#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1paq h PHE 545 N 0.00 0.81 0.00 1.24 3.57 -1.99 -2.98 116.94 117.58 1paq h PHE 545 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1paq h PHE 545 Cb 0.00 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1paq h PHE 545 CO 0.00 0.39 0.00 -1.91 -2.23 0.00 0.00 178.31 174.56 1paq n GLU 546 N -4.50 0.00 -0.28 1.11 2.13 -1.26 0.09 120.64 117.93 1paq n GLU 546 Ca 0.13 0.28 0.05 0.00 0.66 0.00 0.00 57.16 58.27 1paq n GLU 546 Cb 0.29 -1.09 0.12 0.00 0.27 0.00 0.00 31.44 31.02 1paq n GLU 546 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1paq n LYS 547 N -1.00 -0.07 -0.07 5.31 5.02 -1.21 0.14 118.16 126.29 1paq n LYS 547 Ca 0.00 1.23 -0.02 0.00 -2.02 0.00 0.00 58.31 57.51 1paq n LYS 547 Cb 0.00 -1.85 0.24 0.00 -0.02 0.00 0.00 35.03 33.40 1paq n LYS 547 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1paq h GLU 548 N 0.00 0.68 -0.40 1.97 4.57 -1.35 -1.22 114.58 118.83 1paq h GLU 548 Ca 0.39 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 58.33 1paq h GLU 548 Cb 0.60 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1paq h GLU 548 CO -0.81 0.65 -0.12 0.78 -1.18 0.00 0.00 179.01 178.33 1paq h GLY 549 N 0.90 0.86 1.00 1.92 0.00 0.52 -0.90 103.07 107.38 1paq h GLY 549 Ca 0.14 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1paq h GLY 549 CO 0.01 0.66 0.35 -2.22 0.00 0.00 0.00 176.54 175.33 1paq h ILE 550 N 0.61 1.14 -0.62 2.60 2.04 -0.82 -1.93 117.51 120.54 1paq h ILE 550 Ca 0.10 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1paq h ILE 550 Cb 0.65 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1paq h ILE 550 CO 0.04 0.13 0.35 0.00 0.00 0.00 0.00 178.15 178.68 1paq h ALA 551 N 1.19 0.79 -0.16 1.87 0.00 -1.05 0.15 119.26 122.04 1paq h ALA 551 Ca 0.19 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1paq h ALA 551 Cb -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1paq h ALA 551 CO -0.04 0.29 0.08 1.15 0.00 0.00 0.00 179.25 180.73 1paq h THR 552 N 0.83 1.00 -0.51 0.00 2.02 -0.75 -0.97 112.91 114.53 1paq h THR 552 Ca 0.22 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 67.25 1paq h THR 552 Cb 0.02 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1paq h THR 552 CO -0.04 0.03 -0.02 0.58 0.37 0.00 0.00 175.52 176.45 1paq h VAL 553 N 0.17 1.26 -0.50 3.16 2.07 -1.19 -2.60 116.25 118.63 1paq h VAL 553 Ca 0.06 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1paq h VAL 553 Cb 0.01 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1paq h VAL 553 CO -0.04 0.39 0.29 -0.33 0.02 0.00 0.00 177.57 177.90 1paq h GLU 554 N 0.79 0.67 0.04 1.57 5.08 -0.66 -2.72 114.58 119.35 1paq h GLU 554 Ca 0.14 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1paq h GLU 554 Cb 0.55 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1paq h GLU 554 CO 0.03 0.48 -0.02 0.00 -1.00 0.00 0.00 179.01 178.51 1paq h ARG 555 N 0.69 -0.05 -1.56 2.33 3.08 -0.93 -2.70 114.38 115.23 1paq h ARG 555 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1paq h ARG 555 Cb -0.01 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1paq h ARG 555 CO -0.03 0.23 0.00 0.00 -1.07 0.00 0.00 179.97 179.10 1paq n ALA 556 N -2.26 1.53 0.00 0.04 0.00 -1.00 -1.85 120.51 116.96 1paq n ALA 556 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1paq n ALA 556 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1paq n ALA 556 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1paq n GLU 558 N 0.85 0.00 -1.08 0.00 2.13 -1.02 0.38 120.64 121.90 1paq n GLU 558 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 1paq n GLU 558 Cb 0.05 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.77 1paq n GLU 558 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1paq n ASN 559 N 0.00 6.46 -1.98 4.31 2.85 -0.77 -4.88 115.26 121.25 1paq n ASN 559 Ca 0.00 -3.10 0.00 0.00 -0.11 0.00 0.00 54.58 51.37 1paq n ASN 559 Cb 0.00 -1.12 0.00 0.00 1.24 0.00 0.00 39.78 39.90 1paq n ASN 559 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1paq n ASN 560 N 0.54 0.00 -4.84 1.20 4.05 -1.25 -4.93 115.26 110.04 1paq n ASN 560 Ca 0.36 0.00 -0.32 0.00 0.45 0.00 0.00 54.58 55.07 1paq n ASN 560 Cb 0.58 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.53 1paq n ASN 560 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1paq s HIS 561 N -1.48 3.36 0.66 1.20 3.76 1.23 -5.02 115.29 119.01 1paq s HIS 561 Ca 0.00 1.43 -0.11 0.00 -0.15 0.00 0.00 55.06 56.23 1paq s HIS 561 Cb 0.00 -2.72 -0.01 0.00 1.11 0.00 0.00 32.58 30.96 1paq s HIS 561 CO 0.00 -0.09 1.05 0.16 -0.85 0.00 0.00 174.74 175.00 1paq s ASP 562 N -2.42 5.73 0.00 1.40 -4.77 -1.26 -4.92 116.67 110.44 1paq s ASP 562 Ca 0.58 1.52 -0.19 0.00 -3.30 0.00 0.00 52.55 51.17 1paq s ASP 562 Cb -0.10 -2.47 -0.11 0.00 -1.09 0.00 0.00 42.92 39.16 1paq s ASP 562 CO 0.19 -1.20 0.94 -0.07 0.70 0.00 0.00 175.17 175.73 1paq h LEU 563 N -0.55 -0.58 -0.54 2.11 4.07 -1.95 -2.91 115.31 114.96 1paq h LEU 563 Ca -0.44 0.02 0.11 0.00 0.08 0.00 0.00 57.88 57.65 1paq h LEU 563 Cb 1.20 0.15 -0.10 0.00 1.08 0.00 0.00 40.66 42.99 1paq h LEU 563 CO 0.59 -0.29 -0.14 0.47 -1.08 0.00 0.00 178.44 178.00 1paq n ASP 564 N -4.56 -0.20 0.06 -0.43 8.00 -1.26 0.35 116.55 118.51 1paq n ASP 564 Ca -0.09 0.93 -0.05 0.00 0.71 0.00 0.00 54.79 56.29 1paq n ASP 564 Cb 0.27 -0.28 0.14 0.00 -0.02 0.00 0.00 41.12 41.23 1paq n ASP 564 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1paq h THR 565 N 0.00 1.34 -0.16 -3.53 2.02 -1.96 -1.82 112.91 108.79 1paq h THR 565 Ca 0.25 -1.76 -0.02 0.00 0.77 0.00 0.00 66.41 65.65 1paq h THR 565 Cb 0.39 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1paq h THR 565 CO -0.55 0.53 0.02 0.00 0.37 0.00 0.00 175.52 175.88 1paq h ALA 566 N 1.19 0.22 0.00 6.16 0.00 0.63 -2.79 119.26 124.67 1paq h ALA 566 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1paq h ALA 566 Cb 1.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1paq h ALA 566 CO 0.08 -0.11 -0.20 -0.07 0.00 0.00 0.00 179.25 178.95 1paq h LEU 567 N 0.04 0.00 -0.11 0.00 3.38 -0.73 -0.89 115.31 117.01 1paq h LEU 567 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1paq h LEU 567 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1paq h LEU 567 CO 0.01 0.20 0.02 0.25 0.09 0.00 0.00 178.44 179.01 1paq h LEU 568 N 0.00 0.17 0.02 1.67 5.85 -1.17 0.20 115.31 122.06 1paq h LEU 568 Ca -0.00 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1paq h LEU 568 Cb 0.38 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1paq h LEU 568 CO 0.03 0.38 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.41 1paq h GLU 569 N -0.04 -0.03 -0.42 1.25 4.81 -1.22 -1.59 114.58 117.33 1paq h GLU 569 Ca 0.03 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1paq h GLU 569 Cb 0.28 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 1paq h GLU 569 CO 0.00 0.27 0.09 1.25 -0.73 0.00 0.00 179.01 179.90 1paq h LEU 570 N -0.33 0.03 -1.26 1.64 5.85 -1.13 -0.24 115.31 119.86 1paq h LEU 570 Ca -0.00 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1paq h LEU 570 Cb 0.31 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1paq h LEU 570 CO 0.01 0.05 -0.15 0.78 -0.34 0.00 0.00 178.44 178.78 1paq h ASN 571 N 0.23 0.30 -0.64 1.25 2.35 -0.56 0.50 115.58 119.02 1paq h ASN 571 Ca 0.21 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1paq h ASN 571 Cb 0.25 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 1paq h ASN 571 CO -0.26 0.48 0.14 0.74 -1.65 0.00 0.00 177.43 176.89 1paq h THR 572 N 0.30 1.26 -0.60 2.81 2.02 -0.22 -2.26 112.91 116.21 1paq h THR 572 Ca 0.06 -0.95 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 1paq h THR 572 Cb 0.45 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1paq h THR 572 CO 0.03 0.36 0.09 0.25 0.37 0.00 0.00 175.52 176.61 1paq h LEU 573 N 0.94 0.97 0.00 2.58 6.46 -0.43 0.67 115.31 126.50 1paq h LEU 573 Ca 0.20 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1paq h LEU 573 Cb 0.37 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1paq h LEU 573 CO 0.00 0.99 0.00 -1.14 -0.62 0.00 0.00 178.44 177.67 1paq n ARG 574 N -4.28 0.00 -0.01 1.25 0.63 0.11 -4.39 116.66 109.96 1paq n ARG 574 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1paq n ARG 574 Cb 0.28 -1.03 0.00 0.00 0.45 0.00 0.00 32.46 32.16 1paq n ARG 574 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1paq n SER 576 N -0.39 -0.07 -2.70 6.15 2.88 0.22 -1.91 113.62 117.80 1paq n SER 576 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1paq n SER 576 Cb 0.00 -0.50 0.08 0.00 -0.75 0.00 0.00 64.21 63.04 1paq n SER 576 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1paq n ASN 578 N 2.71 -1.86 -4.43 -3.46 5.15 -1.26 -5.22 115.26 106.90 1paq n ASN 578 Ca 0.00 -2.50 -0.21 0.00 -0.60 0.00 0.00 54.58 51.27 1paq n ASN 578 Cb 0.01 1.30 -0.10 0.00 -0.53 0.00 0.00 39.78 40.45 1paq n ASN 578 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1paq s VAL 579 N 0.27 1.68 0.53 3.44 0.11 -0.80 -5.16 120.40 120.46 1paq s VAL 579 Ca 0.26 -2.13 0.09 0.00 -2.93 0.00 0.00 61.98 57.26 1paq s VAL 579 Cb 0.25 -2.45 0.06 0.00 -1.53 0.00 0.00 36.38 32.70 1paq s VAL 579 CO -0.15 -0.30 0.66 0.42 -3.33 0.00 0.00 175.10 172.40 1paq s THR 580 N -2.99 2.29 0.54 5.04 -4.23 -1.26 -4.92 115.64 110.11 1paq s THR 580 Ca 0.30 -1.10 0.33 0.00 -1.18 0.00 0.00 61.69 60.04 1paq s THR 580 Cb 0.03 -2.39 0.37 0.00 1.34 0.00 0.00 72.50 71.85 1paq s THR 580 CO 0.12 0.00 2.23 1.88 -0.54 0.00 0.00 174.62 178.31 1paq h TYR 581 N 0.42 0.00 -0.18 3.99 -1.99 -1.98 -1.42 116.97 115.82 1paq h TYR 581 Ca -0.34 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.38 1paq h TYR 581 Cb 1.29 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.01 1paq h TYR 581 CO 0.51 0.03 0.05 1.25 -0.00 0.00 0.00 178.16 180.00 1paq h HIS 582 N 0.00 0.29 -0.93 4.88 2.76 -1.94 0.11 115.15 120.32 1paq h HIS 582 Ca -0.00 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1paq h HIS 582 Cb 0.11 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 28.94 1paq h HIS 582 CO 0.00 0.40 0.61 0.93 -1.30 0.00 0.00 177.93 178.57 1paq h GLU 583 N 0.10 1.24 -0.27 5.26 3.07 -1.67 -1.25 114.58 121.06 1paq h GLU 583 Ca 0.06 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1paq h GLU 583 Cb 0.26 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1paq h GLU 583 CO -0.00 0.83 0.11 0.28 -1.40 0.00 0.00 179.01 178.83 1paq h VAL 584 N 1.27 1.17 -0.52 3.13 2.07 -0.96 -0.77 116.25 121.63 1paq h VAL 584 Ca 0.34 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1paq h VAL 584 Cb -0.13 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1paq h VAL 584 CO -0.07 0.17 0.29 0.03 0.02 0.00 0.00 177.57 178.00 1paq h ARG 585 N 0.29 0.54 -0.17 1.57 3.08 -0.23 0.50 114.38 119.97 1paq h ARG 585 Ca 0.09 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1paq h ARG 585 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1paq h ARG 585 CO -0.01 0.36 0.04 0.82 -1.07 0.00 0.00 179.97 180.11 1paq h ILE 586 N 0.56 0.93 -0.27 2.04 2.04 -0.92 0.12 117.51 122.01 1paq h ILE 586 Ca 0.22 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1paq h ILE 586 Cb 0.09 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1paq h ILE 586 CO -0.13 0.02 0.18 0.00 0.00 0.00 0.00 178.15 178.21 1paq h ALA 587 N 1.12 0.35 -0.31 1.87 0.00 -0.68 -1.36 119.26 120.24 1paq h ALA 587 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1paq h ALA 587 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1paq h ALA 587 CO -0.10 -0.17 0.10 1.15 0.00 0.00 0.00 179.25 180.23 1paq h THR 588 N 0.36 1.20 -0.28 0.00 2.02 -0.69 -1.96 112.91 113.57 1paq h THR 588 Ca 0.10 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1paq h THR 588 Cb -0.02 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1paq h THR 588 CO -0.02 0.22 0.09 0.40 0.37 0.00 0.00 175.52 176.58 1paq h ILE 589 N 0.35 1.19 -0.03 3.11 2.04 -0.64 -1.37 117.51 122.16 1paq h ILE 589 Ca 0.10 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 1paq h ILE 589 Cb 0.25 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1paq h ILE 589 CO -0.00 0.20 -0.29 0.71 0.00 0.00 0.00 178.15 178.77 1paq h THR 590 N 0.29 1.22 0.12 -0.27 1.35 -1.24 -0.75 112.91 113.63 1paq h THR 590 Ca 0.09 -1.05 -0.01 0.00 -0.55 0.00 0.00 66.41 64.89 1paq h THR 590 Cb 0.23 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1paq h THR 590 CO -0.00 0.31 -0.06 0.00 -0.25 0.00 0.00 175.52 175.51 1paq h ALA 591 N 1.66 -0.17 0.05 6.62 0.00 -1.02 -1.14 119.26 125.27 1paq h ALA 591 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1paq h ALA 591 Cb 0.54 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1paq h ALA 591 CO 0.04 -0.46 -0.04 -0.07 0.00 0.00 0.00 179.25 178.72 1paq h LEU 592 N -0.44 -0.10 -2.08 0.00 4.07 -1.02 -2.61 115.31 113.12 1paq h LEU 592 Ca -0.02 0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.98 1paq h LEU 592 Cb 0.35 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.12 1paq h LEU 592 CO 0.03 -0.07 0.07 -0.07 -1.08 0.00 0.00 178.44 177.32 1paq h LEU 593 N -0.10 0.00 -0.19 1.67 3.38 -1.12 -0.95 115.31 118.00 1paq h LEU 593 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1paq h LEU 593 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1paq h LEU 593 CO -0.00 0.00 -0.27 0.03 0.09 0.00 0.00 178.44 178.28 1paq h ARG 594 N 0.00 0.52 -0.59 1.13 3.08 -0.88 -0.69 114.38 116.95 1paq h ARG 594 Ca 0.04 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1paq h ARG 594 Cb 0.19 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1paq h ARG 594 CO -0.00 0.90 0.26 -0.09 -1.07 0.00 0.00 179.97 179.98 1paq h ARG 595 N 0.18 0.84 -0.25 0.04 2.43 -0.96 0.18 114.38 116.84 1paq h ARG 595 Ca 0.02 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1paq h ARG 595 Cb 0.85 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1paq h ARG 595 CO 0.06 0.67 0.04 0.28 -1.51 0.00 0.00 179.97 179.51 1paq h VAL 596 N 0.84 1.23 -0.04 0.20 2.07 -1.07 -1.77 116.25 117.71 1paq h VAL 596 Ca 0.20 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1paq h VAL 596 Cb 0.12 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1paq h VAL 596 CO -0.02 0.25 -0.10 0.22 0.02 0.00 0.00 177.57 177.93 1paq h TYR 597 N 0.22 -0.26 -0.47 1.57 3.20 -0.37 -1.91 116.97 118.95 1paq h TYR 597 Ca 0.08 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.04 1paq h TYR 597 Cb 0.34 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 1paq h TYR 597 CO 0.02 -0.16 0.08 1.25 -1.64 0.00 0.00 178.16 177.72 1paq h HIS 598 N -0.16 0.13 -0.83 -3.82 2.76 -0.57 0.14 115.15 112.80 1paq h HIS 598 Ca 0.05 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.34 1paq h HIS 598 Cb 0.23 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.13 1paq h HIS 598 CO -0.18 -0.01 0.49 0.74 -1.30 0.00 0.00 177.93 177.66 1paq h PHE 599 N 0.21 0.89 -0.01 5.26 0.04 -0.86 -2.17 116.94 120.31 1paq h PHE 599 Ca 0.23 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 61.00 1paq h PHE 599 Cb 0.31 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1paq h PHE 599 CO -0.23 0.38 -0.13 0.82 -0.60 0.00 0.00 178.31 178.56 1paq h ILE 600 N 0.83 1.53 -0.25 -0.55 2.04 -0.46 -1.29 117.51 119.36 1paq h ILE 600 Ca 0.39 -1.75 0.05 0.00 1.00 0.00 0.00 64.86 64.56 1paq h ILE 600 Cb 0.32 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1paq h ILE 600 CO -0.23 0.47 0.17 0.00 0.00 0.00 0.00 178.15 178.57 1paq h ALA 601 N 0.31 2.11 -0.41 1.87 0.00 -0.63 -0.47 119.26 122.03 1paq h ALA 601 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1paq h ALA 601 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1paq h ALA 601 CO 0.03 -0.16 0.00 0.25 0.00 0.00 0.00 179.25 179.36 1paq n THR 602 N -4.48 0.54 -2.83 0.00 -2.24 -0.83 -4.93 114.28 99.51 1paq n THR 602 Ca 0.02 -0.63 -0.20 0.00 -2.27 0.00 0.00 64.05 60.98 1paq n THR 602 Cb 0.26 0.49 0.01 0.00 -2.10 0.00 0.00 70.33 68.98 1paq n THR 602 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1paq n GLN 603 N 0.97 -3.23 0.12 -0.78 6.02 -0.19 -4.85 117.38 115.44 1paq n GLN 603 Ca 0.18 0.75 0.07 0.00 -0.01 0.00 0.00 57.00 57.98 1paq n GLN 603 Cb 0.45 -5.47 0.02 0.00 1.02 0.00 0.00 30.24 26.26 1paq n GLN 603 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1paq h THR 604 N -0.66 0.33 -2.08 5.09 2.02 -1.47 -3.47 112.91 112.66 1paq h THR 604 Ca -0.44 -1.54 -0.06 0.00 0.77 0.00 0.00 66.41 65.15 1paq h THR 604 Cb 1.31 1.95 -0.20 0.00 -1.74 0.00 0.00 68.15 69.47 1paq h THR 604 CO 0.51 0.19 0.14 -0.76 0.37 0.00 0.00 175.52 175.96 1paq s LEU 605 N -5.90 -0.56 0.94 2.58 1.43 -1.08 -5.04 118.68 111.04 1paq s LEU 605 Ca 0.01 0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 53.86 1paq s LEU 605 Cb 0.08 2.42 0.15 0.00 0.03 0.00 0.00 46.19 48.87 1paq s LEU 605 CO 0.76 -0.50 1.11 -0.83 0.23 0.00 0.00 176.35 177.12 1paq s GLY 606 N -0.78 1.58 0.00 -3.19 0.00 -1.26 -3.96 107.32 99.71 1paq s GLY 606 Ca -0.08 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1paq s GLY 606 CO 0.07 0.16 0.96 -1.05 0.00 0.00 0.00 173.10 173.25 1paq n PRO 607 N -3.92 0.00 -0.09 2.90 -0.02 -1.26 -0.42 135.00 132.18 1paq n PRO 607 Ca 0.06 0.79 -0.07 0.00 -2.02 0.00 0.00 63.50 62.25 1paq n PRO 607 Cb 0.58 -1.46 -0.01 0.00 -0.02 0.00 0.00 33.50 32.59 1paq n PRO 607 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1paq h LYS 608 N 0.00 -0.22 -0.72 -0.52 3.64 -1.93 -1.12 116.57 115.70 1paq h LYS 608 Ca 0.00 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.52 1paq h LYS 608 Cb 0.00 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.78 1paq h LYS 608 CO 0.00 -0.15 0.30 -0.44 -2.27 0.00 0.00 179.45 176.89 1paq h ASP 609 N -0.23 0.30 -0.35 4.20 3.45 -1.90 0.02 116.42 121.92 1paq h ASP 609 Ca 0.17 0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.72 1paq h ASP 609 Cb 0.49 0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.31 1paq h ASP 609 CO -0.48 0.14 0.20 0.00 -1.57 0.00 0.00 179.24 177.54 1paq h ALA 610 N 1.50 0.45 0.04 3.45 0.00 0.43 0.14 119.26 125.27 1paq h ALA 610 Ca 0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1paq h ALA 610 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1paq h ALA 610 CO -0.36 -0.04 -0.02 0.28 0.00 0.00 0.00 179.25 179.12 1paq h VAL 611 N 0.45 1.01 -0.51 0.00 2.07 -0.53 -2.13 116.25 116.62 1paq h VAL 611 Ca 0.12 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1paq h VAL 611 Cb 0.04 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1paq h VAL 611 CO -0.02 0.04 0.25 0.58 0.02 0.00 0.00 177.57 178.44 1paq h VAL 612 N -0.12 0.95 -0.69 2.57 2.07 -0.81 0.23 116.25 120.46 1paq h VAL 612 Ca -0.01 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1paq h VAL 612 Cb 0.10 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 1paq h VAL 612 CO 0.01 0.09 0.38 0.50 0.02 0.00 0.00 177.57 178.56 1paq h LYS 613 N 0.49 0.66 0.00 1.57 3.11 -0.54 -1.12 116.57 120.74 1paq h LYS 613 Ca 0.22 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 58.02 1paq h LYS 613 Cb 0.14 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.22 1paq h LYS 613 CO -0.16 0.43 -0.00 0.28 -2.81 0.00 0.00 179.45 177.19 1paq h VAL 614 N 0.67 0.64 -0.54 2.00 2.07 -0.88 -3.36 116.25 116.84 1paq h VAL 614 Ca 0.32 -1.48 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 1paq h VAL 614 Cb 0.24 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1paq h VAL 614 CO -0.21 0.22 0.04 -0.26 0.02 0.00 0.00 177.57 177.38 1paq h PHE 615 N -1.00 1.00 -0.81 1.57 0.04 -0.59 -0.42 116.94 116.73 1paq h PHE 615 Ca -0.00 -0.16 0.16 0.00 2.80 0.00 0.00 57.97 60.78 1paq h PHE 615 Cb 0.35 -0.27 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 1paq h PHE 615 CO 0.10 0.90 0.54 -0.91 -0.60 0.00 0.00 178.31 178.34 1paq h ASN 616 N 0.81 0.41 0.00 2.17 -0.26 -1.37 0.47 115.58 117.81 1paq h ASN 616 Ca 0.16 0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.87 1paq h ASN 616 Cb 0.48 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 1paq h ASN 616 CO 0.02 0.20 -0.65 -0.61 -1.06 0.00 0.00 177.43 175.33 1paq h GLN 617 N 0.43 0.00 0.00 0.81 4.15 -1.68 -3.43 115.11 115.39 1paq h GLN 617 Ca 0.40 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.82 1paq h GLN 617 Cb 0.94 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.63 1paq h GLN 617 CO -0.14 0.24 -0.56 -1.49 -1.93 0.00 0.00 178.83 174.95 1paq h TRP 618 N -1.00 0.00 0.00 3.99 4.06 -1.03 -3.33 115.95 118.64 1paq h TRP 618 Ca -0.08 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.87 1paq h TRP 618 Cb 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.83 1paq h TRP 618 CO -0.13 0.00 0.04 0.78 -3.56 0.00 0.00 178.44 175.57 1paq h GLY 619 N 4.20 0.00 2.00 1.49 0.00 -0.19 -0.28 103.07 110.28 1paq h GLY 619 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1paq h GLY 619 CO 0.00 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.89 1paq h LEU 620 N 0.00 0.00 -1.99 3.11 3.38 -1.72 -1.92 115.31 116.17 1paq h LEU 620 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1paq h LEU 620 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1paq h LEU 620 CO 0.00 0.06 -0.03 -0.07 0.09 0.00 0.00 178.44 178.49 1paq h LEU 621 N 0.00 0.00 -1.38 1.67 3.38 -1.32 -2.70 115.31 114.96 1paq h LEU 621 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1paq h LEU 621 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1paq h LEU 621 CO 0.01 0.03 0.17 -0.26 0.09 0.00 0.00 178.44 178.47 1paq h PHE 622 N 0.00 0.58 0.00 1.13 0.04 -1.53 -2.62 116.94 114.54 1paq h PHE 622 Ca -0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1paq h PHE 622 Cb 0.05 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.02 1paq h PHE 622 CO 0.00 0.46 0.00 0.36 -0.60 0.00 0.00 178.31 178.53 1paq n LYS 623 N -4.38 0.09 -0.51 1.51 2.85 -1.02 -0.86 118.16 115.85 1paq n LYS 623 Ca 0.03 0.54 0.06 0.00 -1.05 0.00 0.00 58.31 57.88 1paq n LYS 623 Cb 0.15 -1.77 0.20 0.00 -0.65 0.00 0.00 35.03 32.95 1paq n LYS 623 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1paq n ARG 624 N -1.97 1.59 0.00 -1.58 1.74 -0.99 -4.41 116.66 111.04 1paq n ARG 624 Ca -0.00 -3.14 0.00 0.00 -0.77 0.00 0.00 57.85 53.94 1paq n ARG 624 Cb 0.06 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 1paq n ARG 624 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1paq n GLN 625 N -1.17 -0.05 -3.70 5.56 6.02 -0.04 -5.02 117.38 118.98 1paq n GLN 625 Ca 0.20 -0.30 -0.12 0.00 -0.01 0.00 0.00 57.00 56.78 1paq n GLN 625 Cb 0.72 -0.66 -0.12 0.00 1.02 0.00 0.00 30.24 31.20 1paq n GLN 625 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1paq s ALA 626 N -0.07 -0.77 -0.07 -1.58 0.00 -1.04 -4.80 121.76 113.45 1paq s ALA 626 Ca 0.00 1.20 0.03 0.00 0.00 0.00 0.00 51.96 53.18 1paq s ALA 626 Cb 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1paq s ALA 626 CO 0.00 -0.36 0.09 1.19 0.00 0.00 0.00 175.76 176.67 1paq n PHE 627 N 4.58 0.00 -4.33 0.00 3.72 -1.26 -4.81 117.46 115.36 1paq n PHE 627 Ca -0.19 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.03 1paq n PHE 627 Cb 0.53 -0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 38.94 1paq n PHE 627 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1paq s ASP 628 N -1.72 1.39 0.15 4.37 1.47 -1.26 -5.05 116.67 116.01 1paq s ASP 628 Ca 0.00 -1.45 -0.26 0.00 1.18 0.00 0.00 52.55 52.01 1paq s ASP 628 Cb 0.02 0.25 0.00 0.00 -0.34 0.00 0.00 42.92 42.85 1paq s ASP 628 CO 0.11 -0.79 1.58 -0.08 0.68 0.00 0.00 175.17 176.67 1paq h GLU 629 N 2.30 -0.33 -0.22 2.11 4.81 -1.99 -1.59 114.58 119.67 1paq h GLU 629 Ca -0.37 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1paq h GLU 629 Cb 1.25 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1paq h GLU 629 CO 0.58 -0.22 0.10 1.05 -0.73 0.00 0.00 179.01 179.78 1paq h GLU 630 N -0.35 0.29 0.00 1.92 4.11 -1.98 0.56 114.58 119.14 1paq h GLU 630 Ca 0.13 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.46 1paq h GLU 630 Cb 0.58 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1paq h GLU 630 CO -0.53 0.24 -0.35 0.93 0.07 0.00 0.00 179.01 179.37 1paq h GLU 631 N 0.30 0.00 0.05 1.06 5.08 -1.73 0.52 114.58 119.86 1paq h GLU 631 Ca 0.08 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.20 1paq h GLU 631 Cb 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1paq h GLU 631 CO -0.01 0.35 -1.09 1.88 -1.00 0.00 0.00 179.01 179.14 1paq h TYR 632 N 0.00 0.21 -0.39 4.33 0.05 -0.49 -0.93 116.97 119.75 1paq h TYR 632 Ca -0.00 -0.15 -0.07 0.00 0.05 0.00 0.00 58.73 58.55 1paq h TYR 632 Cb 0.66 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 1paq h TYR 632 CO 0.00 1.11 -0.04 0.82 -1.05 0.00 0.00 178.16 179.00 1paq h ILE 633 N 0.03 1.27 -0.70 -2.88 2.04 -0.17 -2.72 117.51 114.39 1paq h ILE 633 Ca -0.06 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 1paq h ILE 633 Cb 1.83 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 1paq h ILE 633 CO 0.16 0.36 0.38 -0.78 0.00 0.00 0.00 178.15 178.27 1paq h ASP 634 N 0.54 0.87 0.00 1.72 3.58 0.04 -0.96 116.42 122.20 1paq h ASP 634 Ca 0.11 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1paq h ASP 634 Cb 0.53 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1paq h ASP 634 CO 0.03 0.72 0.00 -0.11 -2.88 0.00 0.00 179.24 177.00 1paq n LEU 635 N -4.50 0.00 0.00 2.28 -0.00 -0.36 -1.11 117.00 113.32 1paq n LEU 635 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1paq n LEU 635 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 1paq n LEU 635 CO 0.38 0.00 0.00 0.59 -0.00 0.00 0.00 177.39 178.36 1paq n ASN 637 N -0.07 0.00 -0.11 1.96 3.02 -0.37 -2.19 115.26 117.50 1paq n ASN 637 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1paq n ASN 637 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1paq n ASN 637 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1paq h ILE 638 N 0.00 1.10 0.00 2.41 2.04 -1.39 0.40 117.51 122.07 1paq h ILE 638 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1paq h ILE 638 Cb 0.00 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1paq h ILE 638 CO 0.00 0.09 0.00 -0.38 0.00 0.00 0.00 178.15 177.86 1paq n ILE 639 N -4.83 0.00 0.00 -0.67 5.41 -0.93 0.44 119.36 118.77 1paq n ILE 639 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1paq n ILE 639 Cb 0.03 -0.06 0.00 0.00 -0.71 0.00 0.00 39.64 38.90 1paq n ILE 639 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1paq n GLU 641 N 0.30 0.00 0.21 0.38 1.02 0.13 -1.38 120.64 121.30 1paq n GLU 641 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1paq n GLU 641 Cb 0.00 0.00 0.45 0.00 -0.02 0.00 0.00 31.44 31.87 1paq n GLU 641 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1paq h LYS 642 N 0.00 0.00 -0.24 3.49 1.79 -0.26 -1.41 116.57 119.94 1paq h LYS 642 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1paq h LYS 642 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1paq h LYS 642 CO 0.00 0.28 0.00 0.82 -1.08 0.00 0.00 179.45 179.48 1paq h ILE 643 N 0.00 1.25 -0.61 1.86 2.04 -1.44 0.38 117.51 121.00 1paq h ILE 643 Ca -0.00 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1paq h ILE 643 Cb 0.53 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1paq h ILE 643 CO 0.04 0.28 0.37 0.58 0.00 0.00 0.00 178.15 179.42 1paq h VAL 644 N 0.20 1.18 -0.77 1.67 2.07 -1.74 -1.48 116.25 117.37 1paq h VAL 644 Ca 0.07 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1paq h VAL 644 Cb 0.40 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1paq h VAL 644 CO 0.01 0.18 0.33 -0.08 0.02 0.00 0.00 177.57 178.03 1paq h GLU 645 N 0.82 1.13 0.00 1.57 4.81 -1.08 -1.96 114.58 119.87 1paq h GLU 645 Ca 0.22 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1paq h GLU 645 Cb -0.03 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 1paq h GLU 645 CO -0.04 0.90 -0.03 0.37 -0.73 0.00 0.00 179.01 179.48 1paq h GLN 646 N 1.11 0.00 -5.71 1.92 5.75 -0.57 -3.48 115.11 114.13 1paq h GLN 646 Ca 0.26 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.63 1paq h GLN 646 Cb 0.18 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.74 1paq h GLN 646 CO -0.03 0.03 -0.29 -1.13 -2.65 0.00 0.00 178.83 174.76 1paq n SER 647 N -3.12 -7.04 -4.89 -0.69 3.41 -0.59 -5.02 113.62 95.68 1paq n SER 647 Ca 0.02 -0.31 -0.30 0.00 -0.26 0.00 0.00 58.87 58.02 1paq n SER 647 Cb 0.40 -4.43 0.04 0.00 -0.26 0.00 0.00 64.21 59.97 1paq n SER 647 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1paq s PHE 648 N -3.02 3.35 0.01 7.33 0.08 -1.25 -5.00 117.98 119.48 1paq s PHE 648 Ca 0.02 1.03 0.13 0.00 0.12 0.00 0.00 56.93 58.23 1paq s PHE 648 Cb -0.00 -3.01 0.08 0.00 -0.57 0.00 0.00 43.02 39.51 1paq s PHE 648 CO 0.79 -1.10 1.44 -0.44 -0.10 0.00 0.00 175.22 175.80 1paq h ASP 649 N -0.58 0.00 -2.12 1.36 3.32 -1.97 -3.34 116.42 113.09 1paq h ASP 649 Ca -0.45 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.05 1paq h ASP 649 Cb 1.25 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.38 1paq h ASP 649 CO 0.63 0.66 -0.83 2.29 -1.72 0.00 0.00 179.24 180.27 1paq n LYS 650 N -3.35 2.50 -0.24 3.56 -0.00 -1.26 -4.95 118.16 114.42 1paq n LYS 650 Ca 0.01 -4.34 0.10 0.00 -0.00 0.00 0.00 58.31 54.07 1paq n LYS 650 Cb 0.77 -2.05 0.19 0.00 -0.00 0.00 0.00 35.03 33.94 1paq n LYS 650 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1paq n PRO 651 N -0.10 -0.06 -0.35 -1.58 -0.02 -1.26 0.80 135.00 132.44 1paq n PRO 651 Ca 0.29 1.05 0.02 0.00 -2.02 0.00 0.00 63.50 62.84 1paq n PRO 651 Cb 0.50 -1.66 0.18 0.00 -0.02 0.00 0.00 33.50 32.50 1paq n PRO 651 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1paq h ASP 652 N 0.00 1.03 -0.10 2.55 -0.00 -1.69 -1.45 116.42 116.76 1paq h ASP 652 Ca 0.41 0.00 -0.18 0.00 -0.00 0.00 0.00 57.03 57.27 1paq h ASP 652 Cb 0.84 -0.22 -0.00 0.00 -0.00 0.00 0.00 39.33 39.94 1paq h ASP 652 CO -0.66 0.68 -0.57 0.25 -0.00 0.00 0.00 179.24 178.94 1paq h LEU 653 N 1.18 0.78 -0.33 0.15 5.85 0.08 -1.71 115.31 121.31 1paq h LEU 653 Ca 0.41 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1paq h LEU 653 Cb 0.11 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1paq h LEU 653 CO -0.15 1.18 0.09 0.40 -0.34 0.00 0.00 178.44 179.63 1paq h ILE 654 N 0.53 1.21 -0.28 4.05 1.08 -1.07 -1.09 117.51 121.94 1paq h ILE 654 Ca 0.01 -0.70 -0.14 0.00 -0.39 0.00 0.00 64.86 63.63 1paq h ILE 654 Cb 1.14 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.93 1paq h ILE 654 CO 0.12 0.24 -0.39 0.25 -0.69 0.00 0.00 178.15 177.67 1paq h LEU 655 N 0.38 0.71 -0.42 1.44 7.12 -1.29 -1.50 115.31 121.75 1paq h LEU 655 Ca 0.11 -0.31 -0.12 0.00 0.13 0.00 0.00 57.88 57.68 1paq h LEU 655 Cb 0.27 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 1paq h LEU 655 CO -0.00 1.02 -0.20 0.15 -0.13 0.00 0.00 178.44 179.28 1paq h PHE 656 N 0.55 1.00 -0.29 1.25 3.57 -1.23 -2.24 116.94 119.55 1paq h PHE 656 Ca 0.05 -0.25 -0.06 0.00 3.53 0.00 0.00 57.97 61.24 1paq h PHE 656 Cb 0.92 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1paq h PHE 656 CO 0.04 1.03 -0.04 0.77 -2.23 0.00 0.00 178.31 177.88 1paq h SER 657 N 0.69 0.54 -0.11 0.41 0.02 -1.13 -1.87 113.55 112.11 1paq h SER 657 Ca 0.09 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1paq h SER 657 Cb 0.77 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1paq h SER 657 CO 0.06 0.76 0.07 0.00 -1.14 0.00 0.00 176.83 176.58 1paq h ALA 658 N 0.80 0.14 -0.71 3.77 0.00 -1.26 -1.16 119.26 120.84 1paq h ALA 658 Ca 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1paq h ALA 658 Cb 0.51 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1paq h ALA 658 CO 0.02 -0.35 0.22 -0.07 0.00 0.00 0.00 179.25 179.08 1paq h LEU 659 N 0.11 1.01 -0.66 0.00 3.38 -1.42 -2.44 115.31 115.29 1paq h LEU 659 Ca 0.04 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1paq h LEU 659 Cb 0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1paq h LEU 659 CO -0.01 0.94 0.18 0.58 0.09 0.00 0.00 178.44 180.22 1paq h VAL 660 N 1.05 1.26 -0.14 1.22 2.07 -1.11 0.01 116.25 120.60 1paq h VAL 660 Ca 0.23 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1paq h VAL 660 Cb 0.29 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1paq h VAL 660 CO -0.01 0.35 0.05 -1.28 0.02 0.00 0.00 177.57 176.70 1paq h SER 661 N 0.98 0.05 -0.63 0.57 0.87 -1.00 0.15 113.55 114.53 1paq h SER 661 Ca 0.21 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1paq h SER 661 Cb 0.34 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1paq h SER 661 CO -0.00 0.05 0.41 -0.07 -0.53 0.00 0.00 176.83 176.69 1paq h LEU 662 N 0.12 0.70 -0.60 2.23 3.38 -1.20 -1.49 115.31 118.44 1paq h LEU 662 Ca 0.06 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1paq h LEU 662 Cb 0.03 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1paq h LEU 662 CO -0.06 0.50 0.38 0.22 0.09 0.00 0.00 178.44 179.58 1paq h TYR 663 N 0.83 0.72 0.00 1.13 3.20 -0.44 -0.81 116.97 121.60 1paq h TYR 663 Ca 0.24 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 1paq h TYR 663 Cb -0.07 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 1paq h TYR 663 CO -0.04 0.44 -0.26 -0.44 -1.64 0.00 0.00 178.16 176.22 1paq h ASP 664 N 0.77 0.00 -0.41 -2.11 3.32 -0.24 -2.35 116.42 115.40 1paq h ASP 664 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1paq h ASP 664 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1paq h ASP 664 CO -0.07 0.26 0.00 0.59 -1.72 0.00 0.00 179.24 178.30 1paq n ASN 665 N -3.93 2.60 -1.67 6.45 3.02 -0.61 -4.94 115.26 116.17 1paq n ASN 665 Ca -0.02 -1.93 -0.18 0.00 -0.03 0.00 0.00 54.58 52.43 1paq n ASN 665 Cb 0.34 -0.27 -0.04 0.00 -0.61 0.00 0.00 39.78 39.20 1paq n ASN 665 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1paq n ASP 666 N 0.92 -5.15 0.06 6.41 8.00 -0.73 -4.87 116.55 121.20 1paq n ASP 666 Ca 0.17 0.22 -0.08 0.00 0.71 0.00 0.00 54.79 55.82 1paq n ASP 666 Cb 0.44 -4.21 -0.12 0.00 -0.02 0.00 0.00 41.12 37.20 1paq n ASP 666 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1paq h ILE 667 N 0.00 1.66 -4.01 0.53 2.04 -1.42 -3.45 117.51 112.86 1paq h ILE 667 Ca -0.39 -3.37 -0.39 0.00 1.00 0.00 0.00 64.86 61.72 1paq h ILE 667 Cb 1.23 2.84 -0.26 0.00 -0.74 0.00 0.00 36.82 39.89 1paq h ILE 667 CO 0.51 0.95 -0.77 0.27 0.00 0.00 0.00 178.15 179.11 1paq s ILE 668 N -2.70 0.81 0.32 -0.67 -4.36 -1.23 -4.93 121.20 108.44 1paq s ILE 668 Ca 0.00 -0.72 0.07 0.00 -0.26 0.00 0.00 60.65 59.74 1paq s ILE 668 Cb 0.10 -0.73 -0.06 0.00 1.25 0.00 0.00 42.46 43.01 1paq s ILE 668 CO 0.82 0.02 -0.03 -1.83 0.24 0.00 0.00 174.94 174.16 1paq s GLU 669 N -0.79 1.69 0.26 0.37 4.04 -1.26 -4.34 118.70 118.67 1paq s GLU 669 Ca 0.00 -1.89 -0.04 0.00 0.04 0.00 0.00 54.97 53.08 1paq s GLU 669 Cb -0.06 -1.27 0.51 0.00 0.02 0.00 0.00 34.13 33.33 1paq s GLU 669 CO 0.00 -0.01 1.65 1.05 -1.84 0.00 0.00 175.26 176.12 1paq h GLU 670 N 2.11 0.17 0.20 -4.83 9.09 -1.98 -1.91 114.58 117.42 1paq h GLU 670 Ca -0.41 -0.01 0.01 0.00 0.05 0.00 0.00 59.36 59.00 1paq h GLU 670 Cb 1.24 -0.04 -0.04 0.00 -1.65 0.00 0.00 28.75 28.26 1paq h GLU 670 CO 0.71 0.11 -0.45 -0.44 0.05 0.00 0.00 179.01 178.99 1paq h ASP 671 N 0.17 -1.31 -0.45 3.06 3.32 -2.00 0.71 116.42 119.92 1paq h ASP 671 Ca 0.45 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.61 1paq h ASP 671 Cb 0.82 0.48 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1paq h ASP 671 CO -0.62 -0.53 0.21 0.58 -1.72 0.00 0.00 179.24 177.15 1paq h VAL 672 N -0.74 1.18 -0.63 -1.35 2.07 -1.92 -2.30 116.25 112.56 1paq h VAL 672 Ca 0.00 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1paq h VAL 672 Cb 0.73 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1paq h VAL 672 CO -0.21 0.22 0.36 0.40 0.02 0.00 0.00 177.57 178.36 1paq h ILE 673 N 0.71 1.20 -0.36 4.57 2.04 -0.71 0.73 117.51 125.69 1paq h ILE 673 Ca 0.17 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1paq h ILE 673 Cb 0.13 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1paq h ILE 673 CO -0.02 0.21 0.09 1.88 0.00 0.00 0.00 178.15 180.31 1paq h TYR 674 N 0.86 0.60 0.02 1.37 0.05 -0.50 -0.49 116.97 118.89 1paq h TYR 674 Ca 0.22 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.95 1paq h TYR 674 Cb 0.02 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 1paq h TYR 674 CO -0.01 0.60 -0.14 0.87 -1.05 0.00 0.00 178.16 178.43 1paq h LYS 675 N 0.43 -0.24 -0.11 4.88 1.79 -1.13 0.32 116.57 122.50 1paq h LYS 675 Ca 0.11 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.64 1paq h LYS 675 Cb 0.30 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.95 1paq h LYS 675 CO 0.00 -0.16 -0.22 2.35 -1.08 0.00 0.00 179.45 180.34 1paq h TRP 676 N -0.25 -0.60 -0.83 -1.35 7.01 -0.69 -2.10 115.95 117.15 1paq h TRP 676 Ca 0.04 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1paq h TRP 676 Cb 0.30 0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.60 1paq h TRP 676 CO -0.19 -0.31 0.49 2.35 -2.79 0.00 0.00 178.44 178.00 1paq h TRP 677 N -0.29 1.09 0.00 2.65 2.91 -0.67 -0.61 115.95 121.03 1paq h TRP 677 Ca 0.10 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.05 1paq h TRP 677 Cb 0.43 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 28.72 1paq h TRP 677 CO -0.32 0.73 -0.30 -0.44 -1.03 0.00 0.00 178.44 177.08 1paq h ASP 678 N 1.14 0.00 -0.53 2.65 5.19 0.04 -2.89 116.42 122.02 1paq h ASP 678 Ca 0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1paq h ASP 678 Cb -0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.47 1paq h ASP 678 CO -0.05 0.30 0.00 0.59 -3.12 0.00 0.00 179.24 176.95 1paq n ASN 679 N -4.03 3.40 -4.74 6.45 3.02 -0.83 -5.02 115.26 113.52 1paq n ASN 679 Ca -0.02 -2.00 -0.35 0.00 -0.03 0.00 0.00 54.58 52.19 1paq n ASN 679 Cb 0.36 -0.35 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 1paq n ASN 679 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1paq s VAL 680 N -1.00 2.60 0.37 2.41 0.11 -0.28 -4.96 120.40 119.64 1paq s VAL 680 Ca 0.35 0.33 -0.27 0.00 -2.93 0.00 0.00 61.98 59.46 1paq s VAL 680 Cb 0.18 -3.00 -0.10 0.00 -1.53 0.00 0.00 36.38 31.94 1paq s VAL 680 CO 0.24 -0.12 1.32 -0.55 -3.33 0.00 0.00 175.10 172.66 1paq s SER 681 N -1.88 6.50 0.00 3.54 0.15 -1.26 -4.93 113.70 115.82 1paq s SER 681 Ca 0.75 2.71 0.18 0.00 0.70 0.00 0.00 55.95 60.29 1paq s SER 681 Cb -0.29 -2.65 0.48 0.00 -1.71 0.00 0.00 66.02 61.86 1paq s SER 681 CO 0.38 -0.72 1.40 0.35 1.20 0.00 0.00 173.24 175.85 1paq n THR 682 N 0.44 0.93 -1.68 6.45 -2.24 -1.26 -4.95 114.28 111.98 1paq n THR 682 Ca 0.02 -0.97 -0.46 0.00 -2.27 0.00 0.00 64.05 60.37 1paq n THR 682 Cb 0.42 0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 69.17 1paq n THR 682 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1paq n ASP 683 N 1.16 3.38 0.30 3.42 -0.08 -1.26 -4.78 116.55 118.69 1paq n ASP 683 Ca 0.18 1.03 0.14 0.00 -1.51 0.00 0.00 54.79 54.63 1paq n ASP 683 Cb 0.53 -1.42 0.69 0.00 2.34 0.00 0.00 41.12 43.25 1paq n ASP 683 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1paq h PRO 684 N 7.57 0.00 0.00 -0.67 0.11 -2.02 -0.19 132.00 136.80 1paq h PRO 684 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1paq h PRO 684 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1paq h PRO 684 CO 0.92 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 181.60 1paq n ARG 685 N -2.91 0.13 -0.08 1.05 1.85 -1.26 -0.66 116.66 114.77 1paq n ARG 685 Ca -0.00 0.63 0.07 0.00 -1.00 0.00 0.00 57.85 57.54 1paq n ARG 685 Cb 0.51 -1.92 0.11 0.00 -1.05 0.00 0.00 32.46 30.11 1paq n ARG 685 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1paq n TYR 686 N -2.20 0.22 -0.16 2.89 4.01 -0.08 -4.62 117.16 117.22 1paq n TYR 686 Ca -0.01 -0.18 -0.03 0.00 -0.16 0.00 0.00 57.90 57.51 1paq n TYR 686 Cb 0.03 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 39.12 1paq n TYR 686 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1paq h ASP 687 N 2.70 0.16 0.63 7.72 3.32 -1.03 -2.32 116.42 127.59 1paq h ASP 687 Ca 0.00 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1paq h ASP 687 Cb 0.66 0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.28 1paq h ASP 687 CO 0.00 0.12 -0.30 -0.08 -1.72 0.00 0.00 179.24 177.25 1paq h GLU 688 N 0.34 -0.81 -0.02 3.56 4.81 -1.82 -2.91 114.58 117.73 1paq h GLU 688 Ca 0.24 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1paq h GLU 688 Cb 0.27 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1paq h GLU 688 CO -0.26 -0.51 0.06 -0.39 -0.73 0.00 0.00 179.01 177.19 1paq h VAL 689 N -0.95 0.18 0.00 0.32 -1.51 -1.83 -2.50 116.25 109.96 1paq h VAL 689 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1paq h VAL 689 Cb 0.68 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1paq h VAL 689 CO 0.14 0.00 -0.76 0.11 -1.23 0.00 0.00 177.57 175.83 1paq h LYS 690 N 0.00 0.00 -0.96 5.19 1.57 -1.29 -3.35 116.57 117.73 1paq h LYS 690 Ca 0.01 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1paq h LYS 690 Cb 0.14 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.31 1paq h LYS 690 CO -0.00 0.00 -0.48 1.63 -0.57 0.00 0.00 179.45 180.03 1paq n LYS 691 N -2.26 -0.34 -0.04 3.15 5.02 -0.94 -0.89 118.16 121.85 1paq n LYS 691 Ca 0.02 1.46 -0.13 0.00 -2.02 0.00 0.00 58.31 57.64 1paq n LYS 691 Cb 0.47 -2.15 -0.11 0.00 -0.02 0.00 0.00 35.03 33.21 1paq n LYS 691 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1paq h LEU 692 N 0.00 -0.01 -2.13 -0.35 5.85 -1.81 -3.32 115.31 113.54 1paq h LEU 692 Ca 0.23 -0.77 0.06 0.00 0.84 0.00 0.00 57.88 58.24 1paq h LEU 692 Cb 0.47 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1paq h LEU 692 CO -0.92 0.79 0.18 0.00 -0.34 0.00 0.00 178.44 178.14 1paq h THR 693 N -0.84 0.68 -0.55 1.05 1.03 -1.75 -1.30 112.91 111.23 1paq h THR 693 Ca -0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.31 1paq h THR 693 Cb 0.78 0.87 -0.02 0.00 -1.07 0.00 0.00 68.15 68.71 1paq h THR 693 CO 0.00 0.00 -0.01 1.62 -0.01 0.00 0.00 175.52 177.12 1paq h VAL 694 N 0.00 1.26 -0.45 0.00 3.04 -1.11 -0.83 116.25 118.16 1paq h VAL 694 Ca 0.10 -1.11 -0.14 0.00 -1.01 0.00 0.00 66.70 64.54 1paq h VAL 694 Cb 0.45 0.84 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 1paq h VAL 694 CO -0.00 0.40 -0.28 0.11 -1.01 0.00 0.00 177.57 176.79 1paq h LYS 695 N 0.88 0.98 -0.15 4.17 6.56 -1.37 -2.58 116.57 125.05 1paq h LYS 695 Ca 0.16 -0.45 0.02 0.00 -1.06 0.00 0.00 60.65 59.32 1paq h LYS 695 Cb 0.53 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.15 1paq h LYS 695 CO 0.03 1.12 0.02 2.35 -2.06 0.00 0.00 179.45 180.91 1paq h TRP 696 N 0.83 0.03 -1.00 -1.35 7.01 -0.94 0.28 115.95 120.80 1paq h TRP 696 Ca 0.09 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.13 1paq h TRP 696 Cb 0.86 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.88 1paq h TRP 696 CO 0.06 0.00 0.66 0.28 -2.79 0.00 0.00 178.44 176.65 1paq h VAL 697 N 0.07 1.21 -0.28 2.65 2.07 -1.15 0.09 116.25 120.91 1paq h VAL 697 Ca 0.07 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1paq h VAL 697 Cb 0.07 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.61 1paq h VAL 697 CO -0.10 0.24 0.12 -0.08 0.02 0.00 0.00 177.57 177.77 1paq h GLU 698 N 1.31 0.41 -0.72 1.57 4.57 -0.94 -1.70 114.58 119.08 1paq h GLU 698 Ca 0.39 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.53 1paq h GLU 698 Cb -0.06 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 1paq h GLU 698 CO -0.11 0.42 0.45 2.35 -1.18 0.00 0.00 179.01 180.94 1paq h TRP 699 N 0.30 0.83 -0.90 0.92 -0.00 0.19 -2.00 115.95 115.29 1paq h TRP 699 Ca 0.09 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 59.02 1paq h TRP 699 Cb 0.16 -0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 29.00 1paq h TRP 699 CO -0.01 0.47 0.60 -0.07 -0.00 0.00 0.00 178.44 179.43 1paq h LEU 700 N 0.86 1.04 0.11 0.65 3.38 -0.64 -0.79 115.31 119.92 1paq h LEU 700 Ca 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1paq h LEU 700 Cb 0.04 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1paq h LEU 700 CO -0.12 0.75 -0.05 1.56 0.09 0.00 0.00 178.44 180.67 1paq h GLN 701 N 1.22 -0.15 -0.82 1.13 4.20 -0.75 -2.47 115.11 117.48 1paq h GLN 701 Ca 0.33 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.11 1paq h GLN 701 Cb -0.14 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.61 1paq h GLN 701 CO -0.07 0.13 0.50 -0.91 -0.67 0.00 0.00 178.83 177.81 1paq h ASN 702 N -0.43 0.77 0.24 1.46 2.35 -1.12 -0.73 115.58 118.12 1paq h ASN 702 Ca -0.02 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1paq h ASN 702 Cb 0.35 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1paq h ASN 702 CO 0.03 0.49 0.00 0.00 -1.65 0.00 0.00 177.43 176.29 1paq n ALA 703 N -2.35 2.34 1.45 -0.83 0.00 -0.32 -5.12 120.51 115.67 1paq n ALA 703 Ca 0.12 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1paq n ALA 703 Cb 0.18 -1.40 0.69 0.00 0.00 0.00 0.00 19.45 18.92 1paq n ALA 703 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03