#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnl s LYS 515 N 0.00 3.74 0.20 1.61 2.20 0.53 -4.66 119.74 123.36 2pnl s LYS 515 Ca 0.00 0.16 -0.33 0.00 -0.36 0.00 0.00 55.97 55.44 2pnl s LYS 515 Cb 0.00 -3.05 -0.13 0.00 -1.51 0.00 0.00 37.83 33.14 2pnl s LYS 515 CO 0.00 0.60 1.60 0.34 -0.36 0.00 0.00 175.35 177.53 2pnl n PHE 516 N 1.10 2.45 -3.81 4.03 -0.00 -1.26 -0.75 117.46 119.22 2pnl n PHE 516 Ca -0.10 0.23 -0.29 0.00 -0.00 0.00 0.00 57.45 57.29 2pnl n PHE 516 Cb 0.52 -2.57 -0.16 0.00 -0.00 0.00 0.00 39.48 37.28 2pnl n PHE 516 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2pnl s SER 517 N 0.85 3.76 0.44 -2.13 0.15 0.10 -4.80 113.70 112.07 2pnl s SER 517 Ca 0.75 -1.35 0.13 0.00 0.70 0.00 0.00 55.95 56.18 2pnl s SER 517 Cb -0.61 -0.95 0.98 0.00 -1.71 0.00 0.00 66.02 63.74 2pnl s SER 517 CO 0.39 -0.34 2.01 -0.09 1.20 0.00 0.00 173.24 176.41 2pnl h ARG 518 N 8.05 0.11 -0.10 5.44 9.65 -1.93 -2.18 114.38 133.42 2pnl h ARG 518 Ca -0.15 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.63 2pnl h ARG 518 Cb 1.06 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 2pnl h ARG 518 CO 0.42 0.21 -0.27 0.00 2.80 0.00 0.00 179.97 183.14 2pnl h ALA 519 N 1.80 0.17 -0.66 2.80 0.00 -1.97 -1.88 119.26 119.51 2pnl h ALA 519 Ca 0.02 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2pnl h ALA 519 Cb 0.24 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2pnl h ALA 519 CO 0.01 0.17 0.38 1.25 0.00 0.00 0.00 179.25 181.07 2pnl h LEU 520 N -0.09 0.58 0.16 0.00 5.85 -1.93 -1.27 115.31 118.61 2pnl h LEU 520 Ca -0.01 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2pnl h LEU 520 Cb 0.88 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 2pnl h LEU 520 CO 0.06 0.39 -0.45 0.50 -0.34 0.00 0.00 178.44 178.60 2pnl h LYS 521 N 0.72 -0.68 -0.43 1.25 3.64 -1.32 -0.34 116.57 119.41 2pnl h LYS 521 Ca 0.29 0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.63 2pnl h LYS 521 Cb 0.14 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2pnl h LYS 521 CO -0.16 -0.45 -0.09 -0.91 -2.27 0.00 0.00 179.45 175.56 2pnl h ASN 522 N -0.71 0.73 -0.13 4.20 2.35 -1.28 -0.40 115.58 120.35 2pnl h ASN 522 Ca 0.01 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2pnl h ASN 522 Cb 0.71 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2pnl h ASN 522 CO -0.23 0.86 0.07 0.03 -1.65 0.00 0.00 177.43 176.50 2pnl h ARG 523 N 0.68 0.18 0.03 0.81 3.08 -1.11 -1.84 114.38 116.22 2pnl h ARG 523 Ca 0.12 -0.02 -0.27 0.00 0.07 0.00 0.00 59.98 59.88 2pnl h ARG 523 Cb 0.55 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.59 2pnl h ARG 523 CO 0.03 0.19 -1.08 -0.07 -1.07 0.00 0.00 179.97 177.97 2pnl h LEU 524 N 0.11 0.89 -1.60 3.04 3.38 -0.98 -3.27 115.31 116.88 2pnl h LEU 524 Ca 0.04 -0.76 -0.00 0.00 0.09 0.00 0.00 57.88 57.25 2pnl h LEU 524 Cb 0.06 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2pnl h LEU 524 CO -0.01 1.55 -0.00 -0.33 0.09 0.00 0.00 178.44 179.74 2pnl h GLU 525 N 0.34 0.00 -0.02 1.13 5.08 -1.14 -2.65 114.58 117.32 2pnl h GLU 525 Ca -0.14 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2pnl h GLU 525 Cb 1.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.99 2pnl h GLU 525 CO 0.21 0.00 0.12 0.66 -1.00 0.00 0.00 179.01 179.01 2pnl h SER 526 N 0.00 0.00 0.20 1.42 4.64 -1.38 -0.24 113.55 118.19 2pnl h SER 526 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pnl h SER 526 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2pnl h SER 526 CO 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 176.83 175.61 2pnl n ALA 527 N -2.07 3.27 -1.75 5.18 0.00 -1.00 -4.95 120.51 119.19 2pnl n ALA 527 Ca -0.02 -0.45 -0.37 0.00 0.00 0.00 0.00 53.44 52.59 2pnl n ALA 527 Cb 0.19 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 18.64 2pnl n ALA 527 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2pnl s ASN 528 N -2.56 5.07 0.21 0.00 0.02 -0.10 -4.70 114.94 112.88 2pnl s ASN 528 Ca 0.21 2.60 -0.21 0.00 -1.02 0.00 0.00 52.86 54.45 2pnl s ASN 528 Cb 0.19 -2.62 0.04 0.00 0.02 0.00 0.00 41.25 38.88 2pnl s ASN 528 CO 0.56 -1.69 0.62 -0.72 0.02 0.00 0.00 177.10 175.89 2pnl s TYR 529 N -1.42 -0.29 -1.08 2.20 -0.85 -0.15 -4.99 117.35 110.77 2pnl s TYR 529 Ca 0.76 -0.05 -0.16 0.00 -0.52 0.00 0.00 57.07 57.10 2pnl s TYR 529 Cb -0.36 0.57 -0.02 0.00 0.38 0.00 0.00 41.96 42.53 2pnl s TYR 529 CO 0.40 -1.01 0.80 0.39 -1.52 0.00 0.00 175.55 174.61 2pnl n GLU 530 N -0.40 -1.39 -1.98 -3.49 1.02 -1.26 -0.12 120.64 113.03 2pnl n GLU 530 Ca -0.10 0.60 -0.41 0.00 -0.02 0.00 0.00 57.16 57.23 2pnl n GLU 530 Cb 0.62 -4.40 -0.02 0.00 -0.02 0.00 0.00 31.44 27.62 2pnl n GLU 530 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2pnl s GLU 531 N -5.49 4.24 0.00 3.49 2.12 -1.26 -3.65 118.70 118.15 2pnl s GLU 531 Ca 0.42 2.34 0.02 0.00 0.36 0.00 0.00 54.97 58.11 2pnl s GLU 531 Cb -0.13 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 2pnl s GLU 531 CO 0.84 -0.46 -0.07 0.08 -0.54 0.00 0.00 175.26 175.11 2pnl s VAL 532 N 0.09 0.52 -0.20 3.70 1.01 0.60 -4.98 120.40 121.14 2pnl s VAL 532 Ca 0.61 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 2pnl s VAL 532 Cb -0.43 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2pnl s VAL 532 CO 0.43 0.08 0.06 -0.70 0.00 0.00 0.00 175.10 174.96 2pnl s GLU 533 N -0.34 3.83 0.16 2.72 2.12 -1.26 -1.13 118.70 124.80 2pnl s GLU 533 Ca 0.01 -0.41 0.09 0.00 0.36 0.00 0.00 54.97 55.02 2pnl s GLU 533 Cb -0.03 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2pnl s GLU 533 CO -0.00 0.10 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.20 2pnl s LEU 534 N 0.83 2.93 1.11 2.70 1.43 0.30 -4.96 118.68 123.02 2pnl s LEU 534 Ca 0.03 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 2pnl s LEU 534 Cb -0.14 -1.65 0.25 0.00 0.03 0.00 0.00 46.19 44.68 2pnl s LEU 534 CO 0.02 0.12 1.06 -2.16 0.23 0.00 0.00 176.35 175.63 2pnl s PRO 535 N -2.65 -0.50 0.25 1.29 0.04 -1.26 -1.01 135.00 131.16 2pnl s PRO 535 Ca 0.23 0.53 -0.31 0.00 0.04 0.00 0.00 61.00 61.49 2pnl s PRO 535 Cb -0.09 -1.63 -0.11 0.00 0.04 0.00 0.00 34.50 32.71 2pnl s PRO 535 CO 0.14 -3.36 1.62 -2.14 0.04 0.00 0.00 177.00 173.29 2pnl s PRO 536 N -4.82 4.15 0.36 0.56 0.02 -1.26 -4.29 135.00 129.71 2pnl s PRO 536 Ca 0.67 2.54 -0.29 0.00 0.02 0.00 0.00 61.00 63.94 2pnl s PRO 536 Cb -0.20 -3.06 -0.11 0.00 0.02 0.00 0.00 34.50 31.15 2pnl s PRO 536 CO 0.60 -0.65 1.52 -2.14 -0.33 0.00 0.00 177.00 176.01 2pnl s PRO 537 N 0.21 4.10 0.31 5.54 0.02 -1.26 -4.91 135.00 139.00 2pnl s PRO 537 Ca 0.67 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.29 2pnl s PRO 537 Cb -0.47 -2.98 0.49 0.00 0.02 0.00 0.00 34.50 31.56 2pnl s PRO 537 CO 0.41 -0.58 1.88 0.66 -0.33 0.00 0.00 177.00 179.05 2pnl h SER 538 N 3.49 0.73 -5.31 2.53 4.64 -1.93 -3.39 113.55 114.31 2pnl h SER 538 Ca -0.50 -0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 60.60 2pnl h SER 538 Cb 1.23 -0.19 -0.08 0.00 -0.31 0.00 0.00 62.40 63.06 2pnl h SER 538 CO 0.68 0.67 -0.11 -1.59 -0.87 0.00 0.00 176.83 175.62 2pnl s LYS 539 N -5.33 1.73 0.00 4.77 -2.85 -1.26 -0.11 119.74 116.68 2pnl s LYS 539 Ca -0.10 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.44 2pnl s LYS 539 Cb 0.16 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.41 2pnl s LYS 539 CO 0.79 -0.73 0.00 0.41 0.10 0.00 0.00 175.35 175.92 2pnl n GLY 540 N -0.45 -1.35 3.31 0.59 0.00 -1.06 -4.25 105.19 101.98 2pnl n GLY 540 Ca -0.02 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 2pnl n GLY 540 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnl s VAL 541 N -2.53 0.07 -0.07 1.61 0.11 -0.70 -4.26 120.40 114.63 2pnl s VAL 541 Ca 0.00 -0.58 0.03 0.00 -2.93 0.00 0.00 61.98 58.50 2pnl s VAL 541 Cb 0.00 -1.14 0.01 0.00 -1.53 0.00 0.00 36.38 33.72 2pnl s VAL 541 CO 0.00 -0.32 -0.15 -0.63 -3.33 0.00 0.00 175.10 170.67 2pnl s ILE 542 N -3.62 1.35 0.18 7.04 1.01 -1.26 -0.12 121.20 125.78 2pnl s ILE 542 Ca 0.02 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.13 2pnl s ILE 542 Cb 0.02 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 2pnl s ILE 542 CO -0.11 0.40 -0.13 0.68 0.00 0.00 0.00 174.94 175.79 2pnl s VAL 543 N 0.61 1.47 0.19 2.92 -7.23 -0.64 -1.36 120.40 116.37 2pnl s VAL 543 Ca -0.15 -2.12 0.03 0.00 -1.81 0.00 0.00 61.98 57.93 2pnl s VAL 543 Cb -0.16 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 2pnl s VAL 543 CO 0.05 -0.65 0.33 -2.16 -0.31 0.00 0.00 175.10 172.35 2pnl s PRO 544 N -3.64 3.45 -0.00 4.82 0.04 -1.26 -0.55 135.00 137.86 2pnl s PRO 544 Ca 0.19 -0.61 0.03 0.00 0.04 0.00 0.00 61.00 60.65 2pnl s PRO 544 Cb 0.00 -2.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.62 2pnl s PRO 544 CO 0.04 0.47 -0.08 0.08 0.04 0.00 0.00 177.00 177.54 2pnl s VAL 545 N -1.85 0.66 -0.15 -0.36 1.01 -0.71 -4.84 120.40 114.16 2pnl s VAL 545 Ca 0.35 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 2pnl s VAL 545 Cb -0.10 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2pnl s VAL 545 CO 0.29 0.14 0.04 -0.69 0.00 0.00 0.00 175.10 174.88 2pnl s VAL 546 N -0.29 4.61 -0.14 2.92 1.01 -1.26 -1.65 120.40 125.59 2pnl s VAL 546 Ca 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2pnl s VAL 546 Cb -0.04 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 2pnl s VAL 546 CO -0.00 0.51 -0.07 -1.00 0.00 0.00 0.00 175.10 174.54 2pnl s HIS 547 N -0.03 2.95 0.25 5.22 3.76 0.17 -4.96 115.29 122.65 2pnl s HIS 547 Ca 0.05 -0.37 0.02 0.00 -0.15 0.00 0.00 55.06 54.61 2pnl s HIS 547 Cb -0.12 -1.90 -0.05 0.00 1.11 0.00 0.00 32.58 31.61 2pnl s HIS 547 CO 0.01 -0.05 0.07 0.95 -0.85 0.00 0.00 174.74 174.87 2pnl s THR 548 N 0.25 0.67 -0.08 1.30 -4.23 -1.26 -2.81 115.64 109.48 2pnl s THR 548 Ca -0.05 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.40 2pnl s THR 548 Cb -0.14 -2.58 0.03 0.00 1.34 0.00 0.00 72.50 71.15 2pnl s THR 548 CO 0.04 -0.08 0.21 0.54 -0.54 0.00 0.00 174.62 174.79 2pnl s VAL 549 N -3.67 -0.01 0.35 2.29 0.11 -1.26 -5.05 120.40 113.15 2pnl s VAL 549 Ca 0.36 0.04 0.12 0.00 -2.93 0.00 0.00 61.98 59.56 2pnl s VAL 549 Cb 0.08 -0.31 0.34 0.00 -1.53 0.00 0.00 36.38 34.96 2pnl s VAL 549 CO 0.12 0.02 1.77 0.07 -3.33 0.00 0.00 175.10 173.76 2pnl h LYS 550 N 6.16 0.56 0.00 1.54 -0.00 -2.02 0.31 116.57 123.12 2pnl h LYS 550 Ca -0.29 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.32 2pnl h LYS 550 Cb 1.18 -0.13 0.00 0.00 -0.00 0.00 0.00 32.23 33.29 2pnl h LYS 550 CO 0.38 0.37 0.00 -1.13 -0.00 0.00 0.00 179.45 179.07 2pnl n SER 551 N -4.72 0.00 -3.05 7.07 3.41 -1.26 -3.63 113.62 111.44 2pnl n SER 551 Ca 0.24 0.26 -0.24 0.00 -0.26 0.00 0.00 58.87 58.87 2pnl n SER 551 Cb 0.71 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 64.25 2pnl n SER 551 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pnl n ALA 552 N -1.38 3.75 -1.66 7.33 0.00 0.10 -5.11 120.51 123.54 2pnl n ALA 552 Ca 0.05 -4.27 -0.44 0.00 0.00 0.00 0.00 53.44 48.79 2pnl n ALA 552 Cb 0.14 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 2pnl n ALA 552 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2pnl n PRO 553 N 0.03 1.85 -0.91 0.00 -0.02 -1.24 -2.44 135.00 132.28 2pnl n PRO 553 Ca 0.29 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2pnl n PRO 553 Cb 0.48 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2pnl n PRO 553 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pnl n GLY 554 N 1.47 0.58 3.64 -1.23 0.00 -1.26 -5.01 105.19 103.37 2pnl n GLY 554 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2pnl n GLY 554 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pnl s GLU 555 N -0.40 2.70 0.15 1.61 2.02 -1.02 -0.35 118.70 123.40 2pnl s GLU 555 Ca 0.00 -0.64 -0.14 0.00 0.02 0.00 0.00 54.97 54.21 2pnl s GLU 555 Cb 0.00 -2.60 0.02 0.00 0.10 0.00 0.00 34.13 31.65 2pnl s GLU 555 CO 0.00 0.62 0.39 0.00 0.02 0.00 0.00 175.26 176.30 2pnl s ALA 556 N -1.01 -0.70 0.16 5.21 0.00 0.07 -4.68 121.76 120.82 2pnl s ALA 556 Ca 0.17 -0.30 -0.16 0.00 0.00 0.00 0.00 51.96 51.67 2pnl s ALA 556 Cb -0.11 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.78 2pnl s ALA 556 CO 0.08 -0.67 0.44 -0.59 0.00 0.00 0.00 175.76 175.02 2pnl s PHE 557 N -3.86 -0.11 0.26 0.00 -0.12 -1.12 0.01 117.98 113.04 2pnl s PHE 557 Ca 0.07 -0.22 0.10 0.00 -0.05 0.00 0.00 56.93 56.83 2pnl s PHE 557 Cb 0.02 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.65 2pnl s PHE 557 CO -0.07 -0.80 -0.03 0.20 -0.05 0.00 0.00 175.22 174.47 2pnl s GLY 558 N -2.85 1.69 0.34 1.99 0.00 -1.26 0.41 107.32 107.64 2pnl s GLY 558 Ca 0.07 -1.66 0.05 0.00 0.00 0.00 0.00 44.72 43.17 2pnl s GLY 558 CO -0.07 -1.73 0.35 -1.35 0.00 0.00 0.00 173.10 170.31 2pnl s SER 559 N -3.59 1.52 0.05 1.64 1.04 -0.66 -4.74 113.70 108.97 2pnl s SER 559 Ca 0.31 -1.70 0.08 0.00 0.48 0.00 0.00 55.95 55.11 2pnl s SER 559 Cb -0.06 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 2pnl s SER 559 CO 0.19 -1.16 -0.20 -0.76 0.98 0.00 0.00 173.24 172.29 2pnl s LEU 560 N -3.34 2.52 0.09 2.42 1.43 -1.26 -1.74 118.68 118.80 2pnl s LEU 560 Ca 0.38 -0.48 0.10 0.00 -1.03 0.00 0.00 54.13 53.10 2pnl s LEU 560 Cb 0.01 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 2pnl s LEU 560 CO 0.26 0.25 -0.25 0.00 0.23 0.00 0.00 176.35 176.84 2pnl s ALA 561 N -0.92 2.38 -0.10 4.21 0.00 0.28 0.05 121.76 127.66 2pnl s ALA 561 Ca 0.14 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.77 2pnl s ALA 561 Cb -0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 2pnl s ALA 561 CO 0.05 0.55 -0.21 -1.50 0.00 0.00 0.00 175.76 174.64 2pnl s ILE 562 N -0.97 2.33 -0.26 0.00 2.07 0.28 -1.62 121.20 123.03 2pnl s ILE 562 Ca 0.14 -0.93 -0.07 0.00 -1.41 0.00 0.00 60.65 58.38 2pnl s ILE 562 Cb -0.10 -1.91 -0.01 0.00 0.13 0.00 0.00 42.46 40.57 2pnl s ILE 562 CO 0.05 0.55 0.07 -0.63 -1.91 0.00 0.00 174.94 173.07 2pnl s ILE 563 N 0.25 4.11 0.18 2.00 1.01 0.83 -0.92 121.20 128.67 2pnl s ILE 563 Ca -0.14 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.19 2pnl s ILE 563 Cb -0.17 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 2pnl s ILE 563 CO 0.07 0.25 -0.14 0.27 0.00 0.00 0.00 174.94 175.39 2pnl s ILE 564 N 1.56 1.63 0.27 2.92 -4.36 -0.43 -1.71 121.20 121.08 2pnl s ILE 564 Ca 0.05 -2.09 -0.29 0.00 -0.26 0.00 0.00 60.65 58.06 2pnl s ILE 564 Cb -0.16 -1.92 -0.09 0.00 1.25 0.00 0.00 42.46 41.53 2pnl s ILE 564 CO 0.03 -0.55 1.17 -2.84 0.24 0.00 0.00 174.94 172.99 2pnl s PRO 565 N -3.41 4.54 0.00 0.37 0.02 -1.26 -0.54 135.00 134.72 2pnl s PRO 565 Ca 0.19 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.13 2pnl s PRO 565 Cb -0.02 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.33 2pnl s PRO 565 CO 0.06 0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.19 2pnl n GLY 566 N 1.32 2.17 3.52 0.52 0.00 0.12 -4.83 105.19 108.01 2pnl n GLY 566 Ca 0.00 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 2pnl n GLY 566 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pnl s GLU 567 N -2.22 3.53 -0.36 1.61 2.02 -1.26 -2.55 118.70 119.47 2pnl s GLU 567 Ca 0.00 -0.61 0.12 0.00 0.02 0.00 0.00 54.97 54.50 2pnl s GLU 567 Cb 0.00 -3.74 0.45 0.00 0.10 0.00 0.00 34.13 30.94 2pnl s GLU 567 CO 0.00 -0.40 1.06 0.66 0.02 0.00 0.00 175.26 176.60 2pnl n TYR 568 N 5.07 2.27 0.26 1.61 4.01 -1.26 -4.91 117.16 124.22 2pnl n TYR 568 Ca -0.13 -2.77 0.09 0.00 -0.16 0.00 0.00 57.90 54.93 2pnl n TYR 568 Cb 0.50 -0.24 0.67 0.00 -0.31 0.00 0.00 39.34 39.97 2pnl n TYR 568 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2pnl h PRO 569 N 2.68 0.00 0.00 -0.72 0.13 -1.96 -0.85 132.00 131.29 2pnl h PRO 569 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2pnl h PRO 569 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2pnl h PRO 569 CO 0.64 0.05 0.00 1.05 -0.23 0.00 0.00 178.00 179.51 2pnl h GLU 570 N 0.00 0.00 -0.00 0.86 -0.00 -1.98 0.44 114.58 113.89 2pnl h GLU 570 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2pnl h GLU 570 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.85 2pnl h GLU 570 CO 0.01 0.00 -0.16 1.28 -0.00 0.00 0.00 179.01 180.14 2pnl n LEU 571 N -2.79 0.54 -4.88 3.06 4.77 -0.32 -4.88 117.00 112.51 2pnl n LEU 571 Ca -0.02 -0.01 -0.36 0.00 -0.03 0.00 0.00 56.01 55.59 2pnl n LEU 571 Cb 0.09 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 2pnl n LEU 571 CO 0.18 0.10 -0.09 -0.76 -1.33 0.00 0.00 177.39 175.49 2pnl s LEU 572 N -2.56 4.40 0.48 2.23 1.43 0.14 -4.47 118.68 120.33 2pnl s LEU 572 Ca 0.26 0.57 -0.22 0.00 -1.03 0.00 0.00 54.13 53.70 2pnl s LEU 572 Cb 0.20 -2.41 -0.09 0.00 0.03 0.00 0.00 46.19 43.92 2pnl s LEU 572 CO 0.50 0.33 1.00 -0.67 0.23 0.00 0.00 176.35 177.74 2pnl n ASP 573 N 1.57 1.13 0.25 2.29 2.03 -1.26 -4.86 116.55 117.70 2pnl n ASP 573 Ca -0.15 0.96 0.08 0.00 0.52 0.00 0.00 54.79 56.20 2pnl n ASP 573 Cb 0.54 -1.37 0.61 0.00 -0.72 0.00 0.00 41.12 40.18 2pnl n ASP 573 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pnl h ALA 574 N 1.24 1.89 0.00 -1.67 0.00 -1.92 -1.01 119.26 117.78 2pnl h ALA 574 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2pnl h ALA 574 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2pnl h ALA 574 CO 0.55 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.96 2pnl n ASN 575 N -4.44 0.00 -0.49 0.00 4.13 -1.26 -2.08 115.26 111.12 2pnl n ASN 575 Ca -0.03 0.43 0.06 0.00 1.68 0.00 0.00 54.58 56.72 2pnl n ASN 575 Cb 0.14 -0.46 0.07 0.00 -1.54 0.00 0.00 39.78 37.98 2pnl n ASN 575 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pnl n GLN 576 N -1.46 1.02 -2.09 3.52 6.02 -0.39 -3.51 117.38 120.49 2pnl n GLN 576 Ca 0.03 -1.35 -0.42 0.00 -0.01 0.00 0.00 57.00 55.25 2pnl n GLN 576 Cb 0.11 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.15 2pnl n GLN 576 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2pnl n GLN 577 N 0.61 3.29 -4.53 -1.09 6.02 -0.88 -3.10 117.38 117.69 2pnl n GLN 577 Ca 0.08 -3.14 -0.22 0.00 -0.01 0.00 0.00 57.00 53.71 2pnl n GLN 577 Cb 0.31 -3.09 -0.15 0.00 1.02 0.00 0.00 30.24 28.33 2pnl n GLN 577 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2pnl s VAL 578 N 1.65 0.98 -0.25 5.09 1.01 -1.26 -4.98 120.40 122.64 2pnl s VAL 578 Ca 0.43 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 2pnl s VAL 578 Cb 0.11 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.67 2pnl s VAL 578 CO -0.03 0.29 -0.06 -0.22 0.00 0.00 0.00 175.10 175.08 2pnl s LEU 579 N 0.06 3.18 0.20 3.92 2.96 -1.26 -0.51 118.68 127.23 2pnl s LEU 579 Ca -0.02 -0.86 0.06 0.00 -0.22 0.00 0.00 54.13 53.09 2pnl s LEU 579 Cb -0.08 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2pnl s LEU 579 CO 0.01 -0.13 0.15 -0.44 -1.32 0.00 0.00 176.35 174.62 2pnl s SER 580 N 1.33 5.46 0.04 3.68 0.01 -0.80 -4.97 113.70 118.46 2pnl s SER 580 Ca 0.00 -0.20 0.08 0.00 1.31 0.00 0.00 55.95 57.14 2pnl s SER 580 Cb -0.17 -1.39 -0.03 0.00 0.21 0.00 0.00 66.02 64.64 2pnl s SER 580 CO -0.04 0.03 -0.23 -1.00 0.41 0.00 0.00 173.24 172.41 2pnl s HIS 581 N -1.91 2.43 0.59 2.43 0.09 -1.26 -1.10 115.29 116.55 2pnl s HIS 581 Ca 0.31 -0.34 -0.16 0.00 -0.00 0.00 0.00 55.06 54.87 2pnl s HIS 581 Cb -0.09 -1.42 -0.04 0.00 -0.00 0.00 0.00 32.58 31.03 2pnl s HIS 581 CO 0.24 0.19 1.07 -0.06 -0.00 0.00 0.00 174.74 176.18 2pnl s PHE 582 N -0.86 2.88 0.22 1.40 0.40 -0.78 0.13 117.98 121.38 2pnl s PHE 582 Ca 0.13 1.53 -0.31 0.00 -0.60 0.00 0.00 56.93 57.68 2pnl s PHE 582 Cb -0.10 -3.07 -0.15 0.00 0.51 0.00 0.00 43.02 40.21 2pnl s PHE 582 CO 0.04 -1.25 1.08 0.00 0.70 0.00 0.00 175.22 175.79 2pnl n ALA 583 N -1.94 -0.60 -0.28 5.36 0.00 0.11 -4.26 120.51 118.89 2pnl n ALA 583 Ca 0.09 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2pnl n ALA 583 Cb 0.52 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2pnl n ALA 583 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pnl n ASN 584 N 1.71 0.00 -3.48 0.00 3.02 -1.26 -3.69 115.26 111.56 2pnl n ASN 584 Ca 0.13 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.41 2pnl n ASN 584 Cb 0.28 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.36 2pnl n ASN 584 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2pnl n ASP 585 N 4.48 2.32 -0.37 6.41 2.03 -1.26 -4.88 116.55 125.27 2pnl n ASP 585 Ca 0.00 -3.10 0.08 0.00 0.52 0.00 0.00 54.79 52.28 2pnl n ASP 585 Cb 0.00 -0.67 0.16 0.00 -0.72 0.00 0.00 41.12 39.89 2pnl n ASP 585 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pnl n THR 586 N 1.46 1.91 0.00 5.18 -2.24 -1.24 -4.93 114.28 114.43 2pnl n THR 586 Ca 0.26 -2.61 0.00 0.00 -2.27 0.00 0.00 64.05 59.43 2pnl n THR 586 Cb 0.43 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2pnl n THR 586 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pnl n GLY 587 N -1.18 -1.80 3.82 3.38 0.00 -1.26 -1.06 105.19 107.08 2pnl n GLY 587 Ca 0.17 -2.14 -0.05 0.00 0.00 0.00 0.00 46.02 43.99 2pnl n GLY 587 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pnl s SER 588 N -2.71 -0.14 -0.10 1.61 1.04 -1.26 -1.86 113.70 110.28 2pnl s SER 588 Ca 0.00 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.80 2pnl s SER 588 Cb 0.00 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.77 2pnl s SER 588 CO 0.00 -1.19 -0.12 -0.69 0.98 0.00 0.00 173.24 172.22 2pnl s VAL 589 N -3.13 1.27 0.31 5.02 1.01 -0.26 -0.43 120.40 124.18 2pnl s VAL 589 Ca 0.14 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 2pnl s VAL 589 Cb -0.04 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 2pnl s VAL 589 CO 0.06 0.40 1.02 0.26 0.00 0.00 0.00 175.10 176.83 2pnl s TRP 590 N 1.16 3.62 0.00 5.22 0.52 0.05 -1.90 118.94 127.61 2pnl s TRP 590 Ca -0.04 1.75 0.00 0.00 0.02 0.00 0.00 56.10 57.83 2pnl s TRP 590 Cb -0.14 -3.10 0.00 0.00 -1.15 0.00 0.00 33.47 29.08 2pnl s TRP 590 CO -0.03 -0.18 0.00 0.41 0.02 0.00 0.00 176.95 177.17 2pnl n GLY 591 N 0.91 0.65 3.49 0.98 0.00 0.33 -0.85 105.19 110.70 2pnl n GLY 591 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2pnl n GLY 591 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pnl s ILE 592 N -2.47 3.41 -0.86 -0.61 1.01 -1.25 -0.84 121.20 119.58 2pnl s ILE 592 Ca 0.00 -0.57 0.23 0.00 0.00 0.00 0.00 60.65 60.31 2pnl s ILE 592 Cb 0.00 -2.41 -0.11 0.00 0.01 0.00 0.00 42.46 39.96 2pnl s ILE 592 CO 0.00 0.56 1.12 0.61 0.00 0.00 0.00 174.94 177.23 2pnl n GLY 593 N 2.80 -1.16 3.30 6.18 0.00 0.90 -3.78 105.19 113.43 2pnl n GLY 593 Ca -0.18 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 2pnl n GLY 593 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pnl s GLU 594 N -3.07 1.24 0.82 1.61 2.02 -1.26 -5.01 118.70 115.05 2pnl s GLU 594 Ca 0.07 -1.15 -0.11 0.00 0.02 0.00 0.00 54.97 53.80 2pnl s GLU 594 Cb 0.16 -1.51 0.09 0.00 0.10 0.00 0.00 34.13 32.97 2pnl s GLU 594 CO 0.79 0.36 1.14 -0.51 0.02 0.00 0.00 175.26 177.06 2pnl s ASP 595 N -1.77 3.77 -0.30 -0.19 1.01 -1.26 -4.70 116.67 113.23 2pnl s ASP 595 Ca 0.08 2.11 -0.10 0.00 0.71 0.00 0.00 52.55 55.34 2pnl s ASP 595 Cb -0.10 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 2pnl s ASP 595 CO 0.04 -2.54 0.17 -0.63 0.21 0.00 0.00 175.17 172.42 2pnl s ILE 596 N -2.57 4.89 -1.65 0.77 1.01 0.35 -4.91 121.20 119.09 2pnl s ILE 596 Ca 0.67 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.15 2pnl s ILE 596 Cb -0.22 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.83 2pnl s ILE 596 CO 0.54 0.15 0.64 -0.81 0.00 0.00 0.00 174.94 175.46 2pnl n PRO 597 N 5.02 0.78 -4.30 2.79 -0.04 -1.26 -0.99 135.00 136.99 2pnl n PRO 597 Ca -0.14 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.14 2pnl n PRO 597 Cb 0.50 -1.13 -0.09 0.00 -0.04 0.00 0.00 33.50 32.74 2pnl n PRO 597 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2pnl s PHE 598 N -1.65 1.57 0.34 0.54 -0.12 -1.26 -4.78 117.98 112.62 2pnl s PHE 598 Ca 0.00 -1.46 -0.12 0.00 -0.05 0.00 0.00 56.93 55.30 2pnl s PHE 598 Cb 0.00 -0.77 -0.08 0.00 -0.63 0.00 0.00 43.02 41.54 2pnl s PHE 598 CO 0.00 -0.64 0.72 -1.21 -0.05 0.00 0.00 175.22 174.04 2pnl s GLU 599 N -3.77 3.88 0.00 1.99 2.02 -1.26 0.05 118.70 121.62 2pnl s GLU 599 Ca 0.37 0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.89 2pnl s GLU 599 Cb 0.04 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.83 2pnl s GLU 599 CO 0.19 0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.99 2pnl n GLY 600 N -0.71 2.14 2.15 -1.39 0.00 -1.25 -4.89 105.19 101.24 2pnl n GLY 600 Ca 0.03 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.70 2pnl n GLY 600 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pnl n ASP 601 N -0.87 5.71 -3.13 1.61 5.75 -1.21 -4.93 116.55 119.49 2pnl n ASP 601 Ca 0.00 -3.76 -0.20 0.00 -0.01 0.00 0.00 54.79 50.82 2pnl n ASP 601 Cb 0.00 -0.53 0.02 0.00 -1.03 0.00 0.00 41.12 39.58 2pnl n ASP 601 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2pnl n ASN 602 N -0.75 -6.97 -4.18 -1.12 5.03 -0.22 -5.01 115.26 102.04 2pnl n ASN 602 Ca 0.49 0.22 -0.29 0.00 0.87 0.00 0.00 54.58 55.87 2pnl n ASN 602 Cb 0.86 -3.92 -0.16 0.00 -1.02 0.00 0.00 39.78 35.53 2pnl n ASN 602 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pnl s TYR 605 N 0.11 1.84 -0.07 0.00 2.02 0.42 0.15 117.35 121.82 2pnl s TYR 605 Ca -0.08 -0.55 0.03 0.00 -0.37 0.00 0.00 57.07 56.09 2pnl s TYR 605 Cb -0.14 -0.87 0.01 0.00 -0.40 0.00 0.00 41.96 40.55 2pnl s TYR 605 CO 0.04 0.40 -0.15 0.99 -1.57 0.00 0.00 175.55 175.26 2pnl s THR 606 N -2.91 1.38 -0.27 -0.71 2.01 0.29 -0.77 115.64 114.67 2pnl s THR 606 Ca 0.25 -0.63 -0.21 0.00 0.31 0.00 0.00 61.69 61.41 2pnl s THR 606 Cb -0.01 -1.23 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 2pnl s THR 606 CO 0.09 0.41 0.67 0.00 -0.69 0.00 0.00 174.62 175.10 2pnl s ALA 607 N 0.53 3.59 -0.02 7.40 0.00 -0.03 -1.31 121.76 131.92 2pnl s ALA 607 Ca -0.15 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.43 2pnl s ALA 607 Cb -0.16 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 2pnl s ALA 607 CO 0.05 -0.93 -0.23 -0.51 0.00 0.00 0.00 175.76 174.14 2pnl s LEU 608 N 2.62 2.04 -0.09 0.00 1.43 -0.09 -4.62 118.68 119.96 2pnl s LEU 608 Ca 0.28 -0.43 -0.35 0.00 -1.03 0.00 0.00 54.13 52.60 2pnl s LEU 608 Cb -0.15 -1.21 -0.12 0.00 0.03 0.00 0.00 46.19 44.74 2pnl s LEU 608 CO 0.10 0.27 1.85 -2.65 0.23 0.00 0.00 176.35 176.15 2pnl n PRO 609 N 2.59 2.07 -3.20 1.29 -0.02 -1.26 -0.56 135.00 135.91 2pnl n PRO 609 Ca -0.16 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 2pnl n PRO 609 Cb 0.52 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 2pnl n PRO 609 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2pnl s LEU 610 N 3.82 4.71 -0.00 2.45 2.96 0.11 -3.00 118.68 129.72 2pnl s LEU 610 Ca 0.92 -0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 54.18 2pnl s LEU 610 Cb -0.73 -2.56 -0.31 0.00 0.50 0.00 0.00 46.19 43.09 2pnl s LEU 610 CO 0.52 -0.72 0.84 0.50 -1.32 0.00 0.00 176.35 176.17 2pnl h LYS 611 N 8.84 0.40 -1.83 1.98 3.64 -0.16 -3.41 116.57 126.03 2pnl h LYS 611 Ca -0.26 -0.68 0.00 0.00 -1.27 0.00 0.00 60.65 58.44 2pnl h LYS 611 Cb 1.10 0.25 -0.23 0.00 -0.41 0.00 0.00 32.23 32.95 2pnl h LYS 611 CO 0.87 1.31 0.28 -2.00 -2.27 0.00 0.00 179.45 177.63 2pnl s GLU 612 N -2.60 0.73 -0.29 1.90 2.12 -0.72 -5.00 118.70 114.84 2pnl s GLU 612 Ca -0.11 0.73 -0.15 0.00 0.36 0.00 0.00 54.97 55.79 2pnl s GLU 612 Cb 0.05 0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.77 2pnl s GLU 612 CO 0.88 -0.11 0.38 0.42 -0.54 0.00 0.00 175.26 176.29 2pnl s ILE 613 N 0.07 5.16 0.69 -3.70 1.01 -1.26 -0.88 121.20 122.30 2pnl s ILE 613 Ca -0.00 0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.90 2pnl s ILE 613 Cb -0.04 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.69 2pnl s ILE 613 CO -0.01 0.06 1.25 -0.54 0.00 0.00 0.00 174.94 175.71 2pnl s LYS 614 N 2.09 2.30 0.29 2.79 -0.14 0.38 -4.89 119.74 122.56 2pnl s LYS 614 Ca 0.14 1.91 0.00 0.00 -1.36 0.00 0.00 55.97 56.67 2pnl s LYS 614 Cb -0.16 -1.83 0.70 0.00 -1.68 0.00 0.00 37.83 34.85 2pnl s LYS 614 CO 0.11 -1.75 1.60 0.00 -0.76 0.00 0.00 175.35 174.55 2pnl h ARG 615 N 0.09 0.06 0.00 1.68 3.08 -1.98 -1.35 114.38 115.95 2pnl h ARG 615 Ca -0.49 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2pnl h ARG 615 Cb 1.32 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2pnl h ARG 615 CO 0.51 0.04 0.00 0.27 -1.07 0.00 0.00 179.97 179.72 2pnl n ASN 616 N -5.41 0.00 0.00 7.04 0.23 -1.26 -4.92 115.26 110.94 2pnl n ASN 616 Ca 0.21 -0.41 0.00 0.00 -0.53 0.00 0.00 54.58 53.85 2pnl n ASN 616 Cb 0.70 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 2pnl n ASN 616 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pnl n GLY 617 N 0.48 1.90 3.65 4.83 0.00 -0.51 -4.98 105.19 110.57 2pnl n GLY 617 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2pnl n GLY 617 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pnl n ASN 618 N 0.00 0.59 -4.34 1.61 4.13 -1.26 -4.12 115.26 111.87 2pnl n ASN 618 Ca 0.00 0.58 -0.29 0.00 1.68 0.00 0.00 54.58 56.55 2pnl n ASN 618 Cb 0.00 -1.45 -0.14 0.00 -1.54 0.00 0.00 39.78 36.64 2pnl n ASN 618 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2pnl s ILE 619 N -2.08 2.08 -0.19 2.41 -4.36 -0.18 -0.47 121.20 118.41 2pnl s ILE 619 Ca 0.72 -1.44 -0.02 0.00 -0.26 0.00 0.00 60.65 59.65 2pnl s ILE 619 Cb -0.30 -1.80 -0.00 0.00 1.25 0.00 0.00 42.46 41.61 2pnl s ILE 619 CO 0.52 0.27 -0.10 -0.69 0.24 0.00 0.00 174.94 175.18 2pnl s VAL 620 N -0.87 2.94 0.28 8.37 1.01 -0.05 0.11 120.40 132.19 2pnl s VAL 620 Ca 0.11 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.55 2pnl s VAL 620 Cb -0.10 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 2pnl s VAL 620 CO 0.03 0.47 -0.07 0.68 0.00 0.00 0.00 175.10 176.21 2pnl s VAL 621 N 1.21 2.99 0.23 2.92 -7.23 -0.29 0.58 120.40 120.82 2pnl s VAL 621 Ca 0.02 -2.10 -0.11 0.00 -1.81 0.00 0.00 61.98 57.98 2pnl s VAL 621 Cb -0.14 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 2pnl s VAL 621 CO -0.04 -0.36 0.42 -1.83 -0.31 0.00 0.00 175.10 172.98 2pnl s GLU 622 N -3.62 1.47 0.15 4.82 -1.05 -1.16 -0.29 118.70 119.01 2pnl s GLU 622 Ca 0.31 -1.27 -0.16 0.00 -0.15 0.00 0.00 54.97 53.70 2pnl s GLU 622 Cb -0.05 0.44 -0.07 0.00 -0.44 0.00 0.00 34.13 34.01 2pnl s GLU 622 CO 0.18 -0.59 0.59 0.15 0.95 0.00 0.00 175.26 176.54 2pnl s LYS 623 N -4.02 4.07 0.01 -4.83 1.02 0.83 -4.35 119.74 112.47 2pnl s LYS 623 Ca 0.23 0.61 0.04 0.00 0.02 0.00 0.00 55.97 56.87 2pnl s LYS 623 Cb 0.01 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.33 2pnl s LYS 623 CO 0.08 0.49 -0.11 0.96 -0.92 0.00 0.00 175.35 175.85 2pnl s ILE 624 N -1.41 0.89 -0.61 2.17 -4.36 -1.26 -0.98 121.20 115.64 2pnl s ILE 624 Ca 0.37 -0.70 -0.23 0.00 -0.26 0.00 0.00 60.65 59.84 2pnl s ILE 624 Cb -0.16 -0.78 0.06 0.00 1.25 0.00 0.00 42.46 42.83 2pnl s ILE 624 CO 0.19 0.09 0.91 0.12 0.24 0.00 0.00 174.94 176.50 2pnl s PHE 625 N -0.56 2.76 -0.05 1.37 5.36 -1.26 -4.58 117.98 121.02 2pnl s PHE 625 Ca 0.02 -0.40 -0.31 0.00 -0.96 0.00 0.00 56.93 55.28 2pnl s PHE 625 Cb -0.06 -4.14 0.12 0.00 -0.34 0.00 0.00 43.02 38.60 2pnl s PHE 625 CO 0.00 -1.48 1.17 0.00 -1.46 0.00 0.00 175.22 173.45 2pnl s ALA 626 N 3.83 -2.05 1.08 11.12 0.00 -1.26 -5.10 121.76 129.38 2pnl s ALA 626 Ca 0.23 0.94 -0.18 0.00 0.00 0.00 0.00 51.96 52.95 2pnl s ALA 626 Cb -0.16 0.25 0.25 0.00 0.00 0.00 0.00 23.12 23.46 2pnl s ALA 626 CO 0.13 -0.86 1.27 0.20 0.00 0.00 0.00 175.76 176.49 2pnl s GLY 627 N -2.66 1.74 0.78 0.00 0.00 -1.26 -4.12 107.32 101.80 2pnl s GLY 627 Ca 0.11 -1.22 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 2pnl s GLY 627 CO -0.04 -0.36 1.09 -4.14 0.00 0.00 0.00 173.10 169.65 2pnl s PRO 628 N -5.79 2.22 0.77 2.90 0.02 -1.23 -4.75 135.00 129.14 2pnl s PRO 628 Ca 0.75 1.04 -0.13 0.00 0.02 0.00 0.00 61.00 62.68 2pnl s PRO 628 Cb -0.04 -1.90 0.06 0.00 0.02 0.00 0.00 34.50 32.63 2pnl s PRO 628 CO 0.54 -1.63 1.14 0.42 -0.33 0.00 0.00 177.00 177.14 2pnl s ILE 629 N -2.95 2.74 0.22 2.83 1.01 -0.02 -4.61 121.20 120.42 2pnl s ILE 629 Ca 0.61 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.55 2pnl s ILE 629 Cb -0.16 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.60 2pnl s ILE 629 CO 0.56 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.85 2pnl n GLY 631 N -0.29 -1.65 0.02 6.18 0.00 -1.26 -0.07 105.19 108.12 2pnl n GLY 631 Ca 0.11 -1.13 0.11 0.00 0.00 0.00 0.00 46.02 45.11 2pnl n GLY 631 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pnl n PRO 632 N -3.36 0.04 0.30 1.61 -0.04 -1.26 -4.62 135.00 127.67 2pnl n PRO 632 Ca 0.01 -0.03 0.18 0.00 -0.04 0.00 0.00 63.50 63.61 2pnl n PRO 632 Cb 0.43 -1.50 0.98 0.00 -0.04 0.00 0.00 33.50 33.36 2pnl n PRO 632 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pnl h SER 633 N 0.07 0.00 0.27 3.54 4.64 -1.95 -2.30 113.55 117.82 2pnl h SER 633 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pnl h SER 633 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2pnl h SER 633 CO 0.00 0.03 -0.21 0.00 -0.87 0.00 0.00 176.83 175.78 2pnl n ALA 634 N -2.21 2.97 -0.10 5.18 0.00 -1.26 -1.06 120.51 124.03 2pnl n ALA 634 Ca -0.02 -0.36 -0.12 0.00 0.00 0.00 0.00 53.44 52.93 2pnl n ALA 634 Cb 0.13 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 2pnl n ALA 634 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2pnl h GLN 635 N 1.04 0.57 -0.06 0.00 4.20 -1.38 -1.13 115.11 118.36 2pnl h GLN 635 Ca 0.00 -0.22 0.04 0.00 0.06 0.00 0.00 58.65 58.52 2pnl h GLN 635 Cb 0.46 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 2pnl h GLN 635 CO 0.00 0.77 -0.43 1.25 -0.67 0.00 0.00 178.83 179.75 2pnl h LEU 636 N 0.33 -1.33 -0.63 1.46 5.85 -0.92 0.15 115.31 120.22 2pnl h LEU 636 Ca 0.07 0.17 0.08 0.00 0.84 0.00 0.00 57.88 59.04 2pnl h LEU 636 Cb 0.56 0.53 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 2pnl h LEU 636 CO 0.03 -0.45 0.29 1.23 -0.34 0.00 0.00 178.44 179.20 2pnl h GLY 637 N -0.55 0.91 1.31 3.75 0.00 -1.77 -1.68 103.07 105.05 2pnl h GLY 637 Ca 0.06 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 2pnl h GLY 637 CO -0.36 0.05 0.10 1.41 0.00 0.00 0.00 176.54 177.74 2pnl h LEU 638 N 0.52 0.80 -0.57 3.11 3.38 -0.68 0.14 115.31 122.01 2pnl h LEU 638 Ca 0.31 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 2pnl h LEU 638 Cb 0.31 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2pnl h LEU 638 CO -0.25 0.81 -0.03 -1.28 0.09 0.00 0.00 178.44 177.78 2pnl h SER 639 N 0.81 1.01 -0.10 -0.43 0.87 -0.42 -2.42 113.55 112.88 2pnl h SER 639 Ca 0.17 -0.32 -0.20 0.00 -1.23 0.00 0.00 61.79 60.22 2pnl h SER 639 Cb 0.35 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2pnl h SER 639 CO 0.01 1.08 -0.67 -0.07 -0.53 0.00 0.00 176.83 176.65 2pnl h LEU 640 N 0.91 0.83 -1.22 2.23 3.38 -1.06 -2.28 115.31 118.10 2pnl h LEU 640 Ca 0.16 -0.50 0.07 0.00 0.09 0.00 0.00 57.88 57.70 2pnl h LEU 640 Cb 0.58 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 2pnl h LEU 640 CO 0.03 1.28 0.56 0.25 0.09 0.00 0.00 178.44 180.65 2pnl h LEU 641 N 0.52 0.82 0.00 1.67 5.85 -0.65 0.46 115.31 123.98 2pnl h LEU 641 Ca -0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2pnl h LEU 641 Cb 1.27 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2pnl h LEU 641 CO 0.13 0.52 -1.39 1.33 -0.34 0.00 0.00 178.44 178.69 2pnl n VAL 642 N -4.50 0.09 -0.03 1.05 0.24 -0.92 -4.07 118.33 110.19 2pnl n VAL 642 Ca 0.13 -0.30 -0.04 0.00 -2.04 0.00 0.00 64.34 62.09 2pnl n VAL 642 Cb 0.23 0.28 -0.05 0.00 -1.47 0.00 0.00 33.84 32.84 2pnl n VAL 642 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2pnl n ASN 643 N -2.01 3.45 -0.01 -1.34 5.03 -0.86 -4.45 115.26 115.07 2pnl n ASN 643 Ca 0.00 -0.01 -0.01 0.00 0.87 0.00 0.00 54.58 55.43 2pnl n ASN 643 Cb 0.47 0.42 -0.01 0.00 -1.02 0.00 0.00 39.78 39.65 2pnl n ASN 643 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2pnl n ASP 644 N -2.38 4.02 -4.70 6.41 8.00 0.07 -5.02 116.55 122.97 2pnl n ASP 644 Ca -0.11 -0.01 -0.41 0.00 0.71 0.00 0.00 54.79 54.97 2pnl n ASP 644 Cb 0.69 0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.80 2pnl n ASP 644 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pnl s ILE 645 N -2.02 4.92 0.00 0.53 1.01 0.14 -4.91 121.20 120.87 2pnl s ILE 645 Ca -0.01 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.35 2pnl s ILE 645 Cb 0.00 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2pnl s ILE 645 CO 0.03 0.13 0.00 -0.62 0.00 0.00 0.00 174.94 174.48 2pnl n GLU 646 N 4.40 1.25 -4.07 2.79 -0.58 -1.26 -4.75 120.64 118.42 2pnl n GLU 646 Ca 0.03 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.55 2pnl n GLU 646 Cb 0.50 -0.92 -0.17 0.00 -0.57 0.00 0.00 31.44 30.29 2pnl n GLU 646 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2pnl s ASP 647 N -3.39 1.37 0.00 1.62 1.01 -1.26 -4.64 116.67 111.38 2pnl s ASP 647 Ca 0.00 -0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.10 2pnl s ASP 647 Cb 0.00 -0.54 0.00 0.00 1.01 0.00 0.00 42.92 43.39 2pnl s ASP 647 CO 0.00 -0.09 0.00 0.61 0.21 0.00 0.00 175.17 175.90 2pnl n GLY 648 N 4.42 -2.27 3.11 0.21 0.00 0.84 -4.86 105.19 106.64 2pnl n GLY 648 Ca -0.18 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 2pnl n GLY 648 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pnl s VAL 649 N -0.80 2.14 0.20 1.61 1.01 -1.26 -2.58 120.40 120.73 2pnl s VAL 649 Ca 0.00 -1.10 -0.33 0.00 0.00 0.00 0.00 61.98 60.56 2pnl s VAL 649 Cb 0.00 -1.99 -0.14 0.00 0.00 0.00 0.00 36.38 34.25 2pnl s VAL 649 CO 0.00 0.39 1.45 -2.65 0.00 0.00 0.00 175.10 174.30 2pnl n PRO 650 N 4.58 1.98 -2.84 2.72 -0.02 -1.26 -5.00 135.00 135.16 2pnl n PRO 650 Ca -0.19 0.71 -0.44 0.00 -2.02 0.00 0.00 63.50 61.56 2pnl n PRO 650 Cb 0.48 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2pnl n PRO 650 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pnl n ARG 651 N 2.55 3.33 -3.75 -0.52 5.12 -1.26 -4.72 116.66 117.40 2pnl n ARG 651 Ca 0.14 -3.70 -0.23 0.00 -1.93 0.00 0.00 57.85 52.13 2pnl n ARG 651 Cb 0.29 -3.16 -0.17 0.00 -1.16 0.00 0.00 32.46 28.26 2pnl n ARG 651 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2pnl s VAL 653 N 2.25 0.33 -0.17 1.55 1.01 0.56 -4.48 120.40 121.44 2pnl s VAL 653 Ca 0.46 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.38 2pnl s VAL 653 Cb -0.01 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 2pnl s VAL 653 CO 0.02 0.19 0.27 -0.36 0.00 0.00 0.00 175.10 175.22 2pnl s PHE 654 N 1.99 3.44 -0.03 5.22 0.08 -0.46 0.53 117.98 128.75 2pnl s PHE 654 Ca 0.04 0.55 0.03 0.00 0.12 0.00 0.00 56.93 57.67 2pnl s PHE 654 Cb -0.13 -2.32 0.00 0.00 -0.57 0.00 0.00 43.02 40.00 2pnl s PHE 654 CO -0.05 0.23 -0.09 -0.08 -0.10 0.00 0.00 175.22 175.12 2pnl s THR 655 N 0.51 0.82 0.00 0.64 -1.32 -0.12 -4.27 115.64 111.91 2pnl s THR 655 Ca 0.15 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 2pnl s THR 655 Cb -0.13 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 2pnl s THR 655 CO 0.03 0.25 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 2pnl n GLY 656 N 3.26 4.23 3.80 6.08 0.00 -0.23 -4.40 105.19 117.92 2pnl n GLY 656 Ca -0.18 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 2pnl n GLY 656 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pnl s GLU 657 N -2.73 4.22 -0.25 1.61 2.12 -0.86 -0.37 118.70 122.44 2pnl s GLU 657 Ca 0.00 0.70 -0.09 0.00 0.36 0.00 0.00 54.97 55.94 2pnl s GLU 657 Cb 0.00 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 2pnl s GLU 657 CO 0.00 0.55 0.13 0.42 -0.54 0.00 0.00 175.26 175.82 2pnl s ILE 658 N -0.78 4.97 1.13 -3.70 -1.09 -1.26 0.16 121.20 120.63 2pnl s ILE 658 Ca 0.29 0.05 -0.15 0.00 -2.23 0.00 0.00 60.65 58.61 2pnl s ILE 658 Cb -0.19 -3.33 0.26 0.00 -1.58 0.00 0.00 42.46 37.62 2pnl s ILE 658 CO 0.18 0.32 1.07 0.00 -1.23 0.00 0.00 174.94 175.28 2pnl s ALA 659 N 1.41 0.38 -1.68 9.38 0.00 -0.83 -4.88 121.76 125.54 2pnl s ALA 659 Ca 0.06 -0.55 0.27 0.00 0.00 0.00 0.00 51.96 51.74 2pnl s ALA 659 Cb -0.15 -3.05 1.47 0.00 0.00 0.00 0.00 23.12 21.39 2pnl s ALA 659 CO 0.06 -3.44 1.94 -0.40 0.00 0.00 0.00 175.76 173.92 2pnl n ASP 660 N -4.64 0.00 0.16 0.00 5.68 -1.26 -1.07 116.55 115.42 2pnl n ASP 660 Ca 0.07 -0.43 0.13 0.00 -0.50 0.00 0.00 54.79 54.06 2pnl n ASP 660 Cb 0.58 -0.16 0.39 0.00 -1.14 0.00 0.00 41.12 40.79 2pnl n ASP 660 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2pnl h ASP 661 N 0.00 0.00 -1.44 -1.12 3.04 -1.93 -3.47 116.42 111.51 2pnl h ASP 661 Ca 0.00 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.54 2pnl h ASP 661 Cb 0.14 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.39 2pnl h ASP 661 CO 0.00 0.00 -0.29 -0.62 -2.04 0.00 0.00 179.24 176.29 2pnl n GLU 662 N -2.58 -0.94 0.00 4.15 1.02 -0.24 -4.79 120.64 117.26 2pnl n GLU 662 Ca 0.04 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 2pnl n GLU 662 Cb 0.40 -4.82 0.00 0.00 -0.02 0.00 0.00 31.44 27.00 2pnl n GLU 662 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2pnl n GLU 663 N -2.30 0.00 -2.15 3.49 1.02 -1.26 -4.81 120.64 114.63 2pnl n GLU 663 Ca -0.14 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.59 2pnl n GLU 663 Cb 0.56 -0.28 -0.03 0.00 -0.02 0.00 0.00 31.44 31.67 2pnl n GLU 663 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2pnl s THR 664 N -1.65 2.96 -0.23 2.62 2.01 -1.26 -2.02 115.64 118.06 2pnl s THR 664 Ca 0.00 0.84 -0.06 0.00 0.31 0.00 0.00 61.69 62.78 2pnl s THR 664 Cb 0.00 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 2pnl s THR 664 CO 0.00 0.15 0.02 -0.63 -0.69 0.00 0.00 174.62 173.48 2pnl s ILE 665 N -0.32 4.00 -0.22 1.82 1.01 -1.26 -1.96 121.20 124.27 2pnl s ILE 665 Ca 0.55 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.79 2pnl s ILE 665 Cb -0.38 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 2pnl s ILE 665 CO 0.44 0.38 0.24 -0.63 0.00 0.00 0.00 174.94 175.37 2pnl s ILE 666 N 1.40 5.31 0.84 2.92 1.01 0.41 -4.88 121.20 128.21 2pnl s ILE 666 Ca 0.05 0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.93 2pnl s ILE 666 Cb -0.15 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.75 2pnl s ILE 666 CO 0.01 0.33 0.55 -2.65 0.00 0.00 0.00 174.94 173.18 2pnl n PRO 667 N 4.23 0.03 -4.46 2.79 -0.02 -1.26 -2.03 135.00 134.27 2pnl n PRO 667 Ca -0.13 0.06 -0.22 0.00 -2.02 0.00 0.00 63.50 61.19 2pnl n PRO 667 Cb 0.52 -1.91 -0.11 0.00 -0.02 0.00 0.00 33.50 31.98 2pnl n PRO 667 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2pnl s ILE 668 N -2.15 1.37 0.19 4.25 -5.25 -1.26 -4.71 121.20 113.64 2pnl s ILE 668 Ca 0.62 -2.02 -0.17 0.00 -0.99 0.00 0.00 60.65 58.10 2pnl s ILE 668 Cb -0.28 -2.75 -0.08 0.00 2.95 0.00 0.00 42.46 42.31 2pnl s ILE 668 CO 0.61 -0.06 0.63 0.00 -1.79 0.00 0.00 174.94 174.34 2pnl n GLY 670 N 0.70 0.96 0.20 0.00 0.00 -1.26 -4.98 105.19 100.82 2pnl n GLY 670 Ca -0.04 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 2pnl n GLY 670 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2pnl h VAL 671 N 0.00 1.33 -0.15 1.61 3.04 -1.94 -1.82 116.25 118.32 2pnl h VAL 671 Ca 0.00 -1.85 -0.11 0.00 -1.01 0.00 0.00 66.70 63.73 2pnl h VAL 671 Cb 0.67 1.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.78 2pnl h VAL 671 CO 0.00 0.57 -0.38 0.44 -1.01 0.00 0.00 177.57 177.19 2pnl h ASP 672 N 0.38 0.33 -0.23 3.17 3.32 -1.92 -0.94 116.42 120.54 2pnl h ASP 672 Ca 0.00 -0.13 -0.19 0.00 0.02 0.00 0.00 57.03 56.73 2pnl h ASP 672 Cb 1.12 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2pnl h ASP 672 CO 0.11 0.69 -0.59 0.40 -1.72 0.00 0.00 179.24 178.12 2pnl h ILE 673 N 0.27 1.29 -0.82 0.35 1.08 -1.82 -2.24 117.51 115.63 2pnl h ILE 673 Ca 0.03 -1.79 0.00 0.00 -0.39 0.00 0.00 64.86 62.71 2pnl h ILE 673 Cb 0.79 1.80 -0.04 0.00 -3.07 0.00 0.00 36.82 36.30 2pnl h ILE 673 CO 0.06 0.57 0.51 0.00 -0.69 0.00 0.00 178.15 178.61 2pnl h ALA 674 N 0.62 1.04 -0.48 1.87 0.00 -1.18 -2.66 119.26 118.47 2pnl h ALA 674 Ca -0.01 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2pnl h ALA 674 Cb 1.21 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2pnl h ALA 674 CO 0.13 0.48 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 2pnl h ALA 675 N 1.28 0.65 -0.52 0.00 0.00 -1.07 -1.37 119.26 118.23 2pnl h ALA 675 Ca 0.30 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2pnl h ALA 675 Cb -0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 2pnl h ALA 675 CO -0.06 0.55 0.26 0.82 0.00 0.00 0.00 179.25 180.82 2pnl h ILE 676 N 0.76 0.95 -0.38 0.00 2.04 -1.33 -0.60 117.51 118.95 2pnl h ILE 676 Ca 0.12 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2pnl h ILE 676 Cb 0.65 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2pnl h ILE 676 CO 0.04 0.09 0.19 0.00 0.00 0.00 0.00 178.15 178.47 2pnl h ALA 677 N 1.28 0.48 -0.12 1.87 0.00 -1.14 -1.16 119.26 120.48 2pnl h ALA 677 Ca 0.23 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2pnl h ALA 677 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2pnl h ALA 677 CO -0.16 0.04 0.02 0.00 0.00 0.00 0.00 179.25 179.14 2pnl h ALA 678 N 1.04 0.11 0.00 0.00 0.00 -0.96 -3.18 119.26 116.27 2pnl h ALA 678 Ca 0.13 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2pnl h ALA 678 Cb 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2pnl h ALA 678 CO -0.02 -0.44 -0.43 0.45 0.00 0.00 0.00 179.25 178.81 2pnl h HIS 679 N 0.06 0.00 0.00 0.00 -0.00 -0.92 -0.22 115.15 114.07 2pnl h HIS 679 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2pnl h HIS 679 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 2pnl h HIS 679 CO -0.12 0.43 0.00 0.93 -0.00 0.00 0.00 177.93 179.17 2pnl h GLU 680 N 0.00 0.00 -0.61 2.45 5.08 -1.23 -2.30 114.58 117.98 2pnl h GLU 680 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pnl h GLU 680 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2pnl h GLU 680 CO 0.06 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.11 2pnl n GLN 681 N -2.35 2.85 -1.98 2.33 6.02 -0.33 -4.98 117.38 118.95 2pnl n GLN 681 Ca 0.02 -2.50 -0.07 0.00 -0.01 0.00 0.00 57.00 54.44 2pnl n GLN 681 Cb 0.25 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 2pnl n GLN 681 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pnl n GLY 682 N 1.24 0.22 3.33 1.08 0.00 -0.86 -4.98 105.19 105.21 2pnl n GLY 682 Ca 0.21 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 2pnl n GLY 682 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pnl s LEU 683 N -1.93 2.17 0.33 0.99 1.43 -0.24 -4.98 118.68 116.45 2pnl s LEU 683 Ca 0.00 -0.58 -0.26 0.00 -1.03 0.00 0.00 54.13 52.25 2pnl s LEU 683 Cb 0.00 -1.24 -0.09 0.00 0.03 0.00 0.00 46.19 44.88 2pnl s LEU 683 CO 0.00 0.24 1.02 -2.16 0.23 0.00 0.00 176.35 175.68 2pnl s PRO 684 N -1.24 4.47 0.02 1.29 0.04 -1.26 -3.34 135.00 134.98 2pnl s PRO 684 Ca 0.11 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.39 2pnl s PRO 684 Cb -0.10 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 2pnl s PRO 684 CO 0.02 0.13 0.90 -1.17 0.04 0.00 0.00 177.00 176.92 2pnl s LEU 685 N -2.04 4.40 -0.09 -3.56 2.96 -1.26 -0.33 118.68 118.77 2pnl s LEU 685 Ca 0.51 1.57 0.03 0.00 -0.22 0.00 0.00 54.13 56.02 2pnl s LEU 685 Cb -0.24 -3.44 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 2pnl s LEU 685 CO 0.30 -0.15 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.36 2pnl s ILE 686 N 0.61 2.62 0.00 6.68 -1.09 0.19 -0.73 121.20 129.47 2pnl s ILE 686 Ca 0.46 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 58.04 2pnl s ILE 686 Cb -0.21 -2.03 0.00 0.00 -1.58 0.00 0.00 42.46 38.64 2pnl s ILE 686 CO 0.26 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 175.14 2pnl n GLY 687 N 3.07 0.60 2.71 6.18 0.00 -1.12 -0.94 105.19 115.69 2pnl n GLY 687 Ca -0.18 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.87 2pnl n GLY 687 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pnl n ASN 688 N -0.03 3.59 -3.55 1.61 4.05 -1.26 -1.57 115.26 118.09 2pnl n ASN 688 Ca 0.00 -3.50 -0.07 0.00 0.45 0.00 0.00 54.58 51.45 2pnl n ASN 688 Cb 0.00 -0.56 -0.03 0.00 1.23 0.00 0.00 39.78 40.42 2pnl n ASN 688 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pnl s GLN 689 N -3.24 0.59 0.31 1.20 -2.07 -1.26 -4.59 119.66 110.59 2pnl s GLN 689 Ca 0.46 -0.14 -0.28 0.00 -1.82 0.00 0.00 55.36 53.57 2pnl s GLN 689 Cb 0.32 0.27 -0.13 0.00 -1.09 0.00 0.00 33.01 32.37 2pnl s GLN 689 CO -0.13 -0.24 1.16 -2.30 -1.32 0.00 0.00 175.29 172.47 2pnl n PRO 690 N 0.02 1.75 0.00 9.60 -0.02 -1.26 -3.22 135.00 141.87 2pnl n PRO 690 Ca -0.06 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2pnl n PRO 690 Cb 0.60 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2pnl n PRO 690 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pnl n GLY 691 N 1.06 1.47 3.91 -1.23 0.00 -1.26 -4.95 105.19 104.19 2pnl n GLY 691 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2pnl n GLY 691 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pnl s VAL 692 N -2.36 3.53 -0.07 1.61 -7.23 -1.20 -4.78 120.40 109.90 2pnl s VAL 692 Ca 0.00 0.09 -0.15 0.00 -1.81 0.00 0.00 61.98 60.11 2pnl s VAL 692 Cb 0.00 -3.43 -0.29 0.00 0.56 0.00 0.00 36.38 33.22 2pnl s VAL 692 CO 0.00 -0.47 0.66 0.44 -0.31 0.00 0.00 175.10 175.42 2pnl h ASP 693 N -0.31 0.50 -3.30 4.85 3.32 -1.29 -3.45 116.42 116.73 2pnl h ASP 693 Ca -0.45 -0.90 -0.59 0.00 0.02 0.00 0.00 57.03 55.11 2pnl h ASP 693 Cb 1.26 -0.16 -0.34 0.00 0.22 0.00 0.00 39.33 40.31 2pnl h ASP 693 CO 0.61 1.65 -0.84 -1.61 -1.72 0.00 0.00 179.24 177.33 2pnl s GLU 694 N -2.51 2.26 -0.12 3.56 2.02 -0.88 -5.02 118.70 118.01 2pnl s GLU 694 Ca -0.17 -0.59 -0.13 0.00 0.02 0.00 0.00 54.97 54.10 2pnl s GLU 694 Cb 0.04 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.35 2pnl s GLU 694 CO 0.81 -0.01 0.30 -1.21 0.02 0.00 0.00 175.26 175.17 2pnl s GLU 695 N 0.83 4.09 -0.15 1.61 2.02 -1.26 -2.78 118.70 123.06 2pnl s GLU 695 Ca -0.10 0.14 0.01 0.00 0.02 0.00 0.00 54.97 55.04 2pnl s GLU 695 Cb -0.16 -3.36 0.02 0.00 0.10 0.00 0.00 34.13 30.74 2pnl s GLU 695 CO 0.01 0.39 -0.18 0.14 0.02 0.00 0.00 175.26 175.64 2pnl s VAL 696 N -0.01 1.81 0.26 2.63 -7.23 -0.61 -4.97 120.40 112.28 2pnl s VAL 696 Ca 0.18 -0.80 0.14 0.00 -1.81 0.00 0.00 61.98 59.70 2pnl s VAL 696 Cb -0.14 -1.65 0.06 0.00 0.56 0.00 0.00 36.38 35.21 2pnl s VAL 696 CO 0.06 0.50 1.70 -0.09 -0.31 0.00 0.00 175.10 176.96 2pnl h ARG 697 N 7.80 0.00 -3.49 4.82 9.65 -1.95 -3.35 114.38 127.87 2pnl h ARG 697 Ca -0.39 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.41 2pnl h ARG 697 Cb 1.15 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.67 2pnl h ARG 697 CO 0.57 0.48 0.02 0.54 2.80 0.00 0.00 179.97 184.37 2pnl s ASN 698 N -6.69 0.15 0.41 -3.80 2.20 -1.26 -4.30 114.94 101.65 2pnl s ASN 698 Ca -0.01 -1.07 0.17 0.00 -0.94 0.00 0.00 52.86 51.01 2pnl s ASN 698 Cb 0.12 0.70 0.90 0.00 -2.00 0.00 0.00 41.25 40.97 2pnl s ASN 698 CO 0.72 -1.35 1.88 0.71 -2.94 0.00 0.00 177.10 176.12 2pnl h THR 699 N 2.11 1.05 0.16 0.54 1.35 -1.72 -2.11 112.91 114.29 2pnl h THR 699 Ca -0.27 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 2pnl h THR 699 Cb 1.25 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 2pnl h THR 699 CO 0.35 0.29 -0.14 -1.28 -0.25 0.00 0.00 175.52 174.49 2pnl h SER 700 N 0.00 -0.38 -0.41 5.36 0.87 -1.92 0.29 113.55 117.36 2pnl h SER 700 Ca -0.00 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2pnl h SER 700 Cb 0.58 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 2pnl h SER 700 CO 0.04 -0.22 0.27 -0.07 -0.53 0.00 0.00 176.83 176.32 2pnl h LEU 701 N -0.32 0.46 -0.46 2.23 3.38 -1.85 -2.51 115.31 116.24 2pnl h LEU 701 Ca -0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2pnl h LEU 701 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2pnl h LEU 701 CO -0.03 0.33 -0.16 0.00 0.09 0.00 0.00 178.44 178.67 2pnl h ALA 702 N 1.75 0.63 -0.64 1.53 0.00 -0.96 -1.31 119.26 120.27 2pnl h ALA 702 Ca 0.15 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2pnl h ALA 702 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2pnl h ALA 702 CO -0.03 0.58 0.11 0.00 0.00 0.00 0.00 179.25 179.90 2pnl h ALA 703 N 0.86 1.00 -0.42 0.00 0.00 -0.70 -1.87 119.26 118.13 2pnl h ALA 703 Ca 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2pnl h ALA 703 Cb 0.72 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2pnl h ALA 703 CO 0.06 0.64 0.17 1.25 0.00 0.00 0.00 179.25 181.36 2pnl h HIS 704 N 0.97 0.64 -0.39 0.00 6.17 -1.36 -1.77 115.15 119.41 2pnl h HIS 704 Ca 0.20 -0.05 0.03 0.00 0.71 0.00 0.00 60.37 61.26 2pnl h HIS 704 Cb 0.41 -0.19 -0.03 0.00 2.52 0.00 0.00 27.41 30.11 2pnl h HIS 704 CO 0.03 0.56 0.19 1.25 0.71 0.00 0.00 177.93 180.67 2pnl h LEU 705 N 0.53 0.28 -0.74 0.26 5.85 -1.06 0.36 115.31 120.80 2pnl h LEU 705 Ca 0.14 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.00 2pnl h LEU 705 Cb 0.19 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 2pnl h LEU 705 CO -0.01 0.21 0.34 0.40 -0.34 0.00 0.00 178.44 179.03 2pnl h ILE 706 N 0.40 0.76 -0.58 4.05 2.04 -1.15 -0.22 117.51 122.80 2pnl h ILE 706 Ca 0.17 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 2pnl h ILE 706 Cb 0.08 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2pnl h ILE 706 CO -0.12 0.10 0.17 1.56 0.00 0.00 0.00 178.15 179.85 2pnl h GLN 707 N 0.53 0.91 0.00 2.37 4.20 -0.40 -3.02 115.11 119.70 2pnl h GLN 707 Ca 0.38 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.78 2pnl h GLN 707 Cb 0.50 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 2pnl h GLN 707 CO -0.33 0.83 -0.52 1.79 -0.67 0.00 0.00 178.83 179.92 2pnl h THR 708 N 0.82 1.03 0.00 -0.54 1.35 -0.79 -3.47 112.91 111.30 2pnl h THR 708 Ca 0.18 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 2pnl h THR 708 Cb 0.31 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2pnl h THR 708 CO -0.00 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 2pnl n GLY 709 N 0.72 2.23 3.23 5.82 0.00 -0.11 -4.93 105.19 112.15 2pnl n GLY 709 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 2pnl n GLY 709 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pnl s THR 710 N -0.28 0.45 0.04 2.61 -4.23 -1.26 -4.88 115.64 108.09 2pnl s THR 710 Ca 0.00 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.24 2pnl s THR 710 Cb 0.00 -2.24 -0.05 0.00 1.34 0.00 0.00 72.50 71.54 2pnl s THR 710 CO 0.00 -0.33 1.24 -0.22 -0.54 0.00 0.00 174.62 174.77 2pnl s LEU 711 N -3.17 4.35 0.52 4.79 2.96 -1.26 -4.94 118.68 121.92 2pnl s LEU 711 Ca 0.28 2.02 -0.21 0.00 -0.22 0.00 0.00 54.13 56.00 2pnl s LEU 711 Cb 0.07 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.11 2pnl s LEU 711 CO 0.06 -0.54 0.95 -2.65 -1.32 0.00 0.00 176.35 172.85 2pnl n PRO 712 N 4.36 1.08 -4.40 0.98 -0.02 -1.26 -5.00 135.00 130.74 2pnl n PRO 712 Ca 0.10 0.40 -0.34 0.00 -2.02 0.00 0.00 63.50 61.64 2pnl n PRO 712 Cb 0.46 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 2pnl n PRO 712 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pnl s VAL 713 N -1.43 4.14 -0.19 -1.45 1.01 -1.26 -5.10 120.40 116.12 2pnl s VAL 713 Ca 0.69 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 2pnl s VAL 713 Cb -0.48 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 2pnl s VAL 713 CO 0.52 0.57 -0.06 -1.10 0.00 0.00 0.00 175.10 175.03 2pnl s GLN 714 N -0.49 3.45 -0.11 2.72 -0.21 -1.26 -5.10 119.66 118.65 2pnl s GLN 714 Ca 0.08 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.85 2pnl s GLN 714 Cb -0.12 -2.93 0.02 0.00 1.00 0.00 0.00 33.01 30.99 2pnl s GLN 714 CO 0.02 -0.03 -0.10 0.50 -2.12 0.00 0.00 175.29 173.56 2pnl s ARG 715 N 1.04 1.72 0.00 2.91 3.52 -1.26 -5.35 118.95 121.53 2pnl s ARG 715 Ca 0.01 -0.35 0.15 0.00 -0.13 0.00 0.00 55.73 55.41 2pnl s ARG 715 Cb -0.15 -1.65 0.12 0.00 -1.56 0.00 0.00 34.95 31.71 2pnl s ARG 715 CO -0.00 -0.20 0.98 0.00 -0.81 0.00 0.00 175.30 175.27