#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 2.92 0.11 1.61 2.20 -1.03 -4.81 119.74 120.75 2pnl s LYS 515 Ca 0.00 -0.60 -0.36 0.00 -0.36 0.00 0.00 55.97 54.65 2pnl s LYS 515 Cb 0.00 -2.59 -0.17 0.00 -1.51 0.00 0.00 37.83 33.57 2pnl s LYS 515 CO 0.00 0.52 1.26 0.34 -0.36 0.00 0.00 175.35 177.11 2pnl n PHE 516 N 2.65 1.38 -3.81 4.03 -0.00 -1.26 -2.34 117.46 118.11 2pnl n PHE 516 Ca -0.18 0.68 -0.29 0.00 -0.00 0.00 0.00 57.45 57.66 2pnl n PHE 516 Cb 0.53 -2.30 -0.16 0.00 -0.00 0.00 0.00 39.48 37.55 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 0.29 3.31 0.29 -2.13 0.15 -0.48 -4.82 113.70 110.31 2pnl s SER 517 Ca 0.81 -1.00 0.03 0.00 0.70 0.00 0.00 55.95 56.49 2pnl s SER 517 Cb -0.94 -0.82 0.46 0.00 -1.71 0.00 0.00 66.02 63.01 2pnl s SER 517 CO 0.49 -0.29 1.76 -0.09 1.20 0.00 0.00 173.24 176.31 2pnl h ARG 518 N 8.13 0.50 0.42 5.44 2.43 -1.92 -2.07 114.38 127.31 2pnl h ARG 518 Ca -0.16 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 2pnl h ARG 518 Cb 1.10 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2pnl h ARG 518 CO 0.37 0.66 -0.20 0.00 -1.51 0.00 0.00 179.97 179.29 2pnl h ALA 519 N 1.35 -0.56 -0.80 2.80 0.00 -1.99 -1.53 119.26 118.54 2pnl h ALA 519 Ca 0.07 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2pnl h ALA 519 Cb 0.58 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 2pnl h ALA 519 CO 0.04 -0.74 0.45 1.25 0.00 0.00 0.00 179.25 180.24 2pnl h LEU 520 N -0.70 0.63 0.53 0.00 5.85 -1.95 -1.30 115.31 118.37 2pnl h LEU 520 Ca -0.06 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2pnl h LEU 520 Cb 0.50 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.47 2pnl h LEU 520 CO 0.09 0.36 -0.25 0.50 -0.34 0.00 0.00 178.44 178.80 2pnl h LYS 521 N 0.75 -0.68 -0.88 1.25 1.63 -1.32 -1.27 116.57 116.05 2pnl h LYS 521 Ca 0.38 0.05 0.06 0.00 -0.85 0.00 0.00 60.65 60.29 2pnl h LYS 521 Cb 0.36 0.16 -0.06 0.00 -0.60 0.00 0.00 32.23 32.08 2pnl h LYS 521 CO -0.25 -0.44 0.57 -0.91 -3.45 0.00 0.00 179.45 174.97 2pnl h ASN 522 N -0.74 0.88 0.15 4.20 2.35 -1.10 -0.91 115.58 120.41 2pnl h ASN 522 Ca -0.07 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2pnl h ASN 522 Cb 0.56 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2pnl h ASN 522 CO 0.12 0.57 -0.08 -0.09 -1.65 0.00 0.00 177.43 176.30 2pnl h ARG 523 N 1.00 -0.21 0.20 0.81 2.43 -1.10 -2.20 114.38 115.31 2pnl h ARG 523 Ca 0.38 0.01 -0.32 0.00 -0.81 0.00 0.00 59.98 59.24 2pnl h ARG 523 Cb 0.20 0.05 0.04 0.00 -0.42 0.00 0.00 29.97 29.83 2pnl h ARG 523 CO -0.14 -0.14 -1.38 -0.07 -1.51 0.00 0.00 179.97 176.73 2pnl h LEU 524 N -0.21 0.87 -0.88 3.80 3.38 -1.08 -3.09 115.31 118.10 2pnl h LEU 524 Ca -0.02 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.08 2pnl h LEU 524 Cb 0.17 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2pnl h LEU 524 CO 0.03 1.68 0.00 -0.33 0.09 0.00 0.00 178.44 179.90 2pnl h GLU 525 N 0.21 0.00 -0.10 1.13 5.08 -1.26 -2.28 114.58 117.36 2pnl h GLU 525 Ca -0.23 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2pnl h GLU 525 Cb 2.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.31 2pnl h GLU 525 CO 0.26 0.00 0.10 0.66 -1.00 0.00 0.00 179.01 179.03 2pnl h SER 526 N 0.00 0.00 0.14 1.42 4.64 -1.30 -2.02 113.55 116.43 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 -0.12 0.00 -0.87 0.00 0.00 176.83 175.84 2pnl n ALA 527 N -2.38 2.81 -1.75 5.18 0.00 -0.86 -4.95 120.51 118.57 2pnl n ALA 527 Ca -0.01 -0.39 -0.37 0.00 0.00 0.00 0.00 53.44 52.67 2pnl n ALA 527 Cb 0.21 -1.19 0.04 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.27 5.19 0.35 0.00 0.02 -0.76 -4.62 114.94 112.85 2pnl s ASN 528 Ca 0.32 2.59 -0.14 0.00 -1.02 0.00 0.00 52.86 54.61 2pnl s ASN 528 Cb 0.20 -2.62 0.04 0.00 0.02 0.00 0.00 41.25 38.89 2pnl s ASN 528 CO 0.43 -1.61 0.70 -0.72 0.02 0.00 0.00 177.10 175.92 2pnl s TYR 529 N -1.42 0.27 -0.78 2.20 -0.85 -0.38 -4.98 117.35 111.42 2pnl s TYR 529 Ca 0.75 -0.81 -0.01 0.00 -0.52 0.00 0.00 57.07 56.48 2pnl s TYR 529 Cb -0.36 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.58 2pnl s TYR 529 CO 0.41 -1.40 0.57 0.39 -1.52 0.00 0.00 175.55 174.00 2pnl n GLU 530 N -0.52 -1.48 -2.53 -3.49 1.02 -1.26 -0.43 120.64 111.95 2pnl n GLU 530 Ca -0.05 0.72 -0.41 0.00 -0.02 0.00 0.00 57.16 57.39 2pnl n GLU 530 Cb 0.60 -2.09 -0.04 0.00 -0.02 0.00 0.00 31.44 29.89 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 -4.77 4.58 0.01 3.49 2.12 -1.26 -3.69 118.70 119.18 2pnl s GLU 531 Ca 0.01 1.69 0.01 0.00 0.36 0.00 0.00 54.97 57.04 2pnl s GLU 531 Cb -0.00 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 2pnl s GLU 531 CO 0.85 0.04 -0.05 0.14 -0.54 0.00 0.00 175.26 175.71 2pnl s VAL 532 N -0.02 0.33 -0.20 3.70 -7.23 -0.68 -4.98 120.40 111.32 2pnl s VAL 532 Ca 0.50 -0.43 -0.09 0.00 -1.81 0.00 0.00 61.98 60.15 2pnl s VAL 532 Cb -0.28 -0.33 -0.05 0.00 0.56 0.00 0.00 36.38 36.28 2pnl s VAL 532 CO 0.33 -0.08 0.11 -0.70 -0.31 0.00 0.00 175.10 174.45 2pnl s GLU 533 N -0.55 4.05 0.21 4.82 2.12 -1.26 -0.82 118.70 127.27 2pnl s GLU 533 Ca -0.03 -0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.09 2pnl s GLU 533 Cb -0.04 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2pnl s GLU 533 CO -0.00 0.22 0.03 -0.51 -0.54 0.00 0.00 175.26 174.46 2pnl s LEU 534 N 0.56 3.36 1.03 2.70 1.43 0.20 -4.95 118.68 123.01 2pnl s LEU 534 Ca 0.06 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 2pnl s LEU 534 Cb -0.12 -1.96 0.21 0.00 0.03 0.00 0.00 46.19 44.34 2pnl s LEU 534 CO 0.00 0.05 1.07 -2.84 0.23 0.00 0.00 176.35 174.87 2pnl s PRO 535 N -3.25 0.15 0.19 1.29 0.02 -1.26 -1.37 135.00 130.76 2pnl s PRO 535 Ca 0.29 0.88 -0.32 0.00 0.02 0.00 0.00 61.00 61.88 2pnl s PRO 535 Cb -0.08 -1.68 -0.11 0.00 0.02 0.00 0.00 34.50 32.65 2pnl s PRO 535 CO 0.20 -3.02 1.71 -2.14 -0.33 0.00 0.00 177.00 173.42 2pnl s PRO 536 N -4.70 4.14 0.49 5.54 0.02 -1.26 -4.39 135.00 134.85 2pnl s PRO 536 Ca 0.66 2.56 -0.22 0.00 0.02 0.00 0.00 61.00 64.03 2pnl s PRO 536 Cb -0.22 -3.16 -0.07 0.00 0.02 0.00 0.00 34.50 31.08 2pnl s PRO 536 CO 0.60 -0.74 1.16 -1.25 -0.33 0.00 0.00 177.00 176.45 2pnl s PRO 537 N 1.38 3.62 0.54 5.54 0.04 -1.26 -4.90 135.00 139.95 2pnl s PRO 537 Ca 0.75 1.75 0.29 0.00 0.04 0.00 0.00 61.00 63.83 2pnl s PRO 537 Cb -0.48 -2.29 1.53 0.00 0.04 0.00 0.00 34.50 33.30 2pnl s PRO 537 CO 0.32 -0.66 2.10 0.66 0.04 0.00 0.00 177.00 179.46 2pnl h SER 538 N 1.79 0.00 -5.18 6.66 4.64 -1.94 -3.39 113.55 116.13 2pnl h SER 538 Ca -0.50 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 60.96 2pnl h SER 538 Cb 1.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.27 2pnl h SER 538 CO 0.59 0.10 0.39 -1.59 -0.87 0.00 0.00 176.83 175.45 2pnl s LYS 539 N -4.19 1.39 0.00 4.77 -2.85 -1.26 -0.02 119.74 117.58 2pnl s LYS 539 Ca -0.03 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.18 2pnl s LYS 539 Cb 0.13 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 2pnl s LYS 539 CO 0.57 -0.64 0.00 0.41 0.10 0.00 0.00 175.35 175.79 2pnl n GLY 540 N -0.46 -0.46 3.25 0.59 0.00 -1.12 -4.17 105.19 102.82 2pnl n GLY 540 Ca -0.06 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 0.04 -0.13 1.61 0.11 -0.89 -4.24 120.40 114.90 2pnl s VAL 541 Ca 0.00 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 2pnl s VAL 541 Cb 0.00 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 2pnl s VAL 541 CO 0.00 -0.16 -0.14 -0.63 -3.33 0.00 0.00 175.10 170.84 2pnl s ILE 542 N -0.80 2.96 0.18 7.04 1.01 -1.26 -0.60 121.20 129.74 2pnl s ILE 542 Ca -0.09 -0.69 0.10 0.00 0.00 0.00 0.00 60.65 59.97 2pnl s ILE 542 Cb -0.04 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 2pnl s ILE 542 CO 0.03 0.53 -0.20 0.68 0.00 0.00 0.00 174.94 175.98 2pnl s VAL 543 N 0.38 2.03 0.20 2.92 -7.23 -0.41 -1.54 120.40 116.74 2pnl s VAL 543 Ca -0.11 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 57.95 2pnl s VAL 543 Cb -0.16 -1.97 -0.07 0.00 0.56 0.00 0.00 36.38 34.74 2pnl s VAL 543 CO 0.06 -0.27 0.54 -2.16 -0.31 0.00 0.00 175.10 172.95 2pnl s PRO 544 N -2.84 3.83 -0.03 4.82 0.04 -1.26 -0.48 135.00 139.08 2pnl s PRO 544 Ca 0.19 0.30 0.06 0.00 0.04 0.00 0.00 61.00 61.58 2pnl s PRO 544 Cb -0.06 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 2pnl s PRO 544 CO 0.08 0.36 -0.20 0.08 0.04 0.00 0.00 177.00 177.37 2pnl s VAL 545 N -1.72 1.63 -0.23 -0.36 1.01 0.37 -4.90 120.40 116.19 2pnl s VAL 545 Ca 0.45 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 2pnl s VAL 545 Cb -0.12 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2pnl s VAL 545 CO 0.21 0.46 0.12 -0.69 0.00 0.00 0.00 175.10 175.20 2pnl s VAL 546 N -0.23 5.06 -0.17 2.92 1.01 -1.26 -1.15 120.40 126.58 2pnl s VAL 546 Ca 0.01 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 2pnl s VAL 546 Cb -0.10 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2pnl s VAL 546 CO 0.01 0.37 0.06 -1.00 0.00 0.00 0.00 175.10 174.54 2pnl s HIS 547 N 0.98 3.26 0.07 5.22 3.76 0.12 -4.96 115.29 123.75 2pnl s HIS 547 Ca 0.06 0.10 0.02 0.00 -0.15 0.00 0.00 55.06 55.09 2pnl s HIS 547 Cb -0.14 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.47 2pnl s HIS 547 CO 0.03 0.20 -0.08 0.95 -0.85 0.00 0.00 174.74 175.00 2pnl s THR 548 N 0.22 0.66 -0.01 1.30 -4.23 -1.26 -3.08 115.64 109.23 2pnl s THR 548 Ca 0.04 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.03 2pnl s THR 548 Cb -0.12 -1.20 -0.00 0.00 1.34 0.00 0.00 72.50 72.51 2pnl s THR 548 CO 0.00 -0.63 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.67 2pnl s VAL 549 N -2.56 0.78 0.32 2.29 1.01 -1.26 -5.06 120.40 115.92 2pnl s VAL 549 Ca 0.02 -0.40 0.16 0.00 0.00 0.00 0.00 61.98 61.76 2pnl s VAL 549 Cb -0.02 -0.67 0.12 0.00 0.00 0.00 0.00 36.38 35.81 2pnl s VAL 549 CO -0.02 0.23 1.81 0.07 0.00 0.00 0.00 175.10 177.19 2pnl h LYS 550 N 6.05 0.00 0.00 2.72 -0.00 -2.01 -2.27 116.57 121.06 2pnl h LYS 550 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.33 2pnl h LYS 550 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.40 2pnl h LYS 550 CO 0.49 0.36 0.00 -1.13 -0.00 0.00 0.00 179.45 179.18 2pnl n SER 551 N -3.86 0.00 -3.33 7.07 3.41 -1.26 -4.10 113.62 111.54 2pnl n SER 551 Ca -0.01 0.37 -0.27 0.00 -0.26 0.00 0.00 58.87 58.70 2pnl n SER 551 Cb 0.43 -0.45 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.45 4.03 -1.76 7.33 0.00 -0.86 -5.10 120.51 122.71 2pnl n ALA 552 Ca 0.07 -4.66 -0.39 0.00 0.00 0.00 0.00 53.44 48.46 2pnl n ALA 552 Cb 0.26 -0.87 0.01 0.00 0.00 0.00 0.00 19.45 18.84 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 -2.54 3.76 -1.59 0.00 0.04 -1.26 -2.67 135.00 130.74 2pnl s PRO 553 Ca 0.41 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2pnl s PRO 553 Cb 0.17 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2pnl s PRO 553 CO -0.04 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.74 2pnl n GLY 554 N 0.63 1.51 3.39 0.56 0.00 -1.26 -5.01 105.19 105.00 2pnl n GLY 554 Ca 0.05 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.22 1.79 0.15 1.61 2.02 -1.09 -2.46 118.70 117.49 2pnl s GLU 555 Ca 0.00 -1.13 -0.24 0.00 0.02 0.00 0.00 54.97 53.62 2pnl s GLU 555 Cb 0.00 -2.02 0.07 0.00 0.10 0.00 0.00 34.13 32.28 2pnl s GLU 555 CO 0.00 0.50 0.63 0.00 0.02 0.00 0.00 175.26 176.41 2pnl s ALA 556 N -0.90 -1.62 0.20 5.21 0.00 -0.99 -4.69 121.76 118.97 2pnl s ALA 556 Ca 0.13 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 2pnl s ALA 556 Cb -0.10 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.89 2pnl s ALA 556 CO 0.04 -0.77 0.51 -0.59 0.00 0.00 0.00 175.76 174.96 2pnl s PHE 557 N -3.69 -0.04 0.30 0.00 -0.12 -1.18 -1.38 117.98 111.87 2pnl s PHE 557 Ca 0.01 -0.32 0.11 0.00 -0.05 0.00 0.00 56.93 56.69 2pnl s PHE 557 Cb -0.01 0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 42.68 2pnl s PHE 557 CO -0.12 -0.93 -0.12 0.20 -0.05 0.00 0.00 175.22 174.20 2pnl s GLY 558 N -2.90 1.92 0.30 1.99 0.00 -1.26 -0.70 107.32 106.68 2pnl s GLY 558 Ca 0.11 -1.88 -0.02 0.00 0.00 0.00 0.00 44.72 42.92 2pnl s GLY 558 CO -0.01 -1.93 0.39 -1.35 0.00 0.00 0.00 173.10 170.20 2pnl s SER 559 N -3.58 0.76 0.05 1.64 1.04 -0.30 -4.72 113.70 108.58 2pnl s SER 559 Ca 0.31 -1.43 0.04 0.00 0.48 0.00 0.00 55.95 55.36 2pnl s SER 559 Cb -0.03 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 2pnl s SER 559 CO 0.17 -1.16 -0.05 -0.76 0.98 0.00 0.00 173.24 172.41 2pnl s LEU 560 N -3.21 3.23 -0.03 2.42 1.43 -1.26 -0.48 118.68 120.78 2pnl s LEU 560 Ca 0.32 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 2pnl s LEU 560 Cb 0.01 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 2pnl s LEU 560 CO 0.18 0.23 -0.22 0.00 0.23 0.00 0.00 176.35 176.77 2pnl s ALA 561 N -1.12 1.90 -0.10 4.21 0.00 0.37 -0.87 121.76 126.14 2pnl s ALA 561 Ca 0.20 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2pnl s ALA 561 Cb -0.11 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 2pnl s ALA 561 CO 0.12 0.43 -0.11 -1.50 0.00 0.00 0.00 175.76 174.70 2pnl s ILE 562 N -0.40 3.30 -0.26 0.00 2.07 -0.19 -1.29 121.20 124.43 2pnl s ILE 562 Ca 0.05 -0.60 -0.06 0.00 -1.41 0.00 0.00 60.65 58.63 2pnl s ILE 562 Cb -0.10 -2.37 -0.01 0.00 0.13 0.00 0.00 42.46 40.12 2pnl s ILE 562 CO 0.00 0.55 0.03 -0.63 -1.91 0.00 0.00 174.94 172.98 2pnl s ILE 563 N -0.12 3.80 0.17 2.00 1.01 0.24 -0.79 121.20 127.51 2pnl s ILE 563 Ca -0.00 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.21 2pnl s ILE 563 Cb -0.13 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2pnl s ILE 563 CO 0.03 0.26 -0.16 0.27 0.00 0.00 0.00 174.94 175.35 2pnl s ILE 564 N 1.51 1.66 0.49 2.92 -4.36 -0.44 -2.10 121.20 120.87 2pnl s ILE 564 Ca 0.04 -1.99 -0.23 0.00 -0.26 0.00 0.00 60.65 58.22 2pnl s ILE 564 Cb -0.16 -1.85 -0.07 0.00 1.25 0.00 0.00 42.46 41.64 2pnl s ILE 564 CO 0.01 -0.46 1.24 -2.84 0.24 0.00 0.00 174.94 173.13 2pnl s PRO 565 N -3.11 3.55 0.00 0.37 0.02 -1.26 -1.06 135.00 133.52 2pnl s PRO 565 Ca 0.17 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.15 2pnl s PRO 565 Cb -0.03 -2.38 0.00 0.00 0.02 0.00 0.00 34.50 32.11 2pnl s PRO 565 CO 0.06 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 2pnl n GLY 566 N 0.56 2.33 3.30 0.52 0.00 0.50 -4.78 105.19 107.62 2pnl n GLY 566 Ca 0.08 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.60 3.00 -0.32 1.61 2.02 -1.26 -2.44 118.70 118.71 2pnl s GLU 567 Ca 0.00 -0.90 0.14 0.00 0.02 0.00 0.00 54.97 54.23 2pnl s GLU 567 Cb 0.00 -3.24 0.47 0.00 0.10 0.00 0.00 34.13 31.45 2pnl s GLU 567 CO 0.00 -0.43 1.10 0.66 0.02 0.00 0.00 175.26 176.61 2pnl n TYR 568 N 4.80 2.12 0.25 1.61 4.01 -1.26 -4.91 117.16 123.77 2pnl n TYR 568 Ca -0.15 -2.53 0.08 0.00 -0.16 0.00 0.00 57.90 55.14 2pnl n TYR 568 Cb 0.48 -0.26 0.61 0.00 -0.31 0.00 0.00 39.34 39.85 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 2.57 0.00 0.00 -0.72 0.13 -1.95 0.10 132.00 132.14 2pnl h PRO 569 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2pnl h PRO 569 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2pnl h PRO 569 CO 0.56 0.11 0.00 1.05 -0.23 0.00 0.00 178.00 179.49 2pnl h GLU 570 N 0.00 0.00 -0.01 0.86 9.09 -1.98 -2.16 114.58 120.38 2pnl h GLU 570 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2pnl h GLU 570 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 2pnl h GLU 570 CO 0.01 0.00 -0.32 1.28 0.05 0.00 0.00 179.01 180.04 2pnl n LEU 571 N -2.42 0.97 -4.83 3.06 4.77 0.36 -4.88 117.00 114.03 2pnl n LEU 571 Ca -0.00 -0.24 -0.34 0.00 -0.03 0.00 0.00 56.01 55.40 2pnl n LEU 571 Cb 0.14 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2pnl n LEU 571 CO 0.16 0.19 -0.21 -0.76 -1.33 0.00 0.00 177.39 175.44 2pnl s LEU 572 N -2.60 4.09 0.45 2.23 1.43 -0.82 -4.52 118.68 118.95 2pnl s LEU 572 Ca 0.21 0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.35 2pnl s LEU 572 Cb 0.19 -2.30 -0.11 0.00 0.03 0.00 0.00 46.19 44.00 2pnl s LEU 572 CO 0.56 0.30 0.73 -0.67 0.23 0.00 0.00 176.35 177.50 2pnl n ASP 573 N 1.33 -0.06 0.27 2.29 2.03 -1.26 -4.81 116.55 116.33 2pnl n ASP 573 Ca -0.14 0.93 0.11 0.00 0.52 0.00 0.00 54.79 56.20 2pnl n ASP 573 Cb 0.53 -1.22 0.73 0.00 -0.72 0.00 0.00 41.12 40.44 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 0.97 1.77 0.00 -1.67 0.00 -1.92 -0.65 119.26 117.75 2pnl h ALA 574 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2pnl h ALA 574 Cb 1.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2pnl h ALA 574 CO 0.53 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.90 2pnl n ASN 575 N -4.23 0.45 -0.34 0.00 4.13 -1.26 -2.50 115.26 111.51 2pnl n ASN 575 Ca -0.03 0.64 0.06 0.00 1.68 0.00 0.00 54.58 56.93 2pnl n ASN 575 Cb 0.11 -0.73 0.02 0.00 -1.54 0.00 0.00 39.78 37.64 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 -2.03 1.47 -1.47 3.52 6.02 -0.26 -3.66 117.38 120.98 2pnl n GLN 576 Ca 0.01 -0.86 -0.41 0.00 -0.01 0.00 0.00 57.00 55.74 2pnl n GLN 576 Cb 0.14 -1.16 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 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 0.12 2.57 -4.61 -1.09 6.02 -1.04 -3.29 117.38 116.06 2pnl n GLN 577 Ca 0.05 -2.28 -0.23 0.00 -0.01 0.00 0.00 57.00 54.53 2pnl n GLN 577 Cb 0.26 -3.08 -0.14 0.00 1.02 0.00 0.00 30.24 28.29 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 3.54 1.34 -0.22 5.09 1.01 -1.26 -5.00 120.40 124.90 2pnl s VAL 578 Ca 0.52 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2pnl s VAL 578 Cb 0.14 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.40 2pnl s VAL 578 CO -0.03 0.21 -0.14 -0.22 0.00 0.00 0.00 175.10 174.92 2pnl s LEU 579 N -0.83 2.75 0.20 3.92 2.96 -1.26 -0.47 118.68 125.94 2pnl s LEU 579 Ca 0.05 -0.88 0.05 0.00 -0.22 0.00 0.00 54.13 53.12 2pnl s LEU 579 Cb -0.07 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2pnl s LEU 579 CO 0.01 -0.08 0.26 -0.44 -1.32 0.00 0.00 176.35 174.77 2pnl s SER 580 N 1.26 6.00 0.00 3.68 0.01 -0.49 -4.94 113.70 119.22 2pnl s SER 580 Ca 0.00 0.00 0.06 0.00 1.31 0.00 0.00 55.95 57.32 2pnl s SER 580 Cb -0.16 -1.70 -0.02 0.00 0.21 0.00 0.00 66.02 64.36 2pnl s SER 580 CO -0.09 0.01 -0.18 -1.00 0.41 0.00 0.00 173.24 172.39 2pnl s HIS 581 N -1.88 1.61 0.81 2.43 0.09 -1.26 0.55 115.29 117.64 2pnl s HIS 581 Ca 0.33 -0.32 -0.11 0.00 -0.00 0.00 0.00 55.06 54.96 2pnl s HIS 581 Cb -0.10 -1.01 0.08 0.00 -0.00 0.00 0.00 32.58 31.55 2pnl s HIS 581 CO 0.27 0.01 1.09 -0.06 -0.00 0.00 0.00 174.74 176.04 2pnl s PHE 582 N -0.55 2.61 0.87 1.40 0.40 -0.72 -0.61 117.98 121.38 2pnl s PHE 582 Ca 0.07 1.38 -0.11 0.00 -0.60 0.00 0.00 56.93 57.66 2pnl s PHE 582 Cb -0.07 -3.07 0.12 0.00 0.51 0.00 0.00 43.02 40.51 2pnl s PHE 582 CO 0.00 -1.91 1.15 0.00 0.70 0.00 0.00 175.22 175.16 2pnl s ALA 583 N -2.97 1.65 0.00 5.36 0.00 -0.15 -4.38 121.76 121.27 2pnl s ALA 583 Ca 0.61 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2pnl s ALA 583 Cb -0.17 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2pnl s ALA 583 CO 0.56 -2.53 0.00 0.09 0.00 0.00 0.00 175.76 173.88 2pnl n ASN 584 N -3.96 0.00 -3.24 0.00 3.02 -1.26 -3.48 115.26 106.33 2pnl n ASN 584 Ca 0.12 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.42 2pnl n ASN 584 Cb 0.52 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.62 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 1.74 2.25 -0.35 6.41 4.64 -1.26 -4.86 116.55 125.13 2pnl n ASP 585 Ca 0.00 -3.16 0.08 0.00 -1.38 0.00 0.00 54.79 50.33 2pnl n ASP 585 Cb 0.00 -0.64 0.17 0.00 -1.04 0.00 0.00 41.12 39.62 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 0.81 2.04 0.00 5.18 -2.24 -1.23 -4.94 114.28 113.91 2pnl n THR 586 Ca 0.26 -2.42 0.00 0.00 -2.27 0.00 0.00 64.05 59.62 2pnl n THR 586 Cb 0.48 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.23 1.27 3.21 3.38 0.00 -1.26 -0.89 105.19 109.67 2pnl n GLY 587 Ca 0.18 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 0.19 -0.08 1.61 0.01 -1.26 -1.76 113.70 112.41 2pnl s SER 588 Ca 0.00 -0.87 -0.02 0.00 1.31 0.00 0.00 55.95 56.37 2pnl s SER 588 Cb 0.00 0.34 0.04 0.00 0.21 0.00 0.00 66.02 66.60 2pnl s SER 588 CO 0.00 -0.75 0.04 -0.69 0.41 0.00 0.00 173.24 172.24 2pnl s VAL 589 N -3.93 0.17 0.28 3.43 1.01 0.19 -1.85 120.40 119.70 2pnl s VAL 589 Ca 0.12 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 2pnl s VAL 589 Cb 0.05 -0.46 -0.10 0.00 0.00 0.00 0.00 36.38 35.88 2pnl s VAL 589 CO -0.05 0.12 1.28 0.26 0.00 0.00 0.00 175.10 176.71 2pnl s TRP 590 N 2.05 3.19 0.00 5.22 0.52 -0.47 -1.40 118.94 128.05 2pnl s TRP 590 Ca 0.04 1.38 0.00 0.00 0.02 0.00 0.00 56.10 57.54 2pnl s TRP 590 Cb -0.13 -3.60 0.00 0.00 -1.15 0.00 0.00 33.47 28.59 2pnl s TRP 590 CO -0.05 -1.71 0.00 0.41 0.02 0.00 0.00 176.95 175.62 2pnl n GLY 591 N 1.42 0.59 3.63 0.98 0.00 0.38 -0.27 105.19 111.92 2pnl n GLY 591 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2pnl n GLY 591 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2pnl s ILE 592 N -2.36 3.95 -0.52 -0.61 -4.36 -1.25 -2.28 121.20 113.77 2pnl s ILE 592 Ca 0.00 -0.51 0.23 0.00 -0.26 0.00 0.00 60.65 60.11 2pnl s ILE 592 Cb 0.00 -2.68 -0.06 0.00 1.25 0.00 0.00 42.46 40.97 2pnl s ILE 592 CO 0.00 0.50 1.08 0.61 0.24 0.00 0.00 174.94 177.38 2pnl n GLY 593 N 1.86 -1.30 3.22 6.27 0.00 0.60 -3.62 105.19 112.22 2pnl n GLY 593 Ca -0.17 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.23 0.94 0.71 1.61 2.02 -1.26 -4.96 118.70 114.53 2pnl s GLU 594 Ca 0.03 -1.05 -0.15 0.00 0.02 0.00 0.00 54.97 53.82 2pnl s GLU 594 Cb 0.13 -1.04 0.03 0.00 0.10 0.00 0.00 34.13 33.35 2pnl s GLU 594 CO 0.78 0.23 1.19 -0.51 0.02 0.00 0.00 175.26 176.97 2pnl s ASP 595 N -1.85 4.42 -0.22 -0.19 1.01 -1.26 -4.70 116.67 113.88 2pnl s ASP 595 Ca 0.02 2.28 -0.07 0.00 0.71 0.00 0.00 52.55 55.49 2pnl s ASP 595 Cb -0.10 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 2pnl s ASP 595 CO 0.03 -2.11 0.06 -0.63 0.21 0.00 0.00 175.17 172.74 2pnl s ILE 596 N -2.04 4.50 -1.20 0.77 1.01 0.22 -4.94 121.20 119.51 2pnl s ILE 596 Ca 0.73 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.26 2pnl s ILE 596 Cb -0.27 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2pnl s ILE 596 CO 0.44 0.39 0.52 -0.81 0.00 0.00 0.00 174.94 175.49 2pnl n PRO 597 N 4.28 0.87 -4.09 2.79 -0.04 -1.26 -2.23 135.00 135.32 2pnl n PRO 597 Ca -0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 2pnl n PRO 597 Cb 0.52 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.20 0.75 0.38 0.54 -0.12 -1.26 -4.82 117.98 112.24 2pnl s PHE 598 Ca 0.00 -1.07 -0.24 0.00 -0.05 0.00 0.00 56.93 55.58 2pnl s PHE 598 Cb 0.00 -0.28 -0.10 0.00 -0.63 0.00 0.00 43.02 42.01 2pnl s PHE 598 CO 0.00 -0.69 0.97 -1.21 -0.05 0.00 0.00 175.22 174.24 2pnl s GLU 599 N -4.06 4.33 0.00 1.99 2.02 -1.26 -0.97 118.70 120.75 2pnl s GLU 599 Ca 0.27 1.30 0.00 0.00 0.02 0.00 0.00 54.97 56.56 2pnl s GLU 599 Cb 0.05 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.78 2pnl s GLU 599 CO 0.06 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.79 2pnl n GLY 600 N 0.07 1.90 2.10 -1.39 0.00 -1.25 -4.86 105.19 101.77 2pnl n GLY 600 Ca 0.05 -2.05 -0.26 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.56 5.48 -3.07 1.61 5.75 -1.22 -4.92 116.55 119.62 2pnl n ASP 601 Ca 0.00 -3.76 -0.05 0.00 -0.01 0.00 0.00 54.79 50.97 2pnl n ASP 601 Cb 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 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 -0.74 -7.57 -4.12 -1.12 5.03 -0.07 -5.02 115.26 101.65 2pnl n ASN 602 Ca 0.48 0.02 -0.23 0.00 0.87 0.00 0.00 54.58 55.72 2pnl n ASN 602 Cb 0.89 -4.98 -0.15 0.00 -1.02 0.00 0.00 39.78 34.53 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 -0.35 1.22 -0.02 0.00 2.02 -0.77 -0.37 117.35 119.08 2pnl s TYR 605 Ca 0.06 -1.11 0.01 0.00 -0.37 0.00 0.00 57.07 55.66 2pnl s TYR 605 Cb -0.06 -0.69 0.01 0.00 -0.40 0.00 0.00 41.96 40.82 2pnl s TYR 605 CO -0.01 -0.32 -0.04 0.99 -1.57 0.00 0.00 175.55 174.61 2pnl s THR 606 N -3.77 0.40 -0.31 -0.71 2.01 -0.22 -1.37 115.64 111.66 2pnl s THR 606 Ca 0.28 -0.16 -0.11 0.00 0.31 0.00 0.00 61.69 62.01 2pnl s THR 606 Cb 0.07 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 2pnl s THR 606 CO 0.06 0.14 0.20 0.00 -0.69 0.00 0.00 174.62 174.33 2pnl s ALA 607 N 0.25 3.44 -0.01 7.40 0.00 0.62 -1.33 121.76 132.14 2pnl s ALA 607 Ca -0.03 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.71 2pnl s ALA 607 Cb -0.06 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 2pnl s ALA 607 CO -0.00 -0.81 -0.20 -0.51 0.00 0.00 0.00 175.76 174.23 2pnl s LEU 608 N 1.70 2.05 -0.05 0.00 1.43 0.03 -4.62 118.68 119.23 2pnl s LEU 608 Ca 0.06 -0.38 -0.34 0.00 -1.03 0.00 0.00 54.13 52.44 2pnl s LEU 608 Cb -0.17 -1.01 -0.12 0.00 0.03 0.00 0.00 46.19 44.92 2pnl s LEU 608 CO 0.09 0.23 1.84 -2.65 0.23 0.00 0.00 176.35 176.09 2pnl n PRO 609 N 2.50 2.18 -3.24 1.29 -0.02 -1.26 -1.02 135.00 135.43 2pnl n PRO 609 Ca -0.15 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 2pnl n PRO 609 Cb 0.53 -2.63 -0.08 0.00 -0.02 0.00 0.00 33.50 31.30 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 3.60 4.39 -0.14 2.45 2.96 -0.05 -3.14 118.68 128.75 2pnl s LEU 610 Ca 0.91 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 54.69 2pnl s LEU 610 Cb -0.69 -2.58 -0.24 0.00 0.50 0.00 0.00 46.19 43.18 2pnl s LEU 610 CO 0.49 -0.51 0.26 1.17 -1.32 0.00 0.00 176.35 176.45 2pnl n LYS 611 N 5.77 0.73 -3.61 1.98 4.81 0.11 -4.51 118.16 123.44 2pnl n LYS 611 Ca -0.05 0.24 -0.13 0.00 -0.87 0.00 0.00 58.31 57.50 2pnl n LYS 611 Cb 0.49 -1.67 -0.07 0.00 0.02 0.00 0.00 35.03 33.80 2pnl n LYS 611 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2pnl s GLU 612 N -2.55 0.76 -0.33 1.64 2.12 -1.04 -4.98 118.70 114.33 2pnl s GLU 612 Ca -0.24 0.71 -0.09 0.00 0.36 0.00 0.00 54.97 55.71 2pnl s GLU 612 Cb 0.07 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.84 2pnl s GLU 612 CO 0.74 -0.13 0.15 0.42 -0.54 0.00 0.00 175.26 175.90 2pnl s ILE 613 N -0.02 4.37 0.87 -3.70 1.01 -1.26 -0.24 121.20 122.23 2pnl s ILE 613 Ca -0.01 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 2pnl s ILE 613 Cb -0.04 -3.32 0.11 0.00 0.01 0.00 0.00 42.46 39.23 2pnl s ILE 613 CO 0.00 -0.04 1.09 -0.54 0.00 0.00 0.00 174.94 175.46 2pnl s LYS 614 N 1.55 1.46 0.29 2.79 -0.14 0.21 -4.93 119.74 120.97 2pnl s LYS 614 Ca 0.03 0.99 -0.02 0.00 -1.36 0.00 0.00 55.97 55.61 2pnl s LYS 614 Cb -0.18 -1.82 0.44 0.00 -1.68 0.00 0.00 37.83 34.60 2pnl s LYS 614 CO 0.05 -2.15 1.94 -0.09 -0.76 0.00 0.00 175.35 174.34 2pnl h ARG 615 N -1.49 1.10 0.00 1.68 2.43 -1.99 -2.07 114.38 114.04 2pnl h ARG 615 Ca -0.48 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2pnl h ARG 615 Cb 1.27 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2pnl h ARG 615 CO 0.52 0.73 0.00 0.27 -1.51 0.00 0.00 179.97 179.98 2pnl n ASN 616 N -4.44 0.00 0.00 -3.80 0.23 -1.26 -4.86 115.26 101.13 2pnl n ASN 616 Ca 0.12 -0.94 0.00 0.00 -0.53 0.00 0.00 54.58 53.23 2pnl n ASN 616 Cb 0.09 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 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 0.58 0.94 3.61 4.83 0.00 -0.78 -4.84 105.19 109.54 2pnl n GLY 617 Ca 0.17 0.00 -0.39 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 0.94 -4.39 1.61 4.13 -1.26 -4.07 115.26 112.22 2pnl n ASN 618 Ca 0.00 0.90 -0.32 0.00 1.68 0.00 0.00 54.58 56.84 2pnl n ASN 618 Cb 0.00 -1.37 -0.14 0.00 -1.54 0.00 0.00 39.78 36.72 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 -1.43 2.63 -0.23 2.41 -4.36 -0.47 -0.62 121.20 119.12 2pnl s ILE 619 Ca 0.70 -0.88 -0.06 0.00 -0.26 0.00 0.00 60.65 60.15 2pnl s ILE 619 Cb -0.47 -2.00 -0.02 0.00 1.25 0.00 0.00 42.46 41.22 2pnl s ILE 619 CO 0.52 0.58 0.03 -0.69 0.24 0.00 0.00 174.94 175.62 2pnl s VAL 620 N -0.53 4.01 0.42 8.37 1.01 0.66 0.59 120.40 134.95 2pnl s VAL 620 Ca 0.07 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.85 2pnl s VAL 620 Cb -0.11 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2pnl s VAL 620 CO 0.01 0.37 0.26 0.68 0.00 0.00 0.00 175.10 176.42 2pnl s VAL 621 N 1.50 2.37 0.36 2.92 -7.23 -0.00 0.09 120.40 120.41 2pnl s VAL 621 Ca 0.06 -1.57 -0.09 0.00 -1.81 0.00 0.00 61.98 58.57 2pnl s VAL 621 Cb -0.15 -2.94 0.03 0.00 0.56 0.00 0.00 36.38 33.88 2pnl s VAL 621 CO 0.01 0.00 0.63 -1.83 -0.31 0.00 0.00 175.10 173.60 2pnl s GLU 622 N -4.00 2.06 -0.09 4.82 -1.05 -1.19 -1.68 118.70 117.56 2pnl s GLU 622 Ca 0.43 -1.58 -0.06 0.00 -0.15 0.00 0.00 54.97 53.60 2pnl s GLU 622 Cb 0.01 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.20 2pnl s GLU 622 CO 0.24 -0.91 0.16 0.15 0.95 0.00 0.00 175.26 175.85 2pnl s LYS 623 N -2.74 3.45 0.11 -4.83 1.02 0.42 -4.25 119.74 112.92 2pnl s LYS 623 Ca 0.23 -0.16 0.06 0.00 0.02 0.00 0.00 55.97 56.12 2pnl s LYS 623 Cb -0.03 -3.17 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 2pnl s LYS 623 CO 0.16 0.76 -0.16 0.96 -0.92 0.00 0.00 175.35 176.14 2pnl s ILE 624 N -1.09 1.41 -0.52 2.17 -4.36 -1.26 -1.25 121.20 116.29 2pnl s ILE 624 Ca 0.18 -1.58 -0.18 0.00 -0.26 0.00 0.00 60.65 58.81 2pnl s ILE 624 Cb -0.12 -1.44 0.08 0.00 1.25 0.00 0.00 42.46 42.23 2pnl s ILE 624 CO 0.07 -0.27 0.57 0.12 0.24 0.00 0.00 174.94 175.67 2pnl s PHE 625 N -1.67 3.11 -0.11 1.37 5.36 -1.26 -4.48 117.98 120.30 2pnl s PHE 625 Ca 0.06 -0.83 -0.33 0.00 -0.96 0.00 0.00 56.93 54.87 2pnl s PHE 625 Cb -0.08 -3.58 0.13 0.00 -0.34 0.00 0.00 43.02 39.15 2pnl s PHE 625 CO 0.03 -1.03 1.17 0.00 -1.46 0.00 0.00 175.22 173.93 2pnl s ALA 626 N 2.26 -2.05 1.22 11.12 0.00 -1.26 -5.08 121.76 127.97 2pnl s ALA 626 Ca 0.10 1.26 -0.16 0.00 0.00 0.00 0.00 51.96 53.16 2pnl s ALA 626 Cb -0.23 0.09 0.24 0.00 0.00 0.00 0.00 23.12 23.23 2pnl s ALA 626 CO 0.08 -0.72 0.81 0.41 0.00 0.00 0.00 175.76 176.34 2pnl n GLY 627 N -0.21 -2.89 3.80 0.00 0.00 -1.26 -4.23 105.19 100.40 2pnl n GLY 627 Ca -0.03 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 2pnl n GLY 627 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pnl s PRO 628 N -4.85 1.87 0.54 1.61 0.05 -1.24 -4.71 135.00 128.27 2pnl s PRO 628 Ca 0.54 0.54 -0.19 0.00 0.05 0.00 0.00 61.00 61.94 2pnl s PRO 628 Cb -0.06 -1.90 -0.06 0.00 0.05 0.00 0.00 34.50 32.53 2pnl s PRO 628 CO 0.42 -1.74 1.09 0.42 0.05 0.00 0.00 177.00 177.24 2pnl s ILE 629 N -3.20 3.43 0.42 0.56 1.01 -0.96 -4.68 121.20 117.78 2pnl s ILE 629 Ca 0.61 0.84 0.00 0.00 0.00 0.00 0.00 60.65 62.11 2pnl s ILE 629 Cb -0.14 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2pnl s ILE 629 CO 0.54 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.85 2pnl n GLY 631 N -0.15 -2.25 0.69 6.18 0.00 -1.26 -0.29 105.19 108.11 2pnl n GLY 631 Ca 0.10 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.05 1.91 0.00 1.61 -0.04 -1.26 -4.60 135.00 128.56 2pnl n PRO 632 Ca -0.03 -1.37 0.14 0.00 -0.04 0.00 0.00 63.50 62.20 2pnl n PRO 632 Cb 0.67 -1.42 0.56 0.00 -0.04 0.00 0.00 33.50 33.27 2pnl n PRO 632 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2pnl n SER 633 N 0.60 1.23 -0.21 3.54 7.64 -1.26 -2.03 113.62 123.12 2pnl n SER 633 Ca 0.17 -1.33 0.15 0.00 1.01 0.00 0.00 58.87 58.87 2pnl n SER 633 Cb 0.39 0.01 0.69 0.00 -1.01 0.00 0.00 64.21 64.30 2pnl n SER 633 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pnl n ALA 634 N -0.11 2.67 -0.15 -0.43 0.00 -1.26 -0.94 120.51 120.30 2pnl n ALA 634 Ca 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 2pnl n ALA 634 Cb 0.32 -1.33 0.19 0.00 0.00 0.00 0.00 19.45 18.64 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 1.05 0.87 0.52 0.00 4.20 -1.31 -1.23 115.11 119.22 2pnl h GLN 635 Ca 0.00 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 2pnl h GLN 635 Cb 0.29 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2pnl h GLN 635 CO 0.00 0.74 -0.39 1.25 -0.67 0.00 0.00 178.83 179.77 2pnl h LEU 636 N 0.84 -1.01 -0.79 1.46 5.85 -1.28 0.28 115.31 120.67 2pnl h LEU 636 Ca 0.19 0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.08 2pnl h LEU 636 Cb 0.23 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 2pnl h LEU 636 CO -0.01 -0.57 0.44 1.23 -0.34 0.00 0.00 178.44 179.18 2pnl h GLY 637 N -0.89 1.22 1.02 3.75 0.00 -1.78 -1.30 103.07 105.08 2pnl h GLY 637 Ca -0.06 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 2pnl h GLY 637 CO 0.02 0.11 0.22 1.41 0.00 0.00 0.00 176.54 178.30 2pnl h LEU 638 N 0.73 0.92 -0.48 3.11 -0.00 -0.86 0.20 115.31 118.92 2pnl h LEU 638 Ca 0.38 -0.19 -0.03 0.00 -0.00 0.00 0.00 57.88 58.04 2pnl h LEU 638 Cb 0.37 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.77 2pnl h LEU 638 CO -0.25 0.86 0.17 -1.28 -0.00 0.00 0.00 178.44 177.94 2pnl h SER 639 N 0.92 0.68 -0.78 -0.43 0.87 -0.18 -2.47 113.55 112.17 2pnl h SER 639 Ca 0.21 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2pnl h SER 639 Cb 0.26 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2pnl h SER 639 CO -0.01 0.69 0.33 -0.07 -0.53 0.00 0.00 176.83 177.24 2pnl h LEU 640 N 0.64 1.07 -0.04 2.23 3.38 -0.95 -2.44 115.31 119.19 2pnl h LEU 640 Ca 0.16 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2pnl h LEU 640 Cb 0.23 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2pnl h LEU 640 CO -0.01 0.93 -0.13 0.25 0.09 0.00 0.00 178.44 179.58 2pnl h LEU 641 N 1.14 -0.37 0.00 1.67 5.85 -0.75 0.66 115.31 123.51 2pnl h LEU 641 Ca 0.27 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2pnl h LEU 641 Cb 0.18 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2pnl h LEU 641 CO -0.03 -0.17 -0.34 -0.37 -0.34 0.00 0.00 178.44 177.19 2pnl h VAL 642 N -0.19 0.00 0.00 1.05 -1.51 -1.44 -3.35 116.25 110.81 2pnl h VAL 642 Ca 0.06 -0.97 -0.15 0.00 -1.23 0.00 0.00 66.70 64.41 2pnl h VAL 642 Cb 0.27 1.80 -0.03 0.00 -2.13 0.00 0.00 31.29 31.20 2pnl h VAL 642 CO -0.16 0.00 -1.56 0.59 -1.23 0.00 0.00 177.57 175.21 2pnl n ASN 643 N -2.92 3.06 0.00 4.19 4.13 -0.92 -4.47 115.26 118.33 2pnl n ASN 643 Ca 0.03 -0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.27 2pnl n ASN 643 Cb 0.53 0.49 0.00 0.00 -1.54 0.00 0.00 39.78 39.26 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 -2.42 4.40 -4.83 6.41 8.00 0.20 -5.03 116.55 123.28 2pnl n ASP 644 Ca -0.14 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 54.99 2pnl n ASP 644 Cb 0.75 0.73 -0.07 0.00 -0.02 0.00 0.00 41.12 42.51 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 -1.80 5.42 0.00 0.53 1.01 0.49 -4.94 121.20 121.91 2pnl s ILE 645 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.95 2pnl s ILE 645 Cb 0.00 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2pnl s ILE 645 CO 0.00 0.56 0.00 -0.62 0.00 0.00 0.00 174.94 174.88 2pnl n GLU 646 N 2.42 2.49 -3.75 2.79 1.02 -1.26 -4.81 120.64 119.54 2pnl n GLU 646 Ca -0.18 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.66 2pnl n GLU 646 Cb 0.54 -0.61 -0.14 0.00 -0.02 0.00 0.00 31.44 31.21 2pnl n GLU 646 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2pnl s ASP 647 N -1.01 3.89 0.94 1.62 3.68 -1.26 -4.65 116.67 119.88 2pnl s ASP 647 Ca 0.00 -2.24 0.00 0.00 2.13 0.00 0.00 52.55 52.44 2pnl s ASP 647 Cb 0.00 -1.03 0.00 0.00 -1.45 0.00 0.00 42.92 40.44 2pnl s ASP 647 CO 0.00 -0.33 0.00 0.61 0.13 0.00 0.00 175.17 175.58 2pnl n GLY 648 N 4.07 0.06 3.33 2.66 0.00 0.97 -4.78 105.19 111.50 2pnl n GLY 648 Ca 0.04 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 3.74 0.22 1.61 1.01 -1.26 -2.80 120.40 122.93 2pnl s VAL 649 Ca 0.00 -0.66 -0.32 0.00 0.00 0.00 0.00 61.98 61.00 2pnl s VAL 649 Cb 0.00 -2.87 -0.13 0.00 0.00 0.00 0.00 36.38 33.38 2pnl s VAL 649 CO 0.00 0.18 1.55 -2.65 0.00 0.00 0.00 175.10 174.17 2pnl n PRO 650 N 4.83 2.34 -2.71 2.72 -0.02 -1.26 -5.01 135.00 135.89 2pnl n PRO 650 Ca -0.16 0.84 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 2pnl n PRO 650 Cb 0.49 -2.58 -0.01 0.00 -0.02 0.00 0.00 33.50 31.37 2pnl n PRO 650 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2pnl s ARG 651 N 0.19 3.80 -0.08 -0.52 1.81 -1.26 -4.72 118.95 118.16 2pnl s ARG 651 Ca 0.71 -1.77 -0.03 0.00 -1.72 0.00 0.00 55.73 52.92 2pnl s ARG 651 Cb -0.60 -5.28 0.05 0.00 -0.45 0.00 0.00 34.95 28.67 2pnl s ARG 651 CO 0.43 -2.06 0.17 0.08 -0.68 0.00 0.00 175.30 173.24 2pnl s VAL 653 N 3.71 -0.18 -0.16 3.52 1.01 -0.33 -4.35 120.40 123.61 2pnl s VAL 653 Ca 0.45 0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.64 2pnl s VAL 653 Cb -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 2pnl s VAL 653 CO -0.03 0.11 0.06 -0.36 0.00 0.00 0.00 175.10 174.89 2pnl s PHE 654 N 1.83 3.29 -0.02 5.22 0.08 -0.59 0.36 117.98 128.14 2pnl s PHE 654 Ca -0.02 0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.20 2pnl s PHE 654 Cb -0.12 -2.02 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 2pnl s PHE 654 CO -0.06 0.28 -0.07 -0.08 -0.10 0.00 0.00 175.22 175.19 2pnl s THR 655 N -0.00 0.59 0.00 0.64 -1.32 -0.68 -4.12 115.64 110.75 2pnl s THR 655 Ca 0.06 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 2pnl s THR 655 Cb -0.12 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 2pnl s THR 655 CO 0.01 0.20 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 2pnl n GLY 656 N 3.35 4.32 3.79 6.08 0.00 -0.11 -4.52 105.19 118.10 2pnl n GLY 656 Ca -0.18 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.55 4.33 -0.06 1.61 2.12 -0.87 -1.02 118.70 122.27 2pnl s GLU 657 Ca 0.00 1.34 -0.01 0.00 0.36 0.00 0.00 54.97 56.66 2pnl s GLU 657 Cb 0.00 -2.54 -0.03 0.00 0.26 0.00 0.00 34.13 31.82 2pnl s GLU 657 CO 0.00 0.04 0.01 0.42 -0.54 0.00 0.00 175.26 175.19 2pnl s ILE 658 N -1.78 4.30 0.77 -3.70 -1.09 -1.26 -0.09 121.20 118.36 2pnl s ILE 658 Ca 0.56 -0.34 -0.09 0.00 -2.23 0.00 0.00 60.65 58.55 2pnl s ILE 658 Cb -0.17 -2.85 0.10 0.00 -1.58 0.00 0.00 42.46 37.96 2pnl s ILE 658 CO 0.22 0.53 1.10 0.00 -1.23 0.00 0.00 174.94 175.57 2pnl s ALA 659 N -0.95 2.94 0.58 9.38 0.00 -0.41 -4.90 121.76 128.39 2pnl s ALA 659 Ca 0.15 -1.00 0.30 0.00 0.00 0.00 0.00 51.96 51.41 2pnl s ALA 659 Cb -0.11 -2.65 1.44 0.00 0.00 0.00 0.00 23.12 21.80 2pnl s ALA 659 CO 0.05 -1.60 1.83 -0.44 0.00 0.00 0.00 175.76 175.61 2pnl h ASP 660 N -0.87 0.00 0.32 0.00 3.45 -1.98 -0.23 116.42 117.11 2pnl h ASP 660 Ca -0.44 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 2pnl h ASP 660 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 2pnl h ASP 660 CO 0.55 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.32 2pnl n ASP 661 N -3.83 0.00 -1.50 6.45 5.68 -1.26 -4.91 116.55 117.17 2pnl n ASP 661 Ca 0.13 -0.47 -0.18 0.00 -0.50 0.00 0.00 54.79 53.77 2pnl n ASP 661 Cb 0.86 -0.17 -0.07 0.00 -1.14 0.00 0.00 41.12 40.60 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 -1.17 -1.31 0.00 0.11 -0.58 -0.10 -4.75 120.64 112.84 2pnl n GLU 662 Ca 0.17 1.12 0.00 0.00 -0.42 0.00 0.00 57.16 58.03 2pnl n GLU 662 Cb 0.18 -5.43 0.00 0.00 -0.57 0.00 0.00 31.44 25.61 2pnl n GLU 662 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2pnl n GLU 663 N -2.50 0.00 -2.38 3.49 4.07 -1.26 -4.69 120.64 117.37 2pnl n GLU 663 Ca -0.19 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.50 2pnl n GLU 663 Cb 0.61 -0.32 -0.04 0.00 -0.06 0.00 0.00 31.44 31.63 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 -1.59 3.39 -0.20 6.31 2.01 -1.26 -1.18 115.64 123.13 2pnl s THR 664 Ca 0.00 1.32 -0.04 0.00 0.31 0.00 0.00 61.69 63.28 2pnl s THR 664 Cb 0.00 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 2pnl s THR 664 CO 0.00 0.28 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.54 2pnl s ILE 665 N -0.77 3.57 -0.25 1.82 1.01 -1.26 -1.29 121.20 124.03 2pnl s ILE 665 Ca 0.48 -0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.52 2pnl s ILE 665 Cb -0.33 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 2pnl s ILE 665 CO 0.41 0.44 0.46 -0.63 0.00 0.00 0.00 174.94 175.63 2pnl s ILE 666 N 1.07 5.12 0.86 2.92 1.01 0.87 -4.90 121.20 128.16 2pnl s ILE 666 Ca 0.01 0.79 -0.11 0.00 0.00 0.00 0.00 60.65 61.34 2pnl s ILE 666 Cb -0.15 -3.78 0.11 0.00 0.01 0.00 0.00 42.46 38.66 2pnl s ILE 666 CO 0.00 0.14 1.14 -2.16 0.00 0.00 0.00 174.94 174.06 2pnl s PRO 667 N 2.00 1.43 0.13 2.79 0.04 -1.26 -2.05 135.00 138.08 2pnl s PRO 667 Ca 0.20 1.48 0.02 0.00 0.04 0.00 0.00 61.00 62.74 2pnl s PRO 667 Cb -0.15 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2pnl s PRO 667 CO 0.09 -2.32 0.24 0.96 0.04 0.00 0.00 177.00 176.02 2pnl s ILE 668 N -2.64 5.17 0.43 0.56 -4.36 -1.26 -4.83 121.20 114.28 2pnl s ILE 668 Ca 0.66 -0.70 -0.14 0.00 -0.26 0.00 0.00 60.65 60.21 2pnl s ILE 668 Cb -0.22 -3.63 -0.08 0.00 1.25 0.00 0.00 42.46 39.78 2pnl s ILE 668 CO 0.56 -0.04 0.86 0.00 0.24 0.00 0.00 174.94 176.55 2pnl n GLY 670 N -1.19 0.30 0.24 0.00 0.00 -1.26 -4.94 105.19 98.34 2pnl n GLY 670 Ca 0.04 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.03 1.18 -0.81 1.61 3.04 -1.94 -1.41 116.25 116.88 2pnl h VAL 671 Ca -0.23 -0.77 -0.01 0.00 -1.01 0.00 0.00 66.70 64.68 2pnl h VAL 671 Cb 1.15 1.20 -0.04 0.00 -2.01 0.00 0.00 31.29 31.58 2pnl h VAL 671 CO 0.22 0.24 0.48 0.44 -1.01 0.00 0.00 177.57 177.95 2pnl h ASP 672 N 0.24 0.98 -0.09 3.17 3.32 -1.92 -0.05 116.42 122.07 2pnl h ASP 672 Ca 0.05 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2pnl h ASP 672 Cb 0.37 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 2pnl h ASP 672 CO 0.02 0.77 0.05 0.40 -1.72 0.00 0.00 179.24 178.76 2pnl h ILE 673 N 1.12 1.09 -0.92 0.35 1.08 -1.63 -0.54 117.51 118.05 2pnl h ILE 673 Ca 0.29 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 2pnl h ILE 673 Cb -0.03 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 2pnl h ILE 673 CO -0.05 0.08 0.55 0.00 -0.69 0.00 0.00 178.15 178.03 2pnl h ALA 674 N 0.95 1.17 -0.19 1.87 0.00 -1.28 -1.68 119.26 120.11 2pnl h ALA 674 Ca 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2pnl h ALA 674 Cb 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2pnl h ALA 674 CO -0.01 0.64 0.06 0.00 0.00 0.00 0.00 179.25 179.94 2pnl h ALA 675 N 1.30 0.25 -0.64 0.00 0.00 -0.67 -0.31 119.26 119.20 2pnl h ALA 675 Ca 0.33 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.21 2pnl h ALA 675 Cb -0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 2pnl h ALA 675 CO -0.06 -0.13 0.24 0.82 0.00 0.00 0.00 179.25 180.12 2pnl h ILE 676 N 0.14 0.76 -0.52 0.00 2.04 -0.85 0.08 117.51 119.16 2pnl h ILE 676 Ca 0.06 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 2pnl h ILE 676 Cb 0.22 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2pnl h ILE 676 CO -0.00 0.08 0.08 0.00 0.00 0.00 0.00 178.15 178.31 2pnl h ALA 677 N 1.44 0.69 -0.15 1.87 0.00 -0.64 -1.81 119.26 120.66 2pnl h ALA 677 Ca 0.32 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pnl h ALA 677 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2pnl h ALA 677 CO -0.32 0.43 0.08 0.00 0.00 0.00 0.00 179.25 179.43 2pnl h ALA 678 N 0.98 0.19 -0.08 0.00 0.00 -0.51 -3.20 119.26 116.64 2pnl h ALA 678 Ca 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2pnl h ALA 678 Cb 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2pnl h ALA 678 CO 0.01 -0.26 -0.19 0.45 0.00 0.00 0.00 179.25 179.26 2pnl h HIS 679 N 0.13 0.14 -0.83 0.00 -0.00 -0.88 -1.31 115.15 112.39 2pnl h HIS 679 Ca 0.05 -0.02 0.22 0.00 -0.00 0.00 0.00 60.37 60.62 2pnl h HIS 679 Cb 0.09 -0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 27.42 2pnl h HIS 679 CO -0.04 0.32 0.58 1.49 -0.00 0.00 0.00 177.93 180.28 2pnl h GLU 680 N 0.12 0.18 -0.34 2.45 4.81 -1.32 -0.83 114.58 119.65 2pnl h GLU 680 Ca 0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2pnl h GLU 680 Cb 0.42 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2pnl h GLU 680 CO 0.03 0.12 0.00 1.04 -0.73 0.00 0.00 179.01 179.46 2pnl n GLN 681 N -4.39 3.05 -1.78 1.92 6.02 -0.61 -4.97 117.38 116.60 2pnl n GLN 681 Ca 0.17 -2.56 -0.07 0.00 -0.01 0.00 0.00 57.00 54.54 2pnl n GLN 681 Cb 0.78 -1.65 -0.01 0.00 1.02 0.00 0.00 30.24 30.38 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 0.06 0.39 3.51 1.08 0.00 -0.32 -5.00 105.19 104.91 2pnl n GLY 682 Ca 0.18 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.76 2.82 0.43 0.99 1.43 -0.59 -4.97 118.68 117.03 2pnl s LEU 683 Ca 0.00 -0.39 -0.23 0.00 -1.03 0.00 0.00 54.13 52.48 2pnl s LEU 683 Cb 0.00 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.48 2pnl s LEU 683 CO 0.00 0.23 1.04 -2.16 0.23 0.00 0.00 176.35 175.69 2pnl s PRO 684 N -1.73 4.03 -0.16 1.29 0.04 -1.26 -3.50 135.00 133.70 2pnl s PRO 684 Ca 0.17 1.45 -0.18 0.00 0.04 0.00 0.00 61.00 62.49 2pnl s PRO 684 Cb -0.11 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 2pnl s PRO 684 CO 0.08 -0.25 0.49 -1.17 0.04 0.00 0.00 177.00 176.19 2pnl s LEU 685 N -2.96 4.21 -0.09 -3.56 2.96 -1.26 -1.18 118.68 116.79 2pnl s LEU 685 Ca 0.61 0.72 0.00 0.00 -0.22 0.00 0.00 54.13 55.25 2pnl s LEU 685 Cb -0.20 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 2pnl s LEU 685 CO 0.25 -0.09 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.48 2pnl s ILE 686 N 1.13 3.57 0.00 6.68 -1.09 0.16 0.16 121.20 131.82 2pnl s ILE 686 Ca 0.24 -0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 2pnl s ILE 686 Cb -0.15 -2.48 0.00 0.00 -1.58 0.00 0.00 42.46 38.25 2pnl s ILE 686 CO 0.10 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 174.98 2pnl n GLY 687 N 2.67 -1.06 2.63 6.18 0.00 -1.16 -1.68 105.19 112.77 2pnl n GLY 687 Ca -0.18 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 4.75 0.00 1.61 4.05 -1.24 -0.47 115.26 123.96 2pnl n ASN 688 Ca 0.00 -3.44 0.00 0.00 0.45 0.00 0.00 54.58 51.59 2pnl n ASN 688 Cb 0.00 -0.89 0.00 0.00 1.23 0.00 0.00 39.78 40.12 2pnl n ASN 688 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pnl n GLN 689 N 1.00 0.00 -1.67 1.20 10.64 -1.26 -4.49 117.38 122.80 2pnl n GLN 689 Ca 0.29 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 55.09 2pnl n GLN 689 Cb 0.38 0.00 0.07 0.00 -0.86 0.00 0.00 30.24 29.83 2pnl n GLN 689 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 2pnl n PRO 690 N -0.02 1.01 0.00 2.61 -0.02 -1.26 -3.44 135.00 133.88 2pnl n PRO 690 Ca 0.00 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2pnl n PRO 690 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 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 0.97 2.08 3.90 -1.23 0.00 -1.26 -4.97 105.19 104.68 2pnl n GLY 691 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.58 3.96 0.11 1.61 -7.23 -1.22 -4.82 120.40 110.22 2pnl s VAL 692 Ca 0.00 0.36 -0.08 0.00 -1.81 0.00 0.00 61.98 60.45 2pnl s VAL 692 Cb 0.00 -3.59 -0.19 0.00 0.56 0.00 0.00 36.38 33.15 2pnl s VAL 692 CO 0.00 -0.70 1.27 0.44 -0.31 0.00 0.00 175.10 175.80 2pnl h ASP 693 N -0.32 0.71 -3.40 4.85 3.32 -0.65 -3.45 116.42 117.49 2pnl h ASP 693 Ca -0.45 -0.55 -0.37 0.00 0.02 0.00 0.00 57.03 55.67 2pnl h ASP 693 Cb 1.24 -0.22 -0.36 0.00 0.22 0.00 0.00 39.33 40.21 2pnl h ASP 693 CO 0.62 1.35 -0.75 -1.61 -1.72 0.00 0.00 179.24 177.13 2pnl s GLU 694 N -3.36 0.33 0.01 3.56 2.02 -1.14 -5.00 118.70 115.11 2pnl s GLU 694 Ca -0.08 0.13 -0.25 0.00 0.02 0.00 0.00 54.97 54.79 2pnl s GLU 694 Cb 0.08 -0.62 -0.05 0.00 0.10 0.00 0.00 34.13 33.64 2pnl s GLU 694 CO 0.89 -0.21 0.78 -1.21 0.02 0.00 0.00 175.26 175.53 2pnl s GLU 695 N 1.47 4.49 -0.21 1.61 2.02 -1.26 -2.99 118.70 123.83 2pnl s GLU 695 Ca -0.03 1.07 0.00 0.00 0.02 0.00 0.00 54.97 56.02 2pnl s GLU 695 Cb -0.13 -3.40 0.02 0.00 0.10 0.00 0.00 34.13 30.72 2pnl s GLU 695 CO -0.03 0.17 -0.15 0.14 0.02 0.00 0.00 175.26 175.42 2pnl s VAL 696 N 0.34 2.38 0.17 2.63 -7.23 0.38 -4.94 120.40 114.13 2pnl s VAL 696 Ca 0.40 -0.98 0.23 0.00 -1.81 0.00 0.00 61.98 59.83 2pnl s VAL 696 Cb -0.20 -2.10 0.22 0.00 0.56 0.00 0.00 36.38 34.87 2pnl s VAL 696 CO 0.22 0.40 1.83 -0.09 -0.31 0.00 0.00 175.10 177.16 2pnl h ARG 697 N 7.95 0.00 -3.53 4.82 9.65 -1.96 -3.28 114.38 128.04 2pnl h ARG 697 Ca -0.40 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.43 2pnl h ARG 697 Cb 1.13 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.63 2pnl h ARG 697 CO 0.60 0.24 -0.04 0.54 2.80 0.00 0.00 179.97 184.12 2pnl s ASN 698 N -6.24 -0.03 0.43 -3.80 2.20 -1.26 -4.18 114.94 102.06 2pnl s ASN 698 Ca 0.00 -0.93 0.19 0.00 -0.94 0.00 0.00 52.86 51.17 2pnl s ASN 698 Cb 0.11 0.64 0.99 0.00 -2.00 0.00 0.00 41.25 40.98 2pnl s ASN 698 CO 0.64 -1.23 1.91 0.71 -2.94 0.00 0.00 177.10 176.20 2pnl h THR 699 N 2.18 0.95 -0.40 0.54 1.35 -1.42 -2.57 112.91 113.54 2pnl h THR 699 Ca -0.25 -0.98 -0.14 0.00 -0.55 0.00 0.00 66.41 64.48 2pnl h THR 699 Cb 1.25 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 2pnl h THR 699 CO 0.34 0.26 -0.32 -1.28 -0.25 0.00 0.00 175.52 174.27 2pnl h SER 700 N 0.00 0.93 -0.30 5.36 0.87 -1.89 -0.81 113.55 117.72 2pnl h SER 700 Ca -0.00 -0.39 -0.09 0.00 -1.23 0.00 0.00 61.79 60.07 2pnl h SER 700 Cb 0.55 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2pnl h SER 700 CO 0.03 1.17 -0.12 -0.07 -0.53 0.00 0.00 176.83 177.31 2pnl h LEU 701 N 0.74 0.71 -0.50 2.23 3.38 -1.87 -1.19 115.31 118.82 2pnl h LEU 701 Ca 0.08 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2pnl h LEU 701 Cb 0.89 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2pnl h LEU 701 CO 0.08 0.85 0.30 0.00 0.09 0.00 0.00 178.44 179.76 2pnl h ALA 702 N 1.22 0.64 -0.67 1.53 0.00 -1.31 0.12 119.26 120.79 2pnl h ALA 702 Ca 0.11 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2pnl h ALA 702 Cb 0.58 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2pnl h ALA 702 CO 0.04 -0.01 0.44 0.00 0.00 0.00 0.00 179.25 179.72 2pnl h ALA 703 N 1.23 1.56 -0.35 0.00 0.00 -0.97 -0.47 119.26 120.25 2pnl h ALA 703 Ca 0.20 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2pnl h ALA 703 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2pnl h ALA 703 CO -0.10 0.39 -0.11 1.25 0.00 0.00 0.00 179.25 180.68 2pnl h HIS 704 N 0.86 0.79 -0.75 0.00 6.17 -0.18 -2.42 115.15 119.62 2pnl h HIS 704 Ca 0.25 -0.18 -0.01 0.00 0.71 0.00 0.00 60.37 61.15 2pnl h HIS 704 Cb -0.04 -0.19 -0.04 0.00 2.52 0.00 0.00 27.41 29.67 2pnl h HIS 704 CO -0.00 0.87 0.45 1.25 0.71 0.00 0.00 177.93 181.21 2pnl h LEU 705 N 0.48 0.90 -0.44 0.26 5.85 -0.34 0.23 115.31 122.25 2pnl h LEU 705 Ca 0.09 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2pnl h LEU 705 Cb 0.63 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2pnl h LEU 705 CO 0.04 0.69 0.19 0.40 -0.34 0.00 0.00 178.44 179.43 2pnl h ILE 706 N 1.03 0.92 -0.42 4.05 2.04 -0.93 -0.41 117.51 123.80 2pnl h ILE 706 Ca 0.27 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.90 2pnl h ILE 706 Cb -0.03 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2pnl h ILE 706 CO -0.05 0.07 -0.11 1.56 0.00 0.00 0.00 178.15 179.62 2pnl h GLN 707 N 0.39 0.82 0.00 2.37 1.08 -0.72 -3.08 115.11 115.98 2pnl h GLN 707 Ca 0.20 -0.32 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2pnl h GLN 707 Cb 0.15 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2pnl h GLN 707 CO -0.17 0.94 -0.05 1.79 -0.95 0.00 0.00 178.83 180.40 2pnl h THR 708 N 0.64 0.08 0.00 -0.54 1.35 -0.96 -3.47 112.91 110.01 2pnl h THR 708 Ca 0.11 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 2pnl h THR 708 Cb 0.65 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2pnl h THR 708 CO 0.04 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 2pnl n GLY 709 N 1.07 1.64 3.22 5.82 0.00 -0.17 -4.87 105.19 111.90 2pnl n GLY 709 Ca 0.04 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.24 0.06 -0.09 2.61 -4.23 -1.26 -4.93 115.64 107.56 2pnl s THR 710 Ca 0.00 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 2pnl s THR 710 Cb 0.00 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 2pnl s THR 710 CO 0.00 0.00 1.44 -0.22 -0.54 0.00 0.00 174.62 175.30 2pnl s LEU 711 N -3.19 4.26 0.50 4.79 2.96 -1.26 -4.94 118.68 121.80 2pnl s LEU 711 Ca 0.39 1.98 -0.22 0.00 -0.22 0.00 0.00 54.13 56.06 2pnl s LEU 711 Cb 0.07 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.13 2pnl s LEU 711 CO 0.13 -0.81 0.93 -2.65 -1.32 0.00 0.00 176.35 172.62 2pnl n PRO 712 N 6.58 1.10 -4.10 0.98 -0.02 -1.26 -4.99 135.00 133.29 2pnl n PRO 712 Ca 0.15 0.40 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 2pnl n PRO 712 Cb 0.44 -2.03 -0.07 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.41 4.88 -0.20 -1.45 1.01 -1.26 -5.11 120.40 116.86 2pnl s VAL 713 Ca 0.68 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 2pnl s VAL 713 Cb -0.50 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2pnl s VAL 713 CO 0.54 0.49 -0.00 -1.10 0.00 0.00 0.00 175.10 175.02 2pnl s GLN 714 N -1.33 3.61 -0.15 2.72 -0.21 -1.26 -5.12 119.66 117.93 2pnl s GLN 714 Ca 0.19 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 55.05 2pnl s GLN 714 Cb -0.12 -3.08 0.02 0.00 1.00 0.00 0.00 33.01 30.83 2pnl s GLN 714 CO 0.09 0.01 -0.17 0.50 -2.12 0.00 0.00 175.29 173.60 2pnl s ARG 715 N 1.00 2.51 0.00 2.91 3.52 -1.26 -5.35 118.95 122.28 2pnl s ARG 715 Ca 0.02 -0.65 0.31 0.00 -0.13 0.00 0.00 55.73 55.28 2pnl s ARG 715 Cb -0.14 -2.19 1.64 0.00 -1.56 0.00 0.00 34.95 32.69 2pnl s ARG 715 CO 0.02 -0.17 2.08 0.00 -0.81 0.00 0.00 175.30 176.41