#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 3.84 0.04 1.61 2.20 -0.82 -4.66 119.74 121.94 2pnl s LYS 515 Ca 0.00 -0.08 -0.35 0.00 -0.36 0.00 0.00 55.97 55.18 2pnl s LYS 515 Cb 0.00 -3.30 -0.14 0.00 -1.51 0.00 0.00 37.83 32.88 2pnl s LYS 515 CO 0.00 0.54 1.65 0.34 -0.36 0.00 0.00 175.35 177.52 2pnl n PHE 516 N 2.68 2.16 -3.89 4.03 -0.00 -1.26 -1.47 117.46 119.72 2pnl n PHE 516 Ca -0.17 0.26 -0.30 0.00 -0.00 0.00 0.00 57.45 57.24 2pnl n PHE 516 Cb 0.53 -2.54 -0.15 0.00 -0.00 0.00 0.00 39.48 37.32 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 2.05 3.92 0.26 -2.13 0.15 0.46 -4.80 113.70 113.60 2pnl s SER 517 Ca 0.86 -1.37 -0.04 0.00 0.70 0.00 0.00 55.95 56.10 2pnl s SER 517 Cb -0.76 -1.12 0.33 0.00 -1.71 0.00 0.00 66.02 62.76 2pnl s SER 517 CO 0.46 -0.30 1.86 -0.09 1.20 0.00 0.00 173.24 176.37 2pnl h ARG 518 N 7.96 1.06 0.14 5.44 9.65 -1.92 -1.62 114.38 135.09 2pnl h ARG 518 Ca -0.15 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.57 2pnl h ARG 518 Cb 1.06 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.45 2pnl h ARG 518 CO 0.43 0.82 -0.07 0.00 2.80 0.00 0.00 179.97 183.95 2pnl h ALA 519 N 1.33 -0.19 -0.33 2.80 0.00 -1.98 -0.74 119.26 120.16 2pnl h ALA 519 Ca 0.26 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2pnl h ALA 519 Cb 0.12 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 2pnl h ALA 519 CO -0.03 -0.50 -0.12 1.25 0.00 0.00 0.00 179.25 179.85 2pnl h LEU 520 N -0.40 -0.42 -0.36 0.00 5.85 -1.93 -0.81 115.31 117.24 2pnl h LEU 520 Ca -0.02 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.88 2pnl h LEU 520 Cb 0.32 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.51 2pnl h LEU 520 CO 0.03 -0.15 -0.41 0.50 -0.34 0.00 0.00 178.44 178.07 2pnl h LYS 521 N -0.05 -0.33 -0.65 1.25 3.64 -1.16 -0.46 116.57 118.81 2pnl h LYS 521 Ca 0.16 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 2pnl h LYS 521 Cb 0.30 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 2pnl h LYS 521 CO -0.37 -0.22 0.14 -0.91 -2.27 0.00 0.00 179.45 175.83 2pnl h ASN 522 N -0.34 0.97 -0.12 4.20 2.35 -0.74 -0.68 115.58 121.23 2pnl h ASN 522 Ca 0.13 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2pnl h ASN 522 Cb 0.58 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 2pnl h ASN 522 CO -0.54 0.95 0.00 0.03 -1.65 0.00 0.00 177.43 176.21 2pnl h ARG 523 N 0.98 0.20 -0.44 0.81 3.08 -0.91 -1.11 114.38 116.99 2pnl h ARG 523 Ca 0.20 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 2pnl h ARG 523 Cb 0.36 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2pnl h ARG 523 CO 0.00 0.45 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.15 2pnl h LEU 524 N -0.06 0.88 -0.76 3.04 3.38 -1.03 -3.07 115.31 117.70 2pnl h LEU 524 Ca 0.03 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2pnl h LEU 524 Cb 0.35 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2pnl h LEU 524 CO 0.01 1.04 0.00 -0.33 0.09 0.00 0.00 178.44 179.25 2pnl h GLU 525 N 0.70 0.00 -0.15 1.13 5.08 -1.17 -2.09 114.58 118.07 2pnl h GLU 525 Ca 0.11 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2pnl h GLU 525 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2pnl h GLU 525 CO 0.05 0.00 0.18 0.66 -1.00 0.00 0.00 179.01 178.89 2pnl h SER 526 N 0.00 0.00 0.61 1.42 4.64 -1.09 -2.11 113.55 117.02 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 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2pnl h SER 526 CO 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 176.83 175.41 2pnl n ALA 527 N -2.31 3.34 -1.62 5.18 0.00 -0.79 -4.92 120.51 119.39 2pnl n ALA 527 Ca 0.01 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 2pnl n ALA 527 Cb 0.29 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 18.62 2pnl n ALA 527 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pnl n ASN 528 N -1.68 1.33 -3.30 0.00 5.03 -0.80 -4.75 115.26 111.08 2pnl n ASN 528 Ca 0.05 1.02 -0.10 0.00 0.87 0.00 0.00 54.58 56.42 2pnl n ASN 528 Cb 0.37 -1.37 -0.01 0.00 -1.02 0.00 0.00 39.78 37.75 2pnl n ASN 528 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2pnl s TYR 529 N -1.29 0.28 -1.28 3.10 -0.85 -0.14 -4.96 117.35 112.21 2pnl s TYR 529 Ca 0.64 -0.79 -0.11 0.00 -0.52 0.00 0.00 57.07 56.29 2pnl s TYR 529 Cb -0.54 0.55 -0.00 0.00 0.38 0.00 0.00 41.96 42.35 2pnl s TYR 529 CO 0.56 -1.35 0.60 0.39 -1.52 0.00 0.00 175.55 174.23 2pnl n GLU 530 N -0.51 -2.29 -1.88 -3.49 1.02 -1.26 0.41 120.64 112.65 2pnl n GLU 530 Ca -0.05 0.41 -0.42 0.00 -0.02 0.00 0.00 57.16 57.08 2pnl n GLU 530 Cb 0.60 -4.24 -0.03 0.00 -0.02 0.00 0.00 31.44 27.75 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 -6.36 4.19 -0.01 3.49 2.12 -1.26 -3.85 118.70 117.02 2pnl s GLU 531 Ca 0.23 2.43 0.01 0.00 0.36 0.00 0.00 54.97 57.99 2pnl s GLU 531 Cb -0.09 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.10 2pnl s GLU 531 CO 0.88 -0.66 -0.03 0.08 -0.54 0.00 0.00 175.26 174.99 2pnl s VAL 532 N 1.38 0.28 -0.22 3.70 1.01 0.88 -4.96 120.40 122.47 2pnl s VAL 532 Ca 0.72 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 2pnl s VAL 532 Cb -0.45 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 2pnl s VAL 532 CO 0.32 0.09 0.16 -0.70 0.00 0.00 0.00 175.10 174.97 2pnl s GLU 533 N 0.11 4.13 0.22 2.72 2.12 -1.26 -1.53 118.70 125.20 2pnl s GLU 533 Ca -0.01 -0.22 0.08 0.00 0.36 0.00 0.00 54.97 55.18 2pnl s GLU 533 Cb -0.04 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 2pnl s GLU 533 CO -0.00 0.16 0.05 -0.51 -0.54 0.00 0.00 175.26 174.42 2pnl s LEU 534 N 0.76 3.43 1.06 2.70 1.43 0.18 -4.98 118.68 123.25 2pnl s LEU 534 Ca 0.08 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 2pnl s LEU 534 Cb -0.12 -2.01 0.22 0.00 0.03 0.00 0.00 46.19 44.31 2pnl s LEU 534 CO 0.02 0.03 1.08 -2.16 0.23 0.00 0.00 176.35 175.55 2pnl s PRO 535 N -3.38 -0.08 0.27 1.29 0.04 -1.26 -1.80 135.00 130.08 2pnl s PRO 535 Ca 0.30 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.15 2pnl s PRO 535 Cb -0.08 -1.63 -0.11 0.00 0.04 0.00 0.00 34.50 32.72 2pnl s PRO 535 CO 0.21 -3.24 1.50 -2.14 0.04 0.00 0.00 177.00 173.37 2pnl s PRO 536 N -4.56 4.21 0.45 0.56 0.02 -1.26 -4.28 135.00 130.15 2pnl s PRO 536 Ca 0.67 2.41 -0.22 0.00 0.02 0.00 0.00 61.00 63.88 2pnl s PRO 536 Cb -0.24 -3.08 -0.08 0.00 0.02 0.00 0.00 34.50 31.13 2pnl s PRO 536 CO 0.62 -0.51 1.08 -1.25 -0.33 0.00 0.00 177.00 176.61 2pnl s PRO 537 N -0.42 3.90 0.48 5.54 0.04 -1.26 -4.92 135.00 138.36 2pnl s PRO 537 Ca 0.61 1.54 0.14 0.00 0.04 0.00 0.00 61.00 63.33 2pnl s PRO 537 Cb -0.44 -2.33 1.15 0.00 0.04 0.00 0.00 34.50 32.92 2pnl s PRO 537 CO 0.45 -0.38 2.09 0.66 0.04 0.00 0.00 177.00 179.86 2pnl h SER 538 N 2.01 0.16 -5.07 6.66 4.64 -1.94 -3.41 113.55 116.60 2pnl h SER 538 Ca -0.49 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 2pnl h SER 538 Cb 1.23 -0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 63.20 2pnl h SER 538 CO 0.60 0.11 0.11 -1.59 -0.87 0.00 0.00 176.83 175.19 2pnl s LYS 539 N -5.21 1.56 0.00 4.77 -2.85 -1.26 -0.15 119.74 116.60 2pnl s LYS 539 Ca -0.06 -0.93 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 2pnl s LYS 539 Cb 0.18 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.50 2pnl s LYS 539 CO 0.70 -0.69 0.00 0.41 0.10 0.00 0.00 175.35 175.87 2pnl n GLY 540 N -0.40 -1.21 3.26 0.59 0.00 -1.05 -4.10 105.19 102.26 2pnl n GLY 540 Ca -0.07 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.40 0.02 -0.14 1.61 0.11 -0.82 -4.26 120.40 114.53 2pnl s VAL 541 Ca 0.00 -0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 58.82 2pnl s VAL 541 Cb 0.00 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 2pnl s VAL 541 CO 0.00 -0.09 0.06 -0.63 -3.33 0.00 0.00 175.10 171.11 2pnl s ILE 542 N -0.38 4.81 0.11 7.04 1.01 -1.26 -0.68 121.20 131.85 2pnl s ILE 542 Ca -0.05 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.60 2pnl s ILE 542 Cb -0.03 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 2pnl s ILE 542 CO 0.02 0.54 -0.12 0.68 0.00 0.00 0.00 174.94 176.07 2pnl s VAL 543 N -0.34 1.11 0.27 2.92 -7.23 -0.56 -1.10 120.40 115.47 2pnl s VAL 543 Ca 0.09 -1.69 -0.10 0.00 -1.81 0.00 0.00 61.98 58.47 2pnl s VAL 543 Cb -0.12 -1.45 -0.07 0.00 0.56 0.00 0.00 36.38 35.30 2pnl s VAL 543 CO 0.02 -0.51 0.59 -2.16 -0.31 0.00 0.00 175.10 172.73 2pnl s PRO 544 N -2.78 3.79 -0.03 4.82 0.04 -1.26 -0.75 135.00 138.84 2pnl s PRO 544 Ca 0.07 0.29 0.05 0.00 0.04 0.00 0.00 61.00 61.45 2pnl s PRO 544 Cb -0.03 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 2pnl s PRO 544 CO 0.01 0.25 -0.18 0.08 0.04 0.00 0.00 177.00 177.20 2pnl s VAL 545 N -1.93 1.46 -0.20 -0.36 1.01 -0.23 -4.88 120.40 115.27 2pnl s VAL 545 Ca 0.48 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 2pnl s VAL 545 Cb -0.11 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2pnl s VAL 545 CO 0.23 0.42 0.06 -0.69 0.00 0.00 0.00 175.10 175.11 2pnl s VAL 546 N -0.12 4.61 -0.15 2.92 1.01 -1.26 -1.41 120.40 125.99 2pnl s VAL 546 Ca -0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 2pnl s VAL 546 Cb -0.10 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2pnl s VAL 546 CO 0.01 0.43 0.03 -1.00 0.00 0.00 0.00 175.10 174.58 2pnl s HIS 547 N 0.67 3.21 0.05 5.22 3.76 0.29 -4.94 115.29 123.55 2pnl s HIS 547 Ca 0.03 0.05 -0.01 0.00 -0.15 0.00 0.00 55.06 54.98 2pnl s HIS 547 Cb -0.13 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 2pnl s HIS 547 CO 0.02 0.22 -0.03 0.95 -0.85 0.00 0.00 174.74 175.05 2pnl s THR 548 N 0.00 0.21 -0.09 1.30 -4.23 -1.26 -1.92 115.64 109.65 2pnl s THR 548 Ca 0.04 -1.76 -0.06 0.00 -1.18 0.00 0.00 61.69 58.73 2pnl s THR 548 Cb -0.12 -1.45 0.03 0.00 1.34 0.00 0.00 72.50 72.30 2pnl s THR 548 CO 0.01 -0.97 0.23 0.54 -0.54 0.00 0.00 174.62 173.90 2pnl s VAL 549 N -3.79 -0.02 0.42 2.29 0.11 -1.26 -5.06 120.40 113.09 2pnl s VAL 549 Ca 0.06 0.08 0.21 0.00 -2.93 0.00 0.00 61.98 59.40 2pnl s VAL 549 Cb 0.07 -0.35 0.41 0.00 -1.53 0.00 0.00 36.38 34.99 2pnl s VAL 549 CO -0.10 0.03 1.80 0.07 -3.33 0.00 0.00 175.10 173.57 2pnl h LYS 550 N 6.55 0.33 0.00 1.54 -0.00 -2.02 -1.11 116.57 121.85 2pnl h LYS 550 Ca -0.34 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.29 2pnl h LYS 550 Cb 1.17 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 33.33 2pnl h LYS 550 CO 0.37 0.22 0.00 -1.13 -0.00 0.00 0.00 179.45 178.91 2pnl n SER 551 N -4.54 0.00 -3.26 7.07 3.41 -1.26 -3.92 113.62 111.12 2pnl n SER 551 Ca 0.24 -0.89 -0.25 0.00 -0.26 0.00 0.00 58.87 57.71 2pnl n SER 551 Cb 0.89 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.77 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 -0.98 3.44 -1.76 7.33 0.00 -0.42 -5.11 120.51 123.01 2pnl n ALA 552 Ca 0.20 -4.20 -0.39 0.00 0.00 0.00 0.00 53.44 49.05 2pnl n ALA 552 Cb 0.09 -0.85 0.03 0.00 0.00 0.00 0.00 19.45 18.72 2pnl n ALA 552 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2pnl s PRO 553 N -2.20 3.40 -1.06 0.00 0.04 -1.25 -2.45 135.00 131.49 2pnl s PRO 553 Ca 0.40 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2pnl s PRO 553 Cb 0.19 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2pnl s PRO 553 CO -0.07 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 176.39 2pnl n GLY 554 N 0.66 1.07 3.42 0.56 0.00 -1.26 -5.00 105.19 104.63 2pnl n GLY 554 Ca 0.08 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.65 2.29 0.12 1.61 2.02 -1.03 -1.95 118.70 119.11 2pnl s GLU 555 Ca 0.00 -0.83 -0.07 0.00 0.02 0.00 0.00 54.97 54.09 2pnl s GLU 555 Cb 0.00 -2.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.99 2pnl s GLU 555 CO 0.00 0.59 0.19 0.00 0.02 0.00 0.00 175.26 176.05 2pnl s ALA 556 N -0.73 0.05 0.12 5.21 0.00 -0.54 -4.66 121.76 121.22 2pnl s ALA 556 Ca 0.12 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 2pnl s ALA 556 Cb -0.10 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.69 2pnl s ALA 556 CO 0.01 -0.54 0.36 -0.59 0.00 0.00 0.00 175.76 174.99 2pnl s PHE 557 N -3.93 -0.13 0.23 0.00 -0.12 -0.81 -0.41 117.98 112.83 2pnl s PHE 557 Ca 0.12 -0.22 0.08 0.00 -0.05 0.00 0.00 56.93 56.86 2pnl s PHE 557 Cb 0.05 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 2pnl s PHE 557 CO -0.05 -0.67 0.04 0.20 -0.05 0.00 0.00 175.22 174.68 2pnl s GLY 558 N -2.82 1.62 0.23 1.99 0.00 -1.26 0.11 107.32 107.19 2pnl s GLY 558 Ca 0.04 -1.51 0.05 0.00 0.00 0.00 0.00 44.72 43.30 2pnl s GLY 558 CO -0.12 -1.55 0.19 -1.14 0.00 0.00 0.00 173.10 170.48 2pnl n SER 559 N -0.71 -0.42 -4.45 1.64 3.41 -0.50 -4.70 113.62 107.90 2pnl n SER 559 Ca -0.08 -2.49 -0.32 0.00 -0.26 0.00 0.00 58.87 55.72 2pnl n SER 559 Cb 0.57 1.12 -0.13 0.00 -0.26 0.00 0.00 64.21 65.51 2pnl n SER 559 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2pnl s LEU 560 N 0.00 2.60 0.06 1.04 1.43 -1.26 -1.07 118.68 121.48 2pnl s LEU 560 Ca 0.27 -0.31 0.09 0.00 -1.03 0.00 0.00 54.13 53.15 2pnl s LEU 560 Cb 0.01 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 2pnl s LEU 560 CO 0.19 0.31 -0.24 0.00 0.23 0.00 0.00 176.35 176.84 2pnl s ALA 561 N -0.78 2.05 -0.09 4.21 0.00 0.07 0.02 121.76 127.25 2pnl s ALA 561 Ca 0.12 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 50.90 2pnl s ALA 561 Cb -0.10 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 2pnl s ALA 561 CO 0.02 0.47 -0.21 -1.50 0.00 0.00 0.00 175.76 174.54 2pnl s ILE 562 N -0.87 2.37 -0.26 0.00 2.07 0.60 -1.50 121.20 123.61 2pnl s ILE 562 Ca 0.10 -0.93 -0.08 0.00 -1.41 0.00 0.00 60.65 58.33 2pnl s ILE 562 Cb -0.10 -1.92 -0.03 0.00 0.13 0.00 0.00 42.46 40.55 2pnl s ILE 562 CO 0.03 0.56 0.09 -0.63 -1.91 0.00 0.00 174.94 173.07 2pnl s ILE 563 N 0.09 4.45 0.10 2.00 1.01 0.15 -0.79 121.20 128.22 2pnl s ILE 563 Ca -0.10 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.46 2pnl s ILE 563 Cb -0.16 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 2pnl s ILE 563 CO 0.06 0.31 -0.13 0.27 0.00 0.00 0.00 174.94 175.45 2pnl s ILE 564 N 1.63 1.17 0.56 2.92 -4.36 -0.32 -1.94 121.20 120.86 2pnl s ILE 564 Ca 0.06 -1.60 -0.19 0.00 -0.26 0.00 0.00 60.65 58.67 2pnl s ILE 564 Cb -0.15 -1.38 -0.05 0.00 1.25 0.00 0.00 42.46 42.13 2pnl s ILE 564 CO 0.05 -0.41 1.11 -2.84 0.24 0.00 0.00 174.94 173.08 2pnl s PRO 565 N -2.50 3.31 0.00 0.37 0.02 -1.26 -0.86 135.00 134.09 2pnl s PRO 565 Ca 0.05 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.59 2pnl s PRO 565 Cb -0.05 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.46 2pnl s PRO 565 CO 0.02 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.23 2pnl n GLY 566 N -0.07 1.71 3.22 0.52 0.00 0.32 -4.71 105.19 106.19 2pnl n GLY 566 Ca 0.11 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.82 2.49 -0.42 1.61 2.02 -1.26 -2.24 118.70 119.07 2pnl s GLU 567 Ca 0.00 -1.31 0.07 0.00 0.02 0.00 0.00 54.97 53.75 2pnl s GLU 567 Cb 0.00 -3.42 0.43 0.00 0.10 0.00 0.00 34.13 31.23 2pnl s GLU 567 CO 0.00 -0.73 1.08 0.66 0.02 0.00 0.00 175.26 176.29 2pnl n TYR 568 N 4.74 3.02 -0.14 1.61 4.01 -1.26 -4.87 117.16 124.27 2pnl n TYR 568 Ca -0.11 -3.05 0.14 0.00 -0.16 0.00 0.00 57.90 54.72 2pnl n TYR 568 Cb 0.44 -0.13 0.50 0.00 -0.31 0.00 0.00 39.34 39.83 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 2.65 0.41 0.00 -0.72 0.13 -1.95 -0.65 132.00 131.86 2pnl h PRO 569 Ca 0.23 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2pnl h PRO 569 Cb 0.97 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2pnl h PRO 569 CO 0.79 0.27 0.00 1.05 -0.23 0.00 0.00 178.00 179.88 2pnl h GLU 570 N 0.43 0.00 -0.00 0.86 9.09 -1.99 -1.49 114.58 121.47 2pnl h GLU 570 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 2pnl h GLU 570 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 2pnl h GLU 570 CO -0.11 0.00 -0.18 1.28 0.05 0.00 0.00 179.01 180.05 2pnl n LEU 571 N -2.60 0.45 -4.89 3.06 4.77 -0.25 -4.86 117.00 112.68 2pnl n LEU 571 Ca 0.00 0.06 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 2pnl n LEU 571 Cb 0.20 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2pnl n LEU 571 CO 0.20 0.09 -0.17 -0.76 -1.33 0.00 0.00 177.39 175.42 2pnl s LEU 572 N -2.67 4.31 0.39 2.23 1.43 -0.56 -4.54 118.68 119.27 2pnl s LEU 572 Ca 0.22 0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 53.40 2pnl s LEU 572 Cb 0.19 -2.53 -0.12 0.00 0.03 0.00 0.00 46.19 43.76 2pnl s LEU 572 CO 0.53 0.27 0.99 -0.67 0.23 0.00 0.00 176.35 177.71 2pnl n ASP 573 N 1.05 1.19 0.30 2.29 2.03 -1.26 -4.82 116.55 117.33 2pnl n ASP 573 Ca -0.12 1.07 0.18 0.00 0.52 0.00 0.00 54.79 56.44 2pnl n ASP 573 Cb 0.53 -1.33 0.91 0.00 -0.72 0.00 0.00 41.12 40.51 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 1.64 1.12 0.00 -1.67 0.00 -1.92 -0.53 119.26 117.90 2pnl h ALA 574 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2pnl h ALA 574 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2pnl h ALA 574 CO 0.58 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.96 2pnl n ASN 575 N -3.31 0.00 -0.26 0.00 4.13 -1.26 -2.35 115.26 112.21 2pnl n ASN 575 Ca -0.02 0.19 0.06 0.00 1.68 0.00 0.00 54.58 56.49 2pnl n ASN 575 Cb 0.19 -0.37 -0.00 0.00 -1.54 0.00 0.00 39.78 38.05 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 -1.37 1.98 -1.83 3.52 6.02 -0.21 -3.48 117.38 122.00 2pnl n GLN 576 Ca 0.08 -0.65 -0.41 0.00 -0.01 0.00 0.00 57.00 56.01 2pnl n GLN 576 Cb 0.20 -1.14 -0.02 0.00 1.02 0.00 0.00 30.24 30.31 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 -0.23 2.50 -3.97 -1.09 6.02 -0.99 -3.34 117.38 116.28 2pnl n GLN 577 Ca 0.05 -2.58 -0.12 0.00 -0.01 0.00 0.00 57.00 54.34 2pnl n GLN 577 Cb 0.25 -3.30 -0.13 0.00 1.02 0.00 0.00 30.24 28.07 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 4.65 0.15 -0.17 5.09 1.01 -1.26 -5.00 120.40 124.88 2pnl s VAL 578 Ca 0.53 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2pnl s VAL 578 Cb 0.10 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.31 2pnl s VAL 578 CO 0.02 -0.16 -0.15 -0.22 0.00 0.00 0.00 175.10 174.58 2pnl s LEU 579 N -0.60 1.99 0.21 3.92 2.96 -1.26 -0.70 118.68 125.21 2pnl s LEU 579 Ca -0.05 -0.64 0.09 0.00 -0.22 0.00 0.00 54.13 53.31 2pnl s LEU 579 Cb -0.04 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 2pnl s LEU 579 CO -0.00 -0.06 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.46 2pnl s SER 580 N 1.39 4.31 0.08 3.68 0.01 -0.67 -4.94 113.70 117.56 2pnl s SER 580 Ca 0.03 -0.62 0.09 0.00 1.31 0.00 0.00 55.95 56.76 2pnl s SER 580 Cb -0.14 -0.74 -0.03 0.00 0.21 0.00 0.00 66.02 65.32 2pnl s SER 580 CO -0.11 0.07 -0.24 -1.00 0.41 0.00 0.00 173.24 172.37 2pnl s HIS 581 N -1.94 2.12 0.79 2.43 0.09 -1.26 -0.12 115.29 117.41 2pnl s HIS 581 Ca 0.27 -0.40 -0.12 0.00 -0.00 0.00 0.00 55.06 54.82 2pnl s HIS 581 Cb -0.08 -1.22 0.07 0.00 -0.00 0.00 0.00 32.58 31.35 2pnl s HIS 581 CO 0.17 0.19 1.11 -0.06 -0.00 0.00 0.00 174.74 176.14 2pnl s PHE 582 N -0.93 2.93 0.45 1.40 0.40 -0.79 0.85 117.98 122.30 2pnl s PHE 582 Ca 0.11 1.05 -0.23 0.00 -0.60 0.00 0.00 56.93 57.25 2pnl s PHE 582 Cb -0.10 -3.18 -0.09 0.00 0.51 0.00 0.00 43.02 40.16 2pnl s PHE 582 CO 0.03 -1.70 1.01 0.00 0.70 0.00 0.00 175.22 175.27 2pnl n ALA 583 N -3.36 0.26 -0.90 5.36 0.00 0.13 -4.53 120.51 117.47 2pnl n ALA 583 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2pnl n ALA 583 Cb 0.57 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 0.27 0.00 -3.55 0.00 3.02 -1.26 -3.73 115.26 110.00 2pnl n ASN 584 Ca 0.10 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.33 2pnl n ASN 584 Cb 0.41 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.35 4.58 -0.25 6.41 4.64 -1.26 -4.80 116.55 126.22 2pnl n ASP 585 Ca 0.00 -3.46 0.07 0.00 -1.38 0.00 0.00 54.79 50.02 2pnl n ASP 585 Cb 0.00 -0.83 0.10 0.00 -1.04 0.00 0.00 41.12 39.35 2pnl n ASP 585 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2pnl n THR 586 N 0.89 1.29 0.00 5.18 -2.24 -1.24 -4.90 114.28 113.25 2pnl n THR 586 Ca 0.29 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 2pnl n THR 586 Cb 0.39 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.95 -1.67 3.41 3.38 0.00 -1.26 -1.09 105.19 107.00 2pnl n GLY 587 Ca 0.11 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 2pnl n GLY 587 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pnl s SER 588 N -0.95 -0.12 -0.11 1.61 0.01 -1.26 -1.88 113.70 111.00 2pnl s SER 588 Ca 0.00 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.64 2pnl s SER 588 Cb 0.00 0.50 0.02 0.00 0.21 0.00 0.00 66.02 66.75 2pnl s SER 588 CO 0.00 -0.95 -0.11 -0.69 0.41 0.00 0.00 173.24 171.90 2pnl s VAL 589 N -3.90 1.20 0.16 3.43 1.01 0.83 -1.47 120.40 121.67 2pnl s VAL 589 Ca 0.11 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.35 2pnl s VAL 589 Cb 0.01 -1.16 -0.08 0.00 0.00 0.00 0.00 36.38 35.15 2pnl s VAL 589 CO -0.03 0.39 1.34 0.26 0.00 0.00 0.00 175.10 177.05 2pnl s TRP 590 N 1.35 3.26 0.00 5.22 0.52 0.08 -1.67 118.94 127.70 2pnl s TRP 590 Ca -0.01 1.12 0.00 0.00 0.02 0.00 0.00 56.10 57.23 2pnl s TRP 590 Cb -0.14 -3.63 0.00 0.00 -1.15 0.00 0.00 33.47 28.56 2pnl s TRP 590 CO -0.05 -2.06 0.00 0.41 0.02 0.00 0.00 176.95 175.27 2pnl n GLY 591 N 2.84 0.44 3.52 0.98 0.00 0.12 -0.66 105.19 112.44 2pnl n GLY 591 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 4.18 -1.84 -0.61 -1.09 -1.25 -1.58 121.20 117.01 2pnl s ILE 592 Ca 0.00 -0.25 0.26 0.00 -2.23 0.00 0.00 60.65 58.43 2pnl s ILE 592 Cb 0.00 -2.86 0.23 0.00 -1.58 0.00 0.00 42.46 38.24 2pnl s ILE 592 CO 0.00 0.46 1.48 0.61 -1.23 0.00 0.00 174.94 176.26 2pnl n GLY 593 N 3.76 -0.46 3.21 6.18 0.00 -0.08 -3.89 105.19 113.92 2pnl n GLY 593 Ca -0.17 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.48 1.25 0.64 1.61 2.02 -1.26 -5.00 118.70 115.49 2pnl s GLU 594 Ca 0.24 -0.87 -0.15 0.00 0.02 0.00 0.00 54.97 54.20 2pnl s GLU 594 Cb 0.19 -1.33 -0.01 0.00 0.10 0.00 0.00 34.13 33.08 2pnl s GLU 594 CO 0.52 0.34 1.11 -0.51 0.02 0.00 0.00 175.26 176.74 2pnl s ASP 595 N -1.13 5.20 -0.20 -0.19 1.01 -1.26 -4.67 116.67 115.43 2pnl s ASP 595 Ca 0.06 2.01 -0.07 0.00 0.71 0.00 0.00 52.55 55.26 2pnl s ASP 595 Cb -0.08 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2pnl s ASP 595 CO 0.02 -1.57 0.06 -0.51 0.21 0.00 0.00 175.17 173.38 2pnl s ILE 596 N -2.28 4.67 -1.81 0.77 -1.16 0.25 -4.90 121.20 116.74 2pnl s ILE 596 Ca 0.67 -0.07 0.00 0.00 -0.51 0.00 0.00 60.65 60.74 2pnl s ILE 596 Cb -0.21 -3.12 0.00 0.00 0.61 0.00 0.00 42.46 39.74 2pnl s ILE 596 CO 0.40 0.43 0.84 -0.81 -2.81 0.00 0.00 174.94 172.99 2pnl n PRO 597 N 3.82 0.93 -4.43 3.50 -0.04 -1.26 -1.76 135.00 135.77 2pnl n PRO 597 Ca -0.16 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.07 2pnl n PRO 597 Cb 0.52 -1.09 -0.09 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.81 1.74 0.39 0.54 -0.12 -1.26 -4.77 117.98 112.68 2pnl s PHE 598 Ca 0.00 -1.30 -0.14 0.00 -0.05 0.00 0.00 56.93 55.45 2pnl s PHE 598 Cb 0.00 -1.04 -0.08 0.00 -0.63 0.00 0.00 43.02 41.27 2pnl s PHE 598 CO 0.00 -0.37 0.79 -1.21 -0.05 0.00 0.00 175.22 174.38 2pnl s GLU 599 N -3.76 3.92 0.00 1.99 2.02 -1.26 0.18 118.70 121.79 2pnl s GLU 599 Ca 0.31 0.65 0.00 0.00 0.02 0.00 0.00 54.97 55.94 2pnl s GLU 599 Cb 0.04 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.91 2pnl s GLU 599 CO 0.16 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.87 2pnl n GLY 600 N -0.92 1.68 1.87 -1.39 0.00 -1.25 -4.86 105.19 100.32 2pnl n GLY 600 Ca 0.04 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.91 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 0.00 4.92 -3.02 1.61 5.75 -1.23 -4.95 116.55 119.63 2pnl n ASP 601 Ca 0.00 -3.78 -0.16 0.00 -0.01 0.00 0.00 54.79 50.85 2pnl n ASP 601 Cb 0.00 -0.53 0.02 0.00 -1.03 0.00 0.00 41.12 39.57 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 -0.85 -7.34 -4.29 -1.12 4.13 -0.25 -5.02 115.26 100.53 2pnl n ASN 602 Ca 0.45 0.35 -0.29 0.00 1.68 0.00 0.00 54.58 56.77 2pnl n ASN 602 Cb 0.90 -4.46 -0.15 0.00 -1.54 0.00 0.00 39.78 34.53 2pnl n ASN 602 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pnl s TYR 605 N -0.64 1.27 -0.04 0.00 2.02 -0.54 -0.52 117.35 118.91 2pnl s TYR 605 Ca 0.10 -0.68 0.05 0.00 -0.37 0.00 0.00 57.07 56.17 2pnl s TYR 605 Cb -0.09 -0.66 -0.01 0.00 -0.40 0.00 0.00 41.96 40.80 2pnl s TYR 605 CO -0.00 0.09 -0.20 0.99 -1.57 0.00 0.00 175.55 174.87 2pnl s THR 606 N -2.83 1.59 -0.33 -0.71 2.01 -0.04 -0.74 115.64 114.59 2pnl s THR 606 Ca 0.13 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 2pnl s THR 606 Cb -0.01 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 2pnl s THR 606 CO 0.01 0.45 0.21 0.00 -0.69 0.00 0.00 174.62 174.61 2pnl s ALA 607 N -0.17 3.44 -0.02 7.40 0.00 0.17 -1.17 121.76 131.40 2pnl s ALA 607 Ca 0.00 -1.37 0.07 0.00 0.00 0.00 0.00 51.96 50.66 2pnl s ALA 607 Cb -0.11 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 2pnl s ALA 607 CO 0.01 -0.94 -0.24 -0.51 0.00 0.00 0.00 175.76 174.08 2pnl s LEU 608 N 1.69 2.05 -0.15 0.00 1.43 0.03 -4.61 118.68 119.12 2pnl s LEU 608 Ca 0.06 -0.44 -0.36 0.00 -1.03 0.00 0.00 54.13 52.35 2pnl s LEU 608 Cb -0.17 -1.26 -0.13 0.00 0.03 0.00 0.00 46.19 44.66 2pnl s LEU 608 CO 0.09 0.30 1.85 -2.65 0.23 0.00 0.00 176.35 176.16 2pnl n PRO 609 N 2.51 1.88 -3.17 1.29 -0.02 -1.26 -0.29 135.00 135.94 2pnl n PRO 609 Ca -0.16 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 2pnl n PRO 609 Cb 0.52 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 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 3.95 4.45 -0.11 2.45 2.96 0.10 -3.48 118.68 129.00 2pnl s LEU 610 Ca 0.94 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 54.59 2pnl s LEU 610 Cb -0.80 -2.66 -0.27 0.00 0.50 0.00 0.00 46.19 42.95 2pnl s LEU 610 CO 0.56 -0.64 0.42 0.50 -1.32 0.00 0.00 176.35 175.87 2pnl h LYS 611 N 8.66 0.29 -1.92 1.98 3.64 -0.22 -3.41 116.57 125.60 2pnl h LYS 611 Ca -0.26 -0.50 -0.02 0.00 -1.27 0.00 0.00 60.65 58.60 2pnl h LYS 611 Cb 1.11 0.18 -0.21 0.00 -0.41 0.00 0.00 32.23 32.90 2pnl h LYS 611 CO 0.84 1.24 0.21 -2.00 -2.27 0.00 0.00 179.45 177.47 2pnl s GLU 612 N -2.56 0.83 -0.34 1.90 2.12 -0.82 -4.98 118.70 114.84 2pnl s GLU 612 Ca -0.21 0.74 -0.16 0.00 0.36 0.00 0.00 54.97 55.69 2pnl s GLU 612 Cb 0.06 0.40 -0.01 0.00 0.26 0.00 0.00 34.13 34.84 2pnl s GLU 612 CO 0.78 -0.15 0.42 0.42 -0.54 0.00 0.00 175.26 176.19 2pnl s ILE 613 N -0.05 5.11 0.54 -3.70 1.01 -1.26 -0.91 121.20 121.94 2pnl s ILE 613 Ca -0.02 0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.62 2pnl s ILE 613 Cb -0.04 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 2pnl s ILE 613 CO 0.02 -0.12 1.20 -0.54 0.00 0.00 0.00 174.94 175.50 2pnl s LYS 614 N 2.16 3.30 0.49 2.79 -0.14 0.12 -4.94 119.74 123.51 2pnl s LYS 614 Ca 0.14 1.83 0.16 0.00 -1.36 0.00 0.00 55.97 56.74 2pnl s LYS 614 Cb -0.16 -2.12 1.18 0.00 -1.68 0.00 0.00 37.83 35.05 2pnl s LYS 614 CO 0.12 -0.95 2.08 0.00 -0.76 0.00 0.00 175.35 175.84 2pnl h ARG 615 N 1.36 0.16 0.00 1.68 3.08 -1.98 -0.01 114.38 118.67 2pnl h ARG 615 Ca -0.50 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2pnl h ARG 615 Cb 1.28 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2pnl h ARG 615 CO 0.57 0.11 0.00 0.27 -1.07 0.00 0.00 179.97 179.85 2pnl n ASN 616 N -4.49 0.00 0.00 7.04 0.23 -1.26 -4.91 115.26 111.87 2pnl n ASN 616 Ca 0.02 -0.25 0.00 0.00 -0.53 0.00 0.00 54.58 53.83 2pnl n ASN 616 Cb 0.22 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 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 0.64 2.33 3.69 4.83 0.00 -0.02 -4.96 105.19 111.71 2pnl n GLY 617 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 1.55 -4.42 1.61 3.02 -1.26 -4.10 115.26 111.65 2pnl n ASN 618 Ca 0.00 0.76 -0.30 0.00 -0.03 0.00 0.00 54.58 55.02 2pnl n ASN 618 Cb 0.00 -1.51 -0.13 0.00 -0.61 0.00 0.00 39.78 37.53 2pnl n ASN 618 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2pnl s ILE 619 N -1.58 2.52 -0.21 2.41 -4.36 -0.74 -0.70 121.20 118.54 2pnl s ILE 619 Ca 0.79 -1.48 -0.03 0.00 -0.26 0.00 0.00 60.65 59.68 2pnl s ILE 619 Cb -0.36 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.25 2pnl s ILE 619 CO 0.44 0.21 -0.06 -0.69 0.24 0.00 0.00 174.94 175.07 2pnl s VAL 620 N -1.00 3.26 0.31 8.37 1.01 -0.08 0.47 120.40 132.73 2pnl s VAL 620 Ca 0.15 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2pnl s VAL 620 Cb -0.10 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2pnl s VAL 620 CO 0.06 0.45 0.12 0.68 0.00 0.00 0.00 175.10 176.40 2pnl s VAL 621 N 1.31 3.36 0.27 2.92 -7.23 -0.58 0.52 120.40 120.97 2pnl s VAL 621 Ca 0.04 -1.70 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 2pnl s VAL 621 Cb -0.14 -3.01 -0.02 0.00 0.56 0.00 0.00 36.38 33.77 2pnl s VAL 621 CO -0.03 -0.26 0.34 -1.83 -0.31 0.00 0.00 175.10 173.02 2pnl s GLU 622 N -3.81 1.58 0.06 4.82 -1.05 -1.23 -0.08 118.70 119.00 2pnl s GLU 622 Ca 0.36 -1.62 -0.07 0.00 -0.15 0.00 0.00 54.97 53.48 2pnl s GLU 622 Cb -0.05 0.38 -0.05 0.00 -0.44 0.00 0.00 34.13 33.97 2pnl s GLU 622 CO 0.22 -0.61 0.34 0.15 0.95 0.00 0.00 175.26 176.31 2pnl s LYS 623 N -3.69 3.66 0.05 -4.83 1.02 0.17 -4.40 119.74 111.71 2pnl s LYS 623 Ca 0.32 0.01 0.04 0.00 0.02 0.00 0.00 55.97 56.36 2pnl s LYS 623 Cb 0.02 -3.00 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 2pnl s LYS 623 CO 0.16 0.58 -0.11 0.96 -0.92 0.00 0.00 175.35 176.02 2pnl s ILE 624 N -1.41 0.84 -0.79 2.17 -4.36 -1.26 -0.96 121.20 115.43 2pnl s ILE 624 Ca 0.32 -1.12 -0.18 0.00 -0.26 0.00 0.00 60.65 59.42 2pnl s ILE 624 Cb -0.13 -0.83 0.14 0.00 1.25 0.00 0.00 42.46 42.88 2pnl s ILE 624 CO 0.19 -0.24 0.91 0.12 0.24 0.00 0.00 174.94 176.15 2pnl s PHE 625 N -1.20 3.19 0.20 1.37 5.36 -1.26 -4.60 117.98 121.04 2pnl s PHE 625 Ca -0.05 -1.33 -0.23 0.00 -0.96 0.00 0.00 56.93 54.36 2pnl s PHE 625 Cb -0.09 -4.10 0.06 0.00 -0.34 0.00 0.00 43.02 38.54 2pnl s PHE 625 CO 0.01 -1.33 0.91 0.00 -1.46 0.00 0.00 175.22 173.35 2pnl s ALA 626 N 2.23 -1.49 1.11 11.12 0.00 -1.26 -5.10 121.76 128.37 2pnl s ALA 626 Ca 0.22 -0.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.91 2pnl s ALA 626 Cb -0.13 0.70 0.25 0.00 0.00 0.00 0.00 23.12 23.94 2pnl s ALA 626 CO -0.03 -1.04 1.13 0.41 0.00 0.00 0.00 175.76 176.23 2pnl n GLY 627 N -0.51 -2.11 3.70 0.00 0.00 -1.26 -4.18 105.19 100.84 2pnl n GLY 627 Ca -0.05 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 2pnl n GLY 627 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2pnl s PRO 628 N -5.51 1.35 0.68 1.61 0.02 -1.23 -4.73 135.00 127.18 2pnl s PRO 628 Ca 0.68 1.22 -0.13 0.00 0.02 0.00 0.00 61.00 62.79 2pnl s PRO 628 Cb -0.04 -1.79 0.01 0.00 0.02 0.00 0.00 34.50 32.70 2pnl s PRO 628 CO 0.50 -2.29 1.08 0.42 -0.33 0.00 0.00 177.00 176.38 2pnl s ILE 629 N -2.78 3.53 0.38 2.83 1.01 -0.61 -4.67 121.20 120.88 2pnl s ILE 629 Ca 0.64 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.91 2pnl s ILE 629 Cb -0.20 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.10 2pnl s ILE 629 CO 0.58 -0.53 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2pnl n GLY 631 N -1.04 -2.63 0.43 6.18 0.00 -1.26 -0.90 105.19 105.96 2pnl n GLY 631 Ca 0.09 -1.20 0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.78 1.34 -0.03 1.61 -0.04 -1.26 -4.53 135.00 128.32 2pnl n PRO 632 Ca -0.04 -0.87 0.12 0.00 -0.04 0.00 0.00 63.50 62.68 2pnl n PRO 632 Cb 0.49 -1.48 0.56 0.00 -0.04 0.00 0.00 33.50 33.02 2pnl n PRO 632 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2pnl n SER 633 N -0.07 0.88 -0.21 3.54 3.41 -1.26 -2.14 113.62 117.76 2pnl n SER 633 Ca 0.15 -1.46 0.13 0.00 -0.26 0.00 0.00 58.87 57.43 2pnl n SER 633 Cb 0.39 -0.03 0.47 0.00 -0.26 0.00 0.00 64.21 64.77 2pnl n SER 633 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pnl n ALA 634 N -0.25 2.93 -0.12 7.33 0.00 -1.26 -1.58 120.51 127.57 2pnl n ALA 634 Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 2pnl n ALA 634 Cb 0.22 -1.21 0.25 0.00 0.00 0.00 0.00 19.45 18.71 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 1.01 0.80 0.26 0.00 4.20 -1.44 0.24 115.11 120.19 2pnl h GLN 635 Ca 0.00 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 2pnl h GLN 635 Cb 0.45 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2pnl h GLN 635 CO 0.00 0.65 -0.13 1.25 -0.67 0.00 0.00 178.83 179.94 2pnl h LEU 636 N 0.79 -0.30 -0.45 1.46 5.85 -1.33 0.41 115.31 121.74 2pnl h LEU 636 Ca 0.19 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.95 2pnl h LEU 636 Cb 0.15 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2pnl h LEU 636 CO -0.02 -0.21 0.24 1.23 -0.34 0.00 0.00 178.44 179.34 2pnl h GLY 637 N -0.35 0.63 0.97 3.75 0.00 -1.67 -2.12 103.07 104.27 2pnl h GLY 637 Ca -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2pnl h GLY 637 CO 0.06 0.13 0.23 1.41 0.00 0.00 0.00 176.54 178.37 2pnl h LEU 638 N 0.48 0.59 -0.80 3.11 3.38 -0.60 -0.86 115.31 120.61 2pnl h LEU 638 Ca 0.19 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2pnl h LEU 638 Cb 0.07 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 2pnl h LEU 638 CO -0.12 0.53 0.48 -1.28 0.09 0.00 0.00 178.44 178.15 2pnl h SER 639 N 0.60 0.75 -0.33 -0.43 0.87 0.18 -2.00 113.55 113.19 2pnl h SER 639 Ca 0.16 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 2pnl h SER 639 Cb 0.09 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2pnl h SER 639 CO -0.02 0.48 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.57 2pnl h LEU 640 N 0.88 0.67 -0.79 2.23 3.38 -1.14 -1.82 115.31 118.71 2pnl h LEU 640 Ca 0.35 -0.39 0.18 0.00 0.09 0.00 0.00 57.88 58.12 2pnl h LEU 640 Cb 0.18 -0.18 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 2pnl h LEU 640 CO -0.18 0.91 0.23 0.25 0.09 0.00 0.00 178.44 179.74 2pnl h LEU 641 N 0.43 0.08 0.00 1.67 5.85 -0.62 0.36 115.31 123.08 2pnl h LEU 641 Ca 0.08 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2pnl h LEU 641 Cb 0.63 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 2pnl h LEU 641 CO 0.04 -0.04 -1.37 1.33 -0.34 0.00 0.00 178.44 178.06 2pnl n VAL 642 N -5.14 0.44 -0.05 1.05 0.24 -0.80 -4.20 118.33 109.88 2pnl n VAL 642 Ca 0.17 -0.54 -0.04 0.00 -2.04 0.00 0.00 64.34 61.89 2pnl n VAL 642 Cb 0.53 -0.24 -0.08 0.00 -1.47 0.00 0.00 33.84 32.58 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 -2.54 2.60 0.00 -1.34 4.13 -0.70 -4.47 115.26 112.94 2pnl n ASN 643 Ca -0.02 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.24 2pnl n ASN 643 Cb 0.57 0.79 0.00 0.00 -1.54 0.00 0.00 39.78 39.60 2pnl n ASN 643 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2pnl n ASP 644 N -2.33 3.96 -4.68 6.41 8.00 0.96 -5.02 116.55 123.85 2pnl n ASP 644 Ca -0.15 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.94 2pnl n ASP 644 Cb 0.78 0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 41.95 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 -1.93 4.95 -0.08 0.53 1.01 0.51 -4.93 121.20 121.27 2pnl s ILE 645 Ca 0.00 1.48 -0.02 0.00 0.00 0.00 0.00 60.65 62.11 2pnl s ILE 645 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2pnl s ILE 645 CO 0.00 0.10 -0.09 -0.62 0.00 0.00 0.00 174.94 174.33 2pnl n GLU 646 N 4.85 0.19 -4.45 2.79 1.02 -1.26 -4.77 120.64 119.00 2pnl n GLU 646 Ca 0.02 0.06 -0.26 0.00 -0.02 0.00 0.00 57.16 56.96 2pnl n GLU 646 Cb 0.50 -1.00 -0.17 0.00 -0.02 0.00 0.00 31.44 30.75 2pnl n GLU 646 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pnl s ASP 647 N -5.20 1.96 0.33 1.62 1.01 -1.26 -4.66 116.67 110.47 2pnl s ASP 647 Ca -0.11 -0.32 0.00 0.00 0.71 0.00 0.00 52.55 52.83 2pnl s ASP 647 Cb 0.03 -0.88 0.00 0.00 1.01 0.00 0.00 42.92 43.09 2pnl s ASP 647 CO 0.17 0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.16 2pnl n GLY 648 N 4.07 -1.77 3.18 0.21 0.00 0.79 -4.85 105.19 106.82 2pnl n GLY 648 Ca -0.20 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.41 2.32 0.23 1.61 1.01 -1.26 -2.54 120.40 121.36 2pnl s VAL 649 Ca 0.00 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 60.81 2pnl s VAL 649 Cb 0.00 -1.98 -0.11 0.00 0.00 0.00 0.00 36.38 34.29 2pnl s VAL 649 CO 0.00 0.52 1.60 -2.84 0.00 0.00 0.00 175.10 174.38 2pnl s PRO 650 N 1.13 4.17 -1.29 2.72 0.02 -1.26 -5.00 135.00 135.49 2pnl s PRO 650 Ca 0.01 2.48 -0.15 0.00 0.02 0.00 0.00 61.00 63.36 2pnl s PRO 650 Cb -0.14 -3.09 0.11 0.00 0.02 0.00 0.00 34.50 31.40 2pnl s PRO 650 CO -0.07 -0.63 1.70 0.54 -0.33 0.00 0.00 177.00 178.22 2pnl n ARG 651 N 3.22 3.25 -3.66 5.54 5.12 -1.26 -4.67 116.66 124.19 2pnl n ARG 651 Ca 0.12 -3.42 -0.17 0.00 -1.93 0.00 0.00 57.85 52.45 2pnl n ARG 651 Cb 0.37 -3.27 -0.16 0.00 -1.16 0.00 0.00 32.46 28.24 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 2.90 -0.26 -0.12 1.55 1.01 0.01 -4.45 120.40 121.05 2pnl s VAL 653 Ca 0.48 0.35 -0.11 0.00 0.00 0.00 0.00 61.98 62.70 2pnl s VAL 653 Cb 0.03 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 2pnl s VAL 653 CO 0.03 0.14 0.25 -0.36 0.00 0.00 0.00 175.10 175.16 2pnl s PHE 654 N 2.29 3.55 -0.03 5.22 0.08 -0.26 0.06 117.98 128.89 2pnl s PHE 654 Ca 0.03 0.62 0.01 0.00 0.12 0.00 0.00 56.93 57.71 2pnl s PHE 654 Cb -0.12 -2.19 0.02 0.00 -0.57 0.00 0.00 43.02 40.16 2pnl s PHE 654 CO -0.06 0.47 -0.04 -0.08 -0.10 0.00 0.00 175.22 175.42 2pnl s THR 655 N -0.30 0.45 0.00 0.64 -1.32 0.34 -4.06 115.64 111.39 2pnl s THR 655 Ca 0.16 -0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 2pnl s THR 655 Cb -0.13 -0.46 0.00 0.00 -1.51 0.00 0.00 72.50 70.40 2pnl s THR 655 CO 0.05 0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 2pnl n GLY 656 N 3.76 3.68 3.84 6.08 0.00 -0.61 -4.34 105.19 117.60 2pnl n GLY 656 Ca -0.23 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.39 4.08 -0.22 1.61 2.12 -0.75 -1.15 118.70 122.01 2pnl s GLU 657 Ca 0.00 0.72 -0.09 0.00 0.36 0.00 0.00 54.97 55.95 2pnl s GLU 657 Cb 0.00 -2.62 -0.05 0.00 0.26 0.00 0.00 34.13 31.73 2pnl s GLU 657 CO 0.00 0.26 0.12 0.42 -0.54 0.00 0.00 175.26 175.52 2pnl s ILE 658 N -1.80 5.15 1.24 -3.70 -1.09 -1.26 -0.41 121.20 119.33 2pnl s ILE 658 Ca 0.49 0.10 -0.17 0.00 -2.23 0.00 0.00 60.65 58.84 2pnl s ILE 658 Cb -0.13 -3.37 0.30 0.00 -1.58 0.00 0.00 42.46 37.69 2pnl s ILE 658 CO 0.19 0.39 1.01 0.00 -1.23 0.00 0.00 174.94 175.31 2pnl s ALA 659 N 0.78 -0.28 0.55 9.38 0.00 -0.56 -4.85 121.76 126.78 2pnl s ALA 659 Ca 0.06 -0.53 0.23 0.00 0.00 0.00 0.00 51.96 51.72 2pnl s ALA 659 Cb -0.13 -3.07 1.49 0.00 0.00 0.00 0.00 23.12 21.42 2pnl s ALA 659 CO 0.02 -3.97 2.15 -0.44 0.00 0.00 0.00 175.76 173.52 2pnl h ASP 660 N -2.82 0.00 0.28 0.00 3.45 -1.99 -1.10 116.42 114.23 2pnl h ASP 660 Ca -0.53 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.93 2pnl h ASP 660 Cb 1.33 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.10 2pnl h ASP 660 CO 0.42 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.19 2pnl n ASP 661 N -4.22 0.00 -1.92 6.45 5.68 -1.26 -4.89 116.55 116.38 2pnl n ASP 661 Ca -0.01 0.09 -0.17 0.00 -0.50 0.00 0.00 54.79 54.20 2pnl n ASP 661 Cb 0.19 -0.29 -0.04 0.00 -1.14 0.00 0.00 41.12 39.84 2pnl n ASP 661 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2pnl n GLU 662 N -1.29 -1.64 0.00 0.11 1.02 -0.42 -4.73 120.64 113.69 2pnl n GLU 662 Ca 0.07 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 2pnl n GLU 662 Cb 0.12 -5.37 0.00 0.00 -0.02 0.00 0.00 31.44 26.16 2pnl n GLU 662 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2pnl n GLU 663 N -2.49 0.15 -2.83 3.49 4.07 -1.26 -4.92 120.64 116.85 2pnl n GLU 663 Ca -0.18 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.52 2pnl n GLU 663 Cb 0.60 -0.53 -0.06 0.00 -0.06 0.00 0.00 31.44 31.39 2pnl n GLU 663 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2pnl s THR 664 N -1.06 4.24 -0.30 6.31 2.01 -1.26 -1.65 115.64 123.93 2pnl s THR 664 Ca 0.00 1.94 -0.09 0.00 0.31 0.00 0.00 61.69 63.85 2pnl s THR 664 Cb 0.00 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 2pnl s THR 664 CO 0.00 0.48 0.14 -0.63 -0.69 0.00 0.00 174.62 173.92 2pnl s ILE 665 N -1.00 4.56 -0.13 1.82 1.01 -1.26 -1.49 121.20 124.71 2pnl s ILE 665 Ca 0.40 -0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.48 2pnl s ILE 665 Cb -0.25 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 2pnl s ILE 665 CO 0.30 0.12 0.57 -0.63 0.00 0.00 0.00 174.94 175.29 2pnl s ILE 666 N 1.62 5.11 1.10 2.92 1.01 0.45 -4.85 121.20 128.55 2pnl s ILE 666 Ca 0.05 1.12 -0.13 0.00 0.00 0.00 0.00 60.65 61.69 2pnl s ILE 666 Cb -0.17 -3.90 0.25 0.00 0.01 0.00 0.00 42.46 38.65 2pnl s ILE 666 CO 0.06 0.24 1.06 -2.16 0.00 0.00 0.00 174.94 174.14 2pnl s PRO 667 N 1.09 -0.42 0.34 2.79 0.04 -1.26 -1.80 135.00 135.78 2pnl s PRO 667 Ca 0.29 0.61 0.03 0.00 0.04 0.00 0.00 61.00 61.97 2pnl s PRO 667 Cb -0.16 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2pnl s PRO 667 CO 0.12 -3.33 0.10 0.96 0.04 0.00 0.00 177.00 174.90 2pnl s ILE 668 N -2.72 0.76 0.02 0.56 -5.25 -1.26 -4.69 121.20 108.61 2pnl s ILE 668 Ca 0.67 -2.00 -0.22 0.00 -0.99 0.00 0.00 60.65 58.12 2pnl s ILE 668 Cb -0.21 -2.56 -0.06 0.00 2.95 0.00 0.00 42.46 42.58 2pnl s ILE 668 CO 0.61 0.00 0.64 0.00 -1.79 0.00 0.00 174.94 174.40 2pnl n GLY 670 N 2.35 0.39 0.33 0.00 0.00 -1.26 -4.96 105.19 102.04 2pnl n GLY 670 Ca -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2pnl n GLY 670 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2pnl h VAL 671 N -0.25 1.19 -0.37 1.61 -1.51 -1.93 -2.90 116.25 112.08 2pnl h VAL 671 Ca -0.09 -0.44 -0.10 0.00 -1.23 0.00 0.00 66.70 64.85 2pnl h VAL 671 Cb 1.05 0.26 -0.02 0.00 -2.13 0.00 0.00 31.29 30.46 2pnl h VAL 671 CO 0.07 0.20 -0.16 0.44 -1.23 0.00 0.00 177.57 176.89 2pnl h ASP 672 N 0.92 0.69 -0.20 4.19 3.32 -1.93 0.48 116.42 123.89 2pnl h ASP 672 Ca 0.24 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 2pnl h ASP 672 Cb -0.02 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 2pnl h ASP 672 CO -0.04 0.86 -0.32 0.40 -1.72 0.00 0.00 179.24 178.42 2pnl h ILE 673 N 0.62 1.33 -0.78 0.35 2.04 -1.94 -2.42 117.51 116.71 2pnl h ILE 673 Ca 0.10 -1.54 0.05 0.00 1.00 0.00 0.00 64.86 64.47 2pnl h ILE 673 Cb 0.63 1.83 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 2pnl h ILE 673 CO 0.04 0.47 0.51 0.00 0.00 0.00 0.00 178.15 179.18 2pnl h ALA 674 N 0.61 1.61 -0.53 1.87 0.00 -1.22 -2.74 119.26 118.86 2pnl h ALA 674 Ca 0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2pnl h ALA 674 Cb 0.91 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2pnl h ALA 674 CO 0.07 0.29 -0.09 0.00 0.00 0.00 0.00 179.25 179.53 2pnl h ALA 675 N 1.57 0.73 -0.50 0.00 0.00 0.09 -2.29 119.26 118.85 2pnl h ALA 675 Ca 0.33 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2pnl h ALA 675 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2pnl h ALA 675 CO -0.11 0.62 0.22 0.82 0.00 0.00 0.00 179.25 180.80 2pnl h ILE 676 N 0.87 1.20 -0.02 0.00 2.04 -1.18 -1.27 117.51 119.16 2pnl h ILE 676 Ca 0.14 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 2pnl h ILE 676 Cb 0.65 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2pnl h ILE 676 CO 0.04 0.23 0.01 0.00 0.00 0.00 0.00 178.15 178.43 2pnl h ALA 677 N 1.06 0.02 -0.26 1.87 0.00 -1.31 -0.96 119.26 119.68 2pnl h ALA 677 Ca 0.17 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2pnl h ALA 677 Cb 0.16 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 2pnl h ALA 677 CO -0.02 -0.40 -0.34 0.00 0.00 0.00 0.00 179.25 178.50 2pnl h ALA 678 N 0.84 -0.32 0.00 0.00 0.00 -1.39 -3.04 119.26 115.35 2pnl h ALA 678 Ca 0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2pnl h ALA 678 Cb 0.17 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2pnl h ALA 678 CO -0.00 -0.78 -0.14 0.45 0.00 0.00 0.00 179.25 178.77 2pnl h HIS 679 N -0.34 0.00 0.00 0.00 3.86 -0.93 -1.21 115.15 116.53 2pnl h HIS 679 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2pnl h HIS 679 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 2pnl h HIS 679 CO -0.48 0.14 0.00 0.93 0.86 0.00 0.00 177.93 179.38 2pnl h GLU 680 N 0.00 0.00 -0.30 2.45 5.08 -1.07 -2.38 114.58 118.36 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 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2pnl h GLU 680 CO 0.02 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.07 2pnl n GLN 681 N -2.71 2.16 -1.01 2.33 6.02 -0.54 -4.99 117.38 118.64 2pnl n GLN 681 Ca 0.02 -1.99 -0.00 0.00 -0.01 0.00 0.00 57.00 55.02 2pnl n GLN 681 Cb 0.29 -1.39 -0.00 0.00 1.02 0.00 0.00 30.24 30.16 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 1.08 0.41 3.59 1.08 0.00 -0.90 -4.97 105.19 105.47 2pnl n GLY 682 Ca 0.15 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.05 3.12 0.48 0.99 1.43 -0.73 -4.99 118.68 118.94 2pnl s LEU 683 Ca 0.00 -0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 52.70 2pnl s LEU 683 Cb 0.00 -1.81 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 2pnl s LEU 683 CO 0.00 0.26 1.06 -2.16 0.23 0.00 0.00 176.35 175.74 2pnl s PRO 684 N -1.55 3.78 -0.18 1.29 0.04 -1.26 -3.53 135.00 133.59 2pnl s PRO 684 Ca 0.18 1.43 -0.10 0.00 0.04 0.00 0.00 61.00 62.55 2pnl s PRO 684 Cb -0.11 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 2pnl s PRO 684 CO 0.09 -0.46 0.16 -1.17 0.04 0.00 0.00 177.00 175.66 2pnl s LEU 685 N -3.41 4.25 -0.10 -3.56 2.96 -1.26 -0.81 118.68 116.75 2pnl s LEU 685 Ca 0.67 0.33 0.04 0.00 -0.22 0.00 0.00 54.13 54.95 2pnl s LEU 685 Cb -0.19 -2.14 -0.00 0.00 0.50 0.00 0.00 46.19 44.36 2pnl s LEU 685 CO 0.22 0.20 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.59 2pnl s ILE 686 N 0.14 2.09 -0.94 6.68 -1.09 0.11 0.04 121.20 128.23 2pnl s ILE 686 Ca 0.11 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 2pnl s ILE 686 Cb -0.12 -1.79 0.00 0.00 -1.58 0.00 0.00 42.46 38.97 2pnl s ILE 686 CO 0.00 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 2pnl n GLY 687 N 3.47 -0.89 2.74 6.18 0.00 -1.21 -0.51 105.19 114.98 2pnl n GLY 687 Ca -0.19 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 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 0.27 4.51 -3.55 1.61 5.15 -1.26 -1.99 115.26 120.00 2pnl n ASN 688 Ca 0.00 -3.60 -0.08 0.00 -0.60 0.00 0.00 54.58 50.31 2pnl n ASN 688 Cb 0.00 -0.66 -0.03 0.00 -0.53 0.00 0.00 39.78 38.55 2pnl n ASN 688 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pnl s GLN 689 N -3.16 0.59 0.55 1.20 -2.07 -1.26 -4.51 119.66 111.00 2pnl s GLN 689 Ca 0.45 -0.10 -0.21 0.00 -1.82 0.00 0.00 55.36 53.67 2pnl s GLN 689 Cb 0.22 0.28 -0.05 0.00 -1.09 0.00 0.00 33.01 32.37 2pnl s GLN 689 CO -0.08 -0.24 1.35 -2.14 -1.32 0.00 0.00 175.29 172.86 2pnl s PRO 690 N -2.23 3.09 0.00 9.60 0.02 -1.26 -3.20 135.00 141.02 2pnl s PRO 690 Ca 0.04 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.29 2pnl s PRO 690 Cb -0.01 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.29 2pnl s PRO 690 CO -0.05 -1.22 0.00 0.41 -0.33 0.00 0.00 177.00 175.81 2pnl n GLY 691 N 0.74 2.82 3.79 0.52 0.00 -1.26 -4.96 105.19 106.83 2pnl n GLY 691 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.78 3.04 0.04 1.61 -7.23 -1.20 -4.81 120.40 109.07 2pnl s VAL 692 Ca 0.00 0.34 0.10 0.00 -1.81 0.00 0.00 61.98 60.61 2pnl s VAL 692 Cb 0.00 -3.05 -0.19 0.00 0.56 0.00 0.00 36.38 33.70 2pnl s VAL 692 CO 0.00 -0.44 1.10 0.44 -0.31 0.00 0.00 175.10 175.89 2pnl h ASP 693 N -1.13 0.00 -2.78 4.85 3.32 -0.74 -3.46 116.42 116.48 2pnl h ASP 693 Ca -0.47 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.40 2pnl h ASP 693 Cb 1.27 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.51 2pnl h ASP 693 CO 0.59 0.94 -0.48 -1.61 -1.72 0.00 0.00 179.24 176.95 2pnl s GLU 694 N -2.71 0.20 0.13 3.56 2.02 -1.12 -4.99 118.70 115.80 2pnl s GLU 694 Ca -0.00 0.83 -0.20 0.00 0.02 0.00 0.00 54.97 55.61 2pnl s GLU 694 Cb 0.09 0.07 -0.07 0.00 0.10 0.00 0.00 34.13 34.32 2pnl s GLU 694 CO 0.81 -0.27 0.64 -1.21 0.02 0.00 0.00 175.26 175.25 2pnl s GLU 695 N 2.42 4.25 -0.15 1.61 2.02 -1.26 -3.35 118.70 124.24 2pnl s GLU 695 Ca -0.00 0.81 -0.01 0.00 0.02 0.00 0.00 54.97 55.79 2pnl s GLU 695 Cb -0.12 -3.12 0.04 0.00 0.10 0.00 0.00 34.13 31.03 2pnl s GLU 695 CO -0.10 0.55 -0.06 0.14 0.02 0.00 0.00 175.26 175.82 2pnl s VAL 696 N -1.26 1.07 0.27 2.63 -7.23 -0.84 -4.95 120.40 110.08 2pnl s VAL 696 Ca 0.35 -0.54 0.29 0.00 -1.81 0.00 0.00 61.98 60.26 2pnl s VAL 696 Cb -0.19 -1.22 0.31 0.00 0.56 0.00 0.00 36.38 35.84 2pnl s VAL 696 CO 0.21 0.18 1.99 0.08 -0.31 0.00 0.00 175.10 177.24 2pnl h ARG 697 N 8.14 0.00 -3.24 4.82 -0.00 -1.96 -3.35 114.38 118.79 2pnl h ARG 697 Ca -0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.71 2pnl h ARG 697 Cb 1.12 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 31.04 2pnl h ARG 697 CO 0.40 0.12 0.14 0.54 -0.00 0.00 0.00 179.97 181.17 2pnl s ASN 698 N -5.99 -0.02 0.50 0.08 2.20 -1.26 -4.18 114.94 106.27 2pnl s ASN 698 Ca -0.01 -0.94 0.25 0.00 -0.94 0.00 0.00 52.86 51.23 2pnl s ASN 698 Cb 0.11 0.74 1.35 0.00 -2.00 0.00 0.00 41.25 41.44 2pnl s ASN 698 CO 0.58 -1.42 2.04 0.71 -2.94 0.00 0.00 177.10 176.07 2pnl h THR 699 N 2.06 0.64 -0.45 0.54 1.35 -1.64 -2.86 112.91 112.55 2pnl h THR 699 Ca -0.26 -0.61 0.01 0.00 -0.55 0.00 0.00 66.41 65.00 2pnl h THR 699 Cb 1.25 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 69.03 2pnl h THR 699 CO 0.33 0.14 0.29 -1.28 -0.25 0.00 0.00 175.52 174.75 2pnl h SER 700 N 0.00 0.49 0.28 5.36 0.87 -1.96 -1.61 113.55 116.99 2pnl h SER 700 Ca -0.00 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.39 2pnl h SER 700 Cb 0.38 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2pnl h SER 700 CO 0.02 0.36 -0.63 -0.07 -0.53 0.00 0.00 176.83 175.98 2pnl h LEU 701 N 0.59 0.38 -0.14 2.23 3.38 -1.91 -2.12 115.31 117.73 2pnl h LEU 701 Ca 0.17 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2pnl h LEU 701 Cb -0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2pnl h LEU 701 CO -0.05 0.91 -0.05 0.00 0.09 0.00 0.00 178.44 179.34 2pnl h ALA 702 N 1.09 0.07 -0.61 1.53 0.00 -1.48 0.27 119.26 120.13 2pnl h ALA 702 Ca -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2pnl h ALA 702 Cb 1.16 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2pnl h ALA 702 CO 0.10 -0.50 0.25 0.00 0.00 0.00 0.00 179.25 179.11 2pnl h ALA 703 N 1.10 0.80 -0.17 0.00 0.00 -1.18 0.74 119.26 120.55 2pnl h ALA 703 Ca 0.07 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2pnl h ALA 703 Cb 0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2pnl h ALA 703 CO -0.16 0.40 -0.13 1.25 0.00 0.00 0.00 179.25 180.62 2pnl h HIS 704 N 0.85 -0.31 -0.89 0.00 6.17 -1.31 -1.34 115.15 118.32 2pnl h HIS 704 Ca 0.21 0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.37 2pnl h HIS 704 Cb 0.19 0.17 -0.06 0.00 2.52 0.00 0.00 27.41 30.23 2pnl h HIS 704 CO 0.01 -0.19 0.58 1.25 0.71 0.00 0.00 177.93 180.29 2pnl h LEU 705 N -0.13 0.89 -0.77 0.26 6.46 0.19 -0.67 115.31 121.54 2pnl h LEU 705 Ca 0.10 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 2pnl h LEU 705 Cb 0.29 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 2pnl h LEU 705 CO -0.25 0.58 0.37 0.40 -0.62 0.00 0.00 178.44 178.91 2pnl h ILE 706 N 1.01 1.25 -0.36 4.05 2.04 -0.61 -0.71 117.51 124.17 2pnl h ILE 706 Ca 0.38 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 2pnl h ILE 706 Cb 0.19 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2pnl h ILE 706 CO -0.14 0.29 0.09 1.56 0.00 0.00 0.00 178.15 179.95 2pnl h GLN 707 N 1.08 0.58 0.00 2.37 1.08 -0.09 -2.97 115.11 117.16 2pnl h GLN 707 Ca 0.26 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 2pnl h GLN 707 Cb 0.12 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2pnl h GLN 707 CO -0.03 0.62 -0.16 1.79 -0.95 0.00 0.00 178.83 180.10 2pnl h THR 708 N 0.44 0.34 0.00 -0.54 1.35 -1.11 -3.47 112.91 109.91 2pnl h THR 708 Ca 0.11 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 2pnl h THR 708 Cb 0.30 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2pnl h THR 708 CO 0.00 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 2pnl n GLY 709 N 0.49 0.87 3.48 5.82 0.00 -0.28 -4.90 105.19 110.67 2pnl n GLY 709 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 1.35 -0.03 2.61 -4.23 -1.26 -4.94 115.64 109.14 2pnl s THR 710 Ca 0.00 -2.01 -0.30 0.00 -1.18 0.00 0.00 61.69 58.20 2pnl s THR 710 Cb 0.00 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 2pnl s THR 710 CO 0.00 -0.02 1.15 -0.22 -0.54 0.00 0.00 174.62 175.00 2pnl s LEU 711 N -3.52 4.30 0.41 4.79 0.20 -1.26 -4.91 118.68 118.69 2pnl s LEU 711 Ca 0.36 1.80 -0.25 0.00 0.69 0.00 0.00 54.13 56.73 2pnl s LEU 711 Cb 0.09 -3.56 -0.10 0.00 -0.43 0.00 0.00 46.19 42.18 2pnl s LEU 711 CO 0.16 -0.51 1.17 -2.65 -0.29 0.00 0.00 176.35 174.23 2pnl n PRO 712 N 4.76 1.72 -4.34 0.98 -0.02 -1.26 -5.00 135.00 131.84 2pnl n PRO 712 Ca 0.10 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 2pnl n PRO 712 Cb 0.47 -2.24 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 2pnl n PRO 712 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pnl s VAL 713 N -1.21 4.07 -0.19 -1.45 0.11 -1.26 -5.11 120.40 115.37 2pnl s VAL 713 Ca 0.61 -0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 59.05 2pnl s VAL 713 Cb -0.54 -2.79 -0.01 0.00 -1.53 0.00 0.00 36.38 31.51 2pnl s VAL 713 CO 0.58 0.41 -0.07 -1.10 -3.33 0.00 0.00 175.10 171.60 2pnl s GLN 714 N -1.43 3.43 -0.25 1.54 -0.21 -1.26 -5.10 119.66 116.39 2pnl s GLN 714 Ca 0.18 -0.62 -0.02 0.00 0.02 0.00 0.00 55.36 54.91 2pnl s GLN 714 Cb -0.11 -2.89 0.08 0.00 1.00 0.00 0.00 33.01 31.08 2pnl s GLN 714 CO 0.08 -0.02 0.07 1.03 -2.12 0.00 0.00 175.29 174.34 2pnl s ARG 715 N 0.99 0.63 0.00 2.91 0.52 -1.26 -5.34 118.95 117.40 2pnl s ARG 715 Ca -0.00 -0.66 0.27 0.00 -0.52 0.00 0.00 55.73 54.82 2pnl s ARG 715 Cb -0.15 -1.96 0.92 0.00 0.52 0.00 0.00 34.95 34.28 2pnl s ARG 715 CO -0.00 -0.80 1.67 0.00 0.02 0.00 0.00 175.30 176.18