.00 177.00 175.31 3n7c s ILE 582 N -0.58 0.08 -0.21 0.56 2.07 0.12 -4.93 121.20 118.32 3n7c s ILE 582 Ca 0.53 -0.66 -0.13 0.00 -1.41 0.00 0.00 60.65 58.98 3n7c s ILE 582 Cb -0.40 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 41.83 3n7c s ILE 582 CO 0.47 -0.36 0.29 -0.63 -1.91 0.00 0.00 174.94 172.80 3n7c s ILE 583 N -1.18 5.28 -0.11 2.00 1.01 -1.26 -0.71 121.20 126.24 3n7c s ILE 583 Ca -0.13 0.48 0.02 0.00 0.00 0.00 0.00 60.65 61.02 3n7c s ILE 583 Cb -0.07 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.79 3n7c s ILE 583 CO 0.00 0.31 -0.15 -0.89 0.00 0.00 0.00 174.94 174.21 3n7c s THR 584 N 1.06 1.50 -1.52 2.92 2.01 -0.74 -4.83 115.64 116.03 3n7c s THR 584 Ca 0.14 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.40 3n7c s THR 584 Cb -0.14 -1.37 0.08 0.00 0.01 0.00 0.00 72.50 71.07 3n7c s THR 584 CO 0.06 0.44 0.78 -0.90 -0.69 0.00 0.00 174.62 174.31 3n7c n ASP 585 N 4.24 -3.03 0.00 3.53 5.68 -1.26 -0.71 116.55 124.99 3n7c n ASP 585 Ca -0.19 -0.89 0.00 0.00 -0.50 0.00 0.00 54.79 53.21 3n7c n ASP 585 Cb 0.51 -3.45 0.00 0.00 -1.14 0.00 0.00 41.12 37.04 3n7c n ASP 585 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n7c n GLY 586 N -1.65 0.30 3.85 6.12 0.00 -1.26 -4.98 105.19 107.56 3n7c n GLY 586 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 3n7c n GLY 586 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n7c s LYS 587 N -0.57 3.89 -0.17 1.61 0.00 0.11 -5.06 119.74 119.54 3n7c s LYS 587 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 55.97 56.04 3n7c s LYS 587 Cb 0.00 -3.04 -0.00 0.00 0.00 0.00 0.00 37.83 34.79 3n7c s LYS 587 CO 0.00 0.57 1.00 -1.17 0.00 0.00 0.00 175.35 175.75 3n7c s LEU 588 N -1.69 4.17 0.30 2.77 2.96 -1.26 -1.80 118.68 124.13 3n7c s LEU 588 Ca 0.32 1.42 0.11 0.00 -0.22 0.00 0.00 54.13 55.76 3n7c s LEU 588 Cb -0.15 -3.51 -0.06 0.00 0.50 0.00 0.00 46.19 42.97 3n7c s LEU 588 CO 0.17 -0.55 -0.16 -1.83 -1.32 0.00 0.00 176.35 172.66 3n7c s GLU 589 N 2.61 1.72 -0.25 1.98 -1.05 0.12 -4.98 118.70 118.85 3n7c s GLU 589 Ca 0.45 -1.82 -0.03 0.00 -0.15 0.00 0.00 54.97 53.42 3n7c s GLU 589 Cb -0.16 -1.73 0.01 0.00 -0.44 0.00 0.00 34.13 31.81 3n7c s GLU 589 CO 0.12 0.26 -0.03 0.99 0.95 0.00 0.00 175.26 177.54 3n7c s THR 590 N -2.56 3.21 0.53 1.83 2.01 -1.26 0.15 115.64 119.55 3n7c s THR 590 Ca 0.31 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 3n7c s THR 590 Cb -0.02 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 3n7c s THR 590 CO 0.15 0.25 0.87 -0.36 -0.69 0.00 0.00 174.62 174.85 3n7c s PHE 591 N 1.40 3.58 -0.13 4.92 0.08 -0.14 -4.57 117.98 123.12 3n7c s PHE 591 Ca 0.02 0.98 0.01 0.00 0.12 0.00 0.00 56.93 58.06 3n7c s PHE 591 Cb -0.16 -2.46 -0.00 0.00 -0.57 0.00 0.00 43.02 39.83 3n7c s PHE 591 CO -0.03 -0.44 -0.18 0.42 -0.10 0.00 0.00 175.22 174.89 3n7c s ILE 592 N -2.90 2.55 -0.37 0.64 -1.09 -0.02 -0.45 121.20 119.56 3n7c s ILE 592 Ca 0.50 -0.83 -0.12 0.00 -2.23 0.00 0.00 60.65 57.98 3n7c s ILE 592 Cb -0.11 -2.04 0.02 0.00 -1.58 0.00 0.00 42.46 38.75 3n7c s ILE 592 CO 0.48 0.53 0.22 -0.63 -1.23 0.00 0.00 174.94 174.32 3n7c s ILE 593 N 0.55 4.79 -0.30 2.92 1.01 0.12 -0.42 121.20 129.87 3n7c s ILE 593 Ca -0.11 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 3n7c s ILE 593 Cb -0.16 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 3n7c s ILE 593 CO 0.04 -0.19 0.36 -1.59 0.00 0.00 0.00 174.94 173.57 3n7c s LYS 594 N 1.61 3.81 0.37 2.79 0.00 0.81 -1.26 119.74 127.87 3n7c s LYS 594 Ca 0.03 -0.18 0.07 0.00 0.00 0.00 0.00 55.97 55.90 3n7c s LYS 594 Cb -0.19 -3.72 -0.01 0.00 0.00 0.00 0.00 37.83 33.91 3n7c s LYS 594 CO 0.08 -0.39 0.45 0.14 0.00 0.00 0.00 175.35 175.62 3n7c s VAL 595 N 2.05 3.45 0.03 1.79 -7.23 -0.64 0.16 120.40 120.01 3n7c s VAL 595 Ca 0.13 -1.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 3n7c s VAL 595 Cb -0.16 -3.19 -0.17 0.00 0.56 0.00 0.00 36.38 33.42 3n7c s VAL 595 CO 0.11 -0.09 1.30 0.07 -0.31 0.00 0.00 175.10 176.18 3n7c h LYS 596 N 0.92 -0.93 -6.17 4.82 -0.00 -1.87 -3.46 116.57 109.88 3n7c h LYS 596 Ca -0.43 0.06 -0.52 0.00 -0.00 0.00 0.00 60.65 59.76 3n7c h LYS 596 Cb 1.26 0.21 -0.04 0.00 -0.00 0.00 0.00 32.23 33.66 3n7c h LYS 596 CO 0.52 -0.60 -0.51 -0.65 -0.00 0.00 0.00 179.45 178.22 3n7c s GLN 597 N -5.16 3.11 0.34 0.07 -0.21 -1.26 -5.01 119.66 111.54 3n7c s GLN 597 Ca -0.16 -0.87 0.18 0.00 0.02 0.00 0.00 55.36 54.54 3n7c s GLN 597 Cb 0.02 -2.72 0.27 0.00 1.00 0.00 0.00 33.01 31.58 3n7c s GLN 597 CO 0.51 0.45 1.55 1.57 -2.12 0.00 0.00 175.29 177.24 3n7c h LYS 598 N 1.79 0.00 0.00 2.91 5.09 -1.89 -3.10 116.57 121.37 3n7c h LYS 598 Ca -0.49 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 60.07 3n7c h LYS 598 Cb 1.22 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.52 3n7c h LYS 598 CO 0.63 0.35 -0.87 0.00 -2.09 0.00 0.00 179.45 177.47 3n7c h ALA 599 N 1.65 0.52 -0.90 0.07 0.00 -1.95 -2.84 119.26 115.82 3n7c h ALA 599 Ca -0.00 -0.79 0.02 0.00 0.00 0.00 0.00 54.91 54.13 3n7c h ALA 599 Cb 1.19 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 3n7c h ALA 599 CO 0.05 1.09 0.59 -0.44 0.00 0.00 0.00 179.25 180.54 3n7c h ASP 600 N 0.00 1.01 -0.35 0.00 3.32 -1.91 -0.76 116.42 117.73 3n7c h ASP 600 Ca -0.01 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 3n7c h ASP 600 Cb 1.58 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 3n7c h ASP 600 CO 0.11 0.71 -0.24 1.23 -1.72 0.00 0.00 179.24 179.33 3n7c h GLY 601 N 1.18 0.85 1.18 2.75 0.00 -1.55 -1.77 103.07 105.71 3n7c h GLY 601 Ca 0.34 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 3n7c h GLY 601 CO -0.09 0.74 0.50 0.07 0.00 0.00 0.00 176.54 177.76 3n7c h ARG 602 N 0.57 1.10 -0.20 4.80 -0.00 -1.23 -1.34 114.38 118.07 3n7c h ARG 602 Ca 0.07 -0.09 -0.14 0.00 -0.00 0.00 0.00 59.98 59.82 3n7c h ARG 602 Cb 0.81 -0.24 0.00 0.00 -0.00 0.00 0.00 29.97 30.54 3n7c h ARG 602 CO 0.07 0.76 -0.41 -0.09 -0.00 0.00 0.00 179.97 180.29 3n7c h ARG 603 N 1.12 0.64 -0.54 0.08 2.43 -1.05 -1.31 114.38 115.75 3n7c h ARG 603 Ca 0.29 -0.41 0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3n7c h ARG 603 Cb -0.07 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 3n7c h ARG 603 CO -0.06 1.03 0.29 1.25 -1.51 0.00 0.00 179.97 180.98 3n7c h LEU 604 N 0.32 0.44 -0.26 3.80 5.85 -1.07 1.01 115.31 125.41 3n7c h LEU 604 Ca 0.01 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3n7c h LEU 604 Cb 1.02 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3n7c h LEU 604 CO 0.09 0.30 0.14 0.58 -0.34 0.00 0.00 178.44 179.21 3n7c h VAL 605 N 0.57 1.12 -0.73 1.05 2.07 -1.23 -0.47 116.25 118.63 3n7c h VAL 605 Ca 0.23 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 3n7c h VAL 605 Cb 0.11 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3n7c h VAL 605 CO -0.14 0.12 0.24 1.23 0.02 0.00 0.00 177.57 179.04 3n7c h GLY 606 N 0.30 1.21 1.38 2.17 0.00 -0.42 -0.59 103.07 107.12 3n7c h GLY 606 Ca 0.09 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 3n7c h GLY 606 CO -0.01 0.66 -0.18 0.00 0.00 0.00 0.00 176.54 177.01 3n7c h ALA 607 N 1.17 0.97 -0.13 3.60 0.00 0.13 -0.89 119.26 124.12 3n7c h ALA 607 Ca 0.24 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3n7c h ALA 607 Cb 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3n7c h ALA 607 CO -0.01 0.60 -0.30 0.28 0.00 0.00 0.00 179.25 179.82 3n7c h VAL 608 N 0.64 1.37 -0.56 0.00 2.07 -0.89 -0.60 116.25 118.28 3n7c h VAL 608 Ca 0.10 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 3n7c h VAL 608 Cb 0.65 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 3n7c h VAL 608 CO 0.05 0.47 0.34 0.00 0.02 0.00 0.00 177.57 178.45 3n7c h ALA 609 N 0.53 0.72 -0.66 1.67 0.00 -0.97 0.10 119.26 120.64 3n7c h ALA 609 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3n7c h ALA 609 Cb 0.90 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3n7c h ALA 609 CO 0.07 0.20 0.34 0.38 0.00 0.00 0.00 179.25 180.24 3n7c h ASP 610 N 0.76 0.84 -0.71 0.00 2.03 -1.10 -1.09 116.42 117.15 3n7c h ASP 610 Ca 0.20 -0.11 -0.01 0.00 -0.73 0.00 0.00 57.03 56.38 3n7c h ASP 610 Cb -0.02 -0.22 -0.03 0.00 -0.83 0.00 0.00 39.33 38.23 3n7c h ASP 610 CO -0.04 0.71 0.42 0.00 -1.03 0.00 0.00 179.24 179.30 3n7c h ALA 611 N 1.16 1.38 -0.33 4.15 0.00 -0.59 -1.50 119.26 123.54 3n7c h ALA 611 Ca 0.23 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3n7c h ALA 611 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3n7c h ALA 611 CO -0.03 0.52 -0.31 1.96 0.00 0.00 0.00 179.25 181.39 3n7c h GLN 612 N 0.99 0.80 -0.69 0.00 4.20 -0.38 -3.13 115.11 116.90 3n7c h GLN 612 Ca 0.26 -0.41 -0.08 0.00 0.06 0.00 0.00 58.65 58.48 3n7c h GLN 612 Cb -0.01 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3n7c h GLN 612 CO -0.05 1.04 0.14 1.96 -0.67 0.00 0.00 178.83 181.25 3n7c h GLN 613 N 0.58 1.13 0.00 1.46 4.20 -1.11 -3.50 115.11 117.87 3n7c h GLN 613 Ca 0.06 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3n7c h GLN 613 Cb 0.89 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.53 3n7c h GLN 613 CO 0.08 1.01 0.00 0.00 -0.67 0.00 0.00 178.83 179.25