#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 2.81 -0.23 1.61 1.02 -0.01 -4.73 119.74 120.20 2pnl s LYS 515 Ca 0.00 -0.53 -0.43 0.00 0.02 0.00 0.00 55.97 55.04 2pnl s LYS 515 Cb 0.00 -2.63 -0.19 0.00 -0.52 0.00 0.00 37.83 34.49 2pnl s LYS 515 CO 0.00 0.66 1.37 0.34 -0.92 0.00 0.00 175.35 176.80 2pnl n PHE 516 N 2.24 1.29 -3.68 3.18 -0.00 -1.25 -1.65 117.46 117.59 2pnl n PHE 516 Ca -0.18 1.03 -0.29 0.00 -0.00 0.00 0.00 57.45 58.01 2pnl n PHE 516 Cb 0.53 -2.19 -0.15 0.00 -0.00 0.00 0.00 39.48 37.67 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 1.59 3.84 0.20 -2.13 0.15 0.40 -4.79 113.70 112.96 2pnl s SER 517 Ca 0.97 -1.50 -0.10 0.00 0.70 0.00 0.00 55.95 56.01 2pnl s SER 517 Cb -1.33 -0.70 0.27 0.00 -1.71 0.00 0.00 66.02 62.54 2pnl s SER 517 CO 0.68 -0.42 1.72 -0.09 1.20 0.00 0.00 173.24 176.32 2pnl h ARG 518 N 8.19 0.28 -0.68 5.44 9.65 -1.93 -1.68 114.38 133.65 2pnl h ARG 518 Ca -0.16 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.74 2pnl h ARG 518 Cb 1.02 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.49 2pnl h ARG 518 CO 0.46 0.18 0.41 0.00 2.80 0.00 0.00 179.97 183.82 2pnl h ALA 519 N 1.44 0.89 -0.05 2.80 0.00 -1.97 -1.94 119.26 120.43 2pnl h ALA 519 Ca 0.30 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2pnl h ALA 519 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2pnl h ALA 519 CO -0.36 0.16 0.01 1.25 0.00 0.00 0.00 179.25 180.31 2pnl h LEU 520 N 0.80 0.01 -0.29 0.00 5.85 -1.84 -2.19 115.31 117.64 2pnl h LEU 520 Ca 0.28 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.07 2pnl h LEU 520 Cb 0.06 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 2pnl h LEU 520 CO -0.12 0.01 -0.29 0.50 -0.34 0.00 0.00 178.44 178.20 2pnl h LYS 521 N 0.04 -0.27 -0.19 1.25 3.64 -1.11 0.15 116.57 120.08 2pnl h LYS 521 Ca 0.02 0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.24 2pnl h LYS 521 Cb 0.02 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2pnl h LYS 521 CO -0.03 -0.18 -0.61 -0.91 -2.27 0.00 0.00 179.45 175.46 2pnl h ASN 522 N -0.28 0.74 0.54 4.20 2.35 -1.36 0.35 115.58 122.13 2pnl h ASN 522 Ca 0.15 -0.42 -0.02 0.00 -0.55 0.00 0.00 56.30 55.46 2pnl h ASN 522 Cb 0.51 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 2pnl h ASN 522 CO -0.45 1.17 -0.32 -0.09 -1.65 0.00 0.00 177.43 176.08 2pnl h ARG 523 N 0.49 -0.79 -0.23 0.81 2.43 -1.07 -2.24 114.38 113.78 2pnl h ARG 523 Ca -0.00 0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.03 2pnl h ARG 523 Cb 1.18 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.91 2pnl h ARG 523 CO 0.12 -0.53 -0.59 -0.07 -1.51 0.00 0.00 179.97 177.39 2pnl h LEU 524 N -0.82 0.85 -1.09 3.80 3.38 -0.63 -3.21 115.31 117.59 2pnl h LEU 524 Ca -0.06 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2pnl h LEU 524 Cb 0.66 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2pnl h LEU 524 CO 0.07 1.25 0.00 -0.33 0.09 0.00 0.00 178.44 179.52 2pnl h GLU 525 N 0.56 0.00 0.00 1.13 5.08 -0.33 -2.39 114.58 118.64 2pnl h GLU 525 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pnl h GLU 525 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2pnl h GLU 525 CO 0.12 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.79 2pnl h SER 526 N 0.00 0.00 -0.00 1.42 4.64 -1.40 -0.61 113.55 117.59 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 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2pnl h SER 526 CO 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.95 2pnl n ALA 527 N -2.05 2.60 -1.75 5.18 0.00 -0.90 -4.94 120.51 118.65 2pnl n ALA 527 Ca -0.02 -0.43 -0.39 0.00 0.00 0.00 0.00 53.44 52.61 2pnl n ALA 527 Cb 0.14 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.02 5.42 0.27 0.00 0.02 -0.24 -4.72 114.94 113.68 2pnl s ASN 528 Ca 0.38 2.78 -0.14 0.00 -1.02 0.00 0.00 52.86 54.86 2pnl s ASN 528 Cb 0.21 -2.64 0.01 0.00 0.02 0.00 0.00 41.25 38.85 2pnl s ASN 528 CO 0.34 -1.47 0.57 -0.72 0.02 0.00 0.00 177.10 175.84 2pnl s TYR 529 N -1.29 0.25 -1.30 2.20 -0.85 -0.29 -4.98 117.35 111.08 2pnl s TYR 529 Ca 0.69 -0.65 -0.06 0.00 -0.52 0.00 0.00 57.07 56.53 2pnl s TYR 529 Cb -0.41 0.36 -0.00 0.00 0.38 0.00 0.00 41.96 42.29 2pnl s TYR 529 CO 0.49 -1.12 0.60 0.39 -1.52 0.00 0.00 175.55 174.39 2pnl n GLU 530 N -0.43 -3.15 -1.97 -3.49 1.02 -1.26 -0.23 120.64 111.13 2pnl n GLU 530 Ca -0.03 0.48 -0.40 0.00 -0.02 0.00 0.00 57.16 57.20 2pnl n GLU 530 Cb 0.61 -4.61 -0.00 0.00 -0.02 0.00 0.00 31.44 27.42 2pnl n GLU 530 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2pnl s GLU 531 N -6.22 4.01 -0.13 3.49 2.12 -1.26 -3.92 118.70 116.80 2pnl s GLU 531 Ca 0.13 2.29 -0.09 0.00 0.36 0.00 0.00 54.97 57.67 2pnl s GLU 531 Cb -0.05 -2.83 0.04 0.00 0.26 0.00 0.00 34.13 31.55 2pnl s GLU 531 CO 0.86 -0.50 0.32 0.54 -0.54 0.00 0.00 175.26 175.93 2pnl s VAL 532 N -1.20 -0.02 0.03 3.70 0.11 0.07 -4.98 120.40 118.11 2pnl s VAL 532 Ca 0.55 0.08 -0.23 0.00 -2.93 0.00 0.00 61.98 59.45 2pnl s VAL 532 Cb -0.41 -0.47 -0.06 0.00 -1.53 0.00 0.00 36.38 33.92 2pnl s VAL 532 CO 0.54 0.03 0.69 -0.70 -3.33 0.00 0.00 175.10 172.32 2pnl s GLU 533 N 0.88 4.41 0.16 1.54 2.12 -1.26 -1.51 118.70 125.05 2pnl s GLU 533 Ca -0.06 0.92 0.10 0.00 0.36 0.00 0.00 54.97 56.29 2pnl s GLU 533 Cb -0.07 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 2pnl s GLU 533 CO -0.06 0.35 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.28 2pnl s LEU 534 N -0.22 2.39 1.17 2.70 1.43 0.80 -4.98 118.68 121.98 2pnl s LEU 534 Ca 0.35 -0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 2pnl s LEU 534 Cb -0.20 -1.02 0.20 0.00 0.03 0.00 0.00 46.19 45.20 2pnl s LEU 534 CO 0.21 0.07 0.47 -0.81 0.23 0.00 0.00 176.35 176.52 2pnl n PRO 535 N 0.52 -2.16 -2.08 1.29 -0.04 -1.26 -1.52 135.00 129.74 2pnl n PRO 535 Ca -0.15 -0.61 -0.41 0.00 -0.04 0.00 0.00 63.50 62.29 2pnl n PRO 535 Cb 0.55 -1.91 -0.02 0.00 -0.04 0.00 0.00 33.50 32.08 2pnl n PRO 535 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2pnl s PRO 536 N -3.88 4.31 0.39 0.54 0.02 -1.26 -4.13 135.00 131.00 2pnl s PRO 536 Ca 0.62 2.24 -0.26 0.00 0.02 0.00 0.00 61.00 63.62 2pnl s PRO 536 Cb -0.18 -3.11 -0.09 0.00 0.02 0.00 0.00 34.50 31.14 2pnl s PRO 536 CO 0.66 -0.32 1.26 -1.25 -0.33 0.00 0.00 177.00 177.02 2pnl s PRO 537 N -0.82 4.05 0.39 5.54 0.04 -1.26 -4.91 135.00 138.02 2pnl s PRO 537 Ca 0.55 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.71 2pnl s PRO 537 Cb -0.40 -2.78 0.78 0.00 0.04 0.00 0.00 34.50 32.14 2pnl s PRO 537 CO 0.46 -0.39 2.04 0.66 0.04 0.00 0.00 177.00 179.80 2pnl h SER 538 N 2.77 0.57 -5.22 6.66 4.64 -1.94 -3.40 113.55 117.63 2pnl h SER 538 Ca -0.49 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 60.74 2pnl h SER 538 Cb 1.24 -0.14 -0.11 0.00 -0.31 0.00 0.00 62.40 63.07 2pnl h SER 538 CO 0.63 0.41 -0.21 -1.59 -0.87 0.00 0.00 176.83 175.20 2pnl s LYS 539 N -5.59 1.26 -0.03 4.77 -2.85 -1.26 -0.11 119.74 115.92 2pnl s LYS 539 Ca -0.09 -1.11 -0.15 0.00 -1.00 0.00 0.00 55.97 53.63 2pnl s LYS 539 Cb 0.18 0.42 0.05 0.00 -2.06 0.00 0.00 37.83 36.42 2pnl s LYS 539 CO 0.75 -0.49 0.66 0.41 0.10 0.00 0.00 175.35 176.78 2pnl n GLY 540 N -0.27 0.32 3.49 0.59 0.00 -0.75 -4.21 105.19 104.36 2pnl n GLY 540 Ca -0.07 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 2pnl n GLY 540 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnl s VAL 541 N -2.04 0.01 -0.09 1.61 0.11 -1.02 -4.17 120.40 114.80 2pnl s VAL 541 Ca 0.16 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 2pnl s VAL 541 Cb -0.00 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.92 2pnl s VAL 541 CO -0.01 -0.04 -0.12 -0.63 -3.33 0.00 0.00 175.10 170.97 2pnl s ILE 542 N -0.68 3.21 0.06 7.04 1.01 -1.26 -0.64 121.20 129.94 2pnl s ILE 542 Ca -0.08 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 59.97 2pnl s ILE 542 Cb -0.02 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 2pnl s ILE 542 CO 0.06 0.56 -0.09 0.68 0.00 0.00 0.00 174.94 176.14 2pnl s VAL 543 N -0.21 0.75 0.20 2.92 -7.23 -0.36 -1.85 120.40 114.62 2pnl s VAL 543 Ca 0.01 -1.31 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 2pnl s VAL 543 Cb -0.13 -0.95 -0.07 0.00 0.56 0.00 0.00 36.38 35.79 2pnl s VAL 543 CO 0.03 -0.43 0.56 -2.16 -0.31 0.00 0.00 175.10 172.80 2pnl s PRO 544 N -2.04 3.90 0.02 4.82 0.04 -1.26 -0.80 135.00 139.68 2pnl s PRO 544 Ca -0.03 0.40 0.07 0.00 0.04 0.00 0.00 61.00 61.49 2pnl s PRO 544 Cb -0.07 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.68 2pnl s PRO 544 CO 0.00 0.38 -0.22 0.08 0.04 0.00 0.00 177.00 177.28 2pnl s VAL 545 N -1.67 1.79 -0.15 -0.36 1.01 -0.06 -4.85 120.40 116.11 2pnl s VAL 545 Ca 0.44 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2pnl s VAL 545 Cb -0.13 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2pnl s VAL 545 CO 0.20 0.35 -0.05 -0.69 0.00 0.00 0.00 175.10 174.91 2pnl s VAL 546 N -0.69 3.80 -0.12 2.92 1.01 -1.26 -1.19 120.40 124.87 2pnl s VAL 546 Ca 0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2pnl s VAL 546 Cb -0.09 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2pnl s VAL 546 CO 0.01 0.50 -0.03 -1.00 0.00 0.00 0.00 175.10 174.58 2pnl s HIS 547 N 0.33 3.06 0.17 5.22 3.76 0.10 -4.98 115.29 122.96 2pnl s HIS 547 Ca -0.05 -0.08 -0.00 0.00 -0.15 0.00 0.00 55.06 54.78 2pnl s HIS 547 Cb -0.14 -1.88 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 2pnl s HIS 547 CO 0.03 0.18 0.07 0.95 -0.85 0.00 0.00 174.74 175.12 2pnl s THR 548 N -0.19 0.27 -0.09 1.30 -4.23 -1.26 -2.60 115.64 108.85 2pnl s THR 548 Ca 0.04 -1.96 -0.07 0.00 -1.18 0.00 0.00 61.69 58.52 2pnl s THR 548 Cb -0.13 -2.24 0.03 0.00 1.34 0.00 0.00 72.50 71.50 2pnl s THR 548 CO 0.02 -0.31 0.22 0.54 -0.54 0.00 0.00 174.62 174.56 2pnl s VAL 549 N -3.95 -0.01 0.47 2.29 0.11 -1.26 -5.05 120.40 113.00 2pnl s VAL 549 Ca 0.29 0.04 0.24 0.00 -2.93 0.00 0.00 61.98 59.62 2pnl s VAL 549 Cb 0.07 -0.33 0.43 0.00 -1.53 0.00 0.00 36.38 35.02 2pnl s VAL 549 CO 0.06 0.02 1.86 0.07 -3.33 0.00 0.00 175.10 173.77 2pnl h LYS 550 N 6.20 0.23 -0.00 1.54 -0.00 -2.02 -0.60 116.57 121.93 2pnl h LYS 550 Ca -0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.34 2pnl h LYS 550 Cb 1.18 -0.05 0.00 0.00 -0.00 0.00 0.00 32.23 33.36 2pnl h LYS 550 CO 0.37 0.15 -0.01 -1.13 -0.00 0.00 0.00 179.45 178.83 2pnl n SER 551 N -4.42 0.09 -3.24 7.07 3.41 -1.26 -3.57 113.62 111.69 2pnl n SER 551 Ca 0.20 -0.51 -0.26 0.00 -0.26 0.00 0.00 58.87 58.04 2pnl n SER 551 Cb 0.84 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.57 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 -1.12 3.75 -1.76 7.33 0.00 -0.23 -5.12 120.51 123.36 2pnl n ALA 552 Ca 0.18 -4.39 -0.38 0.00 0.00 0.00 0.00 53.44 48.84 2pnl n ALA 552 Cb 0.20 -0.84 0.03 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 -2.49 3.31 0.00 0.00 0.04 -1.23 -2.83 135.00 131.78 2pnl s PRO 553 Ca 0.41 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2pnl s PRO 553 Cb 0.20 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2pnl s PRO 553 CO -0.07 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.37 2pnl n GLY 554 N 0.64 0.55 3.66 0.56 0.00 -1.26 -5.00 105.19 104.34 2pnl n GLY 554 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.47 2.78 0.20 1.61 2.02 -1.13 -0.83 118.70 122.88 2pnl s GLU 555 Ca 0.00 -0.59 -0.15 0.00 0.02 0.00 0.00 54.97 54.26 2pnl s GLU 555 Cb 0.00 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.58 2pnl s GLU 555 CO 0.00 0.64 0.46 0.00 0.02 0.00 0.00 175.26 176.38 2pnl s ALA 556 N -1.01 -0.57 0.12 5.21 0.00 -0.66 -4.67 121.76 120.17 2pnl s ALA 556 Ca 0.17 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.45 2pnl s ALA 556 Cb -0.11 0.90 0.04 0.00 0.00 0.00 0.00 23.12 23.94 2pnl s ALA 556 CO 0.08 -0.78 0.40 -0.59 0.00 0.00 0.00 175.76 174.87 2pnl s PHE 557 N -3.93 -0.21 0.19 0.00 -0.12 -1.07 -0.46 117.98 112.39 2pnl s PHE 557 Ca 0.14 -0.08 0.07 0.00 -0.05 0.00 0.00 56.93 57.01 2pnl s PHE 557 Cb -0.00 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 2pnl s PHE 557 CO 0.01 -0.69 0.05 0.20 -0.05 0.00 0.00 175.22 174.73 2pnl s GLY 558 N -2.73 1.68 0.33 1.99 0.00 -1.26 0.02 107.32 107.34 2pnl s GLY 558 Ca 0.02 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.36 2pnl s GLY 558 CO -0.11 -1.41 0.39 -1.35 0.00 0.00 0.00 173.10 170.62 2pnl s SER 559 N -3.17 1.06 0.06 1.64 1.04 -0.34 -4.75 113.70 109.24 2pnl s SER 559 Ca 0.29 -1.54 0.07 0.00 0.48 0.00 0.00 55.95 55.25 2pnl s SER 559 Cb -0.09 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 2pnl s SER 559 CO 0.20 -1.19 -0.17 -0.76 0.98 0.00 0.00 173.24 172.31 2pnl s LEU 560 N -3.26 2.70 -0.01 2.42 1.43 -1.26 -0.88 118.68 119.81 2pnl s LEU 560 Ca 0.34 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 2pnl s LEU 560 Cb 0.01 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 2pnl s LEU 560 CO 0.22 0.24 -0.24 0.00 0.23 0.00 0.00 176.35 176.79 2pnl s ALA 561 N -0.99 2.02 -0.10 4.21 0.00 0.02 -0.87 121.76 126.05 2pnl s ALA 561 Ca 0.16 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2pnl s ALA 561 Cb -0.11 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 2pnl s ALA 561 CO 0.07 0.49 -0.09 -1.50 0.00 0.00 0.00 175.76 174.73 2pnl s ILE 562 N -0.61 3.51 -0.25 0.00 2.07 0.08 -1.23 121.20 124.78 2pnl s ILE 562 Ca 0.09 -0.53 -0.06 0.00 -1.41 0.00 0.00 60.65 58.75 2pnl s ILE 562 Cb -0.09 -2.46 -0.01 0.00 0.13 0.00 0.00 42.46 40.03 2pnl s ILE 562 CO -0.00 0.56 0.02 -0.63 -1.91 0.00 0.00 174.94 172.98 2pnl s ILE 563 N -0.29 3.80 0.10 2.00 1.01 0.18 -0.93 121.20 127.07 2pnl s ILE 563 Ca 0.04 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.28 2pnl s ILE 563 Cb -0.13 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 2pnl s ILE 563 CO 0.03 0.30 -0.15 0.27 0.00 0.00 0.00 174.94 175.39 2pnl s ILE 564 N 1.52 1.29 0.31 2.92 -4.36 -0.26 -2.44 121.20 120.18 2pnl s ILE 564 Ca 0.05 -1.57 -0.29 0.00 -0.26 0.00 0.00 60.65 58.58 2pnl s ILE 564 Cb -0.15 -1.38 -0.12 0.00 1.25 0.00 0.00 42.46 42.06 2pnl s ILE 564 CO 0.00 -0.32 1.51 -2.65 0.24 0.00 0.00 174.94 173.72 2pnl n PRO 565 N 0.83 2.54 0.00 0.37 -0.02 -1.26 -0.12 135.00 137.34 2pnl n PRO 565 Ca -0.18 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2pnl n PRO 565 Cb 0.56 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2pnl n PRO 565 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pnl n GLY 566 N 1.60 1.02 3.25 -1.23 0.00 0.68 -4.72 105.19 105.79 2pnl n GLY 566 Ca 0.07 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 2pnl n GLY 566 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pnl s GLU 567 N -1.57 2.54 -0.33 1.61 2.02 -1.26 -2.06 118.70 119.65 2pnl s GLU 567 Ca 0.00 -1.48 0.07 0.00 0.02 0.00 0.00 54.97 53.58 2pnl s GLU 567 Cb 0.00 -3.73 0.45 0.00 0.10 0.00 0.00 34.13 30.95 2pnl s GLU 567 CO 0.00 -0.95 1.16 0.66 0.02 0.00 0.00 175.26 176.16 2pnl n TYR 568 N 4.87 2.86 0.08 1.61 4.01 -1.26 -4.89 117.16 124.44 2pnl n TYR 568 Ca -0.09 -2.47 0.16 0.00 -0.16 0.00 0.00 57.90 55.34 2pnl n TYR 568 Cb 0.43 -0.27 0.67 0.00 -0.31 0.00 0.00 39.34 39.86 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 2.31 0.02 0.00 -0.72 0.13 -1.95 0.41 132.00 132.19 2pnl h PRO 569 Ca 0.33 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.46 2pnl h PRO 569 Cb 1.36 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 2pnl h PRO 569 CO 0.76 0.01 -0.00 1.05 -0.23 0.00 0.00 178.00 179.59 2pnl h GLU 570 N 0.02 0.00 0.00 0.86 9.09 -1.99 0.53 114.58 123.09 2pnl h GLU 570 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 2pnl h GLU 570 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.78 2pnl h GLU 570 CO -0.01 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 2pnl n LEU 571 N -3.60 0.00 -4.56 3.06 4.77 0.13 -4.85 117.00 111.95 2pnl n LEU 571 Ca -0.03 0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.65 2pnl n LEU 571 Cb 0.08 -0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.02 2pnl n LEU 571 CO 0.25 -0.00 -0.39 -0.76 -1.33 0.00 0.00 177.39 175.16 2pnl s LEU 572 N -2.08 3.10 0.26 2.23 1.43 0.18 -4.62 118.68 119.18 2pnl s LEU 572 Ca 0.44 -0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 53.21 2pnl s LEU 572 Cb 0.21 -1.67 -0.15 0.00 0.03 0.00 0.00 46.19 44.61 2pnl s LEU 572 CO 0.37 0.36 0.81 -0.67 0.23 0.00 0.00 176.35 177.45 2pnl n ASP 573 N 2.25 0.28 0.26 2.29 2.03 -1.26 -4.80 116.55 117.60 2pnl n ASP 573 Ca -0.18 1.15 0.11 0.00 0.52 0.00 0.00 54.79 56.39 2pnl n ASP 573 Cb 0.53 -1.16 0.71 0.00 -0.72 0.00 0.00 41.12 40.48 2pnl n ASP 573 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pnl h ALA 574 N 1.58 1.61 0.00 -1.67 0.00 -1.91 -0.16 119.26 118.71 2pnl h ALA 574 Ca -0.35 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2pnl h ALA 574 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2pnl h ALA 574 CO 0.59 0.09 0.00 -0.91 0.00 0.00 0.00 179.25 179.02 2pnl h ASN 575 N 0.00 0.00 -0.01 0.00 4.21 -1.88 -2.12 115.58 115.77 2pnl h ASN 575 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2pnl h ASN 575 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 2pnl h ASN 575 CO 0.01 0.00 -0.52 0.00 -1.29 0.00 0.00 177.43 175.63 2pnl n GLN 576 N -2.47 1.17 -1.50 0.81 6.02 -0.08 -3.57 117.38 117.76 2pnl n GLN 576 Ca -0.01 -0.84 -0.41 0.00 -0.01 0.00 0.00 57.00 55.73 2pnl n GLN 576 Cb 0.11 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 29.91 2pnl n GLN 576 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2pnl n GLN 577 N -0.23 2.67 -4.89 -1.09 6.02 -0.80 -2.50 117.38 116.57 2pnl n GLN 577 Ca 0.08 -2.34 -0.26 0.00 -0.01 0.00 0.00 57.00 54.48 2pnl n GLN 577 Cb 0.43 -3.10 -0.16 0.00 1.02 0.00 0.00 30.24 28.43 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 3.42 1.48 -0.23 5.09 1.01 -1.26 -4.98 120.40 124.92 2pnl s VAL 578 Ca 0.52 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2pnl s VAL 578 Cb 0.14 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.29 2pnl s VAL 578 CO -0.04 0.42 -0.07 -0.22 0.00 0.00 0.00 175.10 175.19 2pnl s LEU 579 N -0.22 2.92 0.24 3.92 2.96 -1.26 -1.44 118.68 125.81 2pnl s LEU 579 Ca 0.02 -0.60 0.09 0.00 -0.22 0.00 0.00 54.13 53.42 2pnl s LEU 579 Cb -0.09 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2pnl s LEU 579 CO 0.01 -0.06 0.04 -0.44 -1.32 0.00 0.00 176.35 174.57 2pnl s SER 580 N 1.40 4.78 0.01 3.68 0.01 -0.61 -4.93 113.70 118.04 2pnl s SER 580 Ca 0.04 -0.52 0.08 0.00 1.31 0.00 0.00 55.95 56.86 2pnl s SER 580 Cb -0.15 -0.99 -0.02 0.00 0.21 0.00 0.00 66.02 65.07 2pnl s SER 580 CO -0.05 0.01 -0.24 -1.00 0.41 0.00 0.00 173.24 172.37 2pnl s HIS 581 N -2.17 2.14 0.98 2.43 0.09 -1.26 -0.31 115.29 117.20 2pnl s HIS 581 Ca 0.31 -0.40 -0.13 0.00 -0.00 0.00 0.00 55.06 54.84 2pnl s HIS 581 Cb -0.07 -1.33 0.18 0.00 -0.00 0.00 0.00 32.58 31.35 2pnl s HIS 581 CO 0.21 0.04 1.11 -0.06 -0.00 0.00 0.00 174.74 176.04 2pnl s PHE 582 N -0.68 2.16 0.42 1.40 0.40 -0.28 -0.75 117.98 120.65 2pnl s PHE 582 Ca 0.10 0.89 -0.25 0.00 -0.60 0.00 0.00 56.93 57.07 2pnl s PHE 582 Cb -0.09 -3.34 -0.08 0.00 0.51 0.00 0.00 43.02 40.01 2pnl s PHE 582 CO 0.01 -2.77 1.21 0.00 0.70 0.00 0.00 175.22 174.37 2pnl s ALA 583 N -3.11 3.13 -1.24 5.36 0.00 -0.57 -4.20 121.76 121.14 2pnl s ALA 583 Ca 0.65 1.05 -0.06 0.00 0.00 0.00 0.00 51.96 53.60 2pnl s ALA 583 Cb -0.16 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.54 2pnl s ALA 583 CO 0.56 -0.67 0.84 0.09 0.00 0.00 0.00 175.76 176.58 2pnl n ASN 584 N -0.07 -5.71 -3.44 0.00 3.02 -1.26 -3.21 115.26 104.60 2pnl n ASN 584 Ca 0.05 -0.39 -0.17 0.00 -0.03 0.00 0.00 54.58 54.04 2pnl n ASN 584 Cb 0.46 -4.41 0.09 0.00 -0.61 0.00 0.00 39.78 35.31 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 -2.23 -2.22 -0.84 6.41 2.03 -1.26 -4.93 116.55 113.50 2pnl n ASP 585 Ca -0.03 -0.62 0.04 0.00 0.52 0.00 0.00 54.79 54.70 2pnl n ASP 585 Cb 0.57 -5.12 0.17 0.00 -0.72 0.00 0.00 41.12 36.02 2pnl n ASP 585 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pnl n THR 586 N -4.17 1.86 0.00 5.18 -2.24 -1.20 -4.89 114.28 108.82 2pnl n THR 586 Ca -0.28 -2.93 0.00 0.00 -2.27 0.00 0.00 64.05 58.57 2pnl n THR 586 Cb 0.67 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2pnl n THR 586 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pnl n GLY 587 N -0.83 1.21 3.30 3.38 0.00 -1.26 -0.60 105.19 110.39 2pnl n GLY 587 Ca 0.18 -2.29 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.17 -0.07 1.61 0.01 -1.26 -1.12 113.70 112.70 2pnl s SER 588 Ca 0.00 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2pnl s SER 588 Cb 0.00 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.71 2pnl s SER 588 CO 0.00 -0.84 -0.04 -0.69 0.41 0.00 0.00 173.24 172.08 2pnl s VAL 589 N -3.82 0.61 0.32 3.43 1.01 0.57 -1.27 120.40 121.25 2pnl s VAL 589 Ca 0.04 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 2pnl s VAL 589 Cb 0.02 -0.66 -0.10 0.00 0.00 0.00 0.00 36.38 35.64 2pnl s VAL 589 CO -0.11 0.27 1.25 0.26 0.00 0.00 0.00 175.10 176.76 2pnl s TRP 590 N 1.35 3.19 0.00 5.22 0.52 -0.38 -1.58 118.94 127.27 2pnl s TRP 590 Ca -0.04 1.50 0.00 0.00 0.02 0.00 0.00 56.10 57.58 2pnl s TRP 590 Cb -0.13 -3.57 0.00 0.00 -1.15 0.00 0.00 33.47 28.62 2pnl s TRP 590 CO -0.03 -1.49 0.00 0.41 0.02 0.00 0.00 176.95 175.87 2pnl n GLY 591 N 0.90 0.75 3.39 0.98 0.00 -0.52 -0.44 105.19 110.24 2pnl n GLY 591 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2pnl n GLY 591 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pnl s ILE 592 N -2.44 3.22 -1.20 -0.61 1.01 -1.25 -1.12 121.20 118.82 2pnl s ILE 592 Ca 0.00 -0.59 0.24 0.00 0.00 0.00 0.00 60.65 60.30 2pnl s ILE 592 Cb 0.00 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 2pnl s ILE 592 CO 0.00 0.51 1.30 0.61 0.00 0.00 0.00 174.94 177.36 2pnl n GLY 593 N 3.63 -1.00 3.26 6.18 0.00 -0.12 -3.43 105.19 113.70 2pnl n GLY 593 Ca -0.18 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.88 1.05 0.66 1.61 2.02 -1.26 -4.99 118.70 114.91 2pnl s GLU 594 Ca 0.13 -1.12 -0.15 0.00 0.02 0.00 0.00 54.97 53.85 2pnl s GLU 594 Cb 0.17 -1.23 0.00 0.00 0.10 0.00 0.00 34.13 33.17 2pnl s GLU 594 CO 0.70 0.28 1.12 -0.51 0.02 0.00 0.00 175.26 176.88 2pnl s ASP 595 N -1.90 5.02 -0.21 -0.19 1.01 -1.26 -4.63 116.67 114.51 2pnl s ASP 595 Ca 0.05 2.06 -0.11 0.00 0.71 0.00 0.00 52.55 55.26 2pnl s ASP 595 Cb -0.10 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 2pnl s ASP 595 CO 0.04 -1.69 0.16 -0.63 0.21 0.00 0.00 175.17 173.25 2pnl s ILE 596 N -2.26 5.38 -2.00 0.77 1.01 0.07 -4.93 121.20 119.25 2pnl s ILE 596 Ca 0.68 0.22 0.20 0.00 0.00 0.00 0.00 60.65 61.75 2pnl s ILE 596 Cb -0.22 -3.50 0.56 0.00 0.01 0.00 0.00 42.46 39.32 2pnl s ILE 596 CO 0.41 0.40 1.60 -0.81 0.00 0.00 0.00 174.94 176.54 2pnl n PRO 597 N 3.83 0.72 -4.49 2.79 -0.04 -1.26 -2.99 135.00 133.57 2pnl n PRO 597 Ca -0.15 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.08 2pnl n PRO 597 Cb 0.52 -1.43 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.00 2.03 0.45 0.54 -0.12 -1.26 -4.74 117.98 112.89 2pnl s PHE 598 Ca 0.30 -0.94 -0.20 0.00 -0.05 0.00 0.00 56.93 56.03 2pnl s PHE 598 Cb 0.14 -1.36 -0.10 0.00 -0.63 0.00 0.00 43.02 41.07 2pnl s PHE 598 CO 0.23 0.06 0.97 -1.21 -0.05 0.00 0.00 175.22 175.22 2pnl s GLU 599 N -3.85 4.10 0.00 1.99 2.02 -1.26 -1.51 118.70 120.19 2pnl s GLU 599 Ca 0.34 1.16 0.00 0.00 0.02 0.00 0.00 54.97 56.50 2pnl s GLU 599 Cb 0.08 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.16 2pnl s GLU 599 CO 0.15 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.70 2pnl n GLY 600 N -0.62 1.19 1.82 -1.39 0.00 -1.22 -4.87 105.19 100.09 2pnl n GLY 600 Ca 0.07 -1.97 -0.17 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.51 3.35 -0.28 1.61 5.75 -1.21 -4.90 116.55 119.36 2pnl n ASP 601 Ca 0.00 -3.69 -0.01 0.00 -0.01 0.00 0.00 54.79 51.07 2pnl n ASP 601 Cb 0.00 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.33 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 -1.13 -1.54 -3.86 -1.12 5.03 0.23 -4.99 115.26 107.87 2pnl n ASN 602 Ca 0.49 -0.01 -0.12 0.00 0.87 0.00 0.00 54.58 55.82 2pnl n ASN 602 Cb 1.39 -0.80 -0.13 0.00 -1.02 0.00 0.00 39.78 39.23 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 -0.30 1.37 -0.05 0.00 2.02 -0.40 -0.23 117.35 119.76 2pnl s TYR 605 Ca -0.04 -0.97 0.03 0.00 -0.37 0.00 0.00 57.07 55.73 2pnl s TYR 605 Cb -0.02 -0.78 0.01 0.00 -0.40 0.00 0.00 41.96 40.76 2pnl s TYR 605 CO 0.00 -0.13 -0.12 0.99 -1.57 0.00 0.00 175.55 174.73 2pnl s THR 606 N -3.54 1.05 -0.29 -0.71 2.01 0.83 -1.24 115.64 113.74 2pnl s THR 606 Ca 0.26 -0.47 -0.15 0.00 0.31 0.00 0.00 61.69 61.63 2pnl s THR 606 Cb 0.06 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 2pnl s THR 606 CO 0.06 0.32 0.38 0.00 -0.69 0.00 0.00 174.62 174.69 2pnl s ALA 607 N 0.38 3.54 0.03 7.40 0.00 0.41 -1.10 121.76 132.42 2pnl s ALA 607 Ca -0.08 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.02 2pnl s ALA 607 Cb -0.12 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2pnl s ALA 607 CO 0.02 -0.80 -0.22 -0.51 0.00 0.00 0.00 175.76 174.25 2pnl s LEU 608 N 2.08 2.14 0.11 0.00 1.43 -0.11 -4.58 118.68 119.75 2pnl s LEU 608 Ca 0.14 -0.51 -0.33 0.00 -1.03 0.00 0.00 54.13 52.41 2pnl s LEU 608 Cb -0.16 -1.05 -0.12 0.00 0.03 0.00 0.00 46.19 44.89 2pnl s LEU 608 CO 0.11 0.20 1.75 -2.65 0.23 0.00 0.00 176.35 175.98 2pnl n PRO 609 N 1.97 2.51 -3.41 1.29 -0.02 -1.26 -0.74 135.00 135.35 2pnl n PRO 609 Ca -0.17 0.91 -0.44 0.00 -2.02 0.00 0.00 63.50 61.78 2pnl n PRO 609 Cb 0.53 -2.75 -0.07 0.00 -0.02 0.00 0.00 33.50 31.18 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 2.17 5.75 -0.06 2.45 2.96 -0.05 -3.06 118.68 128.84 2pnl s LEU 610 Ca 0.82 -1.54 -0.14 0.00 -0.22 0.00 0.00 54.13 53.05 2pnl s LEU 610 Cb -0.58 -2.15 -0.30 0.00 0.50 0.00 0.00 46.19 43.66 2pnl s LEU 610 CO 0.39 -0.70 0.69 0.50 -1.32 0.00 0.00 176.35 175.91 2pnl h LYS 611 N 8.73 0.36 -2.06 1.98 3.64 -1.10 -3.40 116.57 124.72 2pnl h LYS 611 Ca -0.28 -0.62 -0.04 0.00 -1.27 0.00 0.00 60.65 58.44 2pnl h LYS 611 Cb 1.10 0.23 -0.21 0.00 -0.41 0.00 0.00 32.23 32.94 2pnl h LYS 611 CO 0.91 1.30 0.10 -2.00 -2.27 0.00 0.00 179.45 177.49 2pnl s GLU 612 N -2.54 0.81 -0.26 1.90 2.12 -0.89 -4.98 118.70 114.85 2pnl s GLU 612 Ca -0.16 0.97 -0.13 0.00 0.36 0.00 0.00 54.97 56.01 2pnl s GLU 612 Cb 0.05 0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.78 2pnl s GLU 612 CO 0.84 -0.10 0.31 0.42 -0.54 0.00 0.00 175.26 176.19 2pnl s ILE 613 N 0.40 5.23 0.52 -3.70 1.01 -1.26 -0.69 121.20 122.71 2pnl s ILE 613 Ca -0.00 0.44 -0.20 0.00 0.00 0.00 0.00 60.65 60.89 2pnl s ILE 613 Cb -0.05 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.72 2pnl s ILE 613 CO 0.00 0.21 1.08 -0.54 0.00 0.00 0.00 174.94 175.69 2pnl s LYS 614 N 1.84 3.56 0.31 2.79 -0.14 0.32 -4.95 119.74 123.48 2pnl s LYS 614 Ca 0.12 1.47 0.08 0.00 -1.36 0.00 0.00 55.97 56.29 2pnl s LYS 614 Cb -0.16 -2.05 0.90 0.00 -1.68 0.00 0.00 37.83 34.84 2pnl s LYS 614 CO 0.10 -0.65 1.65 -0.09 -0.76 0.00 0.00 175.35 175.59 2pnl h ARG 615 N 1.33 0.23 0.00 1.68 2.43 -1.98 0.58 114.38 118.64 2pnl h ARG 615 Ca -0.50 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2pnl h ARG 615 Cb 1.24 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2pnl h ARG 615 CO 0.58 0.15 0.00 0.27 -1.51 0.00 0.00 179.97 179.46 2pnl n ASN 616 N -5.17 0.00 0.00 -3.80 0.23 -1.26 -4.90 115.26 100.36 2pnl n ASN 616 Ca 0.26 -0.06 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 2pnl n ASN 616 Cb 0.84 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 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 0.86 1.15 3.60 4.83 0.00 0.19 -4.97 105.19 110.86 2pnl n GLY 617 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2pnl n GLY 617 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pnl n ASN 618 N 0.00 -0.19 -4.22 1.61 4.13 -1.26 -3.98 115.26 111.36 2pnl n ASN 618 Ca 0.00 0.43 -0.26 0.00 1.68 0.00 0.00 54.58 56.43 2pnl n ASN 618 Cb 0.00 -1.41 -0.15 0.00 -1.54 0.00 0.00 39.78 36.68 2pnl n ASN 618 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2pnl s ILE 619 N -2.47 1.57 -0.20 2.41 -4.36 -0.58 -0.52 121.20 117.06 2pnl s ILE 619 Ca 0.66 -1.00 -0.06 0.00 -0.26 0.00 0.00 60.65 59.99 2pnl s ILE 619 Cb -0.24 -1.34 -0.03 0.00 1.25 0.00 0.00 42.46 42.10 2pnl s ILE 619 CO 0.59 0.31 0.02 -0.69 0.24 0.00 0.00 174.94 175.42 2pnl s VAL 620 N -0.62 4.20 0.35 8.37 1.01 0.14 -0.14 120.40 133.71 2pnl s VAL 620 Ca 0.07 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.89 2pnl s VAL 620 Cb -0.08 -2.90 -0.07 0.00 0.00 0.00 0.00 36.38 33.33 2pnl s VAL 620 CO 0.00 0.43 -0.03 0.68 0.00 0.00 0.00 175.10 176.18 2pnl s VAL 621 N 0.90 1.88 0.22 2.92 -7.23 -0.57 -0.53 120.40 118.00 2pnl s VAL 621 Ca 0.02 -2.08 -0.16 0.00 -1.81 0.00 0.00 61.98 57.95 2pnl s VAL 621 Cb -0.14 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 34.04 2pnl s VAL 621 CO 0.02 -0.11 0.52 -1.83 -0.31 0.00 0.00 175.10 173.39 2pnl s GLU 622 N -3.71 1.49 0.08 4.82 -1.05 -1.17 -0.76 118.70 118.40 2pnl s GLU 622 Ca 0.34 -1.04 -0.03 0.00 -0.15 0.00 0.00 54.97 54.08 2pnl s GLU 622 Cb 0.07 0.51 -0.05 0.00 -0.44 0.00 0.00 34.13 34.21 2pnl s GLU 622 CO 0.16 -0.63 0.29 0.15 0.95 0.00 0.00 175.26 176.18 2pnl s LYS 623 N -3.94 3.54 0.02 -4.83 1.02 0.68 -4.30 119.74 111.93 2pnl s LYS 623 Ca 0.15 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 55.92 2pnl s LYS 623 Cb -0.01 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 2pnl s LYS 623 CO 0.03 0.56 -0.04 0.96 -0.92 0.00 0.00 175.35 175.94 2pnl s ILE 624 N -1.53 0.26 -0.79 2.17 -4.36 -1.26 -1.14 121.20 114.55 2pnl s ILE 624 Ca 0.36 -0.64 -0.20 0.00 -0.26 0.00 0.00 60.65 59.91 2pnl s ILE 624 Cb -0.13 -0.32 0.11 0.00 1.25 0.00 0.00 42.46 43.37 2pnl s ILE 624 CO 0.24 -0.25 1.00 0.12 0.24 0.00 0.00 174.94 176.29 2pnl s PHE 625 N -0.89 2.98 0.07 1.37 5.36 -1.26 -4.52 117.98 121.09 2pnl s PHE 625 Ca -0.08 -1.07 -0.27 0.00 -0.96 0.00 0.00 56.93 54.56 2pnl s PHE 625 Cb -0.06 -4.23 0.08 0.00 -0.34 0.00 0.00 43.02 38.47 2pnl s PHE 625 CO -0.00 -1.50 0.87 0.00 -1.46 0.00 0.00 175.22 173.13 2pnl s ALA 626 N 3.05 -1.73 1.09 11.12 0.00 -1.26 -5.10 121.76 128.94 2pnl s ALA 626 Ca 0.25 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 2pnl s ALA 626 Cb -0.12 0.55 0.25 0.00 0.00 0.00 0.00 23.12 23.81 2pnl s ALA 626 CO -0.01 -0.82 1.23 0.20 0.00 0.00 0.00 175.76 176.37 2pnl s GLY 627 N -2.67 1.70 0.86 0.00 0.00 -1.26 -4.10 107.32 101.85 2pnl s GLY 627 Ca 0.07 -1.15 -0.12 0.00 0.00 0.00 0.00 44.72 43.53 2pnl s GLY 627 CO -0.05 -0.29 1.10 2.56 0.00 0.00 0.00 173.10 176.41 2pnl s PRO 628 N -5.71 1.57 0.62 2.90 0.04 -1.23 -4.74 135.00 128.45 2pnl s PRO 628 Ca 0.73 0.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.33 2pnl s PRO 628 Cb -0.06 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2pnl s PRO 628 CO 0.54 -2.00 1.09 0.42 0.04 0.00 0.00 177.00 177.09 2pnl s ILE 629 N -3.04 3.51 0.34 0.56 1.01 -0.27 -4.59 121.20 118.71 2pnl s ILE 629 Ca 0.62 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.99 2pnl s ILE 629 Cb -0.16 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.06 2pnl s ILE 629 CO 0.56 -0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.69 2pnl n GLY 631 N -0.70 -2.63 0.74 6.18 0.00 -1.26 -0.94 105.19 106.58 2pnl n GLY 631 Ca 0.10 -1.23 0.13 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.59 2.02 0.17 1.61 -0.04 -1.26 -4.52 135.00 129.38 2pnl n PRO 632 Ca -0.04 -1.48 0.13 0.00 -0.04 0.00 0.00 63.50 62.08 2pnl n PRO 632 Cb 0.43 -1.47 0.41 0.00 -0.04 0.00 0.00 33.50 32.83 2pnl n PRO 632 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pnl h SER 633 N 3.57 0.00 0.48 3.54 4.64 -1.97 -2.60 113.55 121.21 2pnl h SER 633 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pnl h SER 633 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2pnl h SER 633 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2pnl n ALA 634 N -1.92 1.93 -0.30 5.18 0.00 -1.26 -1.48 120.51 122.67 2pnl n ALA 634 Ca 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 2pnl n ALA 634 Cb 0.40 -1.30 0.08 0.00 0.00 0.00 0.00 19.45 18.62 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 0.00 1.20 0.06 0.00 4.20 -1.47 -2.05 115.11 117.05 2pnl h GLN 635 Ca 0.00 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.51 2pnl h GLN 635 Cb 0.24 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2pnl h GLN 635 CO 0.00 0.95 -0.09 1.25 -0.67 0.00 0.00 178.83 180.28 2pnl h LEU 636 N 1.18 -0.24 -0.90 1.46 5.85 -0.49 0.59 115.31 122.76 2pnl h LEU 636 Ca 0.27 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 2pnl h LEU 636 Cb 0.18 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2pnl h LEU 636 CO -0.03 -0.13 0.22 1.23 -0.34 0.00 0.00 178.44 179.39 2pnl h GLY 637 N -0.18 1.10 0.97 3.75 0.00 -1.77 -1.90 103.07 105.04 2pnl h GLY 637 Ca 0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 2pnl h GLY 637 CO -0.05 0.58 0.25 1.41 0.00 0.00 0.00 176.54 178.74 2pnl h LEU 638 N 0.99 0.56 -0.73 3.11 -0.00 -1.10 0.10 115.31 118.25 2pnl h LEU 638 Ca 0.22 -0.09 0.01 0.00 -0.00 0.00 0.00 57.88 58.02 2pnl h LEU 638 Cb 0.27 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 40.75 2pnl h LEU 638 CO -0.01 0.49 0.48 -1.28 -0.00 0.00 0.00 178.44 178.13 2pnl h SER 639 N 0.59 0.83 0.20 -0.43 0.87 -0.71 -2.56 113.55 112.34 2pnl h SER 639 Ca 0.16 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.57 2pnl h SER 639 Cb 0.06 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2pnl h SER 639 CO -0.03 0.60 -0.49 -0.07 -0.53 0.00 0.00 176.83 176.31 2pnl h LEU 640 N 0.98 0.36 -0.35 2.23 3.38 -0.77 -1.97 115.31 119.17 2pnl h LEU 640 Ca 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2pnl h LEU 640 Cb -0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2pnl h LEU 640 CO -0.07 0.80 0.11 0.25 0.09 0.00 0.00 178.44 179.62 2pnl h LEU 641 N 0.27 0.51 0.00 1.67 5.85 -0.43 0.24 115.31 123.43 2pnl h LEU 641 Ca 0.01 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2pnl h LEU 641 Cb 0.96 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2pnl h LEU 641 CO 0.08 0.58 -0.68 -0.37 -0.34 0.00 0.00 178.44 177.72 2pnl h VAL 642 N 0.41 0.00 0.00 1.05 -1.51 -1.49 -3.36 116.25 111.36 2pnl h VAL 642 Ca 0.11 -1.00 -0.24 0.00 -1.23 0.00 0.00 66.70 64.35 2pnl h VAL 642 Cb 0.25 1.66 -0.04 0.00 -2.13 0.00 0.00 31.29 31.03 2pnl h VAL 642 CO -0.00 0.00 -1.89 0.59 -1.23 0.00 0.00 177.57 175.04 2pnl n ASN 643 N -2.81 2.05 0.00 4.19 4.13 -0.74 -4.42 115.26 117.66 2pnl n ASN 643 Ca 0.01 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.25 2pnl n ASN 643 Cb 0.54 0.57 0.00 0.00 -1.54 0.00 0.00 39.78 39.35 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 -2.59 3.96 -4.69 6.41 8.00 0.52 -4.99 116.55 123.17 2pnl n ASP 644 Ca -0.23 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.85 2pnl n ASP 644 Cb 0.89 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 42.09 2pnl n ASP 644 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pnl s ILE 645 N -1.93 4.33 -0.22 0.53 1.01 0.55 -4.94 121.20 120.54 2pnl s ILE 645 Ca 0.00 1.64 -0.16 0.00 0.00 0.00 0.00 60.65 62.13 2pnl s ILE 645 Cb 0.00 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 2pnl s ILE 645 CO 0.00 -0.00 -0.27 -0.62 0.00 0.00 0.00 174.94 174.05 2pnl n GLU 646 N 5.19 0.55 -4.16 2.79 -0.58 -1.26 -4.84 120.64 118.32 2pnl n GLU 646 Ca 0.11 0.31 -0.10 0.00 -0.42 0.00 0.00 57.16 57.05 2pnl n GLU 646 Cb 0.46 -1.52 -0.10 0.00 -0.57 0.00 0.00 31.44 29.72 2pnl n GLU 646 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2pnl s ASP 647 N -6.59 0.60 0.14 1.62 1.47 -1.26 -4.72 116.67 107.93 2pnl s ASP 647 Ca -0.31 -1.15 0.00 0.00 1.18 0.00 0.00 52.55 52.27 2pnl s ASP 647 Cb 0.08 0.23 0.00 0.00 -0.34 0.00 0.00 42.92 42.89 2pnl s ASP 647 CO 0.44 -0.66 0.00 0.61 0.68 0.00 0.00 175.17 176.25 2pnl n GLY 648 N -0.09 -1.66 3.11 2.12 0.00 0.84 -4.86 105.19 104.65 2pnl n GLY 648 Ca -0.08 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.69 2.34 0.31 1.61 1.01 -1.26 -1.81 120.40 120.91 2pnl s VAL 649 Ca 0.00 -1.38 -0.28 0.00 0.00 0.00 0.00 61.98 60.32 2pnl s VAL 649 Cb 0.00 -2.27 -0.13 0.00 0.00 0.00 0.00 36.38 33.98 2pnl s VAL 649 CO 0.00 0.11 1.16 -2.65 0.00 0.00 0.00 175.10 173.72 2pnl n PRO 650 N 4.52 1.73 -2.65 2.72 -0.02 -1.26 -5.00 135.00 135.05 2pnl n PRO 650 Ca -0.16 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 2pnl n PRO 650 Cb 0.45 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2pnl n PRO 650 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pnl n ARG 651 N 0.74 3.37 -3.69 -0.52 5.12 -1.26 -4.75 116.66 115.66 2pnl n ARG 651 Ca 0.08 -3.59 -0.21 0.00 -1.93 0.00 0.00 57.85 52.20 2pnl n ARG 651 Cb 0.34 -3.10 -0.18 0.00 -1.16 0.00 0.00 32.46 28.36 2pnl n ARG 651 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2pnl s VAL 653 N 1.79 0.01 -0.13 1.55 1.01 -0.31 -4.46 120.40 119.87 2pnl s VAL 653 Ca 0.44 0.35 -0.12 0.00 0.00 0.00 0.00 61.98 62.65 2pnl s VAL 653 Cb 0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 2pnl s VAL 653 CO 0.01 0.20 0.26 -0.36 0.00 0.00 0.00 175.10 175.21 2pnl s PHE 654 N 2.12 3.54 -0.01 5.22 0.08 -0.77 0.30 117.98 128.45 2pnl s PHE 654 Ca 0.05 0.63 0.01 0.00 0.12 0.00 0.00 56.93 57.74 2pnl s PHE 654 Cb -0.12 -2.23 0.01 0.00 -0.57 0.00 0.00 43.02 40.11 2pnl s PHE 654 CO -0.04 0.43 -0.03 -0.08 -0.10 0.00 0.00 175.22 175.40 2pnl s THR 655 N -0.15 0.29 0.00 0.64 -1.32 -0.01 -4.12 115.64 110.96 2pnl s THR 655 Ca 0.17 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 2pnl s THR 655 Cb -0.13 -0.29 0.00 0.00 -1.51 0.00 0.00 72.50 70.57 2pnl s THR 655 CO 0.05 0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.18 2pnl n GLY 656 N 3.37 4.21 3.83 6.08 0.00 -0.55 -4.43 105.19 117.70 2pnl n GLY 656 Ca -0.17 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.45 4.12 -0.09 1.61 2.12 -1.01 0.13 118.70 123.14 2pnl s GLU 657 Ca 0.00 0.82 -0.02 0.00 0.36 0.00 0.00 54.97 56.13 2pnl s GLU 657 Cb 0.00 -2.51 -0.03 0.00 0.26 0.00 0.00 34.13 31.85 2pnl s GLU 657 CO 0.00 0.19 -0.01 0.42 -0.54 0.00 0.00 175.26 175.31 2pnl s ILE 658 N -1.89 4.19 0.85 -3.70 -1.09 -1.26 -0.71 121.20 117.59 2pnl s ILE 658 Ca 0.53 -0.29 -0.11 0.00 -2.23 0.00 0.00 60.65 58.54 2pnl s ILE 658 Cb -0.12 -2.76 0.14 0.00 -1.58 0.00 0.00 42.46 38.14 2pnl s ILE 658 CO 0.18 0.59 1.19 0.00 -1.23 0.00 0.00 174.94 175.67 2pnl s ALA 659 N -0.72 2.69 0.58 9.38 0.00 -0.48 -4.94 121.76 128.27 2pnl s ALA 659 Ca 0.11 -1.12 0.28 0.00 0.00 0.00 0.00 51.96 51.23 2pnl s ALA 659 Cb -0.12 -2.67 1.74 0.00 0.00 0.00 0.00 23.12 22.08 2pnl s ALA 659 CO 0.02 -1.95 2.23 -0.44 0.00 0.00 0.00 175.76 175.62 2pnl h ASP 660 N -1.18 0.00 0.80 0.00 3.45 -2.00 0.04 116.42 117.53 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 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 2pnl h ASP 660 CO 0.48 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.25 2pnl n ASP 661 N -3.93 0.17 -1.52 6.45 5.75 -1.26 -4.90 116.55 117.32 2pnl n ASP 661 Ca -0.02 0.53 -0.20 0.00 -0.01 0.00 0.00 54.79 55.09 2pnl n ASP 661 Cb 0.11 -0.57 -0.08 0.00 -1.03 0.00 0.00 41.12 39.54 2pnl n ASP 661 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2pnl n GLU 662 N -1.68 -1.38 0.00 0.11 1.02 0.00 -4.80 120.64 113.92 2pnl n GLU 662 Ca 0.05 1.20 0.00 0.00 -0.02 0.00 0.00 57.16 58.38 2pnl n GLU 662 Cb 0.26 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 26.15 2pnl n GLU 662 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2pnl n GLU 663 N -2.42 0.00 -2.54 3.49 -0.58 -1.26 -4.77 120.64 112.56 2pnl n GLU 663 Ca -0.20 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.12 2pnl n GLU 663 Cb 0.65 -0.76 -0.03 0.00 -0.57 0.00 0.00 31.44 30.73 2pnl n GLU 663 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2pnl s THR 664 N -1.97 4.41 -0.35 2.62 2.01 -1.26 -1.30 115.64 119.80 2pnl s THR 664 Ca 0.00 1.72 -0.12 0.00 0.31 0.00 0.00 61.69 63.60 2pnl s THR 664 Cb 0.00 -4.11 -0.00 0.00 0.01 0.00 0.00 72.50 68.40 2pnl s THR 664 CO 0.00 0.09 0.23 -0.63 -0.69 0.00 0.00 174.62 173.61 2pnl s ILE 665 N 1.44 5.05 -0.18 1.82 1.01 -1.26 -1.38 121.20 127.71 2pnl s ILE 665 Ca 0.55 -0.40 -0.21 0.00 0.00 0.00 0.00 60.65 60.59 2pnl s ILE 665 Cb -0.25 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2pnl s ILE 665 CO 0.26 -0.06 0.64 -0.63 0.00 0.00 0.00 174.94 175.15 2pnl s ILE 666 N 1.67 5.02 0.71 2.92 1.01 0.11 -4.88 121.20 127.77 2pnl s ILE 666 Ca 0.05 1.23 -0.15 0.00 0.00 0.00 0.00 60.65 61.78 2pnl s ILE 666 Cb -0.18 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.36 2pnl s ILE 666 CO 0.09 0.13 1.18 -2.84 0.00 0.00 0.00 174.94 173.51 2pnl s PRO 667 N 1.72 2.33 0.38 2.79 0.02 -1.26 -2.39 135.00 138.59 2pnl s PRO 667 Ca 0.30 1.68 0.08 0.00 0.02 0.00 0.00 61.00 63.08 2pnl s PRO 667 Cb -0.16 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 2pnl s PRO 667 CO 0.11 -1.67 0.12 0.96 -0.33 0.00 0.00 177.00 176.20 2pnl s ILE 668 N -2.04 2.46 0.24 2.83 -5.25 -1.26 -4.83 121.20 113.35 2pnl s ILE 668 Ca 0.73 -1.79 0.04 0.00 -0.99 0.00 0.00 60.65 58.64 2pnl s ILE 668 Cb -0.27 -2.95 -0.03 0.00 2.95 0.00 0.00 42.46 42.16 2pnl s ILE 668 CO 0.44 -0.07 0.38 0.00 -1.79 0.00 0.00 174.94 173.89 2pnl n GLY 670 N -1.37 0.70 0.23 0.00 0.00 -1.26 -4.97 105.19 98.52 2pnl n GLY 670 Ca -0.08 -0.71 -0.00 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 1.24 -0.03 1.61 3.04 -1.95 -1.86 116.25 118.30 2pnl h VAL 671 Ca 0.00 -1.11 -0.24 0.00 -1.01 0.00 0.00 66.70 64.34 2pnl h VAL 671 Cb 0.77 1.38 0.01 0.00 -2.01 0.00 0.00 31.29 31.44 2pnl h VAL 671 CO 0.00 0.34 -0.94 0.44 -1.01 0.00 0.00 177.57 176.40 2pnl h ASP 672 N 0.26 0.75 -0.63 3.17 3.32 -1.93 0.15 116.42 121.51 2pnl h ASP 672 Ca 0.04 -0.58 -0.07 0.00 0.02 0.00 0.00 57.03 56.45 2pnl h ASP 672 Cb 0.57 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2pnl h ASP 672 CO 0.04 1.37 0.15 0.40 -1.72 0.00 0.00 179.24 179.48 2pnl h ILE 673 N 0.35 1.25 -0.79 0.35 1.08 -1.94 -2.38 117.51 115.43 2pnl h ILE 673 Ca -0.09 -0.94 -0.05 0.00 -0.39 0.00 0.00 64.86 63.38 2pnl h ILE 673 Cb 1.58 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 35.88 2pnl h ILE 673 CO 0.18 0.36 0.31 0.00 -0.69 0.00 0.00 178.15 178.30 2pnl h ALA 674 N 1.17 1.04 -0.34 1.87 0.00 -1.15 -2.76 119.26 119.09 2pnl h ALA 674 Ca 0.21 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2pnl h ALA 674 Cb 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2pnl h ALA 674 CO 0.00 0.67 -0.23 0.00 0.00 0.00 0.00 179.25 179.69 2pnl h ALA 675 N 1.17 0.96 -0.53 0.00 0.00 -0.77 -1.76 119.26 118.34 2pnl h ALA 675 Ca 0.26 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2pnl h ALA 675 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2pnl h ALA 675 CO -0.02 0.61 0.09 0.82 0.00 0.00 0.00 179.25 180.75 2pnl h ILE 676 N 0.58 1.25 -0.28 0.00 2.04 -1.34 -1.19 117.51 118.58 2pnl h ILE 676 Ca 0.08 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2pnl h ILE 676 Cb 0.71 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2pnl h ILE 676 CO 0.05 0.34 0.12 0.00 0.00 0.00 0.00 178.15 178.66 2pnl h ALA 677 N 0.99 0.36 -0.16 1.87 0.00 -1.30 -1.99 119.26 119.02 2pnl h ALA 677 Ca 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pnl h ALA 677 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2pnl h ALA 677 CO 0.01 -0.06 0.09 0.00 0.00 0.00 0.00 179.25 179.29 2pnl h ALA 678 N 0.96 0.21 -0.40 0.00 0.00 -1.17 -3.20 119.26 115.67 2pnl h ALA 678 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pnl h ALA 678 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2pnl h ALA 678 CO -0.01 -0.26 0.21 0.45 0.00 0.00 0.00 179.25 179.65 2pnl h HIS 679 N 0.16 0.53 -0.19 0.00 -0.00 -1.17 -1.14 115.15 113.34 2pnl h HIS 679 Ca 0.06 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.48 2pnl h HIS 679 Cb 0.07 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.30 2pnl h HIS 679 CO -0.04 0.38 0.18 0.93 -0.00 0.00 0.00 177.93 179.38 2pnl h GLU 680 N 0.55 0.00 -0.34 2.45 5.08 -1.35 -0.33 114.58 120.64 2pnl h GLU 680 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2pnl h GLU 680 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2pnl h GLU 680 CO -0.02 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.03 2pnl n GLN 681 N -3.99 2.37 -2.31 2.33 6.02 -0.52 -4.98 117.38 116.30 2pnl n GLN 681 Ca 0.02 -2.00 -0.06 0.00 -0.01 0.00 0.00 57.00 54.95 2pnl n GLN 681 Cb 0.30 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.24 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 0.82 0.26 3.24 1.08 0.00 -0.13 -4.99 105.19 105.46 2pnl n GLY 682 Ca 0.13 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 2pnl n GLY 682 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pnl s LEU 683 N -1.93 2.05 0.39 0.99 1.43 -0.69 -4.99 118.68 115.94 2pnl s LEU 683 Ca 0.05 -0.40 -0.25 0.00 -1.03 0.00 0.00 54.13 52.49 2pnl s LEU 683 Cb -0.02 -1.10 -0.09 0.00 0.03 0.00 0.00 46.19 45.01 2pnl s LEU 683 CO 0.06 0.26 1.16 -2.16 0.23 0.00 0.00 176.35 175.89 2pnl s PRO 684 N -0.57 4.09 -0.01 1.29 0.04 -1.26 -3.36 135.00 135.22 2pnl s PRO 684 Ca 0.08 1.82 -0.24 0.00 0.04 0.00 0.00 61.00 62.70 2pnl s PRO 684 Cb -0.08 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 2pnl s PRO 684 CO -0.01 -0.28 0.73 -1.17 0.04 0.00 0.00 177.00 176.31 2pnl s LEU 685 N -2.45 4.39 -0.14 -3.56 2.96 -1.26 -1.16 118.68 117.45 2pnl s LEU 685 Ca 0.56 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.81 2pnl s LEU 685 Cb -0.30 -3.14 0.01 0.00 0.50 0.00 0.00 46.19 43.26 2pnl s LEU 685 CO 0.38 -0.04 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.52 2pnl s ILE 686 N 0.32 2.09 0.00 6.68 -1.09 0.15 -0.49 121.20 128.86 2pnl s ILE 686 Ca 0.38 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 2pnl s ILE 686 Cb -0.19 -1.84 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 2pnl s ILE 686 CO 0.20 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 175.07 2pnl n GLY 687 N 4.10 1.47 2.78 6.18 0.00 -1.13 -0.83 105.19 117.76 2pnl n GLY 687 Ca -0.20 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 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 3.90 -3.57 1.61 4.05 -1.26 -1.07 115.26 118.92 2pnl n ASN 688 Ca 0.00 -3.57 -0.08 0.00 0.45 0.00 0.00 54.58 51.38 2pnl n ASN 688 Cb 0.00 -0.56 -0.03 0.00 1.23 0.00 0.00 39.78 40.42 2pnl n ASN 688 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pnl s GLN 689 N -3.32 0.54 0.53 1.20 -2.07 -1.26 -4.52 119.66 110.76 2pnl s GLN 689 Ca 0.47 -0.06 -0.22 0.00 -1.82 0.00 0.00 55.36 53.74 2pnl s GLN 689 Cb 0.30 0.25 -0.05 0.00 -1.09 0.00 0.00 33.01 32.42 2pnl s GLN 689 CO -0.13 -0.21 1.30 -2.14 -1.32 0.00 0.00 175.29 172.79 2pnl s PRO 690 N -1.99 3.25 0.00 9.60 0.02 -1.26 -2.86 135.00 141.77 2pnl s PRO 690 Ca 0.04 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.14 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 -0.04 -1.05 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 2pnl n GLY 691 N 0.65 3.01 3.88 0.52 0.00 -1.26 -4.99 105.19 106.99 2pnl n GLY 691 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2pnl n GLY 691 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pnl s VAL 692 N -2.68 4.77 0.07 1.61 -7.23 -1.13 -4.83 120.40 110.98 2pnl s VAL 692 Ca 0.00 0.63 -0.10 0.00 -1.81 0.00 0.00 61.98 60.70 2pnl s VAL 692 Cb 0.00 -3.77 -0.28 0.00 0.56 0.00 0.00 36.38 32.89 2pnl s VAL 692 CO 0.00 -0.67 1.13 0.44 -0.31 0.00 0.00 175.10 175.69 2pnl h ASP 693 N 0.85 0.68 -3.44 4.85 3.32 -1.14 -3.45 116.42 118.08 2pnl h ASP 693 Ca -0.47 -0.66 -0.42 0.00 0.02 0.00 0.00 57.03 55.50 2pnl h ASP 693 Cb 1.19 -0.22 -0.34 0.00 0.22 0.00 0.00 39.33 40.18 2pnl h ASP 693 CO 0.63 1.49 -0.78 -1.61 -1.72 0.00 0.00 179.24 177.25 2pnl s GLU 694 N -2.88 0.93 -0.13 3.56 2.02 -1.10 -5.02 118.70 116.09 2pnl s GLU 694 Ca -0.07 -0.13 -0.12 0.00 0.02 0.00 0.00 54.97 54.67 2pnl s GLU 694 Cb 0.06 -0.92 -0.05 0.00 0.10 0.00 0.00 34.13 33.33 2pnl s GLU 694 CO 0.91 -0.08 0.25 -1.21 0.02 0.00 0.00 175.26 175.15 2pnl s GLU 695 N 0.94 4.01 -0.23 1.61 2.02 -1.26 -2.83 118.70 122.96 2pnl s GLU 695 Ca -0.11 0.05 0.02 0.00 0.02 0.00 0.00 54.97 54.96 2pnl s GLU 695 Cb -0.14 -3.34 0.05 0.00 0.10 0.00 0.00 34.13 30.79 2pnl s GLU 695 CO 0.00 0.44 -0.14 0.14 0.02 0.00 0.00 175.26 175.73 2pnl s VAL 696 N -0.13 2.09 0.40 2.63 -7.23 -0.23 -4.97 120.40 112.97 2pnl s VAL 696 Ca 0.16 -1.38 0.14 0.00 -1.81 0.00 0.00 61.98 59.09 2pnl s VAL 696 Cb -0.13 -2.11 0.13 0.00 0.56 0.00 0.00 36.38 34.83 2pnl s VAL 696 CO 0.05 0.15 1.90 -0.09 -0.31 0.00 0.00 175.10 176.80 2pnl h ARG 697 N 7.84 0.00 -3.51 4.82 9.65 -1.94 -3.36 114.38 127.88 2pnl h ARG 697 Ca -0.28 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.45 2pnl h ARG 697 Cb 1.07 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.63 2pnl h ARG 697 CO 0.51 0.29 0.07 0.54 2.80 0.00 0.00 179.97 184.19 2pnl s ASN 698 N -6.96 0.49 0.25 -3.80 2.20 -1.26 -4.54 114.94 101.33 2pnl s ASN 698 Ca -0.03 -1.36 0.08 0.00 -0.94 0.00 0.00 52.86 50.61 2pnl s ASN 698 Cb 0.15 0.79 0.28 0.00 -2.00 0.00 0.00 41.25 40.47 2pnl s ASN 698 CO 0.71 -1.55 1.57 0.71 -2.94 0.00 0.00 177.10 175.60 2pnl h THR 699 N 2.03 1.43 -0.71 0.54 1.35 -1.49 -1.88 112.91 114.18 2pnl h THR 699 Ca -0.31 -2.13 0.01 0.00 -0.55 0.00 0.00 66.41 63.43 2pnl h THR 699 Cb 1.24 2.13 -0.04 0.00 -1.73 0.00 0.00 68.15 69.75 2pnl h THR 699 CO 0.41 0.62 0.47 -1.28 -0.25 0.00 0.00 175.52 175.48 2pnl h SER 700 N 0.07 0.80 -0.00 5.36 0.87 -1.90 0.27 113.55 119.02 2pnl h SER 700 Ca -0.01 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.42 2pnl h SER 700 Cb 1.14 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 2pnl h SER 700 CO 0.09 0.58 -0.36 -0.07 -0.53 0.00 0.00 176.83 176.54 2pnl h LEU 701 N 0.95 0.50 -0.48 2.23 3.38 -1.86 -0.82 115.31 119.21 2pnl h LEU 701 Ca 0.26 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 2pnl h LEU 701 Cb -0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2pnl h LEU 701 CO -0.06 0.82 -0.07 0.00 0.09 0.00 0.00 178.44 179.23 2pnl h ALA 702 N 1.21 0.66 -0.70 1.53 0.00 -0.75 -0.59 119.26 120.61 2pnl h ALA 702 Ca 0.04 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2pnl h ALA 702 Cb 0.82 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2pnl h ALA 702 CO 0.07 0.52 0.46 0.00 0.00 0.00 0.00 179.25 180.30 2pnl h ALA 703 N 0.90 0.89 -0.95 0.00 0.00 -0.35 -0.47 119.26 119.28 2pnl h ALA 703 Ca 0.13 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.13 2pnl h ALA 703 Cb 0.60 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 2pnl h ALA 703 CO 0.04 0.30 0.61 1.25 0.00 0.00 0.00 179.25 181.44 2pnl h HIS 704 N 0.94 1.00 -0.37 0.00 6.17 -0.84 -2.22 115.15 119.82 2pnl h HIS 704 Ca 0.26 0.03 -0.12 0.00 0.71 0.00 0.00 60.37 61.24 2pnl h HIS 704 Cb -0.09 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 29.51 2pnl h HIS 704 CO -0.03 0.38 -0.25 1.25 0.71 0.00 0.00 177.93 179.99 2pnl h LEU 705 N 0.86 0.87 -0.50 0.26 6.46 0.43 -2.33 115.31 121.34 2pnl h LEU 705 Ca 0.48 -0.43 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2pnl h LEU 705 Cb 0.61 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 2pnl h LEU 705 CO -0.25 1.11 0.32 0.40 -0.62 0.00 0.00 178.44 179.40 2pnl h ILE 706 N 0.63 1.14 -0.32 4.05 2.04 -0.98 -0.18 117.51 123.89 2pnl h ILE 706 Ca 0.07 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.70 2pnl h ILE 706 Cb 0.82 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 2pnl h ILE 706 CO 0.07 0.14 -0.04 1.56 0.00 0.00 0.00 178.15 179.88 2pnl h GLN 707 N 0.67 0.04 0.00 2.37 1.08 -1.13 -2.83 115.11 115.32 2pnl h GLN 707 Ca 0.18 -0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.26 2pnl h GLN 707 Cb -0.04 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 2pnl h GLN 707 CO -0.04 0.03 -0.56 1.79 -0.95 0.00 0.00 178.83 179.10 2pnl h THR 708 N 0.04 1.25 0.00 -0.54 1.35 -1.33 -3.47 112.91 110.21 2pnl h THR 708 Ca 0.16 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 2pnl h THR 708 Cb 0.23 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2pnl h THR 708 CO -0.30 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 2pnl n GLY 709 N 0.37 2.74 3.25 5.82 0.00 -0.09 -4.93 105.19 112.35 2pnl n GLY 709 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.23 0.26 -0.04 2.61 -4.23 -1.25 -4.77 115.64 106.98 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 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 2pnl s THR 710 CO 0.00 -0.01 1.24 -0.22 -0.54 0.00 0.00 174.62 175.08 2pnl s LEU 711 N -3.23 4.29 0.37 4.79 0.20 -1.26 -4.92 118.68 118.92 2pnl s LEU 711 Ca 0.38 1.87 -0.26 0.00 0.69 0.00 0.00 54.13 56.81 2pnl s LEU 711 Cb 0.07 -3.56 -0.12 0.00 -0.43 0.00 0.00 46.19 42.16 2pnl s LEU 711 CO 0.12 -0.61 1.01 -2.65 -0.29 0.00 0.00 176.35 173.94 2pnl n PRO 712 N 5.22 1.38 -3.93 0.98 -0.02 -1.26 -4.98 135.00 132.38 2pnl n PRO 712 Ca 0.11 0.49 -0.37 0.00 -2.02 0.00 0.00 63.50 61.72 2pnl n PRO 712 Cb 0.46 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 31.90 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 -1.20 5.35 -0.13 -1.45 1.01 -1.26 -5.10 120.40 117.61 2pnl s VAL 713 Ca 0.61 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.76 2pnl s VAL 713 Cb -0.61 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 2pnl s VAL 713 CO 0.58 0.60 -0.18 -1.10 0.00 0.00 0.00 175.10 175.00 2pnl s GLN 714 N -0.88 3.18 -0.07 2.72 -0.21 -1.26 -5.10 119.66 118.04 2pnl s GLN 714 Ca 0.14 -0.79 -0.02 0.00 0.02 0.00 0.00 55.36 54.72 2pnl s GLN 714 Cb -0.12 -2.51 0.03 0.00 1.00 0.00 0.00 33.01 31.42 2pnl s GLN 714 CO 0.03 0.11 0.02 0.50 -2.12 0.00 0.00 175.29 173.83 2pnl s ARG 715 N 0.56 0.40 0.00 2.91 3.52 -1.26 -5.33 118.95 119.75 2pnl s ARG 715 Ca -0.11 0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.64 2pnl s ARG 715 Cb -0.16 -0.93 0.00 0.00 -1.56 0.00 0.00 34.95 32.30 2pnl s ARG 715 CO 0.04 -0.34 0.28 0.00 -0.81 0.00 0.00 175.30 174.46