#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 4.30 0.13 1.61 3.01 -1.05 -4.61 119.74 123.14 2pnl s LYS 515 Ca 0.00 1.47 -0.32 0.00 -1.01 0.00 0.00 55.97 56.11 2pnl s LYS 515 Cb 0.00 -2.64 -0.11 0.00 -1.01 0.00 0.00 37.83 34.07 2pnl s LYS 515 CO 0.00 -0.01 1.80 0.34 0.51 0.00 0.00 175.35 177.99 2pnl n PHE 516 N 0.15 2.59 -3.92 3.18 -0.00 -1.25 -2.08 117.46 116.13 2pnl n PHE 516 Ca 0.04 -0.07 -0.30 0.00 -0.00 0.00 0.00 57.45 57.12 2pnl n PHE 516 Cb 0.50 -2.70 -0.16 0.00 -0.00 0.00 0.00 39.48 37.12 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 2.39 3.72 0.37 -2.13 0.15 0.01 -4.86 113.70 113.35 2pnl s SER 517 Ca 0.81 -1.12 0.14 0.00 0.70 0.00 0.00 55.95 56.48 2pnl s SER 517 Cb -0.52 -1.13 0.73 0.00 -1.71 0.00 0.00 66.02 63.40 2pnl s SER 517 CO 0.37 -0.24 1.82 -0.09 1.20 0.00 0.00 173.24 176.31 2pnl h ARG 518 N 7.98 0.00 0.08 5.44 2.43 -1.93 -1.94 114.38 126.44 2pnl h ARG 518 Ca -0.18 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2pnl h ARG 518 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2pnl h ARG 518 CO 0.41 0.38 -0.04 0.00 -1.51 0.00 0.00 179.97 179.21 2pnl h ALA 519 N 1.62 -0.10 -0.31 2.80 0.00 -1.97 -2.21 119.26 119.09 2pnl h ALA 519 Ca -0.00 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2pnl h ALA 519 Cb 0.69 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2pnl h ALA 519 CO 0.05 -0.31 -0.18 1.25 0.00 0.00 0.00 179.25 180.06 2pnl h LEU 520 N -0.60 -0.59 -0.36 0.00 5.85 -1.94 -1.79 115.31 115.89 2pnl h LEU 520 Ca -0.01 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2pnl h LEU 520 Cb 0.50 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 41.76 2pnl h LEU 520 CO 0.02 -0.21 -0.49 0.50 -0.34 0.00 0.00 178.44 177.91 2pnl h LYS 521 N -0.14 -0.38 -0.67 1.25 3.64 -1.34 -0.85 116.57 118.07 2pnl h LYS 521 Ca 0.16 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2pnl h LYS 521 Cb 0.38 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 2pnl h LYS 521 CO -0.39 -0.26 0.22 -0.91 -2.27 0.00 0.00 179.45 175.84 2pnl h ASN 522 N -0.40 0.95 0.18 4.20 -0.26 -1.22 -0.22 115.58 118.82 2pnl h ASN 522 Ca 0.10 -0.16 -0.10 0.00 -0.56 0.00 0.00 56.30 55.57 2pnl h ASN 522 Cb 0.61 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 2pnl h ASN 522 CO -0.56 0.88 -0.37 0.08 -1.06 0.00 0.00 177.43 176.40 2pnl h ARG 523 N 0.99 0.26 0.15 0.81 0.11 -0.86 -1.44 114.38 114.39 2pnl h ARG 523 Ca 0.22 -0.12 -0.30 0.00 0.10 0.00 0.00 59.98 59.88 2pnl h ARG 523 Cb 0.27 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2pnl h ARG 523 CO -0.01 0.61 -1.51 -0.07 0.10 0.00 0.00 179.97 179.09 2pnl h LEU 524 N 0.23 0.48 -1.15 0.08 3.38 -1.00 -3.30 115.31 114.03 2pnl h LEU 524 Ca 0.02 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.10 2pnl h LEU 524 Cb 0.77 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2pnl h LEU 524 CO 0.06 1.67 0.00 -0.33 0.09 0.00 0.00 178.44 179.93 2pnl h GLU 525 N -0.15 0.00 -0.04 1.13 5.08 -1.08 -1.67 114.58 117.85 2pnl h GLU 525 Ca -0.31 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2pnl h GLU 525 Cb 1.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.13 2pnl h GLU 525 CO 0.11 0.00 0.04 0.66 -1.00 0.00 0.00 179.01 178.82 2pnl h SER 526 N 0.00 0.00 0.13 1.42 4.64 -1.33 -2.08 113.55 116.33 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 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 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 -2.35 2.81 -1.75 5.18 0.00 -0.63 -4.91 120.51 118.86 2pnl n ALA 527 Ca -0.02 -0.40 -0.37 0.00 0.00 0.00 0.00 53.44 52.64 2pnl n ALA 527 Cb 0.13 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.25 5.35 0.33 0.00 0.02 -0.78 -4.61 114.94 112.99 2pnl s ASN 528 Ca 0.32 2.55 -0.19 0.00 -1.02 0.00 0.00 52.86 54.53 2pnl s ASN 528 Cb 0.20 -2.62 0.03 0.00 0.02 0.00 0.00 41.25 38.89 2pnl s ASN 528 CO 0.43 -1.50 0.75 -0.72 0.02 0.00 0.00 177.10 176.08 2pnl s TYR 529 N -1.44 -0.04 -1.40 2.20 -0.85 -0.49 -4.98 117.35 110.35 2pnl s TYR 529 Ca 0.73 -0.51 -0.08 0.00 -0.52 0.00 0.00 57.07 56.69 2pnl s TYR 529 Cb -0.35 0.76 0.01 0.00 0.38 0.00 0.00 41.96 42.75 2pnl s TYR 529 CO 0.40 -1.38 0.34 0.39 -1.52 0.00 0.00 175.55 173.78 2pnl n GLU 530 N -0.49 -1.69 -1.73 -3.49 1.02 -1.26 -0.31 120.64 112.69 2pnl n GLU 530 Ca -0.06 0.24 -0.42 0.00 -0.02 0.00 0.00 57.16 56.90 2pnl n GLU 530 Cb 0.59 -3.79 -0.01 0.00 -0.02 0.00 0.00 31.44 28.21 2pnl n GLU 530 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2pnl n GLU 531 N -4.56 2.42 -3.78 3.49 2.13 -1.26 -4.17 120.64 114.90 2pnl n GLU 531 Ca -0.26 0.85 -0.13 0.00 0.66 0.00 0.00 57.16 58.28 2pnl n GLU 531 Cb 0.66 -2.53 -0.10 0.00 0.27 0.00 0.00 31.44 29.74 2pnl n GLU 531 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2pnl s VAL 532 N -0.90 0.03 -0.20 6.31 0.11 0.41 -4.97 120.40 121.19 2pnl s VAL 532 Ca 0.56 -0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 59.25 2pnl s VAL 532 Cb -0.53 -0.47 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2pnl s VAL 532 CO 0.60 -0.14 0.17 -0.70 -3.33 0.00 0.00 175.10 171.71 2pnl s GLU 533 N -0.55 4.18 0.25 1.54 2.12 -1.26 -0.72 118.70 124.27 2pnl s GLU 533 Ca -0.07 -0.16 0.10 0.00 0.36 0.00 0.00 54.97 55.21 2pnl s GLU 533 Cb -0.04 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 2pnl s GLU 533 CO 0.02 0.24 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.40 2pnl s LEU 534 N 0.53 3.01 1.09 2.70 1.43 0.12 -4.96 118.68 122.60 2pnl s LEU 534 Ca 0.10 -0.72 -0.13 0.00 -1.03 0.00 0.00 54.13 52.35 2pnl s LEU 534 Cb -0.12 -1.56 0.24 0.00 0.03 0.00 0.00 46.19 44.78 2pnl s LEU 534 CO 0.00 0.03 1.06 -2.84 0.23 0.00 0.00 176.35 174.83 2pnl s PRO 535 N -3.48 -0.34 0.24 1.29 0.02 -1.26 -1.51 135.00 129.96 2pnl s PRO 535 Ca 0.30 0.64 -0.31 0.00 0.02 0.00 0.00 61.00 61.64 2pnl s PRO 535 Cb -0.07 -1.64 -0.12 0.00 0.02 0.00 0.00 34.50 32.70 2pnl s PRO 535 CO 0.18 -3.28 1.69 -2.14 -0.33 0.00 0.00 177.00 173.11 2pnl s PRO 536 N -4.72 4.12 0.61 5.54 0.02 -1.26 -4.18 135.00 135.13 2pnl s PRO 536 Ca 0.67 2.61 -0.19 0.00 0.02 0.00 0.00 61.00 64.11 2pnl s PRO 536 Cb -0.22 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 2pnl s PRO 536 CO 0.61 -0.72 1.31 -2.14 -0.33 0.00 0.00 177.00 175.73 2pnl s PRO 537 N 0.63 2.75 0.33 5.54 0.02 -1.26 -4.93 135.00 138.08 2pnl s PRO 537 Ca 0.71 2.11 0.03 0.00 0.02 0.00 0.00 61.00 63.86 2pnl s PRO 537 Cb -0.49 -1.97 0.57 0.00 0.02 0.00 0.00 34.50 32.62 2pnl s PRO 537 CO 0.37 -1.45 1.89 0.66 -0.33 0.00 0.00 177.00 178.14 2pnl h SER 538 N 0.84 0.60 -5.11 2.53 4.64 -1.94 -3.41 113.55 111.71 2pnl h SER 538 Ca -0.51 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 60.66 2pnl h SER 538 Cb 1.32 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 2pnl h SER 538 CO 0.54 0.60 0.16 -1.59 -0.87 0.00 0.00 176.83 175.68 2pnl s LYS 539 N -5.18 2.10 0.00 4.77 -2.85 -1.26 -1.06 119.74 116.27 2pnl s LYS 539 Ca -0.09 -1.45 0.00 0.00 -1.00 0.00 0.00 55.97 53.44 2pnl s LYS 539 Cb 0.16 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.51 2pnl s LYS 539 CO 0.77 -0.96 0.00 0.41 0.10 0.00 0.00 175.35 175.67 2pnl n GLY 540 N -0.52 0.39 3.09 0.59 0.00 -1.04 -4.25 105.19 103.45 2pnl n GLY 540 Ca -0.06 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 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 0.08 -0.09 1.61 0.11 -0.95 -4.19 120.40 114.97 2pnl s VAL 541 Ca 0.00 -0.68 -0.00 0.00 -2.93 0.00 0.00 61.98 58.37 2pnl s VAL 541 Cb 0.00 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.41 2pnl s VAL 541 CO 0.00 -0.37 -0.07 -0.63 -3.33 0.00 0.00 175.10 170.69 2pnl s ILE 542 N -1.34 3.63 0.11 7.04 1.01 -1.26 -1.37 121.20 129.02 2pnl s ILE 542 Ca -0.14 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.05 2pnl s ILE 542 Cb -0.08 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2pnl s ILE 542 CO 0.01 0.57 -0.08 0.68 0.00 0.00 0.00 174.94 176.12 2pnl s VAL 543 N -0.43 0.85 0.20 2.92 -7.23 -0.51 -1.75 120.40 114.45 2pnl s VAL 543 Ca 0.06 -1.88 -0.08 0.00 -1.81 0.00 0.00 61.98 58.27 2pnl s VAL 543 Cb -0.12 -1.63 -0.07 0.00 0.56 0.00 0.00 36.38 35.13 2pnl s VAL 543 CO 0.02 -0.77 0.50 -2.16 -0.31 0.00 0.00 175.10 172.39 2pnl s PRO 544 N -3.54 3.75 -0.04 4.82 0.04 -1.26 -0.63 135.00 138.14 2pnl s PRO 544 Ca 0.11 0.18 0.03 0.00 0.04 0.00 0.00 61.00 61.36 2pnl s PRO 544 Cb 0.03 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.86 2pnl s PRO 544 CO -0.02 0.36 -0.14 0.08 0.04 0.00 0.00 177.00 177.32 2pnl s VAL 545 N -1.77 1.17 -0.19 -0.36 1.01 -0.27 -4.88 120.40 115.12 2pnl s VAL 545 Ca 0.46 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 2pnl s VAL 545 Cb -0.11 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2pnl s VAL 545 CO 0.22 0.35 0.26 -0.69 0.00 0.00 0.00 175.10 175.24 2pnl s VAL 546 N 0.20 5.32 -0.18 2.92 1.01 -1.26 -1.80 120.40 126.60 2pnl s VAL 546 Ca -0.05 0.46 -0.06 0.00 0.00 0.00 0.00 61.98 62.32 2pnl s VAL 546 Cb -0.11 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2pnl s VAL 546 CO 0.02 0.37 0.03 -1.00 0.00 0.00 0.00 175.10 174.52 2pnl s HIS 547 N 0.67 3.16 0.13 5.22 3.76 0.10 -4.97 115.29 123.37 2pnl s HIS 547 Ca 0.14 -0.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.96 2pnl s HIS 547 Cb -0.13 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 2pnl s HIS 547 CO 0.03 0.04 0.02 0.95 -0.85 0.00 0.00 174.74 174.94 2pnl s THR 548 N 0.49 0.34 -0.16 1.30 -4.23 -1.26 -2.77 115.64 109.36 2pnl s THR 548 Ca 0.01 -1.92 -0.10 0.00 -1.18 0.00 0.00 61.69 58.50 2pnl s THR 548 Cb -0.13 -1.98 0.05 0.00 1.34 0.00 0.00 72.50 71.78 2pnl s THR 548 CO 0.01 -0.56 0.39 0.54 -0.54 0.00 0.00 174.62 174.46 2pnl s VAL 549 N -3.88 -0.02 0.53 2.29 0.11 -1.26 -5.06 120.40 113.12 2pnl s VAL 549 Ca 0.21 0.08 0.32 0.00 -2.93 0.00 0.00 61.98 59.67 2pnl s VAL 549 Cb 0.07 -0.57 0.50 0.00 -1.53 0.00 0.00 36.38 34.85 2pnl s VAL 549 CO 0.01 0.03 1.86 0.07 -3.33 0.00 0.00 175.10 173.74 2pnl h LYS 550 N 6.81 0.02 -0.01 1.54 -0.00 -2.02 0.46 116.57 123.37 2pnl h LYS 550 Ca -0.35 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.30 2pnl h LYS 550 Cb 1.18 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 2pnl h LYS 550 CO 0.30 0.01 -0.08 -1.13 -0.00 0.00 0.00 179.45 178.56 2pnl n SER 551 N -4.26 1.11 -3.23 7.07 3.41 -1.26 -4.00 113.62 112.46 2pnl n SER 551 Ca 0.21 -1.19 -0.30 0.00 -0.26 0.00 0.00 58.87 57.33 2pnl n SER 551 Cb 1.03 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.97 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 -0.28 4.73 -1.73 7.33 0.00 0.15 -5.10 120.51 125.62 2pnl n ALA 552 Ca 0.17 -4.72 -0.42 0.00 0.00 0.00 0.00 53.44 48.47 2pnl n ALA 552 Cb 0.32 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 2pnl n ALA 552 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pnl n PRO 553 N 0.18 2.73 -0.76 0.00 -0.04 -1.26 -2.30 135.00 133.54 2pnl n PRO 553 Ca 0.32 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.76 2pnl n PRO 553 Cb 0.37 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 2pnl n PRO 553 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pnl n GLY 554 N 3.11 0.95 3.82 0.55 0.00 -1.26 -4.97 105.19 107.39 2pnl n GLY 554 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2pnl n GLY 554 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pnl s GLU 555 N -0.21 2.97 -0.07 1.61 2.02 -0.98 -2.52 118.70 121.53 2pnl s GLU 555 Ca 0.00 -0.87 -0.31 0.00 0.02 0.00 0.00 54.97 53.81 2pnl s GLU 555 Cb 0.00 -2.67 0.12 0.00 0.10 0.00 0.00 34.13 31.67 2pnl s GLU 555 CO 0.00 0.47 0.99 0.00 0.02 0.00 0.00 175.26 176.74 2pnl s ALA 556 N -1.82 -1.91 0.22 5.21 0.00 -0.88 -4.32 121.76 118.27 2pnl s ALA 556 Ca 0.32 1.24 -0.09 0.00 0.00 0.00 0.00 51.96 53.43 2pnl s ALA 556 Cb -0.10 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2pnl s ALA 556 CO 0.24 -0.62 0.37 -0.59 0.00 0.00 0.00 175.76 175.16 2pnl s PHE 557 N -2.70 0.56 0.21 0.00 -0.12 -1.11 -0.81 117.98 114.00 2pnl s PHE 557 Ca 0.06 -0.89 0.10 0.00 -0.05 0.00 0.00 56.93 56.15 2pnl s PHE 557 Cb -0.01 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.31 2pnl s PHE 557 CO -0.07 -0.87 -0.15 0.20 -0.05 0.00 0.00 175.22 174.28 2pnl s GLY 558 N -3.05 1.74 0.26 1.99 0.00 -1.26 -0.73 107.32 106.27 2pnl s GLY 558 Ca 0.26 -1.60 0.03 0.00 0.00 0.00 0.00 44.72 43.40 2pnl s GLY 558 CO 0.08 -1.64 0.20 -1.35 0.00 0.00 0.00 173.10 170.40 2pnl s SER 559 N -2.94 0.83 0.03 1.64 1.04 -0.74 -4.72 113.70 108.84 2pnl s SER 559 Ca 0.25 -1.55 0.03 0.00 0.48 0.00 0.00 55.95 55.16 2pnl s SER 559 Cb -0.08 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 2pnl s SER 559 CO 0.14 -0.94 -0.04 -0.76 0.98 0.00 0.00 173.24 172.61 2pnl s LEU 560 N -3.25 3.29 0.00 2.42 1.43 -1.26 -1.11 118.68 120.19 2pnl s LEU 560 Ca 0.40 -0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.42 2pnl s LEU 560 Cb 0.05 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 2pnl s LEU 560 CO 0.19 0.25 -0.21 0.00 0.23 0.00 0.00 176.35 176.81 2pnl s ALA 561 N -1.09 2.42 -0.11 4.21 0.00 0.20 -1.06 121.76 126.32 2pnl s ALA 561 Ca 0.20 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 2pnl s ALA 561 Cb -0.11 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 2pnl s ALA 561 CO 0.11 0.55 -0.07 -1.50 0.00 0.00 0.00 175.76 174.84 2pnl s ILE 562 N -0.76 3.64 -0.35 0.00 2.07 0.13 -1.43 121.20 124.49 2pnl s ILE 562 Ca 0.12 -0.47 -0.08 0.00 -1.41 0.00 0.00 60.65 58.81 2pnl s ILE 562 Cb -0.10 -2.53 0.04 0.00 0.13 0.00 0.00 42.46 39.99 2pnl s ILE 562 CO 0.02 0.55 0.14 -0.63 -1.91 0.00 0.00 174.94 173.10 2pnl s ILE 563 N -0.20 4.00 0.25 2.00 1.01 -0.47 -0.41 121.20 127.37 2pnl s ILE 563 Ca 0.03 -1.07 0.11 0.00 0.00 0.00 0.00 60.65 59.71 2pnl s ILE 563 Cb -0.13 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 2pnl s ILE 563 CO 0.03 -0.20 -0.14 0.27 0.00 0.00 0.00 174.94 174.89 2pnl s ILE 564 N 1.44 2.81 0.46 2.92 -4.36 -0.68 -2.24 121.20 121.55 2pnl s ILE 564 Ca -0.01 -2.14 -0.24 0.00 -0.26 0.00 0.00 60.65 58.01 2pnl s ILE 564 Cb -0.19 -2.46 -0.07 0.00 1.25 0.00 0.00 42.46 40.98 2pnl s ILE 564 CO 0.04 -0.32 1.24 -2.84 0.24 0.00 0.00 174.94 173.30 2pnl s PRO 565 N -3.37 3.69 0.00 0.37 0.02 -1.26 -1.06 135.00 133.39 2pnl s PRO 565 Ca 0.29 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.28 2pnl s PRO 565 Cb -0.06 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 31.98 2pnl s PRO 565 CO 0.16 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 2pnl n GLY 566 N 0.58 2.17 3.25 0.52 0.00 0.79 -4.78 105.19 107.72 2pnl n GLY 566 Ca 0.07 -2.05 -0.38 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 -2.22 2.55 -0.40 1.61 2.02 -1.26 -2.78 118.70 118.22 2pnl s GLU 567 Ca 0.00 -1.31 0.09 0.00 0.02 0.00 0.00 54.97 53.77 2pnl s GLU 567 Cb 0.00 -3.53 0.43 0.00 0.10 0.00 0.00 34.13 31.13 2pnl s GLU 567 CO 0.00 -0.77 1.07 0.66 0.02 0.00 0.00 175.26 176.25 2pnl n TYR 568 N 4.80 2.79 0.18 1.61 4.01 -1.26 -4.88 117.16 124.41 2pnl n TYR 568 Ca -0.11 -2.98 0.18 0.00 -0.16 0.00 0.00 57.90 54.83 2pnl n TYR 568 Cb 0.44 -0.17 0.81 0.00 -0.31 0.00 0.00 39.34 40.11 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 2.67 0.00 0.00 -0.72 0.13 -1.95 -1.05 132.00 131.07 2pnl h PRO 569 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2pnl h PRO 569 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2pnl h PRO 569 CO 0.75 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.57 2pnl h GLU 570 N 0.00 0.00 -0.00 0.86 9.09 -1.99 -2.18 114.58 120.36 2pnl h GLU 570 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.52 2pnl h GLU 570 Cb 0.67 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.77 2pnl h GLU 570 CO -0.00 0.00 -0.14 1.28 0.05 0.00 0.00 179.01 180.20 2pnl n LEU 571 N -3.02 0.36 -4.79 3.06 4.77 -0.40 -4.85 117.00 112.12 2pnl n LEU 571 Ca 0.01 0.12 -0.35 0.00 -0.03 0.00 0.00 56.01 55.76 2pnl n LEU 571 Cb 0.32 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 2pnl n LEU 571 CO 0.27 0.07 -0.23 -0.76 -1.33 0.00 0.00 177.39 175.41 2pnl s LEU 572 N -2.67 4.00 0.21 2.23 1.43 -0.82 -4.53 118.68 118.53 2pnl s LEU 572 Ca 0.23 0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 53.28 2pnl s LEU 572 Cb 0.19 -2.13 -0.15 0.00 0.03 0.00 0.00 46.19 44.13 2pnl s LEU 572 CO 0.52 0.34 1.00 -0.67 0.23 0.00 0.00 176.35 177.77 2pnl n ASP 573 N 1.64 0.85 -0.15 2.29 2.03 -1.26 -4.81 116.55 117.14 2pnl n ASP 573 Ca -0.16 1.15 0.26 0.00 0.52 0.00 0.00 54.79 56.56 2pnl n ASP 573 Cb 0.54 -1.19 0.69 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 2.48 2.71 0.00 -1.67 0.00 -1.92 0.17 119.26 121.03 2pnl h ALA 574 Ca -0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2pnl h ALA 574 Cb 1.36 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2pnl h ALA 574 CO 0.64 -0.94 0.00 -0.91 0.00 0.00 0.00 179.25 178.04 2pnl h ASN 575 N 0.05 0.00 0.37 0.00 4.21 -1.88 -2.57 115.58 115.75 2pnl h ASN 575 Ca 0.40 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.91 2pnl h ASN 575 Cb 1.51 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.71 2pnl h ASN 575 CO -0.02 0.00 -0.59 0.00 -1.29 0.00 0.00 177.43 175.52 2pnl n GLN 576 N -2.99 0.07 -1.28 0.81 6.02 0.57 -3.73 117.38 116.86 2pnl n GLN 576 Ca -0.00 -0.05 -0.40 0.00 -0.01 0.00 0.00 57.00 56.54 2pnl n GLN 576 Cb 0.23 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 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 -1.42 2.14 -4.34 -1.09 6.02 -0.97 -3.23 117.38 114.48 2pnl n GLN 577 Ca 0.06 -2.05 -0.26 0.00 -0.01 0.00 0.00 57.00 54.74 2pnl n GLN 577 Cb 0.34 -2.96 -0.13 0.00 1.02 0.00 0.00 30.24 28.51 2pnl n GLN 577 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2pnl s VAL 578 N 4.05 1.89 -0.13 5.09 0.11 -1.26 -5.00 120.40 125.14 2pnl s VAL 578 Ca 0.53 -1.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.00 2pnl s VAL 578 Cb 0.14 -1.69 -0.01 0.00 -1.53 0.00 0.00 36.38 33.29 2pnl s VAL 578 CO 0.02 0.00 -0.17 -0.22 -3.33 0.00 0.00 175.10 171.40 2pnl s LEU 579 N -1.91 2.43 0.16 2.54 2.96 -1.26 -1.32 118.68 122.28 2pnl s LEU 579 Ca 0.09 -0.45 0.11 0.00 -0.22 0.00 0.00 54.13 53.65 2pnl s LEU 579 Cb -0.10 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2pnl s LEU 579 CO 0.05 0.13 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.54 2pnl s SER 580 N 0.52 3.53 0.01 3.68 0.01 -0.80 -4.97 113.70 115.68 2pnl s SER 580 Ca -0.11 -0.77 0.08 0.00 1.31 0.00 0.00 55.95 56.46 2pnl s SER 580 Cb -0.16 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.72 2pnl s SER 580 CO 0.04 0.14 -0.24 -1.00 0.41 0.00 0.00 173.24 172.60 2pnl s HIS 581 N -1.44 2.13 0.90 2.43 0.09 -1.26 -0.13 115.29 118.00 2pnl s HIS 581 Ca 0.19 -0.40 -0.11 0.00 -0.00 0.00 0.00 55.06 54.74 2pnl s HIS 581 Cb -0.09 -1.32 0.13 0.00 -0.00 0.00 0.00 32.58 31.30 2pnl s HIS 581 CO 0.09 0.04 1.09 -0.06 -0.00 0.00 0.00 174.74 175.90 2pnl s PHE 582 N -0.68 2.16 0.44 1.40 0.40 -0.56 -1.51 117.98 119.63 2pnl s PHE 582 Ca 0.10 1.41 -0.26 0.00 -0.60 0.00 0.00 56.93 57.58 2pnl s PHE 582 Cb -0.09 -3.16 -0.09 0.00 0.51 0.00 0.00 43.02 40.19 2pnl s PHE 582 CO 0.00 -2.48 1.40 0.00 0.70 0.00 0.00 175.22 174.85 2pnl s ALA 583 N -2.83 3.27 0.00 5.36 0.00 -0.25 -4.40 121.76 122.90 2pnl s ALA 583 Ca 0.64 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.02 2pnl s ALA 583 Cb -0.19 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2pnl s ALA 583 CO 0.58 -1.10 0.00 0.09 0.00 0.00 0.00 175.76 175.32 2pnl n ASN 584 N -0.08 0.00 -0.16 0.00 3.02 -1.26 -3.33 115.26 113.45 2pnl n ASN 584 Ca 0.04 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.74 2pnl n ASN 584 Cb 0.42 0.00 0.73 0.00 -0.61 0.00 0.00 39.78 40.32 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 3.53 0.52 -1.92 6.41 -0.08 -1.26 -4.77 116.55 118.98 2pnl n ASP 585 Ca 0.00 -0.97 -0.16 0.00 -1.51 0.00 0.00 54.79 52.15 2pnl n ASP 585 Cb 0.00 -0.03 0.20 0.00 2.34 0.00 0.00 41.12 43.63 2pnl n ASP 585 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2pnl n THR 586 N -0.70 3.00 0.00 5.18 -2.24 -1.21 -4.95 114.28 113.37 2pnl n THR 586 Ca 0.19 -2.08 0.00 0.00 -2.27 0.00 0.00 64.05 59.89 2pnl n THR 586 Cb 0.23 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.01 1.00 3.40 3.38 0.00 -1.26 -0.78 105.19 109.93 2pnl n GLY 587 Ca 0.51 -2.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.50 -0.09 1.61 0.01 -1.26 -1.50 113.70 111.97 2pnl s SER 588 Ca 0.00 0.01 -0.00 0.00 1.31 0.00 0.00 55.95 57.26 2pnl s SER 588 Cb 0.00 0.56 0.02 0.00 0.21 0.00 0.00 66.02 66.82 2pnl s SER 588 CO 0.00 -0.90 -0.05 -0.69 0.41 0.00 0.00 173.24 172.01 2pnl s VAL 589 N -3.46 0.78 0.25 3.43 1.01 0.81 -1.06 120.40 122.17 2pnl s VAL 589 Ca -0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 2pnl s VAL 589 Cb -0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 36.38 35.44 2pnl s VAL 589 CO -0.10 0.32 1.33 0.26 0.00 0.00 0.00 175.10 176.91 2pnl s TRP 590 N 1.68 3.16 0.00 5.22 0.52 0.17 -1.91 118.94 127.79 2pnl s TRP 590 Ca 0.03 1.25 0.00 0.00 0.02 0.00 0.00 56.10 57.40 2pnl s TRP 590 Cb -0.13 -3.66 0.00 0.00 -1.15 0.00 0.00 33.47 28.54 2pnl s TRP 590 CO -0.06 -1.99 0.00 0.41 0.02 0.00 0.00 176.95 175.33 2pnl n GLY 591 N 1.84 0.37 3.69 0.98 0.00 -0.44 -0.31 105.19 111.32 2pnl n GLY 591 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 4.13 -1.66 -0.61 -4.36 -1.25 -1.42 121.20 114.03 2pnl s ILE 592 Ca 0.00 -0.73 0.22 0.00 -0.26 0.00 0.00 60.65 59.89 2pnl s ILE 592 Cb 0.00 -2.89 -0.07 0.00 1.25 0.00 0.00 42.46 40.76 2pnl s ILE 592 CO 0.00 0.29 1.06 0.61 0.24 0.00 0.00 174.94 177.14 2pnl n GLY 593 N 1.10 -0.37 3.07 6.27 0.00 -0.34 -3.99 105.19 110.94 2pnl n GLY 593 Ca -0.13 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.66 0.55 0.65 1.61 2.02 -1.26 -5.01 118.70 114.59 2pnl s GLU 594 Ca 0.15 -0.76 -0.17 0.00 0.02 0.00 0.00 54.97 54.20 2pnl s GLU 594 Cb 0.17 -0.33 -0.01 0.00 0.10 0.00 0.00 34.13 34.07 2pnl s GLU 594 CO 0.67 0.06 1.22 -0.51 0.02 0.00 0.00 175.26 176.72 2pnl s ASP 595 N -1.57 4.76 -0.25 -0.19 1.01 -1.26 -4.69 116.67 114.48 2pnl s ASP 595 Ca -0.09 2.40 -0.08 0.00 0.71 0.00 0.00 52.55 55.49 2pnl s ASP 595 Cb -0.10 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 2pnl s ASP 595 CO 0.01 -1.88 0.10 -0.63 0.21 0.00 0.00 175.17 172.97 2pnl s ILE 596 N -1.71 4.59 -0.85 0.77 1.01 -0.57 -4.96 121.20 119.48 2pnl s ILE 596 Ca 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.34 2pnl s ILE 596 Cb -0.31 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.01 2pnl s ILE 596 CO 0.39 0.33 0.45 -0.81 0.00 0.00 0.00 174.94 175.30 2pnl n PRO 597 N 4.82 0.79 -4.09 2.79 -0.04 -1.26 -2.09 135.00 135.91 2pnl n PRO 597 Ca -0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.21 2pnl n PRO 597 Cb 0.52 -1.35 -0.09 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.82 0.73 0.44 0.54 -0.71 -1.26 -4.82 117.98 112.08 2pnl s PHE 598 Ca 0.00 -1.10 -0.22 0.00 -1.04 0.00 0.00 56.93 54.57 2pnl s PHE 598 Cb 0.00 -0.35 -0.09 0.00 -1.21 0.00 0.00 43.02 41.37 2pnl s PHE 598 CO 0.00 -0.59 1.05 -1.21 -1.34 0.00 0.00 175.22 173.13 2pnl s GLU 599 N -4.03 4.00 0.00 1.99 2.02 -1.26 -1.09 118.70 120.33 2pnl s GLU 599 Ca 0.23 1.46 0.00 0.00 0.02 0.00 0.00 54.97 56.68 2pnl s GLU 599 Cb 0.06 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.94 2pnl s GLU 599 CO 0.02 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.43 2pnl n GLY 600 N 0.10 0.85 2.39 -1.39 0.00 -1.22 -4.87 105.19 101.04 2pnl n GLY 600 Ca 0.07 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.18 5.81 -3.38 1.61 5.75 -1.18 -4.89 116.55 119.10 2pnl n ASP 601 Ca 0.00 -3.76 -0.30 0.00 -0.01 0.00 0.00 54.79 50.72 2pnl n ASP 601 Cb 0.00 -0.62 0.03 0.00 -1.03 0.00 0.00 41.12 39.50 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 -0.64 -6.05 -3.81 -1.12 4.13 0.04 -4.98 115.26 102.83 2pnl n ASN 602 Ca 0.47 -0.09 -0.13 0.00 1.68 0.00 0.00 54.58 56.52 2pnl n ASN 602 Cb 0.68 -2.60 -0.13 0.00 -1.54 0.00 0.00 39.78 36.19 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 0.33 1.48 -0.03 0.00 2.02 -0.23 -0.15 117.35 120.78 2pnl s TYR 605 Ca -0.02 -0.99 0.03 0.00 -0.37 0.00 0.00 57.07 55.72 2pnl s TYR 605 Cb -0.03 -0.86 0.00 0.00 -0.40 0.00 0.00 41.96 40.67 2pnl s TYR 605 CO -0.01 -0.13 -0.11 0.99 -1.57 0.00 0.00 175.55 174.71 2pnl s THR 606 N -3.53 0.96 -0.42 -0.71 2.01 -0.22 -0.66 115.64 113.06 2pnl s THR 606 Ca 0.29 -0.46 -0.19 0.00 0.31 0.00 0.00 61.69 61.64 2pnl s THR 606 Cb 0.06 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.75 2pnl s THR 606 CO 0.08 0.29 0.56 0.00 -0.69 0.00 0.00 174.62 174.86 2pnl s ALA 607 N 0.14 3.39 -0.05 7.40 0.00 0.58 -1.69 121.76 131.54 2pnl s ALA 607 Ca -0.03 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.69 2pnl s ALA 607 Cb -0.09 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2pnl s ALA 607 CO 0.01 -1.64 -0.16 -0.51 0.00 0.00 0.00 175.76 173.46 2pnl s LEU 608 N 2.53 2.62 0.05 0.00 1.43 0.45 -4.65 118.68 121.12 2pnl s LEU 608 Ca 0.19 -0.24 -0.32 0.00 -1.03 0.00 0.00 54.13 52.72 2pnl s LEU 608 Cb -0.15 -1.52 -0.11 0.00 0.03 0.00 0.00 46.19 44.44 2pnl s LEU 608 CO 0.16 0.34 1.84 -2.65 0.23 0.00 0.00 176.35 176.27 2pnl n PRO 609 N 2.35 2.56 -3.42 1.29 -0.02 -1.26 0.17 135.00 136.67 2pnl n PRO 609 Ca -0.17 0.93 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 2pnl n PRO 609 Cb 0.52 -2.81 -0.09 0.00 -0.02 0.00 0.00 33.50 31.10 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 3.18 4.55 -0.13 2.45 2.96 -0.23 -3.20 118.68 128.27 2pnl s LEU 610 Ca 0.86 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 54.35 2pnl s LEU 610 Cb -0.56 -2.30 -0.25 0.00 0.50 0.00 0.00 46.19 43.58 2pnl s LEU 610 CO 0.42 -0.36 0.34 1.17 -1.32 0.00 0.00 176.35 176.60 2pnl n LYS 611 N 5.35 0.75 -3.68 1.98 4.81 0.17 -4.47 118.16 123.08 2pnl n LYS 611 Ca -0.10 0.25 -0.11 0.00 -0.87 0.00 0.00 58.31 57.49 2pnl n LYS 611 Cb 0.49 -1.70 -0.09 0.00 0.02 0.00 0.00 35.03 33.75 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 -2.56 0.58 -0.18 1.64 2.12 -0.89 -4.99 118.70 114.42 2pnl s GLU 612 Ca -0.22 0.88 -0.04 0.00 0.36 0.00 0.00 54.97 55.94 2pnl s GLU 612 Cb 0.07 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.61 2pnl s GLU 612 CO 0.76 -0.12 -0.02 -1.50 -0.54 0.00 0.00 175.26 173.84 2pnl s ILE 613 N 0.93 3.88 0.50 -3.70 2.07 -1.26 -0.07 121.20 123.55 2pnl s ILE 613 Ca -0.05 -0.35 -0.01 0.00 -1.41 0.00 0.00 60.65 58.84 2pnl s ILE 613 Cb -0.05 -2.73 0.01 0.00 0.13 0.00 0.00 42.46 39.81 2pnl s ILE 613 CO -0.08 0.45 0.74 -0.54 -1.91 0.00 0.00 174.94 173.60 2pnl s LYS 614 N 0.78 2.90 0.16 3.50 1.02 -0.37 -4.97 119.74 122.76 2pnl s LYS 614 Ca -0.00 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 2pnl s LYS 614 Cb -0.14 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 2pnl s LYS 614 CO 0.02 -0.46 1.54 0.07 -0.92 0.00 0.00 175.35 175.60 2pnl h ARG 615 N 0.21 -0.02 0.00 1.68 0.11 -2.00 -0.82 114.38 113.54 2pnl h ARG 615 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2pnl h ARG 615 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2pnl h ARG 615 CO 0.57 -0.01 0.00 0.27 0.10 0.00 0.00 179.97 180.90 2pnl n ASN 616 N -5.27 0.00 0.00 0.08 6.94 -1.26 -4.87 115.26 110.88 2pnl n ASN 616 Ca 0.02 -0.80 0.00 0.00 -0.02 0.00 0.00 54.58 53.79 2pnl n ASN 616 Cb 0.27 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 2pnl n ASN 616 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pnl n GLY 617 N 0.69 2.08 3.70 4.83 0.00 -0.31 -4.81 105.19 111.36 2pnl n GLY 617 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 2.96 -4.46 1.61 4.13 -1.26 -4.01 115.26 114.23 2pnl n ASN 618 Ca 0.00 1.17 -0.33 0.00 1.68 0.00 0.00 54.58 57.11 2pnl n ASN 618 Cb 0.00 -1.48 -0.13 0.00 -1.54 0.00 0.00 39.78 36.62 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 -0.52 3.04 -0.30 2.41 -4.36 -0.57 -1.24 121.20 119.65 2pnl s ILE 619 Ca 0.62 -0.73 -0.10 0.00 -0.26 0.00 0.00 60.65 60.18 2pnl s ILE 619 Cb -0.59 -2.20 -0.02 0.00 1.25 0.00 0.00 42.46 40.91 2pnl s ILE 619 CO 0.55 0.58 0.16 -0.69 0.24 0.00 0.00 174.94 175.78 2pnl s VAL 620 N -0.60 4.75 0.24 8.37 1.01 0.90 0.16 120.40 135.22 2pnl s VAL 620 Ca 0.09 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 61.91 2pnl s VAL 620 Cb -0.11 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2pnl s VAL 620 CO 0.01 0.13 -0.09 -0.69 0.00 0.00 0.00 175.10 174.47 2pnl s VAL 621 N 1.65 3.12 0.30 2.92 1.01 0.10 0.45 120.40 129.95 2pnl s VAL 621 Ca 0.05 -1.93 -0.14 0.00 0.00 0.00 0.00 61.98 59.96 2pnl s VAL 621 Cb -0.17 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.62 2pnl s VAL 621 CO 0.07 -0.28 0.61 -1.83 0.00 0.00 0.00 175.10 173.67 2pnl s GLU 622 N -3.31 1.83 -0.04 2.72 -1.05 -1.19 -0.44 118.70 117.21 2pnl s GLU 622 Ca 0.28 -1.31 -0.04 0.00 -0.15 0.00 0.00 54.97 53.75 2pnl s GLU 622 Cb -0.07 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 2pnl s GLU 622 CO 0.17 -0.81 0.18 0.15 0.95 0.00 0.00 175.26 175.90 2pnl s LYS 623 N -3.44 3.45 0.04 -4.83 1.02 0.58 -4.29 119.74 112.27 2pnl s LYS 623 Ca 0.19 -0.26 0.05 0.00 0.02 0.00 0.00 55.97 55.97 2pnl s LYS 623 Cb -0.03 -3.12 -0.02 0.00 -0.52 0.00 0.00 37.83 34.14 2pnl s LYS 623 CO 0.11 0.70 -0.15 0.96 -0.92 0.00 0.00 175.35 176.05 2pnl s ILE 624 N -1.25 1.20 -0.74 2.17 -4.36 -1.26 -1.39 121.20 115.56 2pnl s ILE 624 Ca 0.24 -1.07 -0.22 0.00 -0.26 0.00 0.00 60.65 59.34 2pnl s ILE 624 Cb -0.12 -1.09 0.07 0.00 1.25 0.00 0.00 42.46 42.57 2pnl s ILE 624 CO 0.15 0.01 1.07 0.12 0.24 0.00 0.00 174.94 176.53 2pnl s PHE 625 N -0.89 2.69 -0.09 1.37 5.36 -1.26 -4.51 117.98 120.65 2pnl s PHE 625 Ca 0.02 -0.66 -0.32 0.00 -0.96 0.00 0.00 56.93 55.01 2pnl s PHE 625 Cb -0.08 -4.37 0.12 0.00 -0.34 0.00 0.00 43.02 38.36 2pnl s PHE 625 CO 0.01 -1.70 1.19 0.00 -1.46 0.00 0.00 175.22 173.27 2pnl s ALA 626 N 4.10 -2.08 1.09 11.12 0.00 -1.26 -5.09 121.76 129.64 2pnl s ALA 626 Ca 0.27 1.13 -0.09 0.00 0.00 0.00 0.00 51.96 53.27 2pnl s ALA 626 Cb -0.12 0.15 0.13 0.00 0.00 0.00 0.00 23.12 23.28 2pnl s ALA 626 CO 0.06 -0.80 0.53 0.41 0.00 0.00 0.00 175.76 175.96 2pnl n GLY 627 N -0.27 -2.34 3.75 0.00 0.00 -1.26 -4.15 105.19 100.91 2pnl n GLY 627 Ca -0.04 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 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 -4.19 0.45 0.59 1.61 0.04 -1.24 -4.67 135.00 127.58 2pnl s PRO 628 Ca 0.33 0.16 -0.16 0.00 0.04 0.00 0.00 61.00 61.38 2pnl s PRO 628 Cb -0.03 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2pnl s PRO 628 CO 0.25 -2.64 1.06 0.42 0.04 0.00 0.00 177.00 176.13 2pnl s ILE 629 N -3.25 3.76 0.33 0.56 1.01 -0.51 -4.68 121.20 118.43 2pnl s ILE 629 Ca 0.67 0.86 0.00 0.00 0.00 0.00 0.00 60.65 62.18 2pnl s ILE 629 Cb -0.13 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2pnl s ILE 629 CO 0.55 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2pnl n GLY 631 N -0.88 -1.76 1.03 6.18 0.00 -1.26 -1.19 105.19 107.31 2pnl n GLY 631 Ca 0.09 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.55 2.37 0.00 1.61 -0.04 -1.26 -4.57 135.00 129.56 2pnl n PRO 632 Ca -0.02 -2.04 0.14 0.00 -0.04 0.00 0.00 63.50 61.54 2pnl n PRO 632 Cb 0.63 -1.49 0.60 0.00 -0.04 0.00 0.00 33.50 33.21 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 1.30 0.14 -0.03 3.54 3.41 -1.26 -2.01 113.62 118.71 2pnl n SER 633 Ca 0.18 0.09 0.15 0.00 -0.26 0.00 0.00 58.87 59.03 2pnl n SER 633 Cb 0.57 -0.29 0.84 0.00 -0.26 0.00 0.00 64.21 65.07 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 -1.37 2.62 0.03 7.33 0.00 -1.26 -1.33 120.51 126.53 2pnl n ALA 634 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 2pnl n ALA 634 Cb 0.31 -1.48 0.17 0.00 0.00 0.00 0.00 19.45 18.45 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 0.16 0.44 0.47 0.00 4.20 -1.35 -2.27 115.11 116.76 2pnl h GLN 635 Ca 0.00 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 2pnl h GLN 635 Cb 0.15 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2pnl h GLN 635 CO 0.00 0.74 -0.24 1.25 -0.67 0.00 0.00 178.83 179.91 2pnl h LEU 636 N 0.37 -0.58 -0.51 1.46 5.85 -1.13 0.19 115.31 120.97 2pnl h LEU 636 Ca 0.04 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.88 2pnl h LEU 636 Cb 0.81 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.89 2pnl h LEU 636 CO 0.07 -0.40 -0.27 1.23 -0.34 0.00 0.00 178.44 178.72 2pnl h GLY 637 N -0.65 -0.00 1.26 3.75 0.00 -1.78 -1.62 103.07 104.02 2pnl h GLY 637 Ca -0.06 0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 2pnl h GLY 637 CO 0.09 -0.22 0.08 1.41 0.00 0.00 0.00 176.54 177.90 2pnl h LEU 638 N -0.15 0.87 -0.91 3.11 3.38 -1.31 -1.12 115.31 119.18 2pnl h LEU 638 Ca 0.22 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2pnl h LEU 638 Cb 0.51 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2pnl h LEU 638 CO -0.60 0.88 -0.20 -1.28 0.09 0.00 0.00 178.44 177.34 2pnl h SER 639 N 0.86 0.58 0.03 -0.43 0.87 -0.58 -2.57 113.55 112.31 2pnl h SER 639 Ca 0.17 -0.18 -0.18 0.00 -1.23 0.00 0.00 61.79 60.37 2pnl h SER 639 Cb 0.40 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2pnl h SER 639 CO 0.01 0.78 -0.66 -0.07 -0.53 0.00 0.00 176.83 176.37 2pnl h LEU 640 N 0.52 0.69 -0.67 2.23 3.38 -0.83 -2.63 115.31 118.00 2pnl h LEU 640 Ca 0.08 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2pnl h LEU 640 Cb 0.63 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2pnl h LEU 640 CO 0.04 1.16 0.32 0.25 0.09 0.00 0.00 178.44 180.30 2pnl h LEU 641 N 0.43 0.88 -0.49 1.67 5.85 -0.97 0.13 115.31 122.81 2pnl h LEU 641 Ca -0.02 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2pnl h LEU 641 Cb 1.23 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2pnl h LEU 641 CO 0.12 0.76 -0.57 1.33 -0.34 0.00 0.00 178.44 179.74 2pnl n VAL 642 N -4.46 0.00 -0.00 1.05 0.24 -0.99 -4.04 118.33 110.13 2pnl n VAL 642 Ca 0.05 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 2pnl n VAL 642 Cb 0.13 0.87 -0.01 0.00 -1.47 0.00 0.00 33.84 33.35 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 -0.75 4.63 0.00 -1.34 5.03 -0.99 -4.40 115.26 117.44 2pnl n ASN 643 Ca 0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.53 2pnl n ASN 643 Cb 0.39 0.94 0.00 0.00 -1.02 0.00 0.00 39.78 40.09 2pnl n ASN 643 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2pnl n ASP 644 N -1.68 0.50 -4.73 6.41 8.00 -0.27 -5.06 116.55 119.73 2pnl n ASP 644 Ca -0.01 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.09 2pnl n ASP 644 Cb 0.16 0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 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 -1.11 4.93 0.00 0.53 1.01 0.30 -4.91 121.20 121.95 2pnl s ILE 645 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.16 2pnl s ILE 645 Cb 0.00 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2pnl s ILE 645 CO 0.00 0.29 0.00 -0.62 0.00 0.00 0.00 174.94 174.61 2pnl n GLU 646 N 3.40 0.53 -3.74 2.79 4.71 -1.26 -4.76 120.64 122.32 2pnl n GLU 646 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.01 2pnl n GLU 646 Cb 0.51 -0.99 -0.11 0.00 -1.01 0.00 0.00 31.44 29.84 2pnl n GLU 646 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2pnl s ASP 647 N -3.84 -0.38 0.00 1.62 1.01 -1.26 -4.68 116.67 109.15 2pnl s ASP 647 Ca 0.00 0.71 0.00 0.00 0.71 0.00 0.00 52.55 53.97 2pnl s ASP 647 Cb 0.00 0.67 0.00 0.00 1.01 0.00 0.00 42.92 44.60 2pnl s ASP 647 CO 0.00 -0.14 0.00 0.61 0.21 0.00 0.00 175.17 175.85 2pnl n GLY 648 N 3.35 -1.40 3.12 0.21 0.00 -0.22 -4.89 105.19 105.36 2pnl n GLY 648 Ca -0.17 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.21 2.18 0.23 1.61 1.01 -1.26 -2.50 120.40 120.46 2pnl s VAL 649 Ca 0.00 -1.09 -0.32 0.00 0.00 0.00 0.00 61.98 60.58 2pnl s VAL 649 Cb 0.00 -2.01 -0.13 0.00 0.00 0.00 0.00 36.38 34.23 2pnl s VAL 649 CO 0.00 0.39 1.46 -2.65 0.00 0.00 0.00 175.10 174.30 2pnl n PRO 650 N 4.59 2.12 -2.66 2.72 -0.02 -1.26 -5.01 135.00 135.48 2pnl n PRO 650 Ca -0.19 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.61 2pnl n PRO 650 Cb 0.48 -2.45 -0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 -0.13 4.00 -0.12 -0.52 1.81 -1.26 -4.70 118.95 118.03 2pnl s ARG 651 Ca 0.70 -2.11 -0.04 0.00 -1.72 0.00 0.00 55.73 52.57 2pnl s ARG 651 Cb -0.64 -5.44 0.06 0.00 -0.45 0.00 0.00 34.95 28.48 2pnl s ARG 651 CO 0.47 -2.16 0.19 0.08 -0.68 0.00 0.00 175.30 173.20 2pnl s VAL 653 N 3.70 -0.30 -0.08 3.52 1.01 -0.48 -4.43 120.40 123.34 2pnl s VAL 653 Ca 0.52 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.58 2pnl s VAL 653 Cb 0.03 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 2pnl s VAL 653 CO 0.06 0.04 0.30 -0.36 0.00 0.00 0.00 175.10 175.15 2pnl s PHE 654 N 2.32 3.61 -0.05 5.22 0.08 -0.72 0.75 117.98 129.19 2pnl s PHE 654 Ca 0.04 0.75 -0.02 0.00 0.12 0.00 0.00 56.93 57.81 2pnl s PHE 654 Cb -0.13 -2.22 0.03 0.00 -0.57 0.00 0.00 43.02 40.13 2pnl s PHE 654 CO -0.08 0.54 0.11 -0.08 -0.10 0.00 0.00 175.22 175.61 2pnl s THR 655 N -0.57 -0.04 0.00 0.64 -1.32 -0.91 -4.08 115.64 109.35 2pnl s THR 655 Ca 0.19 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 2pnl s THR 655 Cb -0.14 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 70.65 2pnl s THR 655 CO 0.08 0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 2pnl n GLY 656 N 4.04 4.22 3.80 6.08 0.00 -0.44 -4.47 105.19 118.42 2pnl n GLY 656 Ca -0.25 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.88 4.43 -0.23 1.61 2.12 -0.73 -0.75 118.70 122.26 2pnl s GLU 657 Ca 0.00 1.16 -0.08 0.00 0.36 0.00 0.00 54.97 56.41 2pnl s GLU 657 Cb 0.00 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 2pnl s GLU 657 CO 0.00 0.25 0.09 0.42 -0.54 0.00 0.00 175.26 175.48 2pnl s ILE 658 N -1.71 4.65 1.26 -3.70 -1.09 -1.26 -0.49 121.20 118.87 2pnl s ILE 658 Ca 0.51 -0.06 -0.17 0.00 -2.23 0.00 0.00 60.65 58.69 2pnl s ILE 658 Cb -0.16 -3.16 0.31 0.00 -1.58 0.00 0.00 42.46 37.87 2pnl s ILE 658 CO 0.21 0.36 1.00 0.00 -1.23 0.00 0.00 174.94 175.28 2pnl s ALA 659 N 1.23 -0.44 0.39 9.38 0.00 -0.86 -4.87 121.76 126.58 2pnl s ALA 659 Ca 0.05 -0.50 0.16 0.00 0.00 0.00 0.00 51.96 51.67 2pnl s ALA 659 Cb -0.14 -3.08 1.02 0.00 0.00 0.00 0.00 23.12 20.92 2pnl s ALA 659 CO 0.04 -4.08 1.81 -0.44 0.00 0.00 0.00 175.76 173.09 2pnl h ASP 660 N -2.90 0.50 0.64 0.00 3.32 -1.98 -1.21 116.42 114.79 2pnl h ASP 660 Ca -0.53 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2pnl h ASP 660 Cb 1.34 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2pnl h ASP 660 CO 0.42 0.16 0.00 -0.90 -1.72 0.00 0.00 179.24 177.19 2pnl n ASP 661 N -4.60 0.02 -1.66 6.45 5.68 -1.26 -4.87 116.55 116.31 2pnl n ASP 661 Ca 0.23 0.50 -0.19 0.00 -0.50 0.00 0.00 54.79 54.83 2pnl n ASP 661 Cb 0.75 -0.51 -0.06 0.00 -1.14 0.00 0.00 41.12 40.16 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 -1.53 -1.36 0.00 0.11 1.02 -0.46 -4.77 120.64 113.66 2pnl n GLU 662 Ca 0.04 1.07 0.00 0.00 -0.02 0.00 0.00 57.16 58.25 2pnl n GLU 662 Cb 0.22 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.20 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 -2.57 0.00 -2.14 3.49 4.07 -1.26 -4.75 120.64 117.49 2pnl n GLU 663 Ca -0.20 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.49 2pnl n GLU 663 Cb 0.63 -0.37 -0.03 0.00 -0.06 0.00 0.00 31.44 31.61 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 -1.87 2.90 -0.27 6.31 2.01 -1.26 -1.57 115.64 121.89 2pnl s THR 664 Ca 0.00 0.80 -0.07 0.00 0.31 0.00 0.00 61.69 62.72 2pnl s THR 664 Cb 0.00 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 2pnl s THR 664 CO 0.00 0.15 0.08 -0.63 -0.69 0.00 0.00 174.62 173.53 2pnl s ILE 665 N -0.40 4.24 -0.15 1.82 1.01 -1.26 -2.03 121.20 124.41 2pnl s ILE 665 Ca 0.54 -0.35 -0.20 0.00 0.00 0.00 0.00 60.65 60.64 2pnl s ILE 665 Cb -0.39 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 2pnl s ILE 665 CO 0.45 0.24 0.60 -0.63 0.00 0.00 0.00 174.94 175.60 2pnl s ILE 666 N 1.58 5.07 0.84 2.92 1.01 0.36 -4.85 121.20 128.13 2pnl s ILE 666 Ca 0.05 1.16 -0.11 0.00 0.00 0.00 0.00 60.65 61.75 2pnl s ILE 666 Cb -0.16 -3.93 0.09 0.00 0.01 0.00 0.00 42.46 38.48 2pnl s ILE 666 CO 0.03 0.19 1.09 -2.16 0.00 0.00 0.00 174.94 174.10 2pnl s PRO 667 N 1.38 1.75 0.15 2.79 0.04 -1.26 -1.77 135.00 138.08 2pnl s PRO 667 Ca 0.29 0.82 0.07 0.00 0.04 0.00 0.00 61.00 62.22 2pnl s PRO 667 Cb -0.16 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2pnl s PRO 667 CO 0.12 -1.90 -0.02 0.96 0.04 0.00 0.00 177.00 176.19 2pnl s ILE 668 N -3.01 3.67 0.48 0.56 -4.36 -1.26 -4.81 121.20 112.47 2pnl s ILE 668 Ca 0.62 -1.36 -0.15 0.00 -0.26 0.00 0.00 60.65 59.50 2pnl s ILE 668 Cb -0.16 -2.81 -0.07 0.00 1.25 0.00 0.00 42.46 40.66 2pnl s ILE 668 CO 0.56 -0.05 0.92 0.00 0.24 0.00 0.00 174.94 176.61 2pnl n GLY 670 N -1.47 0.41 0.28 0.00 0.00 -1.26 -4.96 105.19 98.19 2pnl n GLY 670 Ca 0.05 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.23 2pnl n GLY 670 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2pnl h VAL 671 N -0.00 1.16 -0.41 1.61 3.04 -1.95 -2.07 116.25 117.63 2pnl h VAL 671 Ca -0.01 -0.58 -0.01 0.00 -1.01 0.00 0.00 66.70 65.09 2pnl h VAL 671 Cb 1.01 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 31.11 2pnl h VAL 671 CO 0.01 0.21 0.21 0.44 -1.01 0.00 0.00 177.57 177.43 2pnl h ASP 672 N 0.48 0.52 -0.61 3.17 5.19 -1.93 0.17 116.42 123.41 2pnl h ASP 672 Ca 0.11 -0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 2pnl h ASP 672 Cb 0.21 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.55 2pnl h ASP 672 CO -0.00 0.48 0.39 0.40 -3.12 0.00 0.00 179.24 177.38 2pnl h ILE 673 N 0.53 1.11 -0.33 0.35 1.08 -1.77 -1.70 117.51 116.78 2pnl h ILE 673 Ca 0.14 -0.27 -0.10 0.00 -0.39 0.00 0.00 64.86 64.25 2pnl h ILE 673 Cb 0.08 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.09 2pnl h ILE 673 CO -0.02 0.14 -0.21 0.00 -0.69 0.00 0.00 178.15 177.37 2pnl h ALA 674 N 1.24 1.02 -0.01 1.87 0.00 -1.15 -2.41 119.26 119.82 2pnl h ALA 674 Ca 0.23 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2pnl h ALA 674 Cb -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2pnl h ALA 674 CO -0.08 0.58 0.01 0.00 0.00 0.00 0.00 179.25 179.77 2pnl h ALA 675 N 1.22 0.02 -0.45 0.00 0.00 -0.13 -1.13 119.26 118.78 2pnl h ALA 675 Ca 0.08 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2pnl h ALA 675 Cb 0.67 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 2pnl h ALA 675 CO 0.05 -0.41 -0.01 0.82 0.00 0.00 0.00 179.25 179.70 2pnl h ILE 676 N -0.12 0.64 -0.49 0.00 2.04 -1.26 0.39 117.51 118.70 2pnl h ILE 676 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2pnl h ILE 676 Cb 0.15 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2pnl h ILE 676 CO -0.00 0.02 0.31 0.00 0.00 0.00 0.00 178.15 178.48 2pnl h ALA 677 N 1.41 0.63 -0.41 1.87 0.00 -1.29 -0.94 119.26 120.53 2pnl h ALA 677 Ca 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2pnl h ALA 677 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2pnl h ALA 677 CO -0.39 0.09 0.19 0.00 0.00 0.00 0.00 179.25 179.15 2pnl h ALA 678 N 1.16 0.53 -0.57 0.00 0.00 0.11 -3.28 119.26 117.22 2pnl h ALA 678 Ca 0.18 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2pnl h ALA 678 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2pnl h ALA 678 CO -0.04 0.10 -0.08 0.45 0.00 0.00 0.00 179.25 179.68 2pnl h HIS 679 N 0.52 1.17 -1.32 0.00 -0.00 -0.68 -1.92 115.15 112.92 2pnl h HIS 679 Ca 0.14 -0.23 0.47 0.00 -0.00 0.00 0.00 60.37 60.75 2pnl h HIS 679 Cb 0.13 -0.29 -0.15 0.00 -0.00 0.00 0.00 27.41 27.10 2pnl h HIS 679 CO -0.01 1.07 0.83 0.39 -0.00 0.00 0.00 177.93 180.21 2pnl n GLU 680 N -4.15 -0.04 -0.28 2.45 1.02 -0.38 0.15 120.64 119.41 2pnl n GLU 680 Ca 0.02 1.28 0.08 0.00 -0.02 0.00 0.00 57.16 58.51 2pnl n GLU 680 Cb 0.39 -2.48 0.23 0.00 -0.02 0.00 0.00 31.44 29.56 2pnl n GLU 680 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2pnl n GLN 681 N -4.81 2.89 -2.61 3.49 6.02 -0.91 -4.97 117.38 116.48 2pnl n GLN 681 Ca 0.40 -2.34 -0.10 0.00 -0.01 0.00 0.00 57.00 54.95 2pnl n GLN 681 Cb 1.53 -1.43 0.02 0.00 1.02 0.00 0.00 30.24 31.38 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 0.88 0.16 3.24 1.08 0.00 0.12 -5.00 105.19 105.67 2pnl n GLY 682 Ca 0.17 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.25 2.26 0.40 0.99 1.43 -0.77 -5.00 118.68 114.74 2pnl s LEU 683 Ca 0.14 -0.62 -0.21 0.00 -1.03 0.00 0.00 54.13 52.41 2pnl s LEU 683 Cb -0.06 -0.81 -0.11 0.00 0.03 0.00 0.00 46.19 45.24 2pnl s LEU 683 CO 0.17 0.05 0.92 -2.16 0.23 0.00 0.00 176.35 175.56 2pnl s PRO 684 N -1.66 4.23 -0.06 1.29 0.04 -1.26 -3.51 135.00 134.06 2pnl s PRO 684 Ca 0.05 1.07 -0.23 0.00 0.04 0.00 0.00 61.00 61.93 2pnl s PRO 684 Cb -0.10 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2pnl s PRO 684 CO 0.03 0.03 0.69 -1.17 0.04 0.00 0.00 177.00 176.62 2pnl s LEU 685 N -3.03 4.32 -0.09 -3.56 2.96 -1.26 -1.38 118.68 116.63 2pnl s LEU 685 Ca 0.60 1.18 0.04 0.00 -0.22 0.00 0.00 54.13 55.72 2pnl s LEU 685 Cb -0.10 -3.06 0.00 0.00 0.50 0.00 0.00 46.19 43.53 2pnl s LEU 685 CO 0.15 -0.10 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.22 2pnl s ILE 686 N 0.75 1.93 -0.01 6.68 -1.09 0.23 -0.86 121.20 128.82 2pnl s ILE 686 Ca 0.37 -0.94 -0.22 0.00 -2.23 0.00 0.00 60.65 57.63 2pnl s ILE 686 Cb -0.18 -1.67 0.07 0.00 -1.58 0.00 0.00 42.46 39.10 2pnl s ILE 686 CO 0.18 0.53 0.98 0.61 -1.23 0.00 0.00 174.94 176.00 2pnl n GLY 687 N 3.56 0.33 2.77 6.18 0.00 -1.18 -2.14 105.19 114.71 2pnl n GLY 687 Ca -0.20 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.87 5.71 -3.57 1.61 4.05 -1.24 -1.47 115.26 119.48 2pnl n ASN 688 Ca 0.03 -3.63 -0.07 0.00 0.45 0.00 0.00 54.58 51.37 2pnl n ASN 688 Cb 0.44 -0.88 -0.02 0.00 1.23 0.00 0.00 39.78 40.55 2pnl n ASN 688 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pnl s GLN 689 N -3.61 0.86 0.52 1.20 -2.07 -1.26 -4.51 119.66 110.80 2pnl s GLN 689 Ca 0.42 -0.37 -0.22 0.00 -1.82 0.00 0.00 55.36 53.37 2pnl s GLN 689 Cb 0.20 0.36 -0.05 0.00 -1.09 0.00 0.00 33.01 32.43 2pnl s GLN 689 CO -0.09 -0.38 1.26 -2.14 -1.32 0.00 0.00 175.29 172.62 2pnl s PRO 690 N -3.10 3.33 0.00 9.60 0.02 -1.26 -3.67 135.00 139.92 2pnl s PRO 690 Ca 0.07 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.09 2pnl s PRO 690 Cb -0.01 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.26 2pnl s PRO 690 CO -0.06 -0.97 0.00 0.41 -0.33 0.00 0.00 177.00 176.05 2pnl n GLY 691 N 0.59 2.67 3.91 0.52 0.00 -1.26 -4.98 105.19 106.64 2pnl n GLY 691 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.42 4.93 0.08 1.61 -7.23 -1.24 -4.86 120.40 111.26 2pnl s VAL 692 Ca 0.00 0.15 -0.09 0.00 -1.81 0.00 0.00 61.98 60.23 2pnl s VAL 692 Cb 0.00 -3.84 -0.27 0.00 0.56 0.00 0.00 36.38 32.83 2pnl s VAL 692 CO 0.00 -0.74 1.15 0.44 -0.31 0.00 0.00 175.10 175.64 2pnl h ASP 693 N 0.52 0.64 -3.33 4.85 3.32 -1.35 -3.45 116.42 117.61 2pnl h ASP 693 Ca -0.47 -0.61 -0.45 0.00 0.02 0.00 0.00 57.03 55.51 2pnl h ASP 693 Cb 1.20 -0.20 -0.36 0.00 0.22 0.00 0.00 39.33 40.19 2pnl h ASP 693 CO 0.62 1.45 -0.78 -1.61 -1.72 0.00 0.00 179.24 177.20 2pnl s GLU 694 N -2.88 0.95 0.06 3.56 8.01 -1.14 -5.01 118.70 122.25 2pnl s GLU 694 Ca -0.07 -0.08 -0.18 0.00 0.01 0.00 0.00 54.97 54.66 2pnl s GLU 694 Cb 0.07 -1.07 -0.06 0.00 -4.31 0.00 0.00 34.13 28.75 2pnl s GLU 694 CO 0.90 -0.19 0.52 -1.21 0.01 0.00 0.00 175.26 175.30 2pnl s GLU 695 N 1.41 4.10 -0.13 1.61 2.02 -1.26 -3.09 118.70 123.37 2pnl s GLU 695 Ca -0.03 0.63 -0.01 0.00 0.02 0.00 0.00 54.97 55.58 2pnl s GLU 695 Cb -0.13 -3.21 0.03 0.00 0.10 0.00 0.00 34.13 30.92 2pnl s GLU 695 CO -0.03 0.64 -0.04 0.14 0.02 0.00 0.00 175.26 175.99 2pnl s VAL 696 N -1.13 0.86 0.08 2.63 -7.23 -0.54 -4.94 120.40 110.12 2pnl s VAL 696 Ca 0.28 -0.32 0.21 0.00 -1.81 0.00 0.00 61.98 60.33 2pnl s VAL 696 Cb -0.18 -1.00 0.18 0.00 0.56 0.00 0.00 36.38 35.93 2pnl s VAL 696 CO 0.17 0.22 1.73 -0.09 -0.31 0.00 0.00 175.10 176.82 2pnl h ARG 697 N 8.20 0.00 -3.38 4.82 9.65 -1.95 -3.28 114.38 128.44 2pnl h ARG 697 Ca -0.24 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.58 2pnl h ARG 697 Cb 1.12 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.65 2pnl h ARG 697 CO 0.36 0.31 0.08 0.54 2.80 0.00 0.00 179.97 184.06 2pnl s ASN 698 N -6.31 0.10 0.35 -3.80 2.20 -1.26 -4.11 114.94 102.11 2pnl s ASN 698 Ca 0.01 -1.04 0.06 0.00 -0.94 0.00 0.00 52.86 50.95 2pnl s ASN 698 Cb 0.10 0.72 0.64 0.00 -2.00 0.00 0.00 41.25 40.72 2pnl s ASN 698 CO 0.67 -1.40 1.88 0.71 -2.94 0.00 0.00 177.10 176.02 2pnl h THR 699 N 2.08 1.19 -0.01 0.54 1.35 -1.58 -2.78 112.91 113.71 2pnl h THR 699 Ca -0.27 -0.80 -0.18 0.00 -0.55 0.00 0.00 66.41 64.61 2pnl h THR 699 Cb 1.25 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 2pnl h THR 699 CO 0.35 0.27 -0.82 0.77 -0.25 0.00 0.00 175.52 175.84 2pnl h SER 700 N 0.43 0.23 -0.37 5.36 4.64 -1.90 -1.42 113.55 120.51 2pnl h SER 700 Ca 0.09 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 2pnl h SER 700 Cb 0.35 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2pnl h SER 700 CO 0.01 0.94 0.10 -0.07 -0.87 0.00 0.00 176.83 176.95 2pnl h LEU 701 N 0.11 0.61 -0.26 5.97 3.38 -1.94 -0.36 115.31 122.82 2pnl h LEU 701 Ca -0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2pnl h LEU 701 Cb 1.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2pnl h LEU 701 CO 0.12 0.62 0.14 0.00 0.09 0.00 0.00 178.44 179.41 2pnl h ALA 702 N 1.47 0.34 -0.91 1.53 0.00 -1.33 -0.66 119.26 119.68 2pnl h ALA 702 Ca 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pnl h ALA 702 Cb 0.26 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2pnl h ALA 702 CO -0.00 -0.12 0.57 0.00 0.00 0.00 0.00 179.25 179.70 2pnl h ALA 703 N 1.01 1.16 -0.63 0.00 0.00 -1.04 -1.62 119.26 118.13 2pnl h ALA 703 Ca 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pnl h ALA 703 Cb 0.09 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2pnl h ALA 703 CO -0.01 0.60 0.38 1.25 0.00 0.00 0.00 179.25 181.47 2pnl h HIS 704 N 1.25 0.83 -0.62 0.00 6.17 -0.93 -2.96 115.15 118.90 2pnl h HIS 704 Ca 0.33 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.47 2pnl h HIS 704 Cb -0.08 -0.27 -0.05 0.00 2.52 0.00 0.00 27.41 29.52 2pnl h HIS 704 CO -0.00 0.57 0.33 1.25 0.71 0.00 0.00 177.93 180.78 2pnl h LEU 705 N 0.86 0.47 -1.08 0.26 6.46 -0.62 -1.50 115.31 120.15 2pnl h LEU 705 Ca 0.23 0.03 0.13 0.00 -0.12 0.00 0.00 57.88 58.15 2pnl h LEU 705 Cb -0.02 -0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 39.77 2pnl h LEU 705 CO -0.04 0.31 0.62 0.40 -0.62 0.00 0.00 178.44 179.10 2pnl h ILE 706 N 0.61 0.89 -0.29 4.05 2.04 -1.15 0.38 117.51 124.03 2pnl h ILE 706 Ca 0.28 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 2pnl h ILE 706 Cb 0.19 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 2pnl h ILE 706 CO -0.19 0.16 -0.08 1.56 0.00 0.00 0.00 178.15 179.61 2pnl h GLN 707 N 0.90 0.57 0.00 2.37 4.20 -1.24 -3.23 115.11 118.68 2pnl h GLN 707 Ca 0.49 -0.22 -0.14 0.00 0.06 0.00 0.00 58.65 58.84 2pnl h GLN 707 Cb 0.57 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2pnl h GLN 707 CO -0.26 0.77 -0.73 1.79 -0.67 0.00 0.00 178.83 179.73 2pnl h THR 708 N 0.34 1.05 0.00 -0.54 1.35 -1.00 -3.47 112.91 110.63 2pnl h THR 708 Ca 0.07 -2.51 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 2pnl h THR 708 Cb 0.56 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2pnl h THR 708 CO 0.03 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 2pnl n GLY 709 N 1.28 2.19 3.22 5.82 0.00 0.13 -4.87 105.19 112.96 2pnl n GLY 709 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 2pnl n GLY 709 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pnl s THR 710 N -0.46 0.00 0.00 2.61 -1.32 -1.26 -4.94 115.64 110.28 2pnl s THR 710 Ca 0.00 -1.97 -0.30 0.00 -1.21 0.00 0.00 61.69 58.21 2pnl s THR 710 Cb 0.00 -2.46 -0.05 0.00 -1.51 0.00 0.00 72.50 68.48 2pnl s THR 710 CO 0.00 -0.02 1.29 -0.22 -2.21 0.00 0.00 174.62 173.46 2pnl s LEU 711 N -3.15 4.32 0.69 9.08 2.96 -1.26 -4.97 118.68 126.35 2pnl s LEU 711 Ca 0.37 2.01 -0.17 0.00 -0.22 0.00 0.00 54.13 56.13 2pnl s LEU 711 Cb 0.07 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.17 2pnl s LEU 711 CO 0.11 -0.62 0.86 -2.65 -1.32 0.00 0.00 176.35 172.74 2pnl n PRO 712 N 4.94 0.56 -4.60 0.98 -0.02 -1.26 -5.00 135.00 130.60 2pnl n PRO 712 Ca 0.11 0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 61.50 2pnl n PRO 712 Cb 0.45 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.76 3.61 -0.28 -1.45 1.01 -1.26 -5.11 120.40 115.17 2pnl s VAL 713 Ca 0.73 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 2pnl s VAL 713 Cb -0.37 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2pnl s VAL 713 CO 0.51 0.55 0.13 -1.10 0.00 0.00 0.00 175.10 175.19 2pnl s GLN 714 N -0.23 3.60 -0.23 2.72 -0.21 -1.26 -5.09 119.66 118.96 2pnl s GLN 714 Ca 0.03 -0.53 -0.01 0.00 0.02 0.00 0.00 55.36 54.87 2pnl s GLN 714 Cb -0.13 -3.49 0.02 0.00 1.00 0.00 0.00 33.01 30.42 2pnl s GLN 714 CO 0.03 -0.27 -0.10 0.50 -2.12 0.00 0.00 175.29 173.33 2pnl s ARG 715 N 1.65 2.86 0.00 2.91 3.52 -1.26 -5.35 118.95 123.28 2pnl s ARG 715 Ca 0.06 -0.95 0.25 0.00 -0.13 0.00 0.00 55.73 54.96 2pnl s ARG 715 Cb -0.16 -2.88 0.30 0.00 -1.56 0.00 0.00 34.95 30.65 2pnl s ARG 715 CO 0.06 -0.35 1.32 0.00 -0.81 0.00 0.00 175.30 175.52