#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpk s ARG 549 N 0.00 1.81 0.45 5.55 1.70 -1.26 -4.69 118.95 122.51 3dpk s ARG 549 Ca 0.00 -2.08 -0.23 0.00 -0.47 0.00 0.00 55.73 52.95 3dpk s ARG 549 Cb 0.00 -0.44 -0.08 0.00 -0.57 0.00 0.00 34.95 33.86 3dpk s ARG 549 CO 0.00 -0.46 1.13 -1.58 -1.08 0.00 0.00 175.30 173.31 3dpk s TRP 550 N -3.33 2.96 -0.09 5.89 0.52 -1.25 -4.69 118.94 118.95 3dpk s TRP 550 Ca 0.29 1.56 -0.06 0.00 0.02 0.00 0.00 56.10 57.91 3dpk s TRP 550 Cb 0.04 -3.30 0.03 0.00 -1.15 0.00 0.00 33.47 29.09 3dpk s TRP 550 CO 0.16 -1.27 0.22 0.21 0.02 0.00 0.00 176.95 176.29 3dpk s LYS 551 N -2.71 0.21 -0.12 4.98 2.20 -0.19 -4.99 119.74 119.12 3dpk s LYS 551 Ca 0.63 0.40 -0.20 0.00 -0.36 0.00 0.00 55.97 56.44 3dpk s LYS 551 Cb -0.26 -0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.00 3dpk s LYS 551 CO 0.32 -0.10 0.56 0.42 -0.36 0.00 0.00 175.35 176.19 3dpk s ILE 552 N 0.73 5.12 0.39 5.43 -1.09 -1.26 -0.53 121.20 130.00 3dpk s ILE 552 Ca -0.05 1.12 0.08 0.00 -2.23 0.00 0.00 60.65 59.57 3dpk s ILE 552 Cb -0.06 -3.90 -0.06 0.00 -1.58 0.00 0.00 42.46 36.86 3dpk s ILE 552 CO -0.04 0.27 0.10 0.27 -1.23 0.00 0.00 174.94 174.31 3dpk s ILE 553 N 0.89 2.35 0.21 2.92 -4.36 -0.20 -5.00 121.20 118.02 3dpk s ILE 553 Ca 0.30 -1.83 -0.18 0.00 -0.26 0.00 0.00 60.65 58.67 3dpk s ILE 553 Cb -0.16 -2.94 -0.08 0.00 1.25 0.00 0.00 42.46 40.53 3dpk s ILE 553 CO 0.13 -0.06 0.68 -1.61 0.24 0.00 0.00 174.94 174.31 3dpk s GLU 554 N -3.81 4.16 0.00 0.37 2.02 -1.26 -4.80 118.70 115.38 3dpk s GLU 554 Ca 0.38 0.75 0.00 0.00 0.02 0.00 0.00 54.97 56.12 3dpk s GLU 554 Cb 0.04 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.42 3dpk s GLU 554 CO 0.21 0.39 0.00 0.43 0.02 0.00 0.00 175.26 176.31 3dpk n SER 555 N 0.64 0.00 -0.55 -0.19 7.64 -1.26 -5.03 113.62 114.87 3dpk n SER 555 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 3dpk n SER 555 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 3dpk n SER 555 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3dpk n SER 560 N 0.00 0.00 -4.25 6.43 7.64 -1.26 -5.05 113.62 117.13 3dpk n SER 560 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 3dpk n SER 560 Cb 0.00 -0.91 -0.16 0.00 -1.01 0.00 0.00 64.21 62.13 3dpk n SER 560 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3dpk s TYR 561 N -2.55 1.99 -0.44 1.43 5.04 -1.26 -4.95 117.35 116.61 3dpk s TYR 561 Ca 0.00 -0.38 -0.14 0.00 -2.44 0.00 0.00 57.07 54.12 3dpk s TYR 561 Cb 0.00 -1.27 0.06 0.00 0.35 0.00 0.00 41.96 41.10 3dpk s TYR 561 CO 0.00 -0.02 0.33 0.99 -1.34 0.00 0.00 175.55 175.51 3dpk s THR 562 N -0.56 4.95 -0.06 4.34 2.01 -1.26 -4.93 115.64 120.12 3dpk s THR 562 Ca 0.09 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 3dpk s THR 562 Cb -0.09 -3.91 -0.27 0.00 0.01 0.00 0.00 72.50 68.24 3dpk s THR 562 CO -0.01 -0.48 0.60 -0.26 -0.69 0.00 0.00 174.62 173.79 3dpk h PHE 563 N 8.62 0.46 -3.94 4.92 -1.00 -1.99 -3.47 116.94 120.54 3dpk h PHE 563 Ca -0.27 -0.34 -0.39 0.00 2.81 0.00 0.00 57.97 59.78 3dpk h PHE 563 Cb 1.11 -0.02 -0.21 0.00 3.61 0.00 0.00 35.95 40.43 3dpk h PHE 563 CO 0.61 1.55 -0.77 0.96 -1.61 0.00 0.00 178.31 179.05 3dpk s ILE 564 N -2.58 1.03 -0.46 -0.55 -4.36 -1.26 -5.10 121.20 107.92 3dpk s ILE 564 Ca -0.15 -1.29 -0.12 0.00 -0.26 0.00 0.00 60.65 58.83 3dpk s ILE 564 Cb 0.07 -1.02 0.09 0.00 1.25 0.00 0.00 42.46 42.85 3dpk s ILE 564 CO 0.82 -0.26 0.35 -0.62 0.24 0.00 0.00 174.94 175.47 3dpk s ASP 565 N -1.74 5.87 0.85 4.36 3.68 -1.26 -5.10 116.67 123.32 3dpk s ASP 565 Ca -0.03 -1.57 -0.10 0.00 2.13 0.00 0.00 52.55 52.98 3dpk s ASP 565 Cb -0.10 -2.08 0.10 0.00 -1.45 0.00 0.00 42.92 39.40 3dpk s ASP 565 CO 0.02 -0.64 1.11 -2.84 0.13 0.00 0.00 175.17 172.95 3dpk s PRO 566 N 1.50 1.63 -0.09 4.34 0.02 -1.26 -5.14 135.00 135.99 3dpk s PRO 566 Ca 0.04 1.29 -0.00 0.00 0.02 0.00 0.00 61.00 62.35 3dpk s PRO 566 Cb -0.25 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.48 3dpk s PRO 566 CO 0.03 -2.12 -0.07 -0.47 -0.33 0.00 0.00 177.00 174.04 3dpk s TYR 571 N -2.80 1.27 -0.24 6.54 5.04 -1.26 -4.88 117.35 121.02 3dpk s TYR 571 Ca 0.64 -0.56 -0.29 0.00 -2.44 0.00 0.00 57.07 54.41 3dpk s TYR 571 Cb -0.20 -1.08 -0.01 0.00 0.35 0.00 0.00 41.96 41.02 3dpk s TYR 571 CO 0.57 -0.42 1.43 1.21 -1.34 0.00 0.00 175.55 177.00 3dpk s ASN 572 N 1.53 6.59 0.00 4.32 3.84 -1.26 -4.88 114.94 125.09 3dpk s ASN 572 Ca 0.01 1.46 0.16 0.00 0.21 0.00 0.00 52.86 54.70 3dpk s ASN 572 Cb -0.13 -2.54 0.96 0.00 -0.55 0.00 0.00 41.25 38.99 3dpk s ASN 572 CO -0.05 -1.10 1.37 -0.62 -2.79 0.00 0.00 177.10 173.91 3dpk n GLU 573 N 7.35 0.54 0.27 0.43 -0.58 -1.26 -2.32 120.64 125.08 3dpk n GLU 573 Ca 0.16 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 57.03 3dpk n GLU 573 Cb 0.46 -1.46 0.79 0.00 -0.57 0.00 0.00 31.44 30.65 3dpk n GLU 573 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 3dpk h LYS 574 N 0.00 0.00 0.00 3.49 2.10 -2.02 -2.32 116.57 117.82 3dpk h LYS 574 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dpk h LYS 574 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3dpk h LYS 574 CO 0.00 0.07 -0.07 0.91 -2.00 0.00 0.00 179.45 178.36 3dpk n TRP 575 N -3.79 0.10 -1.92 0.07 7.02 -0.98 -4.91 117.44 113.02 3dpk n TRP 575 Ca -0.02 0.03 -0.41 0.00 -1.02 0.00 0.00 57.50 56.07 3dpk n TRP 575 Cb 0.17 -0.51 -0.01 0.00 -2.42 0.00 0.00 31.31 28.53 3dpk n TRP 575 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3dpk s GLU 576 N -3.01 4.21 0.02 -0.99 2.56 -0.88 -1.20 118.70 119.41 3dpk s GLU 576 Ca 0.13 2.42 0.02 0.00 0.00 0.00 0.00 54.97 57.55 3dpk s GLU 576 Cb 0.18 -3.04 -0.01 0.00 2.00 0.00 0.00 34.13 33.26 3dpk s GLU 576 CO 0.56 -0.45 -0.07 0.12 -0.56 0.00 0.00 175.26 174.86 3dpk s PHE 577 N -0.57 0.61 -0.09 5.30 5.36 0.20 -4.82 117.98 123.98 3dpk s PHE 577 Ca 0.56 -0.26 -0.30 0.00 -0.96 0.00 0.00 56.93 55.97 3dpk s PHE 577 Cb -0.44 -0.38 -0.02 0.00 -0.34 0.00 0.00 43.02 41.83 3dpk s PHE 577 CO 0.52 -0.03 1.18 -2.14 -1.46 0.00 0.00 175.22 173.29 3dpk s PRO 578 N -0.72 4.33 0.54 10.12 0.02 -1.26 -4.42 135.00 143.61 3dpk s PRO 578 Ca -0.02 1.62 0.30 0.00 0.02 0.00 0.00 61.00 62.93 3dpk s PRO 578 Cb -0.05 -3.60 1.49 0.00 0.02 0.00 0.00 34.50 32.36 3dpk s PRO 578 CO 0.00 -0.49 2.06 0.07 -0.33 0.00 0.00 177.00 178.31 3dpk h ARG 579 N 7.56 0.00 0.00 5.54 0.11 -1.94 -0.97 114.38 124.67 3dpk h ARG 579 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 3dpk h ARG 579 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 3dpk h ARG 579 CO 0.90 0.10 0.00 0.27 0.10 0.00 0.00 179.97 181.34 3dpk n ASN 580 N -3.44 0.63 -1.50 0.08 6.94 -1.26 -1.73 115.26 114.98 3dpk n ASN 580 Ca -0.01 0.68 0.08 0.00 -0.02 0.00 0.00 54.58 55.31 3dpk n ASN 580 Cb 0.25 -0.81 0.32 0.00 -2.36 0.00 0.00 39.78 37.19 3dpk n ASN 580 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3dpk n ASN 581 N -2.23 4.43 -4.41 0.53 4.13 -0.37 -4.84 115.26 112.51 3dpk n ASN 581 Ca 0.01 -2.49 -0.32 0.00 1.68 0.00 0.00 54.58 53.46 3dpk n ASN 581 Cb 0.18 -0.57 -0.14 0.00 -1.54 0.00 0.00 39.78 37.71 3dpk n ASN 581 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3dpk s LEU 582 N -1.84 2.49 -0.18 3.41 1.43 -0.71 -0.79 118.68 122.48 3dpk s LEU 582 Ca 0.45 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3dpk s LEU 582 Cb 0.30 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 45.06 3dpk s LEU 582 CO 0.19 0.33 -0.17 -1.58 0.23 0.00 0.00 176.35 175.35 3dpk s GLN 583 N -0.62 3.09 0.28 1.70 0.74 -0.34 -4.99 119.66 119.52 3dpk s GLN 583 Ca 0.09 -0.78 -0.29 0.00 0.05 0.00 0.00 55.36 54.43 3dpk s GLN 583 Cb -0.11 -2.65 -0.09 0.00 1.10 0.00 0.00 33.01 31.26 3dpk s GLN 583 CO 0.00 -0.17 1.01 -0.06 -0.55 0.00 0.00 175.29 175.53 3dpk s PHE 584 N 1.24 3.74 0.00 1.67 0.08 -1.26 -1.45 117.98 121.99 3dpk s PHE 584 Ca 0.03 1.80 0.00 0.00 0.12 0.00 0.00 56.93 58.88 3dpk s PHE 584 Cb -0.14 -3.11 0.00 0.00 -0.57 0.00 0.00 43.02 39.21 3dpk s PHE 584 CO -0.09 -0.05 0.00 0.41 -0.10 0.00 0.00 175.22 175.39 3dpk n GLY 585 N 1.18 3.53 3.84 4.36 0.00 0.64 -4.95 105.19 113.80 3dpk n GLY 585 Ca -0.01 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 3dpk n GLY 585 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dpk s LYS 586 N 4.77 3.63 -0.05 1.61 -2.85 -1.26 -4.64 119.74 120.95 3dpk s LYS 586 Ca 0.00 0.92 -0.26 0.00 -1.00 0.00 0.00 55.97 55.63 3dpk s LYS 586 Cb 0.00 -2.09 -0.03 0.00 -2.06 0.00 0.00 37.83 33.65 3dpk s LYS 586 CO 0.00 -0.54 0.81 0.99 0.10 0.00 0.00 175.35 176.71 3dpk s THR 587 N -2.84 4.97 -0.07 3.79 2.01 -1.26 -0.82 115.64 121.42 3dpk s THR 587 Ca 0.58 1.68 0.12 0.00 0.31 0.00 0.00 61.69 64.38 3dpk s THR 587 Cb -0.12 -4.15 -0.23 0.00 0.01 0.00 0.00 72.50 68.01 3dpk s THR 587 CO 0.43 0.20 0.57 0.18 -0.69 0.00 0.00 174.62 175.30 3dpk n LEU 588 N 3.97 0.92 0.00 4.42 4.77 -0.22 -4.93 117.00 125.93 3dpk n LEU 588 Ca 0.02 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3dpk n LEU 588 Cb 0.51 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3dpk n LEU 588 CO 0.49 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 3dpk n GLY 589 N 1.61 0.92 3.35 -0.72 0.00 -1.19 -5.02 105.19 104.13 3dpk n GLY 589 Ca -0.20 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 3dpk n GLY 589 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpk s ALA 590 N -2.00 -1.14 0.00 4.61 0.00 -1.11 -1.28 121.76 120.84 3dpk s ALA 590 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3dpk s ALA 590 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3dpk s ALA 590 CO 0.00 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3dpk n GLY 591 N 1.66 2.31 0.24 0.00 0.00 0.67 -2.51 105.19 107.57 3dpk n GLY 591 Ca -0.18 -2.04 -0.07 0.00 0.00 0.00 0.00 46.02 43.73 3dpk n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpk h ALA 592 N -0.86 0.91 0.00 4.61 0.00 -1.79 -3.35 119.26 118.78 3dpk h ALA 592 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3dpk h ALA 592 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3dpk h ALA 592 CO 0.00 0.62 0.00 1.19 0.00 0.00 0.00 179.25 181.06 3dpk n PHE 593 N -4.07 0.00 -4.16 0.00 3.01 -1.26 -4.86 117.46 106.12 3dpk n PHE 593 Ca -0.01 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.35 3dpk n PHE 593 Cb 0.47 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.84 3dpk n PHE 593 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3dpk s GLY 594 N -0.51 0.77 0.03 1.37 0.00 -1.09 -1.01 107.32 106.89 3dpk s GLY 594 Ca 0.00 -1.36 -0.12 0.00 0.00 0.00 0.00 44.72 43.25 3dpk s GLY 594 CO 0.00 -1.44 0.25 -1.59 0.00 0.00 0.00 173.10 170.32 3dpk s LYS 595 N -3.86 0.72 -0.05 2.90 -2.85 -0.62 -0.23 119.74 115.74 3dpk s LYS 595 Ca 0.13 -0.50 0.06 0.00 -1.00 0.00 0.00 55.97 54.65 3dpk s LYS 595 Cb 0.06 0.31 -0.01 0.00 -2.06 0.00 0.00 37.83 36.13 3dpk s LYS 595 CO -0.05 -0.21 -0.22 0.08 0.10 0.00 0.00 175.35 175.05 3dpk s VAL 596 N -2.29 1.84 0.11 1.79 1.01 -0.41 -1.19 120.40 121.27 3dpk s VAL 596 Ca -0.07 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.04 3dpk s VAL 596 Cb -0.02 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3dpk s VAL 596 CO -0.02 0.52 -0.22 0.68 0.00 0.00 0.00 175.10 176.05 3dpk s VAL 597 N -0.16 1.84 0.40 2.92 -7.23 -0.17 -1.05 120.40 116.95 3dpk s VAL 597 Ca -0.02 -1.60 -0.23 0.00 -1.81 0.00 0.00 61.98 58.32 3dpk s VAL 597 Cb -0.12 -1.66 -0.10 0.00 0.56 0.00 0.00 36.38 35.05 3dpk s VAL 597 CO 0.03 -0.03 0.97 -0.70 -0.31 0.00 0.00 175.10 175.06 3dpk s GLU 598 N -1.96 4.27 0.14 4.82 2.12 -0.00 -0.66 118.70 127.43 3dpk s GLU 598 Ca 0.08 1.27 -0.10 0.00 0.36 0.00 0.00 54.97 56.58 3dpk s GLU 598 Cb -0.10 -2.40 0.00 0.00 0.26 0.00 0.00 34.13 31.89 3dpk s GLU 598 CO 0.05 -0.00 0.28 0.00 -0.54 0.00 0.00 175.26 175.04 3dpk s ALA 599 N -1.91 -0.23 -0.19 6.30 0.00 0.14 -0.26 121.76 125.61 3dpk s ALA 599 Ca 0.59 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.79 3dpk s ALA 599 Cb -0.15 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 3dpk s ALA 599 CO 0.19 -0.61 0.10 0.99 0.00 0.00 0.00 175.76 176.43 3dpk s THR 600 N -3.91 5.09 -0.17 0.00 2.01 -0.53 0.01 115.64 118.14 3dpk s THR 600 Ca 0.11 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 3dpk s THR 600 Cb 0.03 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 3dpk s THR 600 CO -0.05 0.44 -0.03 0.00 -0.69 0.00 0.00 174.62 174.29 3dpk s ALA 601 N 0.42 2.97 -0.27 7.40 0.00 0.31 -1.19 121.76 131.40 3dpk s ALA 601 Ca 0.06 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 3dpk s ALA 601 Cb -0.12 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 3dpk s ALA 601 CO -0.01 0.08 0.16 -0.06 0.00 0.00 0.00 175.76 175.94 3dpk s PHE 602 N 0.60 3.20 -0.12 0.00 0.40 0.03 -1.79 117.98 120.29 3dpk s PHE 602 Ca -0.03 0.01 -0.00 0.00 -0.60 0.00 0.00 56.93 56.32 3dpk s PHE 602 Cb -0.14 -2.34 -0.00 0.00 0.51 0.00 0.00 43.02 41.05 3dpk s PHE 602 CO 0.02 -0.18 0.10 0.41 0.70 0.00 0.00 175.22 176.28 3dpk n GLY 603 N 4.96 0.47 3.47 4.36 0.00 -0.54 -4.87 105.19 113.04 3dpk n GLY 603 Ca -0.15 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 3dpk n GLY 603 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dpk s LEU 604 N -2.74 3.43 0.00 0.99 0.20 -1.26 -4.80 118.68 114.50 3dpk s LEU 604 Ca 0.02 -0.18 0.00 0.00 0.69 0.00 0.00 54.13 54.66 3dpk s LEU 604 Cb -0.00 -1.90 0.00 0.00 -0.43 0.00 0.00 46.19 43.86 3dpk s LEU 604 CO 0.08 0.01 0.00 0.61 -0.29 0.00 0.00 176.35 176.76 3dpk n GLY 605 N 4.59 2.69 0.00 7.98 0.00 -1.26 -4.90 105.19 114.29 3dpk n GLY 605 Ca -0.16 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3dpk n GLY 605 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpk n ALA 609 N 0.00 0.00 -3.00 4.61 0.00 -1.26 -5.26 120.51 115.60 3dpk n ALA 609 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3dpk n ALA 609 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3dpk n ALA 609 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dpk s VAL 610 N 0.00 4.39 -0.05 0.00 1.01 -1.26 -1.46 120.40 123.03 3dpk s VAL 610 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 3dpk s VAL 610 Cb 0.00 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.36 3dpk s VAL 610 CO 0.00 0.36 0.13 -0.22 0.00 0.00 0.00 175.10 175.36 3dpk s LEU 611 N 1.42 1.24 0.13 3.92 2.96 -0.74 -4.98 118.68 122.63 3dpk s LEU 611 Ca 0.05 0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.92 3dpk s LEU 611 Cb -0.15 0.37 -0.07 0.00 0.50 0.00 0.00 46.19 46.85 3dpk s LEU 611 CO 0.04 -0.08 1.20 -0.54 -1.32 0.00 0.00 176.35 175.65 3dpk s LYS 612 N 0.49 4.46 0.21 1.98 1.02 -1.26 -0.53 119.74 126.11 3dpk s LYS 612 Ca -0.04 1.84 -0.00 0.00 0.02 0.00 0.00 55.97 57.79 3dpk s LYS 612 Cb -0.05 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 3dpk s LYS 612 CO -0.02 -0.16 0.11 0.14 -0.92 0.00 0.00 175.35 174.50 3dpk s VAL 613 N 0.43 0.15 -0.08 3.17 -7.23 0.10 -4.23 120.40 112.71 3dpk s VAL 613 Ca 0.56 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 3dpk s VAL 613 Cb -0.32 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 3dpk s VAL 613 CO 0.33 -0.06 -0.08 0.00 -0.31 0.00 0.00 175.10 174.99 3dpk s ALA 614 N -4.04 2.92 -0.13 1.32 0.00 -0.12 -0.68 121.76 121.04 3dpk s ALA 614 Ca 0.37 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.46 3dpk s ALA 614 Cb 0.07 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 21.96 3dpk s ALA 614 CO 0.11 0.49 -0.17 0.08 0.00 0.00 0.00 175.76 176.27 3dpk s VAL 615 N -0.52 1.66 -0.12 0.00 1.01 0.17 -0.56 120.40 122.03 3dpk s VAL 615 Ca 0.08 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 3dpk s VAL 615 Cb -0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3dpk s VAL 615 CO 0.02 0.47 0.10 -0.75 0.00 0.00 0.00 175.10 174.95 3dpk s LYS 616 N 1.07 3.40 0.16 2.72 2.20 0.74 -1.00 119.74 129.03 3dpk s LYS 616 Ca -0.04 -0.21 -0.12 0.00 -0.36 0.00 0.00 55.97 55.24 3dpk s LYS 616 Cb -0.14 -3.11 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 3dpk s LYS 616 CO -0.04 0.71 0.36 0.00 -0.36 0.00 0.00 175.35 176.03 3dpk s MET 617 N -0.86 1.19 0.54 4.03 0.23 -0.33 -0.76 119.30 123.34 3dpk s MET 617 Ca 0.14 -1.00 -0.16 0.00 -1.03 0.00 0.00 55.69 53.64 3dpk s MET 617 Cb -0.12 0.43 -0.07 0.00 -1.53 0.00 0.00 34.83 33.55 3dpk s MET 617 CO 0.03 -0.46 1.01 -0.51 -2.03 0.00 0.00 175.02 173.06 3dpk s LEU 618 N -2.91 3.55 0.65 0.18 1.43 -1.26 -1.59 118.68 118.73 3dpk s LEU 618 Ca 0.12 1.60 -0.03 0.00 -1.03 0.00 0.00 54.13 54.79 3dpk s LEU 618 Cb 0.02 -4.51 0.06 0.00 0.03 0.00 0.00 46.19 41.79 3dpk s LEU 618 CO -0.03 -0.74 0.92 -0.54 0.23 0.00 0.00 176.35 176.19 3dpk s LYS 619 N -4.20 2.21 0.31 1.70 1.02 -0.18 -4.78 119.74 115.82 3dpk s LYS 619 Ca 0.59 -0.61 0.06 0.00 0.02 0.00 0.00 55.97 56.03 3dpk s LYS 619 Cb -0.11 -2.32 0.53 0.00 -0.52 0.00 0.00 37.83 35.41 3dpk s LYS 619 CO 0.35 -1.09 1.77 0.77 -0.92 0.00 0.00 175.35 176.23 3dpk h SER 620 N -0.34 0.35 0.08 2.83 0.02 -1.95 -2.54 113.55 111.99 3dpk h SER 620 Ca -0.42 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 3dpk h SER 620 Cb 1.30 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3dpk h SER 620 CO 0.53 0.60 0.00 0.41 -1.14 0.00 0.00 176.83 177.24 3dpk n THR 621 N -4.14 1.38 -3.22 -2.27 -1.04 -1.26 -4.82 114.28 98.92 3dpk n THR 621 Ca -0.01 0.35 -0.38 0.00 -2.04 0.00 0.00 64.05 61.96 3dpk n THR 621 Cb 0.38 -1.29 -0.06 0.00 -1.82 0.00 0.00 70.33 67.54 3dpk n THR 621 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dpk s ALA 622 N -2.77 3.56 0.18 2.41 0.00 -0.96 -5.02 121.76 119.15 3dpk s ALA 622 Ca 0.02 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.08 3dpk s ALA 622 Cb 0.02 -2.69 0.01 0.00 0.00 0.00 0.00 23.12 20.46 3dpk s ALA 622 CO 0.05 0.38 0.11 0.72 0.00 0.00 0.00 175.76 177.02 3dpk n HIS 623 N 1.60 -0.88 -0.08 0.00 8.25 -1.26 -4.96 115.22 117.89 3dpk n HIS 623 Ca -0.09 -0.77 0.16 0.00 -0.26 0.00 0.00 57.72 56.75 3dpk n HIS 623 Cb 0.50 -0.14 0.57 0.00 1.12 0.00 0.00 29.99 32.04 3dpk n HIS 623 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dpk h ALA 624 N 0.80 2.21 -0.86 -1.41 0.00 -1.99 0.11 119.26 118.12 3dpk h ALA 624 Ca -0.12 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3dpk h ALA 624 Cb 0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3dpk h ALA 624 CO 0.19 -0.37 0.57 -0.44 0.00 0.00 0.00 179.25 179.19 3dpk h ASP 625 N 0.27 0.92 0.88 0.00 3.45 -2.00 -2.09 116.42 117.86 3dpk h ASP 625 Ca 0.30 -0.01 -0.23 0.00 0.43 0.00 0.00 57.03 57.52 3dpk h ASP 625 Cb 0.80 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.32 3dpk h ASP 625 CO -0.07 0.63 -1.16 -0.33 -1.57 0.00 0.00 179.24 176.75 3dpk h GLU 626 N 1.07 0.00 -0.13 3.56 4.39 -1.19 -2.57 114.58 119.71 3dpk h GLU 626 Ca 0.34 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.94 3dpk h GLU 626 Cb 0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3dpk h GLU 626 CO -0.10 0.89 -0.37 0.87 -1.16 0.00 0.00 179.01 179.13 3dpk h LYS 627 N 0.00 0.28 -0.18 2.33 1.57 -1.24 -1.69 116.57 117.64 3dpk h LYS 627 Ca -0.07 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.45 3dpk h LYS 627 Cb 1.83 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.13 3dpk h LYS 627 CO 0.12 0.62 -0.40 1.49 -0.57 0.00 0.00 179.45 180.71 3dpk h GLU 628 N 0.24 0.59 -0.50 3.15 4.81 -1.32 -1.80 114.58 119.75 3dpk h GLU 628 Ca 0.03 -0.39 0.02 0.00 -0.13 0.00 0.00 59.36 58.89 3dpk h GLU 628 Cb 0.78 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 3dpk h GLU 628 CO 0.06 1.01 0.33 0.00 -0.73 0.00 0.00 179.01 179.68 3dpk h ALA 629 N 0.58 1.73 -0.17 2.92 0.00 -1.26 0.93 119.26 123.99 3dpk h ALA 629 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3dpk h ALA 629 Cb 1.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3dpk h ALA 629 CO 0.09 0.23 -0.23 1.25 0.00 0.00 0.00 179.25 180.58 3dpk h LEU 630 N 0.60 0.51 -1.52 0.00 5.85 -1.16 -1.32 115.31 118.26 3dpk h LEU 630 Ca 0.20 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 3dpk h LEU 630 Cb 0.05 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3dpk h LEU 630 CO -0.05 0.92 0.20 0.24 -0.34 0.00 0.00 178.44 179.41 3dpk h MET 631 N 0.11 0.52 -0.10 1.25 2.86 -0.94 -1.71 114.93 116.92 3dpk h MET 631 Ca 0.02 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.46 3dpk h MET 631 Cb 0.80 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 3dpk h MET 631 CO 0.05 0.39 -0.60 1.03 1.06 0.00 0.00 176.91 178.85 3dpk h SER 632 N 0.53 0.37 -0.26 1.22 0.87 -0.73 -0.52 113.55 115.03 3dpk h SER 632 Ca 0.14 -0.21 -0.13 0.00 -1.23 0.00 0.00 61.79 60.35 3dpk h SER 632 Cb 0.03 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3dpk h SER 632 CO -0.02 0.88 -0.31 -0.08 -0.53 0.00 0.00 176.83 176.77 3dpk h GLU 633 N 0.24 0.78 -0.64 2.24 4.81 -0.76 -2.35 114.58 118.91 3dpk h GLU 633 Ca -0.01 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 58.81 3dpk h GLU 633 Cb 1.12 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 3dpk h GLU 633 CO 0.10 0.99 0.17 1.25 -0.73 0.00 0.00 179.01 180.78 3dpk h LEU 634 N 0.66 0.92 -0.38 1.64 6.46 -0.98 -1.80 115.31 121.84 3dpk h LEU 634 Ca 0.07 -0.17 -0.14 0.00 -0.12 0.00 0.00 57.88 57.52 3dpk h LEU 634 Cb 0.85 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 3dpk h LEU 634 CO 0.07 0.89 -0.30 0.11 -0.62 0.00 0.00 178.44 178.59 3dpk h LYS 635 N 0.95 0.88 0.40 1.25 1.57 -1.04 -0.26 116.57 120.31 3dpk h LYS 635 Ca 0.20 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3dpk h LYS 635 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3dpk h LYS 635 CO -0.00 1.08 -0.19 0.82 -0.57 0.00 0.00 179.45 180.59 3dpk h ILE 636 N 0.68 0.61 -0.96 1.86 2.04 -1.25 -2.54 117.51 117.96 3dpk h ILE 636 Ca 0.07 -0.10 0.12 0.00 1.00 0.00 0.00 64.86 65.95 3dpk h ILE 636 Cb 0.88 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 37.54 3dpk h ILE 636 CO 0.08 0.02 0.59 0.24 0.00 0.00 0.00 178.15 179.08 3dpk h MET 637 N -0.59 0.90 -0.06 2.37 2.86 -1.25 -1.07 114.93 118.08 3dpk h MET 637 Ca -0.05 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 3dpk h MET 637 Cb 0.44 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3dpk h MET 637 CO 0.09 0.60 -0.24 0.66 1.06 0.00 0.00 176.91 179.08 3dpk h SER 638 N 0.93 0.10 0.71 1.22 4.64 -0.90 -3.13 113.55 117.12 3dpk h SER 638 Ca 0.48 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.55 3dpk h SER 638 Cb 0.47 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.50 3dpk h SER 638 CO -0.27 0.34 -1.42 -0.74 -0.87 0.00 0.00 176.83 173.87 3dpk h HIS 639 N 0.10 0.00 -0.35 4.77 6.17 -0.85 -3.36 115.15 121.63 3dpk h HIS 639 Ca 0.02 0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.02 3dpk h HIS 639 Cb 0.48 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.39 3dpk h HIS 639 CO 0.00 0.80 -0.09 -0.07 0.71 0.00 0.00 177.93 179.28 3dpk h LEU 640 N 0.00 0.57 0.00 0.26 3.38 -1.18 -3.49 115.31 114.85 3dpk h LEU 640 Ca -0.19 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3dpk h LEU 640 Cb 1.77 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.37 3dpk h LEU 640 CO 0.07 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.92 3dpk n GLY 641 N -0.62 -3.01 3.95 0.83 0.00 -1.25 -5.01 105.19 100.08 3dpk n GLY 641 Ca 0.01 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 3dpk n GLY 641 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dpk s GLN 642 N -0.92 3.44 -0.19 1.61 -0.21 -1.26 -4.96 119.66 117.16 3dpk s GLN 642 Ca 0.00 -0.63 -0.27 0.00 0.02 0.00 0.00 55.36 54.48 3dpk s GLN 642 Cb 0.00 -2.94 0.07 0.00 1.00 0.00 0.00 33.01 31.14 3dpk s GLN 642 CO 0.00 0.49 0.71 -1.58 -2.12 0.00 0.00 175.29 172.80 3dpk s HIS 643 N -1.81 -0.74 0.58 0.91 2.46 -1.26 -5.05 115.29 110.39 3dpk s HIS 643 Ca 0.35 1.63 0.28 0.00 0.47 0.00 0.00 55.06 57.79 3dpk s HIS 643 Cb -0.11 0.32 1.74 0.00 -0.13 0.00 0.00 32.58 34.41 3dpk s HIS 643 CO 0.29 -0.46 2.21 1.05 -2.47 0.00 0.00 174.74 175.36 3dpk h GLU 644 N 4.27 0.00 -0.38 2.88 4.11 -1.98 -2.79 114.58 120.69 3dpk h GLU 644 Ca -0.28 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.06 3dpk h GLU 644 Cb 1.15 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 3dpk h GLU 644 CO 0.17 0.00 0.04 0.09 0.07 0.00 0.00 179.01 179.38 3dpk n ASN 645 N -3.90 3.78 -4.42 3.06 4.13 -1.26 -4.85 115.26 111.80 3dpk n ASN 645 Ca -0.02 -3.23 -0.28 0.00 1.68 0.00 0.00 54.58 52.73 3dpk n ASN 645 Cb 0.14 -0.61 -0.12 0.00 -1.54 0.00 0.00 39.78 37.65 3dpk n ASN 645 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3dpk s ILE 646 N -2.96 2.38 -0.44 2.41 -1.09 -1.06 -1.58 121.20 118.86 3dpk s ILE 646 Ca 0.46 -1.84 -0.29 0.00 -2.23 0.00 0.00 60.65 56.74 3dpk s ILE 646 Cb 0.38 -2.10 0.02 0.00 -1.58 0.00 0.00 42.46 39.18 3dpk s ILE 646 CO 0.08 0.00 1.30 -0.69 -1.23 0.00 0.00 174.94 174.40 3dpk s VAL 647 N -1.33 4.03 0.27 2.92 1.01 0.55 -4.78 120.40 123.07 3dpk s VAL 647 Ca 0.17 1.04 -0.17 0.00 0.00 0.00 0.00 61.98 63.03 3dpk s VAL 647 Cb -0.09 -4.38 -0.09 0.00 0.00 0.00 0.00 36.38 31.83 3dpk s VAL 647 CO 0.08 -0.87 0.72 0.20 0.00 0.00 0.00 175.10 175.23 3dpk s ASN 648 N 3.33 6.89 0.20 3.32 0.01 -1.26 -4.81 114.94 122.61 3dpk s ASN 648 Ca 0.56 1.33 -0.30 0.00 -0.71 0.00 0.00 52.86 53.73 3dpk s ASN 648 Cb -0.11 -2.39 -0.09 0.00 0.41 0.00 0.00 41.25 39.08 3dpk s ASN 648 CO 0.32 -0.09 1.33 -0.22 -1.51 0.00 0.00 177.10 176.93 3dpk s LEU 649 N -2.52 4.41 -0.03 0.60 2.96 -1.26 -1.80 118.68 121.04 3dpk s LEU 649 Ca 0.49 2.42 0.04 0.00 -0.22 0.00 0.00 54.13 56.86 3dpk s LEU 649 Cb -0.13 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 42.89 3dpk s LEU 649 CO 0.19 -0.55 0.05 0.18 -1.32 0.00 0.00 176.35 174.90 3dpk n LEU 650 N 2.71 0.00 0.00 -0.68 4.77 0.40 -4.93 117.00 119.27 3dpk n LEU 650 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3dpk n LEU 650 Cb 0.42 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3dpk n LEU 650 CO 0.58 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3dpk n GLY 651 N 2.51 -0.15 3.32 -0.72 0.00 -1.01 -4.86 105.19 104.28 3dpk n GLY 651 Ca -0.04 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 3dpk n GLY 651 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpk s ALA 652 N -2.00 -0.99 -0.29 4.61 0.00 -0.34 -0.83 121.76 121.92 3dpk s ALA 652 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.28 3dpk s ALA 652 Cb 0.00 0.33 0.08 0.00 0.00 0.00 0.00 23.12 23.54 3dpk s ALA 652 CO 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 175.76 175.32 3dpk n THR 654 N 4.53 0.00 -4.31 0.00 -2.24 -1.26 -1.08 114.28 109.92 3dpk n THR 654 Ca -0.05 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 61.08 3dpk n THR 654 Cb 0.43 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 3dpk n THR 654 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3dpk s HIS 655 N -0.83 1.57 -0.59 4.78 3.76 -1.26 -4.79 115.29 117.92 3dpk s HIS 655 Ca 0.09 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 3dpk s HIS 655 Cb 0.07 -0.76 0.00 0.00 1.11 0.00 0.00 32.58 33.00 3dpk s HIS 655 CO 0.13 0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.69 3dpk n GLY 656 N -0.12 0.79 0.00 -2.22 0.00 -1.26 -4.89 105.19 97.49 3dpk n GLY 656 Ca -0.10 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3dpk n GLY 656 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dpk n GLY 657 N -1.85 -1.77 3.69 -0.02 0.00 -1.26 -5.06 105.19 98.92 3dpk n GLY 657 Ca -0.06 -1.28 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 3dpk n GLY 657 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dpk n PRO 658 N -0.30 0.93 -1.93 1.61 -0.02 -1.26 -4.85 135.00 129.18 3dpk n PRO 658 Ca 0.00 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 3dpk n PRO 658 Cb 0.00 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.03 3dpk n PRO 658 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dpk s VAL 659 N -1.51 2.92 -0.09 -1.45 1.01 -1.26 -4.75 120.40 115.27 3dpk s VAL 659 Ca 0.80 0.47 0.04 0.00 0.00 0.00 0.00 61.98 63.29 3dpk s VAL 659 Cb -0.38 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 3dpk s VAL 659 CO 0.43 0.01 -0.21 -0.76 0.00 0.00 0.00 175.10 174.57 3dpk s LEU 660 N 2.20 2.30 -0.15 3.92 1.43 -0.24 -4.29 118.68 123.85 3dpk s LEU 660 Ca 0.73 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 53.37 3dpk s LEU 660 Cb -0.41 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 3dpk s LEU 660 CO 0.32 0.20 -0.13 -0.69 0.23 0.00 0.00 176.35 176.28 3dpk s VAL 661 N 0.11 2.91 -0.22 -1.59 1.01 0.06 -0.65 120.40 122.03 3dpk s VAL 661 Ca -0.10 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3dpk s VAL 661 Cb -0.16 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 3dpk s VAL 661 CO 0.06 0.51 0.01 -0.63 0.00 0.00 0.00 175.10 175.05 3dpk s ILE 662 N 0.67 3.91 0.29 2.22 1.01 -0.01 -0.18 121.20 129.11 3dpk s ILE 662 Ca -0.07 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.29 3dpk s ILE 662 Cb -0.15 -2.79 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 3dpk s ILE 662 CO 0.02 0.41 0.08 0.42 0.00 0.00 0.00 174.94 175.87 3dpk s THR 663 N 1.24 0.86 0.35 2.92 -4.23 0.27 -0.45 115.64 116.60 3dpk s THR 663 Ca 0.04 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.26 3dpk s THR 663 Cb -0.15 -2.71 -0.11 0.00 1.34 0.00 0.00 72.50 70.88 3dpk s THR 663 CO 0.01 0.00 1.49 -1.61 -0.54 0.00 0.00 174.62 173.98 3dpk s GLU 664 N -3.96 4.13 -0.12 3.99 2.02 -0.74 -0.94 118.70 123.08 3dpk s GLU 664 Ca 0.37 2.54 -0.19 0.00 0.02 0.00 0.00 54.97 57.71 3dpk s GLU 664 Cb 0.08 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 3dpk s GLU 664 CO 0.15 -0.53 0.53 -0.47 0.02 0.00 0.00 175.26 174.96 3dpk s TYR 665 N -0.88 3.50 -0.44 1.61 5.04 -1.26 -4.36 117.35 120.56 3dpk s TYR 665 Ca 0.55 0.94 -0.12 0.00 -2.44 0.00 0.00 57.07 56.00 3dpk s TYR 665 Cb -0.46 -2.62 0.08 0.00 0.35 0.00 0.00 41.96 39.31 3dpk s TYR 665 CO 0.59 0.11 0.32 0.00 -1.34 0.00 0.00 175.55 175.23 3dpk n TYR 668 N -2.76 0.00 -4.12 0.00 0.53 -0.18 -5.04 117.16 105.59 3dpk n TYR 668 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.89 3dpk n TYR 668 Cb 0.25 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.55 3dpk n TYR 668 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3dpk n GLY 669 N 1.29 -0.54 3.89 2.72 0.00 -1.13 -4.79 105.19 106.64 3dpk n GLY 669 Ca 0.15 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 3dpk n GLY 669 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3dpk s ASP 670 N -4.00 6.48 0.19 1.61 -4.77 -1.26 -0.83 116.67 114.09 3dpk s ASP 670 Ca 0.00 0.91 -0.08 0.00 -3.30 0.00 0.00 52.55 50.09 3dpk s ASP 670 Cb 0.00 -2.23 0.10 0.00 -1.09 0.00 0.00 42.92 39.70 3dpk s ASP 670 CO 0.00 -0.30 1.64 0.25 0.70 0.00 0.00 175.17 177.46 3dpk h LEU 671 N 1.44 0.99 0.00 2.11 5.85 -0.83 -2.47 115.31 122.41 3dpk h LEU 671 Ca -0.47 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 57.97 3dpk h LEU 671 Cb 1.19 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 3dpk h LEU 671 CO 0.65 1.08 -0.17 0.25 -0.34 0.00 0.00 178.44 179.91 3dpk h LEU 672 N 0.91 -0.49 -1.16 2.25 5.85 -1.77 0.80 115.31 121.70 3dpk h LEU 672 Ca 0.15 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3dpk h LEU 672 Cb 0.60 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3dpk h LEU 672 CO 0.04 -0.23 0.29 0.78 -0.34 0.00 0.00 178.44 178.98 3dpk h ASN 673 N -0.28 0.80 -0.60 1.25 2.35 -1.88 -1.68 115.58 115.53 3dpk h ASN 673 Ca 0.05 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3dpk h ASN 673 Cb 0.34 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 3dpk h ASN 673 CO -0.16 0.68 0.20 0.15 -1.65 0.00 0.00 177.43 176.65 3dpk h PHE 674 N 0.88 0.96 -0.53 1.19 3.57 -1.07 -2.00 116.94 119.94 3dpk h PHE 674 Ca 0.22 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 3dpk h PHE 674 Cb 0.10 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 3dpk h PHE 674 CO 0.01 0.78 0.04 -0.07 -2.23 0.00 0.00 178.31 176.85 3dpk h LEU 675 N 0.85 0.82 -0.41 0.59 3.38 -0.58 -3.06 115.31 116.90 3dpk h LEU 675 Ca 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3dpk h LEU 675 Cb 0.27 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3dpk h LEU 675 CO -0.01 0.86 -0.08 0.03 0.09 0.00 0.00 178.44 179.33 3dpk h ARG 676 N 0.81 0.00 0.00 1.13 3.08 -1.03 -3.43 114.38 114.94 3dpk h ARG 676 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3dpk h ARG 676 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3dpk h ARG 676 CO 0.01 0.08 0.00 2.89 -1.07 0.00 0.00 179.97 181.88 3dpk n ARG 677 N -3.14 0.00 -4.07 0.04 1.85 -0.78 -5.09 116.66 105.48 3dpk n ARG 677 Ca 0.03 0.01 -0.22 0.00 -1.00 0.00 0.00 57.85 56.66 3dpk n ARG 677 Cb 0.50 -0.52 -0.04 0.00 -1.05 0.00 0.00 32.46 31.35 3dpk n ARG 677 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3dpk s GLN 696 N -0.04 3.08 0.00 2.89 -1.52 -1.26 -5.07 119.66 117.74 3dpk s GLN 696 Ca 0.00 -0.94 -0.22 0.00 -1.95 0.00 0.00 55.36 52.25 3dpk s GLN 696 Cb 0.00 -2.67 -0.05 0.00 -0.22 0.00 0.00 33.01 30.06 3dpk s GLN 696 CO 0.00 0.42 0.64 -0.51 -0.25 0.00 0.00 175.29 175.59 3dpk s LEU 697 N -3.77 4.41 0.28 2.90 1.43 -1.26 -5.07 118.68 117.60 3dpk s LEU 697 Ca 0.33 1.22 0.09 0.00 -1.03 0.00 0.00 54.13 54.74 3dpk s LEU 697 Cb -0.09 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 3dpk s LEU 697 CO 0.26 0.07 0.07 -0.94 0.23 0.00 0.00 176.35 176.04 3dpk s SER 698 N -0.08 4.77 0.31 2.29 1.04 -1.26 -5.02 113.70 115.75 3dpk s SER 698 Ca 0.33 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 3dpk s SER 698 Cb -0.19 -0.92 0.48 0.00 0.10 0.00 0.00 66.02 65.50 3dpk s SER 698 CO 0.18 -0.09 1.95 0.77 0.98 0.00 0.00 173.24 177.04 3dpk h SER 699 N 1.72 0.86 -0.38 7.02 4.64 -1.97 -1.91 113.55 123.52 3dpk h SER 699 Ca -0.45 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 60.75 3dpk h SER 699 Cb 1.25 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 3dpk h SER 699 CO 0.61 0.67 0.01 -0.09 -0.87 0.00 0.00 176.83 177.15 3dpk h ARG 753 N 0.99 0.76 -0.68 4.77 2.43 -1.99 -1.64 114.38 119.02 3dpk h ARG 753 Ca 0.26 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3dpk h ARG 753 Cb -0.03 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 3dpk h ARG 753 CO -0.05 0.76 0.41 -0.44 -1.51 0.00 0.00 179.97 179.15 3dpk h ASP 754 N 0.71 0.81 -0.58 -3.80 3.45 -1.76 -0.74 116.42 114.51 3dpk h ASP 754 Ca 0.14 -0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.49 3dpk h ASP 754 Cb 0.43 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 3dpk h ASP 754 CO 0.02 0.63 0.15 -0.07 -1.57 0.00 0.00 179.24 178.39 3dpk h LEU 755 N 0.92 0.87 -0.98 1.55 3.38 -1.13 -1.07 115.31 118.85 3dpk h LEU 755 Ca 0.24 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3dpk h LEU 755 Cb -0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3dpk h LEU 755 CO -0.05 0.87 0.18 -0.07 0.09 0.00 0.00 178.44 179.46 3dpk h LEU 756 N 0.82 0.86 -0.43 1.67 3.38 -1.13 -2.29 115.31 118.18 3dpk h LEU 756 Ca 0.18 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3dpk h LEU 756 Cb 0.33 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3dpk h LEU 756 CO 0.00 0.81 0.15 0.45 0.09 0.00 0.00 178.44 179.94 3dpk h HIS 757 N 0.89 0.68 -0.74 1.13 3.86 -0.60 -0.79 115.15 119.59 3dpk h HIS 757 Ca 0.20 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3dpk h HIS 757 Cb 0.27 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 3dpk h HIS 757 CO 0.02 0.61 0.49 0.74 0.86 0.00 0.00 177.93 180.64 3dpk h PHE 758 N 0.56 0.92 -0.47 2.45 0.05 -1.06 0.16 116.94 119.56 3dpk h PHE 758 Ca 0.14 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.95 3dpk h PHE 758 Cb 0.23 -0.31 -0.02 0.00 2.00 0.00 0.00 35.95 37.85 3dpk h PHE 758 CO 0.01 0.58 0.26 0.77 -0.18 0.00 0.00 178.31 179.74 3dpk h SER 759 N 0.99 0.59 -0.38 2.17 0.02 -1.21 -1.37 113.55 114.36 3dpk h SER 759 Ca 0.27 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 3dpk h SER 759 Cb -0.10 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 3dpk h SER 759 CO -0.07 0.51 -0.16 0.28 -1.14 0.00 0.00 176.83 176.25 3dpk h SER 760 N 0.62 0.80 -0.25 3.07 0.02 -0.58 -1.92 113.55 115.31 3dpk h SER 760 Ca 0.17 -0.40 0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3dpk h SER 760 Cb 0.05 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3dpk h SER 760 CO -0.03 1.02 0.10 1.56 -1.14 0.00 0.00 176.83 178.34 3dpk h GLN 761 N 0.58 0.22 -0.60 3.45 4.20 -0.47 -1.23 115.11 121.26 3dpk h GLN 761 Ca 0.09 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 3dpk h GLN 761 Cb 0.70 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 3dpk h GLN 761 CO 0.05 0.14 0.22 0.28 -0.67 0.00 0.00 178.83 178.85 3dpk h VAL 762 N 0.22 1.23 -0.54 -0.54 2.07 -1.27 -1.79 116.25 115.64 3dpk h VAL 762 Ca 0.11 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.91 3dpk h VAL 762 Cb 0.06 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3dpk h VAL 762 CO -0.10 0.29 0.36 0.00 0.02 0.00 0.00 177.57 178.14 3dpk h ALA 763 N 1.07 1.75 -0.27 1.67 0.00 -1.02 -0.27 119.26 122.20 3dpk h ALA 763 Ca 0.20 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3dpk h ALA 763 Cb 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3dpk h ALA 763 CO -0.01 0.19 -0.47 1.96 0.00 0.00 0.00 179.25 180.92 3dpk h GLN 764 N 0.61 0.79 -0.60 0.00 4.20 -0.71 0.62 115.11 120.01 3dpk h GLN 764 Ca 0.22 -0.49 -0.09 0.00 0.06 0.00 0.00 58.65 58.34 3dpk h GLN 764 Cb 0.11 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3dpk h GLN 764 CO -0.06 1.12 0.01 0.78 -0.67 0.00 0.00 178.83 180.02 3dpk h GLY 765 N 0.54 1.12 1.41 3.46 0.00 -0.84 -1.53 103.07 107.23 3dpk h GLY 765 Ca 0.02 -0.80 -0.16 0.00 0.00 0.00 0.00 47.33 46.39 3dpk h GLY 765 CO 0.11 0.74 -0.49 -0.33 0.00 0.00 0.00 176.54 176.56 3dpk h MET 766 N 0.95 0.63 -0.42 4.80 2.86 -0.85 -2.05 114.93 120.86 3dpk h MET 766 Ca 0.17 -0.37 -0.08 0.00 -2.06 0.00 0.00 59.70 57.37 3dpk h MET 766 Cb 0.53 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 3dpk h MET 766 CO 0.03 0.98 -0.07 0.00 1.06 0.00 0.00 176.91 178.90 3dpk h ALA 767 N 0.96 1.09 -0.04 6.32 0.00 -0.73 -0.94 119.26 125.92 3dpk h ALA 767 Ca 0.02 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3dpk h ALA 767 Cb 1.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3dpk h ALA 767 CO 0.10 0.57 -0.02 0.35 0.00 0.00 0.00 179.25 180.24 3dpk h PHE 768 N 0.66 -0.06 -0.16 0.00 3.57 -1.10 -1.02 116.94 118.83 3dpk h PHE 768 Ca 0.12 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3dpk h PHE 768 Cb 0.52 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3dpk h PHE 768 CO 0.02 -0.04 0.05 -0.07 -2.23 0.00 0.00 178.31 176.05 3dpk h LEU 769 N -0.03 0.07 -1.30 0.59 3.38 -0.99 -2.24 115.31 114.79 3dpk h LEU 769 Ca 0.02 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.11 3dpk h LEU 769 Cb 0.06 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3dpk h LEU 769 CO -0.06 0.06 0.54 0.00 0.09 0.00 0.00 178.44 179.08 3dpk h ALA 770 N 1.09 1.72 0.00 1.53 0.00 -1.09 0.19 119.26 122.71 3dpk h ALA 770 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dpk h ALA 770 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3dpk h ALA 770 CO -0.07 0.10 0.00 0.66 0.00 0.00 0.00 179.25 179.95 3dpk h SER 771 N 0.78 0.00 -0.57 0.00 4.64 -0.61 -2.00 113.55 115.80 3dpk h SER 771 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3dpk h SER 771 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3dpk h SER 771 CO -0.15 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.10 3dpk n LYS 772 N -2.77 2.98 -3.67 4.77 4.76 0.54 -4.76 118.16 120.02 3dpk n LYS 772 Ca 0.01 -2.51 -0.27 0.00 -2.87 0.00 0.00 58.31 52.67 3dpk n LYS 772 Cb 0.26 -1.54 0.05 0.00 -1.84 0.00 0.00 35.03 31.95 3dpk n LYS 772 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3dpk n ASN 773 N 1.06 -5.58 -4.35 4.39 3.02 -0.75 -4.84 115.26 108.22 3dpk n ASN 773 Ca 0.20 -0.61 -0.33 0.00 -0.03 0.00 0.00 54.58 53.81 3dpk n ASN 773 Cb 0.62 -4.43 -0.14 0.00 -0.61 0.00 0.00 39.78 35.22 3dpk n ASN 773 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dpk s ILE 775 N 0.61 4.87 -0.19 0.00 -4.36 0.32 -3.88 121.20 118.57 3dpk s ILE 775 Ca -0.07 -0.16 -0.16 0.00 -0.26 0.00 0.00 60.65 60.00 3dpk s ILE 775 Cb -0.15 -3.14 -0.12 0.00 1.25 0.00 0.00 42.46 40.29 3dpk s ILE 775 CO 0.03 0.51 0.01 1.57 0.24 0.00 0.00 174.94 177.30 3dpk n HIS 776 N 1.71 0.89 -0.93 1.37 -0.00 -1.26 -1.02 115.22 115.98 3dpk n HIS 776 Ca -0.17 0.38 0.00 0.00 -0.00 0.00 0.00 57.72 57.94 3dpk n HIS 776 Cb 0.54 -0.95 0.00 0.00 -0.00 0.00 0.00 29.99 29.57 3dpk n HIS 776 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3dpk n ARG 777 N -4.49 -0.32 -2.70 1.57 1.74 -1.26 -3.90 116.66 107.31 3dpk n ARG 777 Ca -0.24 0.08 -0.06 0.00 -0.77 0.00 0.00 57.85 56.86 3dpk n ARG 777 Cb 0.54 -3.36 0.07 0.00 -1.02 0.00 0.00 32.46 28.69 3dpk n ARG 777 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dpk n ASP 778 N -0.16 0.20 -4.72 0.55 4.64 -1.26 -3.71 116.55 112.09 3dpk n ASP 778 Ca 0.00 -2.49 -0.42 0.00 -1.38 0.00 0.00 54.79 50.50 3dpk n ASP 778 Cb 0.08 0.05 -0.03 0.00 -1.04 0.00 0.00 41.12 40.18 3dpk n ASP 778 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3dpk s VAL 779 N -1.94 3.52 0.00 5.18 1.01 -1.26 -4.77 120.40 122.14 3dpk s VAL 779 Ca 0.24 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.38 3dpk s VAL 779 Cb 0.42 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3dpk s VAL 779 CO -0.03 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.20 3dpk n ALA 780 N 3.35 0.00 -0.15 5.51 0.00 -1.26 -4.77 120.51 123.19 3dpk n ALA 780 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.56 3dpk n ALA 780 Cb 0.44 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.23 3dpk n ALA 780 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dpk h ALA 781 N 0.00 1.63 -0.00 0.00 0.00 -1.92 0.75 119.26 119.72 3dpk h ALA 781 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dpk h ALA 781 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3dpk h ALA 781 CO 0.00 0.29 0.03 0.07 0.00 0.00 0.00 179.25 179.64 3dpk h ARG 782 N 0.79 0.00 -0.35 0.00 0.11 -1.95 -2.49 114.38 110.48 3dpk h ARG 782 Ca 0.27 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.35 3dpk h ARG 782 Cb 0.08 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.16 3dpk h ARG 782 CO -0.08 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.09 3dpk n ASN 783 N -3.14 4.43 -4.37 0.08 3.02 0.25 -4.78 115.26 110.75 3dpk n ASN 783 Ca -0.03 -3.00 -0.33 0.00 -0.03 0.00 0.00 54.58 51.19 3dpk n ASN 783 Cb 0.10 -0.59 -0.15 0.00 -0.61 0.00 0.00 39.78 38.54 3dpk n ASN 783 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dpk s VAL 784 N -2.82 2.87 0.18 2.41 1.01 -0.96 -4.34 120.40 118.75 3dpk s VAL 784 Ca 0.46 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.77 3dpk s VAL 784 Cb 0.36 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3dpk s VAL 784 CO 0.11 0.54 -0.00 -0.76 0.00 0.00 0.00 175.10 174.99 3dpk s LEU 785 N 0.10 3.31 -0.17 3.92 1.02 -0.15 -0.52 118.68 126.19 3dpk s LEU 785 Ca -0.07 -0.40 -0.01 0.00 0.02 0.00 0.00 54.13 53.67 3dpk s LEU 785 Cb -0.15 -1.96 -0.01 0.00 0.02 0.00 0.00 46.19 44.09 3dpk s LEU 785 CO 0.05 0.09 -0.12 -0.76 0.02 0.00 0.00 176.35 175.63 3dpk s LEU 786 N -2.95 2.65 0.00 1.79 1.43 -0.01 -0.46 118.68 121.12 3dpk s LEU 786 Ca 0.27 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3dpk s LEU 786 Cb -0.09 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.50 3dpk s LEU 786 CO 0.19 0.07 0.00 1.07 0.23 0.00 0.00 176.35 177.91 3dpk n THR 787 N 4.15 0.00 -1.56 5.49 5.66 -0.15 -1.02 114.28 126.86 3dpk n THR 787 Ca -0.19 0.00 -0.47 0.00 -3.05 0.00 0.00 64.05 60.34 3dpk n THR 787 Cb 0.52 -0.50 -0.03 0.00 -1.55 0.00 0.00 70.33 68.76 3dpk n THR 787 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3dpk n ASN 788 N -0.76 0.99 -0.05 1.09 4.13 -1.26 0.01 115.26 119.41 3dpk n ASN 788 Ca 0.00 1.16 -0.01 0.00 1.68 0.00 0.00 54.58 57.41 3dpk n ASN 788 Cb 0.00 -1.21 -0.00 0.00 -1.54 0.00 0.00 39.78 37.03 3dpk n ASN 788 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dpk n GLY 789 N 1.68 0.39 3.69 7.41 0.00 -1.26 -3.04 105.19 114.06 3dpk n GLY 789 Ca 0.13 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 3dpk n GLY 789 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dpk n HIS 790 N -2.69 -2.01 -2.64 1.61 8.25 0.10 -4.95 115.22 112.88 3dpk n HIS 790 Ca -0.01 0.70 -0.41 0.00 -0.26 0.00 0.00 57.72 57.75 3dpk n HIS 790 Cb 0.16 -3.50 -0.04 0.00 1.12 0.00 0.00 29.99 27.73 3dpk n HIS 790 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dpk s VAL 791 N -3.15 4.26 0.17 1.59 1.01 -1.14 -4.74 120.40 118.40 3dpk s VAL 791 Ca 0.56 1.89 -0.21 0.00 0.00 0.00 0.00 61.98 64.21 3dpk s VAL 791 Cb -0.29 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 31.81 3dpk s VAL 791 CO 0.68 0.30 0.70 0.00 0.00 0.00 0.00 175.10 176.78 3dpk s ALA 792 N -0.06 3.47 0.03 5.51 0.00 -1.26 -0.97 121.76 128.48 3dpk s ALA 792 Ca 0.48 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.66 3dpk s ALA 792 Cb -0.26 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 3dpk s ALA 792 CO 0.32 0.34 -0.09 0.15 0.00 0.00 0.00 175.76 176.47 3dpk s LYS 793 N -1.49 0.60 0.29 0.00 1.02 0.39 -4.58 119.74 115.98 3dpk s LYS 793 Ca 0.37 -0.64 0.09 0.00 0.02 0.00 0.00 55.97 55.81 3dpk s LYS 793 Cb -0.20 -0.49 -0.04 0.00 -0.52 0.00 0.00 37.83 36.59 3dpk s LYS 793 CO 0.22 0.11 0.08 0.96 -0.92 0.00 0.00 175.35 175.81 3dpk s ILE 794 N -0.97 3.48 0.31 2.17 -4.36 -0.61 -0.98 121.20 120.24 3dpk s ILE 794 Ca -0.04 -1.75 -0.19 0.00 -0.26 0.00 0.00 60.65 58.41 3dpk s ILE 794 Cb -0.08 -2.99 0.05 0.00 1.25 0.00 0.00 42.46 40.69 3dpk s ILE 794 CO 0.01 -0.30 0.82 -0.83 0.24 0.00 0.00 174.94 174.87 3dpk s GLY 795 N -3.76 0.15 -0.69 6.27 0.00 -1.26 -0.33 107.32 107.69 3dpk s GLY 795 Ca 0.34 -0.49 -0.17 0.00 0.00 0.00 0.00 44.72 44.40 3dpk s GLY 795 CO 0.22 0.14 0.72 -0.35 0.00 0.00 0.00 173.10 173.83 3dpk s ASP 796 N -3.06 6.42 -0.07 1.64 -1.08 -1.26 -4.82 116.67 114.44 3dpk s ASP 796 Ca 0.15 -1.99 0.18 0.00 -0.52 0.00 0.00 52.55 50.37 3dpk s ASP 796 Cb -0.05 -2.26 0.60 0.00 -1.46 0.00 0.00 42.92 39.75 3dpk s ASP 796 CO 0.08 -0.88 1.51 0.49 0.52 0.00 0.00 175.17 176.90 3dpk n PHE 797 N 5.35 1.11 0.26 -5.34 0.99 -1.26 -4.63 117.46 113.94 3dpk n PHE 797 Ca 0.01 -0.59 0.10 0.00 -0.00 0.00 0.00 57.45 56.96 3dpk n PHE 797 Cb 0.44 -0.15 0.69 0.00 -1.00 0.00 0.00 39.48 39.46 3dpk n PHE 797 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3dpk h GLY 798 N 3.51 0.00 1.41 1.37 0.00 -1.88 -0.78 103.07 106.71 3dpk h GLY 798 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dpk h GLY 798 CO 0.13 0.00 -0.54 1.41 0.00 0.00 0.00 176.54 177.54 3dpk h LEU 799 N 0.00 0.00 -2.96 3.11 3.38 -1.94 -3.31 115.31 113.59 3dpk h LEU 799 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3dpk h LEU 799 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dpk h LEU 799 CO 0.01 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.56 3dpk n ALA 800 N -2.05 2.23 -2.68 1.53 0.00 -0.75 -2.66 120.51 116.14 3dpk n ALA 800 Ca 0.02 -1.32 -0.40 0.00 0.00 0.00 0.00 53.44 51.75 3dpk n ALA 800 Cb 0.51 -0.35 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 3dpk n ALA 800 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dpk s ARG 801 N -1.31 4.27 -0.76 0.00 6.06 -0.38 -2.73 118.95 124.10 3dpk s ARG 801 Ca 0.20 0.66 -0.19 0.00 -2.50 0.00 0.00 55.73 53.90 3dpk s ARG 801 Cb 0.12 -3.54 -0.14 0.00 0.06 0.00 0.00 34.95 31.45 3dpk s ARG 801 CO 0.10 -0.15 1.93 -3.47 -2.50 0.00 0.00 175.30 171.22 3dpk n ASP 802 N 4.69 2.84 -0.01 -2.12 2.03 -1.04 -3.93 116.55 119.00 3dpk n ASP 802 Ca -0.02 -2.60 -0.10 0.00 0.52 0.00 0.00 54.79 52.60 3dpk n ASP 802 Cb 0.50 -1.08 0.05 0.00 -0.72 0.00 0.00 41.12 39.88 3dpk n ASP 802 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3dpk h ILE 803 N 4.30 1.31 0.00 5.18 2.04 -1.92 -3.13 117.51 125.29 3dpk h ILE 803 Ca 0.42 -1.72 -0.09 0.00 1.00 0.00 0.00 64.86 64.47 3dpk h ILE 803 Cb 0.57 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 3dpk h ILE 803 CO 1.86 0.54 -0.43 0.24 0.00 0.00 0.00 178.15 180.36 3dpk h MET 804 N 0.48 0.00 -0.47 2.37 2.86 -1.96 -3.05 114.93 115.17 3dpk h MET 804 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3dpk h MET 804 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 3dpk h MET 804 CO 0.10 0.43 0.00 0.09 1.06 0.00 0.00 176.91 178.59 3dpk n ASN 805 N -3.79 3.39 -4.21 1.22 3.02 -1.21 -4.89 115.26 108.78 3dpk n ASN 805 Ca -0.01 -2.09 -0.35 0.00 -0.03 0.00 0.00 54.58 52.10 3dpk n ASN 805 Cb 0.49 -0.34 -0.14 0.00 -0.61 0.00 0.00 39.78 39.18 3dpk n ASN 805 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dpk s ASP 806 N -1.05 4.55 0.00 6.41 -1.08 -1.15 -4.99 116.67 119.37 3dpk s ASP 806 Ca 0.33 -0.94 0.22 0.00 -0.52 0.00 0.00 52.55 51.64 3dpk s ASP 806 Cb 0.18 -1.70 1.06 0.00 -1.46 0.00 0.00 42.92 41.01 3dpk s ASP 806 CO 0.21 -0.17 1.72 -1.54 0.52 0.00 0.00 175.17 175.91 3dpk n SER 807 N 4.68 0.00 0.13 -0.34 3.41 -1.26 -1.15 113.62 119.09 3dpk n SER 807 Ca -0.15 0.14 0.13 0.00 -0.26 0.00 0.00 58.87 58.72 3dpk n SER 807 Cb 0.46 -0.35 0.47 0.00 -0.26 0.00 0.00 64.21 64.53 3dpk n SER 807 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3dpk h ASN 808 N 0.00 0.00 -3.73 4.04 2.35 -1.94 -3.40 115.58 112.90 3dpk h ASN 808 Ca 0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.12 3dpk h ASN 808 Cb 0.26 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.48 3dpk h ASN 808 CO 0.00 0.00 -0.38 -0.31 -1.65 0.00 0.00 177.43 175.09 3dpk s TYR 809 N -3.27 3.26 -0.20 1.19 1.51 -0.30 -3.99 117.35 115.56 3dpk s TYR 809 Ca 0.06 0.30 -0.14 0.00 -1.01 0.00 0.00 57.07 56.29 3dpk s TYR 809 Cb 0.10 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 3dpk s TYR 809 CO 0.47 -0.13 0.30 0.42 -1.11 0.00 0.00 175.55 175.50 3dpk s ILE 810 N 1.69 5.28 -0.59 2.71 -1.09 0.13 -4.64 121.20 124.69 3dpk s ILE 810 Ca 0.11 0.52 -0.29 0.00 -2.23 0.00 0.00 60.65 58.76 3dpk s ILE 810 Cb -0.15 -3.64 -0.11 0.00 -1.58 0.00 0.00 42.46 36.98 3dpk s ILE 810 CO 0.09 0.32 2.46 0.52 -1.23 0.00 0.00 174.94 177.09 3dpk n VAL 811 N 4.08 -0.01 -3.99 2.92 0.31 -1.26 -1.29 118.33 119.09 3dpk n VAL 811 Ca -0.11 -0.51 -0.31 0.00 -0.01 0.00 0.00 64.34 63.40 3dpk n VAL 811 Cb 0.52 -2.05 -0.16 0.00 -0.91 0.00 0.00 33.84 31.24 3dpk n VAL 811 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3dpk s ARG 816 N 8.13 1.95 0.05 5.55 1.81 -1.26 -5.21 118.95 129.97 3dpk s ARG 816 Ca 1.10 -0.94 0.07 0.00 -1.72 0.00 0.00 55.73 54.24 3dpk s ARG 816 Cb -0.55 -2.52 -0.03 0.00 -0.45 0.00 0.00 34.95 31.41 3dpk s ARG 816 CO 0.35 -0.49 -0.20 -0.51 -0.68 0.00 0.00 175.30 173.78 3dpk s LEU 817 N 1.36 2.19 -1.36 2.53 1.43 -0.41 -4.95 118.68 119.47 3dpk s LEU 817 Ca -0.03 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 3dpk s LEU 817 Cb -0.17 -0.91 0.10 0.00 0.03 0.00 0.00 46.19 45.24 3dpk s LEU 817 CO -0.07 0.12 2.01 -0.81 0.23 0.00 0.00 176.35 177.84 3dpk n PRO 818 N 1.72 3.23 -0.19 1.29 -0.04 -1.26 0.20 135.00 139.95 3dpk n PRO 818 Ca -0.18 -3.10 0.03 0.00 -0.04 0.00 0.00 63.50 60.21 3dpk n PRO 818 Cb 0.53 -3.13 0.29 0.00 -0.04 0.00 0.00 33.50 31.16 3dpk n PRO 818 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3dpk h VAL 819 N 4.00 1.13 0.00 0.52 2.07 -1.94 -1.11 116.25 120.93 3dpk h VAL 819 Ca 0.48 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3dpk h VAL 819 Cb 0.66 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3dpk h VAL 819 CO 1.72 0.16 0.00 0.29 0.02 0.00 0.00 177.57 179.77 3dpk n LYS 820 N -4.45 0.08 -0.00 1.57 5.02 -1.26 -2.22 118.16 116.90 3dpk n LYS 820 Ca 0.08 0.38 0.09 0.00 -2.02 0.00 0.00 58.31 56.84 3dpk n LYS 820 Cb 0.09 -1.67 -0.11 0.00 -0.02 0.00 0.00 35.03 33.32 3dpk n LYS 820 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3dpk n TRP 821 N -1.82 0.00 -3.28 2.13 8.01 -0.43 -4.98 117.44 117.07 3dpk n TRP 821 Ca 0.02 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.85 3dpk n TRP 821 Cb 0.16 -0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.40 3dpk n TRP 821 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3dpk s MET 822 N -2.82 4.07 0.59 -0.99 -1.94 -0.94 -3.98 119.30 113.29 3dpk s MET 822 Ca 0.07 0.62 -0.18 0.00 -1.71 0.00 0.00 55.69 54.49 3dpk s MET 822 Cb 0.14 -2.93 -0.03 0.00 2.01 0.00 0.00 34.83 34.02 3dpk s MET 822 CO 0.79 0.46 1.12 0.00 -0.01 0.00 0.00 175.02 177.39 3dpk s ALA 823 N -1.46 2.60 0.25 3.03 0.00 -1.26 -4.86 121.76 120.06 3dpk s ALA 823 Ca 0.39 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 53.01 3dpk s ALA 823 Cb -0.16 -3.34 0.30 0.00 0.00 0.00 0.00 23.12 19.92 3dpk s ALA 823 CO 0.20 -0.99 1.91 -1.00 0.00 0.00 0.00 175.76 175.88 3dpk h PRO 824 N 0.71 1.26 -0.16 0.00 0.13 -1.94 -1.20 132.00 130.80 3dpk h PRO 824 Ca -0.49 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.55 3dpk h PRO 824 Cb 1.26 -0.28 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 3dpk h PRO 824 CO 0.56 0.83 0.01 1.05 -0.23 0.00 0.00 178.00 180.22 3dpk h GLU 825 N 1.29 0.22 -0.09 0.86 9.09 -1.92 0.40 114.58 124.44 3dpk h GLU 825 Ca 0.38 -0.03 -0.18 0.00 0.05 0.00 0.00 59.36 59.59 3dpk h GLU 825 Cb -0.06 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 26.99 3dpk h GLU 825 CO -0.11 0.23 -0.70 0.77 0.05 0.00 0.00 179.01 179.25 3dpk h SER 826 N 0.22 0.47 -0.01 3.06 0.02 -1.14 0.33 113.55 116.50 3dpk h SER 826 Ca 0.05 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.57 3dpk h SER 826 Cb 0.13 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.54 3dpk h SER 826 CO 0.00 1.03 -0.51 0.40 -1.14 0.00 0.00 176.83 176.61 3dpk h ILE 827 N 0.28 1.44 0.00 3.27 2.04 -0.26 -2.44 117.51 121.84 3dpk h ILE 827 Ca -0.02 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 63.83 3dpk h ILE 827 Cb 1.26 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.92 3dpk h ILE 827 CO 0.12 0.58 -1.05 0.49 0.00 0.00 0.00 178.15 178.29 3dpk n PHE 828 N -4.29 0.65 -0.53 1.37 3.72 0.13 -4.36 117.46 114.16 3dpk n PHE 828 Ca -0.10 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 3dpk n PHE 828 Cb 0.62 -0.75 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 3dpk n PHE 828 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3dpk n ASP 829 N -2.39 0.64 -1.91 4.37 8.00 0.06 -5.00 116.55 120.33 3dpk n ASP 829 Ca 0.01 -1.16 -0.15 0.00 0.71 0.00 0.00 54.79 54.19 3dpk n ASP 829 Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.57 3dpk n ASP 829 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dpk s VAL 831 N -2.52 4.87 -0.07 0.00 1.01 -0.99 -4.92 120.40 117.78 3dpk s VAL 831 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.54 3dpk s VAL 831 Cb 0.00 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.32 3dpk s VAL 831 CO 0.00 0.32 -0.06 -0.31 0.00 0.00 0.00 175.10 175.05 3dpk s TYR 832 N 0.31 1.07 0.30 5.22 1.51 -1.26 -2.93 117.35 121.56 3dpk s TYR 832 Ca 0.38 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 56.05 3dpk s TYR 832 Cb -0.19 -0.93 -0.02 0.00 -0.11 0.00 0.00 41.96 40.71 3dpk s TYR 832 CO 0.21 -0.32 0.31 0.95 -1.11 0.00 0.00 175.55 175.59 3dpk s THR 833 N 1.30 0.00 0.22 -0.71 -4.23 -1.26 -4.99 115.64 105.97 3dpk s THR 833 Ca -0.04 -1.85 -0.09 0.00 -1.18 0.00 0.00 61.69 58.53 3dpk s THR 833 Cb -0.14 -2.52 0.17 0.00 1.34 0.00 0.00 72.50 71.35 3dpk s THR 833 CO -0.03 0.00 1.85 0.58 -0.54 0.00 0.00 174.62 176.49 3dpk h VAL 834 N 2.25 1.09 -0.41 2.29 2.07 -1.99 -1.96 116.25 119.58 3dpk h VAL 834 Ca -0.28 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 66.93 3dpk h VAL 834 Cb 1.24 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3dpk h VAL 834 CO 0.41 0.17 0.27 1.56 0.02 0.00 0.00 177.57 179.99 3dpk h GLN 835 N 0.91 0.51 -0.40 1.57 7.50 -1.93 -0.25 115.11 123.02 3dpk h GLN 835 Ca 0.31 -0.03 -0.09 0.00 0.50 0.00 0.00 58.65 59.34 3dpk h GLN 835 Cb 0.05 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.45 3dpk h GLN 835 CO -0.13 0.34 -0.11 0.66 -1.50 0.00 0.00 178.83 178.09 3dpk h SER 836 N 0.52 0.70 -0.28 1.46 4.64 -1.76 -2.57 113.55 116.26 3dpk h SER 836 Ca 0.15 -0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 3dpk h SER 836 Cb -0.02 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 3dpk h SER 836 CO -0.03 0.83 0.01 0.44 -0.87 0.00 0.00 176.83 177.21 3dpk h ASP 837 N 0.65 0.56 -0.75 4.97 3.32 -0.39 -2.50 116.42 122.27 3dpk h ASP 837 Ca 0.11 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3dpk h ASP 837 Cb 0.56 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3dpk h ASP 837 CO 0.03 0.62 0.30 0.58 -1.72 0.00 0.00 179.24 179.05 3dpk h VAL 838 N 0.57 1.25 -0.78 -1.35 2.07 -0.80 -0.02 116.25 117.19 3dpk h VAL 838 Ca 0.12 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.86 3dpk h VAL 838 Cb 0.35 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 3dpk h VAL 838 CO 0.01 0.33 0.50 -0.25 0.02 0.00 0.00 177.57 178.18 3dpk h TRP 839 N 1.11 0.93 -0.14 1.57 2.91 -1.09 -2.10 115.95 119.15 3dpk h TRP 839 Ca 0.25 0.02 -0.15 0.00 1.13 0.00 0.00 58.89 60.15 3dpk h TRP 839 Cb 0.22 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 28.55 3dpk h TRP 839 CO 0.02 0.54 -0.54 0.77 -1.03 0.00 0.00 178.44 178.20 3dpk h SER 840 N 0.97 0.45 -0.93 2.65 0.02 -1.12 -2.34 113.55 113.24 3dpk h SER 840 Ca 0.31 -0.24 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 3dpk h SER 840 Cb 0.00 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.36 3dpk h SER 840 CO -0.11 0.90 0.60 0.22 -1.14 0.00 0.00 176.83 177.31 3dpk h TYR 841 N 0.31 1.13 -0.85 3.45 3.20 -0.54 -0.96 116.97 122.70 3dpk h TYR 841 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3dpk h TYR 841 Cb 1.05 -0.37 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 3dpk h TYR 841 CO 0.03 0.63 0.51 0.78 -1.64 0.00 0.00 178.16 178.47 3dpk h GLY 842 N 1.15 1.24 1.02 1.82 0.00 -0.86 0.02 103.07 107.47 3dpk h GLY 842 Ca 0.38 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3dpk h GLY 842 CO -0.13 0.51 0.39 -2.22 0.00 0.00 0.00 176.54 175.09 3dpk h ILE 843 N 1.17 1.24 -0.82 2.60 1.08 -1.08 -2.02 117.51 119.68 3dpk h ILE 843 Ca 0.31 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 3dpk h ILE 843 Cb -0.04 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 33.91 3dpk h ILE 843 CO -0.06 0.28 0.45 0.25 -0.69 0.00 0.00 178.15 178.39 3dpk h LEU 844 N 1.10 1.03 -0.81 1.44 5.85 -0.60 -1.28 115.31 122.04 3dpk h LEU 844 Ca 0.27 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3dpk h LEU 844 Cb 0.09 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3dpk h LEU 844 CO -0.04 0.84 0.52 -0.07 -0.34 0.00 0.00 178.44 179.34 3dpk h LEU 845 N 1.15 0.95 -0.66 2.25 3.38 -0.59 -0.33 115.31 121.44 3dpk h LEU 845 Ca 0.29 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3dpk h LEU 845 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3dpk h LEU 845 CO -0.05 0.70 0.31 -0.25 0.09 0.00 0.00 178.44 179.25 3dpk h TRP 846 N 1.10 0.97 -0.64 1.13 7.01 -0.83 -0.70 115.95 123.99 3dpk h TRP 846 Ca 0.29 -0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.27 3dpk h TRP 846 Cb -0.09 -0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 26.63 3dpk h TRP 846 CO -0.01 0.73 0.38 0.93 -2.79 0.00 0.00 178.44 177.69 3dpk h GLU 847 N 0.92 0.72 0.22 2.65 5.08 -0.36 -0.85 114.58 122.96 3dpk h GLU 847 Ca 0.23 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3dpk h GLU 847 Cb 0.14 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3dpk h GLU 847 CO -0.03 0.48 -0.11 0.82 -1.00 0.00 0.00 179.01 179.18 3dpk h ILE 848 N 0.74 0.85 -0.00 3.13 2.04 -0.68 0.49 117.51 124.08 3dpk h ILE 848 Ca 0.26 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3dpk h ILE 848 Cb 0.06 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3dpk h ILE 848 CO -0.12 0.09 -0.02 0.49 0.00 0.00 0.00 178.15 178.59 3dpk n PHE 849 N -5.13 0.00 0.92 1.37 3.72 -0.31 -1.20 117.46 116.83 3dpk n PHE 849 Ca -0.09 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 3dpk n PHE 849 Cb 0.21 -0.21 0.25 0.00 -0.94 0.00 0.00 39.48 38.79 3dpk n PHE 849 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3dpk n SER 850 N -1.16 2.67 -3.70 4.37 3.41 -0.33 -1.71 113.62 117.17 3dpk n SER 850 Ca 0.16 -1.87 -0.25 0.00 -0.26 0.00 0.00 58.87 56.65 3dpk n SER 850 Cb 0.22 -0.09 0.06 0.00 -0.26 0.00 0.00 64.21 64.14 3dpk n SER 850 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dpk n LEU 851 N 1.03 -3.15 0.00 1.04 4.77 -0.34 -3.79 117.00 116.55 3dpk n LEU 851 Ca 0.17 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3dpk n LEU 851 Cb 0.52 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.75 3dpk n LEU 851 CO 0.15 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3dpk n GLY 852 N -1.79 0.84 3.75 -0.72 0.00 0.17 -4.14 105.19 103.30 3dpk n GLY 852 Ca -0.03 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 3dpk n GLY 852 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dpk s LEU 853 N 0.00 3.55 0.11 0.99 1.43 -1.25 -4.92 118.68 118.59 3dpk s LEU 853 Ca 0.00 2.32 -0.31 0.00 -1.03 0.00 0.00 54.13 55.11 3dpk s LEU 853 Cb 0.00 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.56 3dpk s LEU 853 CO 0.00 -1.74 1.32 0.21 0.23 0.00 0.00 176.35 176.37 3dpk s ASN 854 N -1.83 6.92 0.79 2.29 3.84 -1.26 -4.73 114.94 120.96 3dpk s ASN 854 Ca 0.75 2.23 -0.14 0.00 0.21 0.00 0.00 52.86 55.92 3dpk s ASN 854 Cb -0.29 -2.59 0.06 0.00 -0.55 0.00 0.00 41.25 37.89 3dpk s ASN 854 CO 0.37 -0.57 1.13 -2.65 -2.79 0.00 0.00 177.10 172.59 3dpk n PRO 855 N 3.76 0.25 -3.75 0.43 -0.02 -1.26 -3.37 135.00 131.04 3dpk n PRO 855 Ca 0.10 0.16 -0.34 0.00 -2.02 0.00 0.00 63.50 61.39 3dpk n PRO 855 Cb 0.44 -2.38 0.04 0.00 -0.02 0.00 0.00 33.50 31.57 3dpk n PRO 855 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dpk n TYR 856 N -3.13 -1.82 -1.64 6.00 4.01 -1.26 -4.77 117.16 114.56 3dpk n TYR 856 Ca 0.13 0.38 -0.54 0.00 -0.16 0.00 0.00 57.90 57.71 3dpk n TYR 856 Cb 0.50 -3.30 -0.06 0.00 -0.31 0.00 0.00 39.34 36.16 3dpk n TYR 856 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3dpk n PRO 857 N -4.33 1.20 -0.69 -0.72 -0.02 -1.22 -1.12 135.00 128.10 3dpk n PRO 857 Ca -0.10 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3dpk n PRO 857 Cb 0.58 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3dpk n PRO 857 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dpk n GLY 858 N 3.19 0.94 3.65 -1.23 0.00 -1.26 -4.98 105.19 105.50 3dpk n GLY 858 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3dpk n GLY 858 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dpk s ILE 859 N -2.93 5.23 0.45 -0.61 1.01 -0.28 -5.07 121.20 119.00 3dpk s ILE 859 Ca 0.00 0.56 -0.21 0.00 0.00 0.00 0.00 60.65 61.00 3dpk s ILE 859 Cb 0.00 -3.67 -0.10 0.00 0.01 0.00 0.00 42.46 38.70 3dpk s ILE 859 CO 0.00 0.25 0.98 -0.76 0.00 0.00 0.00 174.94 175.40 3dpk s LEU 860 N 1.44 3.90 -0.41 2.97 1.43 -1.26 -4.97 118.68 121.78 3dpk s LEU 860 Ca 0.16 1.75 -0.28 0.00 -1.03 0.00 0.00 54.13 54.72 3dpk s LEU 860 Cb -0.15 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.55 3dpk s LEU 860 CO 0.08 -0.48 1.08 -0.69 0.23 0.00 0.00 176.35 176.57 3dpk s VAL 861 N -2.14 4.37 0.24 -1.59 1.01 -1.26 -4.49 120.40 116.53 3dpk s VAL 861 Ca 0.63 1.38 -0.19 0.00 0.00 0.00 0.00 61.98 63.81 3dpk s VAL 861 Cb -0.11 -4.50 0.07 0.00 0.00 0.00 0.00 36.38 31.84 3dpk s VAL 861 CO 0.16 -0.76 0.94 -0.46 0.00 0.00 0.00 175.10 174.97 3dpk n ASN 862 N 7.35 -1.84 -0.32 3.32 0.23 -1.26 -4.99 115.26 117.75 3dpk n ASN 862 Ca 0.11 -2.07 0.19 0.00 -0.53 0.00 0.00 54.58 52.28 3dpk n ASN 862 Cb 0.48 3.02 0.38 0.00 -2.08 0.00 0.00 39.78 41.58 3dpk n ASN 862 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3dpk h SER 863 N 1.92 0.24 -0.52 0.53 0.02 -2.00 0.44 113.55 114.18 3dpk h SER 863 Ca -0.28 0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 3dpk h SER 863 Cb 1.17 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.90 3dpk h SER 863 CO 0.37 -0.16 0.07 0.11 -1.14 0.00 0.00 176.83 176.08 3dpk h LYS 864 N 0.26 0.92 0.01 3.45 1.57 -1.96 -2.04 116.57 118.77 3dpk h LYS 864 Ca 0.65 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3dpk h LYS 864 Cb 1.41 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3dpk h LYS 864 CO -0.64 0.87 -0.00 0.35 -0.57 0.00 0.00 179.45 179.46 3dpk h PHE 865 N 0.87 -0.01 -0.97 -1.35 3.57 -0.35 -1.44 116.94 117.26 3dpk h PHE 865 Ca 0.17 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.72 3dpk h PHE 865 Cb 0.42 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 3dpk h PHE 865 CO 0.03 0.11 0.63 1.88 -2.23 0.00 0.00 178.31 178.73 3dpk h TYR 866 N -0.12 1.18 -0.41 0.41 -1.99 -1.34 -2.06 116.97 112.63 3dpk h TYR 866 Ca -0.00 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 3dpk h TYR 866 Cb 0.12 -0.39 -0.02 0.00 2.00 0.00 0.00 36.73 38.44 3dpk h TYR 866 CO -0.04 0.66 -0.02 0.87 -0.00 0.00 0.00 178.16 179.63 3dpk h LYS 867 N 1.20 0.66 0.36 4.88 1.57 -1.17 -1.51 116.57 122.56 3dpk h LYS 867 Ca 0.40 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3dpk h LYS 867 Cb 0.05 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3dpk h LYS 867 CO -0.14 0.70 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.20 3dpk h LEU 868 N 0.62 -0.41 -0.85 2.94 3.38 -0.65 -0.53 115.31 119.81 3dpk h LEU 868 Ca 0.13 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3dpk h LEU 868 Cb 0.42 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3dpk h LEU 868 CO 0.02 -0.16 0.03 -0.37 0.09 0.00 0.00 178.44 178.05 3dpk h VAL 869 N -0.64 1.25 -0.36 1.22 -1.51 -1.30 -0.84 116.25 114.07 3dpk h VAL 869 Ca -0.05 -1.01 -0.02 0.00 -1.23 0.00 0.00 66.70 64.39 3dpk h VAL 869 Cb 0.46 0.80 -0.02 0.00 -2.13 0.00 0.00 31.29 30.40 3dpk h VAL 869 CO 0.08 0.36 0.13 0.50 -1.23 0.00 0.00 177.57 177.41 3dpk h LYS 870 N 0.83 0.51 -0.17 5.19 3.64 -1.19 -2.37 116.57 123.00 3dpk h LYS 870 Ca 0.16 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3dpk h LYS 870 Cb 0.45 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3dpk h LYS 870 CO 0.02 0.44 0.00 -0.25 -2.27 0.00 0.00 179.45 177.38 3dpk n ASP 871 N -4.38 1.81 0.00 4.20 9.92 -0.22 -4.91 116.55 122.98 3dpk n ASP 871 Ca 0.02 -1.72 0.00 0.00 -0.53 0.00 0.00 54.79 52.56 3dpk n ASP 871 Cb 0.15 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 3dpk n ASP 871 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dpk n GLY 872 N 1.16 0.92 3.75 0.44 0.00 -0.71 -5.04 105.19 105.71 3dpk n GLY 872 Ca 0.16 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3dpk n GLY 872 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dpk s TYR 873 N -2.00 2.73 0.01 1.61 5.04 -0.55 -5.01 117.35 119.18 3dpk s TYR 873 Ca 0.00 0.82 0.03 0.00 -2.44 0.00 0.00 57.07 55.48 3dpk s TYR 873 Cb 0.00 -4.07 -0.01 0.00 0.35 0.00 0.00 41.96 38.23 3dpk s TYR 873 CO 0.00 -3.53 -0.10 -0.65 -1.34 0.00 0.00 175.55 169.93 3dpk s GLN 874 N -0.68 0.76 0.69 4.97 -0.21 -1.26 -4.63 119.66 119.29 3dpk s GLN 874 Ca 0.62 -0.46 -0.17 0.00 0.02 0.00 0.00 55.36 55.37 3dpk s GLN 874 Cb -0.48 -0.72 0.01 0.00 1.00 0.00 0.00 33.01 32.83 3dpk s GLN 874 CO 0.50 0.19 1.25 -1.33 -2.12 0.00 0.00 175.29 173.77 3dpk n MET 875 N 2.51 0.86 -1.98 2.91 2.81 -1.26 -4.97 117.12 118.00 3dpk n MET 875 Ca -0.15 0.35 -0.33 0.00 -1.81 0.00 0.00 57.70 55.76 3dpk n MET 875 Cb 0.56 -2.49 0.02 0.00 -0.71 0.00 0.00 33.22 30.61 3dpk n MET 875 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dpk s ALA 876 N -1.58 2.61 -0.03 3.04 0.00 -1.26 -4.95 121.76 119.58 3dpk s ALA 876 Ca 0.80 0.57 -0.37 0.00 0.00 0.00 0.00 51.96 52.96 3dpk s ALA 876 Cb -0.36 -3.30 -0.15 0.00 0.00 0.00 0.00 23.12 19.31 3dpk s ALA 876 CO 0.43 -1.00 1.56 0.94 0.00 0.00 0.00 175.76 177.69 3dpk n GLN 877 N -2.01 1.41 -1.49 0.00 7.27 -1.26 -4.93 117.38 116.37 3dpk n GLN 877 Ca 0.10 0.51 -0.32 0.00 0.07 0.00 0.00 57.00 57.36 3dpk n GLN 877 Cb 0.52 -2.21 0.07 0.00 2.41 0.00 0.00 30.24 31.03 3dpk n GLN 877 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 3dpk s PRO 878 N 1.88 2.46 0.54 3.69 0.02 -1.26 -4.93 135.00 137.40 3dpk s PRO 878 Ca 0.89 1.34 0.21 0.00 0.02 0.00 0.00 61.00 63.45 3dpk s PRO 878 Cb -0.92 -1.91 1.40 0.00 0.02 0.00 0.00 34.50 33.09 3dpk s PRO 878 CO 0.52 -1.51 2.13 0.00 -0.33 0.00 0.00 177.00 177.81 3dpk h ALA 879 N -0.52 2.01 -0.36 -1.55 0.00 -1.92 -2.79 119.26 114.13 3dpk h ALA 879 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dpk h ALA 879 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3dpk h ALA 879 CO 0.52 -0.15 0.00 1.19 0.00 0.00 0.00 179.25 180.81 3dpk n PHE 880 N -4.35 0.48 -2.90 0.00 3.01 -0.70 -4.95 117.46 108.05 3dpk n PHE 880 Ca -0.00 -0.47 -0.42 0.00 1.01 0.00 0.00 57.45 57.57 3dpk n PHE 880 Cb 0.21 -0.02 -0.04 0.00 -0.01 0.00 0.00 39.48 39.61 3dpk n PHE 880 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dpk s ALA 881 N -1.00 3.52 0.74 4.37 0.00 -1.05 -4.95 121.76 123.38 3dpk s ALA 881 Ca 0.25 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.67 3dpk s ALA 881 Cb 0.13 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 3dpk s ALA 881 CO 0.17 -1.25 0.70 -2.30 0.00 0.00 0.00 175.76 173.07 3dpk n PRO 882 N 6.31 0.32 -0.10 0.00 -0.02 -1.26 -4.77 135.00 135.49 3dpk n PRO 882 Ca 0.05 0.16 0.01 0.00 -2.02 0.00 0.00 63.50 61.70 3dpk n PRO 882 Cb 0.48 -1.99 0.31 0.00 -0.02 0.00 0.00 33.50 32.28 3dpk n PRO 882 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3dpk h LYS 883 N -0.43 0.75 -0.04 -0.52 3.11 -1.98 -1.43 116.57 116.03 3dpk h LYS 883 Ca -0.46 -0.07 -0.06 0.00 -2.81 0.00 0.00 60.65 57.26 3dpk h LYS 883 Cb 1.34 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.40 3dpk h LYS 883 CO 0.44 0.55 -0.23 -0.91 -2.81 0.00 0.00 179.45 176.48 3dpk h ASN 884 N 0.76 0.06 0.05 4.20 -0.26 -2.00 -0.91 115.58 117.49 3dpk h ASN 884 Ca 0.20 -0.01 -0.23 0.00 -0.56 0.00 0.00 56.30 55.70 3dpk h ASN 884 Cb 0.00 -0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.26 3dpk h ASN 884 CO -0.03 0.30 -0.86 0.40 -1.06 0.00 0.00 177.43 176.18 3dpk h ILE 885 N 0.06 1.32 0.00 2.81 1.08 -1.63 -2.86 117.51 118.29 3dpk h ILE 885 Ca 0.01 -2.15 -0.05 0.00 -0.39 0.00 0.00 64.86 62.28 3dpk h ILE 885 Cb 0.45 2.17 -0.01 0.00 -3.07 0.00 0.00 36.82 36.37 3dpk h ILE 885 CO 0.03 0.66 -0.23 0.22 -0.69 0.00 0.00 178.15 178.15 3dpk h TYR 886 N 0.40 0.00 0.00 1.37 3.20 -0.84 -1.14 116.97 119.96 3dpk h TYR 886 Ca -0.07 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.72 3dpk h TYR 886 Cb 1.48 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.74 3dpk h TYR 886 CO 0.08 0.23 -0.39 0.77 -1.64 0.00 0.00 178.16 177.20 3dpk h SER 887 N 0.00 0.00 -0.22 -2.11 0.02 -0.96 -1.29 113.55 108.99 3dpk h SER 887 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3dpk h SER 887 Cb 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3dpk h SER 887 CO 0.03 0.39 0.03 0.40 -1.14 0.00 0.00 176.83 176.54 3dpk h ILE 888 N 0.00 1.23 -0.32 3.27 2.04 -1.06 -1.87 117.51 120.82 3dpk h ILE 888 Ca -0.00 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.13 3dpk h ILE 888 Cb 0.70 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.06 3dpk h ILE 888 CO 0.05 0.24 -0.02 0.24 0.00 0.00 0.00 178.15 178.66 3dpk h MET 889 N 0.15 0.06 -0.90 2.37 2.86 -1.09 0.35 114.93 118.74 3dpk h MET 889 Ca 0.06 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3dpk h MET 889 Cb 0.34 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 3dpk h MET 889 CO 0.01 0.04 0.55 1.96 1.06 0.00 0.00 176.91 180.53 3dpk h GLN 890 N 0.06 1.21 -0.67 1.72 4.20 -1.15 -0.81 115.11 119.67 3dpk h GLN 890 Ca 0.15 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 3dpk h GLN 890 Cb 0.21 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 3dpk h GLN 890 CO -0.28 0.84 0.20 0.00 -0.67 0.00 0.00 178.83 178.92 3dpk h ALA 891 N 1.30 0.88 0.00 3.87 0.00 -0.74 -2.11 119.26 122.47 3dpk h ALA 891 Ca 0.32 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3dpk h ALA 891 Cb -0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3dpk h ALA 891 CO -0.06 0.57 -0.12 0.00 0.00 0.00 0.00 179.25 179.63 3dpk n TRP 893 N -3.71 1.46 -1.70 0.00 8.01 -0.40 -3.76 117.44 117.34 3dpk n TRP 893 Ca -0.02 -0.55 -0.44 0.00 -1.31 0.00 0.00 57.50 55.18 3dpk n TRP 893 Cb 0.23 -0.29 -0.02 0.00 -2.01 0.00 0.00 31.31 29.22 3dpk n TRP 893 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3dpk n ALA 894 N 0.84 1.63 0.09 6.99 0.00 -0.97 -4.88 120.51 124.22 3dpk n ALA 894 Ca 0.23 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 54.06 3dpk n ALA 894 Cb 0.88 -2.35 0.26 0.00 0.00 0.00 0.00 19.45 18.24 3dpk n ALA 894 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dpk h LEU 895 N 4.57 0.26 -8.96 0.00 3.38 -1.92 -3.40 115.31 109.24 3dpk h LEU 895 Ca -0.46 -0.09 -0.59 0.00 0.09 0.00 0.00 57.88 56.83 3dpk h LEU 895 Cb 1.26 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 3dpk h LEU 895 CO 0.78 0.58 0.56 -0.70 0.09 0.00 0.00 178.44 179.75 3dpk s GLU 896 N -4.30 4.06 0.45 1.13 2.12 -1.26 -4.94 118.70 115.95 3dpk s GLU 896 Ca -0.05 0.85 0.11 0.00 0.36 0.00 0.00 54.97 56.23 3dpk s GLU 896 Cb 0.14 -3.71 1.00 0.00 0.26 0.00 0.00 34.13 31.82 3dpk s GLU 896 CO 0.76 -0.70 2.08 -1.35 -0.54 0.00 0.00 175.26 175.51 3dpk h PRO 897 N 7.97 0.30 0.00 4.30 0.11 -1.97 -1.13 132.00 141.59 3dpk h PRO 897 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3dpk h PRO 897 Cb 1.08 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3dpk h PRO 897 CO 0.93 0.23 0.00 0.25 -0.21 0.00 0.00 178.00 179.20 3dpk n THR 898 N -4.48 0.72 1.48 -1.15 -2.24 -1.26 -2.00 114.28 105.35 3dpk n THR 898 Ca 0.00 0.02 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 3dpk n THR 898 Cb 0.09 -0.92 0.56 0.00 -2.10 0.00 0.00 70.33 67.97 3dpk n THR 898 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3dpk n HIS 899 N -2.22 0.00 -2.78 4.78 8.25 -0.43 -4.87 115.22 117.94 3dpk n HIS 899 Ca 0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.15 3dpk n HIS 899 Cb 0.31 -0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.28 3dpk n HIS 899 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3dpk s ARG 900 N -2.24 4.33 0.99 -0.41 0.52 -0.85 -4.89 118.95 116.40 3dpk s ARG 900 Ca 0.34 1.22 -0.12 0.00 -0.52 0.00 0.00 55.73 56.65 3dpk s ARG 900 Cb 0.20 -2.41 0.18 0.00 0.52 0.00 0.00 34.95 33.45 3dpk s ARG 900 CO 0.42 0.05 1.08 -1.25 0.02 0.00 0.00 175.30 175.63 3dpk s PRO 901 N -2.76 0.53 0.41 3.54 0.04 -1.26 -5.06 135.00 130.44 3dpk s PRO 901 Ca 0.58 0.74 0.01 0.00 0.04 0.00 0.00 61.00 62.38 3dpk s PRO 901 Cb -0.13 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 3dpk s PRO 901 CO 0.18 -2.72 0.62 0.95 0.04 0.00 0.00 177.00 176.06 3dpk s THR 902 N -2.85 4.19 0.27 1.26 -4.23 -1.26 -4.95 115.64 108.08 3dpk s THR 902 Ca 0.65 -0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 60.56 3dpk s THR 902 Cb -0.20 -3.53 0.14 0.00 1.34 0.00 0.00 72.50 70.25 3dpk s THR 902 CO 0.59 -0.34 1.80 -0.26 -0.54 0.00 0.00 174.62 175.86 3dpk h PHE 903 N 0.54 0.87 -0.79 3.99 0.04 -1.93 -1.73 116.94 117.93 3dpk h PHE 903 Ca -0.47 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.21 3dpk h PHE 903 Cb 1.25 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 39.11 3dpk h PHE 903 CO 0.46 0.75 0.51 0.37 -0.60 0.00 0.00 178.31 179.80 3dpk h GLN 904 N 0.79 1.04 -0.87 1.51 5.75 -1.93 -0.09 115.11 121.31 3dpk h GLN 904 Ca 0.17 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 3dpk h GLN 904 Cb 0.35 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 3dpk h GLN 904 CO 0.01 0.70 0.57 1.96 -2.65 0.00 0.00 178.83 179.42 3dpk h GLN 905 N 1.07 1.15 -0.37 1.69 4.20 -1.89 -0.07 115.11 120.89 3dpk h GLN 905 Ca 0.29 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 3dpk h GLN 905 Cb -0.10 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.40 3dpk h GLN 905 CO -0.06 0.76 0.22 0.82 -0.67 0.00 0.00 178.83 179.90 3dpk h ILE 906 N 1.18 1.13 -0.20 2.54 2.04 -0.85 -0.97 117.51 122.39 3dpk h ILE 906 Ca 0.32 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3dpk h ILE 906 Cb -0.13 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3dpk h ILE 906 CO -0.07 0.13 0.11 0.00 0.00 0.00 0.00 178.15 178.32 3dpk h SER 908 N 0.22 -0.25 -0.78 0.00 0.87 -0.87 -0.30 113.55 112.44 3dpk h SER 908 Ca 0.07 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3dpk h SER 908 Cb 0.05 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3dpk h SER 908 CO -0.01 -0.10 0.34 0.15 -0.53 0.00 0.00 176.83 176.68 3dpk h PHE 909 N -0.03 1.15 -0.70 2.24 3.57 -1.00 -2.47 116.94 119.70 3dpk h PHE 909 Ca 0.10 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3dpk h PHE 909 Cb 0.19 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3dpk h PHE 909 CO -0.24 0.86 0.27 -0.07 -2.23 0.00 0.00 178.31 176.90 3dpk h LEU 910 N 1.11 0.98 -0.54 0.59 3.38 -0.69 -2.89 115.31 117.24 3dpk h LEU 910 Ca 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3dpk h LEU 910 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3dpk h LEU 910 CO -0.03 0.89 0.31 1.56 0.09 0.00 0.00 178.44 181.27 3dpk h GLN 911 N 1.00 0.75 0.00 1.13 1.08 -0.78 -3.51 115.11 114.77 3dpk h GLN 911 Ca 0.23 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3dpk h GLN 911 Cb 0.23 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3dpk h GLN 911 CO -0.02 0.56 0.00 0.39 -0.95 0.00 0.00 178.83 178.81