#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 2.34 0.04 1.61 1.02 -0.69 -4.85 119.74 119.20 2pnl s LYS 515 Ca 0.00 -0.78 -0.28 0.00 0.02 0.00 0.00 55.97 54.93 2pnl s LYS 515 Cb 0.00 -1.95 -0.15 0.00 -0.52 0.00 0.00 37.83 35.22 2pnl s LYS 515 CO 0.00 0.29 0.71 0.34 -0.92 0.00 0.00 175.35 175.77 2pnl n PHE 516 N 3.15 0.28 -3.75 3.18 -0.00 -1.25 -2.66 117.46 116.39 2pnl n PHE 516 Ca -0.18 0.79 -0.29 0.00 -0.00 0.00 0.00 57.45 57.77 2pnl n PHE 516 Cb 0.52 -1.57 -0.16 0.00 -0.00 0.00 0.00 39.48 38.28 2pnl n PHE 516 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2pnl s SER 517 N -0.19 3.34 0.37 -2.13 0.15 0.22 -4.77 113.70 110.69 2pnl s SER 517 Ca 0.64 -1.09 0.18 0.00 0.70 0.00 0.00 55.95 56.38 2pnl s SER 517 Cb -0.90 -0.73 0.70 0.00 -1.71 0.00 0.00 66.02 63.37 2pnl s SER 517 CO 0.43 -0.33 1.75 -0.09 1.20 0.00 0.00 173.24 176.20 2pnl h ARG 518 N 8.17 0.00 -0.04 5.44 2.43 -1.92 -2.13 114.38 126.33 2pnl h ARG 518 Ca -0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 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 0.38 0.39 0.01 0.00 -1.51 0.00 0.00 179.97 179.24 2pnl h ALA 519 N 1.61 0.06 -0.51 2.80 0.00 -1.97 -0.21 119.26 121.04 2pnl h ALA 519 Ca -0.00 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.84 2pnl h ALA 519 Cb 0.86 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2pnl h ALA 519 CO 0.05 -0.30 0.17 1.25 0.00 0.00 0.00 179.25 180.42 2pnl h LEU 520 N -0.17 0.16 -0.13 0.00 6.46 -1.94 0.12 115.31 119.80 2pnl h LEU 520 Ca 0.01 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2pnl h LEU 520 Cb 0.27 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 2pnl h LEU 520 CO 0.00 0.11 -0.02 0.50 -0.62 0.00 0.00 178.44 178.42 2pnl h LYS 521 N 0.34 0.02 0.24 1.25 3.64 -1.27 -0.42 116.57 120.37 2pnl h LYS 521 Ca 0.25 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2pnl h LYS 521 Cb 0.28 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2pnl h LYS 521 CO -0.27 0.02 -0.11 -0.91 -2.27 0.00 0.00 179.45 175.91 2pnl h ASN 522 N 0.02 -0.27 0.09 4.20 4.21 -0.81 -1.28 115.58 121.75 2pnl h ASN 522 Ca 0.06 -0.05 0.02 0.00 1.21 0.00 0.00 56.30 57.54 2pnl h ASN 522 Cb 0.09 0.07 -0.05 0.00 -1.12 0.00 0.00 38.32 37.31 2pnl h ASN 522 CO -0.12 -0.12 -0.44 -0.09 -1.29 0.00 0.00 177.43 175.37 2pnl h ARG 523 N -0.40 -0.63 -0.44 0.81 2.43 -0.79 -1.31 114.38 114.05 2pnl h ARG 523 Ca -0.03 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2pnl h ARG 523 Cb 0.31 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2pnl h ARG 523 CO 0.05 -0.42 0.10 -0.07 -1.51 0.00 0.00 179.97 178.12 2pnl h LEU 524 N -0.66 0.68 -0.35 3.80 3.38 -1.10 -3.02 115.31 118.03 2pnl h LEU 524 Ca 0.02 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2pnl h LEU 524 Cb 0.69 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2pnl h LEU 524 CO -0.27 0.74 0.00 -0.62 0.09 0.00 0.00 178.44 178.38 2pnl n GLU 525 N -4.51 0.15 0.33 1.13 1.02 -0.48 -2.12 120.64 116.16 2pnl n GLU 525 Ca 0.00 0.31 0.21 0.00 -0.02 0.00 0.00 57.16 57.66 2pnl n GLU 525 Cb 0.22 -1.75 1.13 0.00 -0.02 0.00 0.00 31.44 31.02 2pnl n GLU 525 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2pnl h SER 526 N 0.00 0.00 0.72 1.62 4.64 -1.10 -2.64 113.55 116.78 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 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2pnl h SER 526 CO 0.00 0.00 -0.80 0.00 -0.87 0.00 0.00 176.83 175.16 2pnl n ALA 527 N -2.03 3.06 -1.63 5.18 0.00 -0.90 -4.96 120.51 119.23 2pnl n ALA 527 Ca -0.03 -0.30 -0.40 0.00 0.00 0.00 0.00 53.44 52.71 2pnl n ALA 527 Cb 0.11 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.48 2pnl n ALA 527 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pnl n ASN 528 N -2.10 1.41 -3.56 0.00 5.03 -1.00 -4.73 115.26 110.31 2pnl n ASN 528 Ca 0.03 1.00 -0.09 0.00 0.87 0.00 0.00 54.58 56.38 2pnl n ASN 528 Cb 0.45 -1.39 -0.02 0.00 -1.02 0.00 0.00 39.78 37.80 2pnl n ASN 528 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2pnl s TYR 529 N -1.32 0.19 -1.28 3.10 -0.85 -0.08 -4.96 117.35 112.15 2pnl s TYR 529 Ca 0.66 -0.66 -0.14 0.00 -0.52 0.00 0.00 57.07 56.41 2pnl s TYR 529 Cb -0.51 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.35 2pnl s TYR 529 CO 0.55 -1.26 0.58 0.39 -1.52 0.00 0.00 175.55 174.29 2pnl n GLU 530 N -0.47 -1.88 -1.70 -3.49 1.02 -1.26 0.45 120.64 113.30 2pnl n GLU 530 Ca -0.04 0.36 -0.42 0.00 -0.02 0.00 0.00 57.16 57.04 2pnl n GLU 530 Cb 0.60 -4.01 -0.03 0.00 -0.02 0.00 0.00 31.44 27.98 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 -6.51 4.14 0.30 3.49 2.12 -1.26 -4.14 118.70 116.84 2pnl s GLU 531 Ca 0.26 2.60 0.10 0.00 0.36 0.00 0.00 54.97 58.29 2pnl s GLU 531 Cb -0.11 -3.83 -0.06 0.00 0.26 0.00 0.00 34.13 30.40 2pnl s GLU 531 CO 0.90 -0.89 -0.15 0.54 -0.54 0.00 0.00 175.26 175.12 2pnl s VAL 532 N 3.45 2.29 -0.10 3.70 0.11 -0.34 -5.00 120.40 124.51 2pnl s VAL 532 Ca 0.84 -2.30 0.03 0.00 -2.93 0.00 0.00 61.98 57.62 2pnl s VAL 532 Cb -0.44 -2.44 -0.00 0.00 -1.53 0.00 0.00 36.38 31.97 2pnl s VAL 532 CO 0.38 -0.32 -0.22 -0.70 -3.33 0.00 0.00 175.10 170.91 2pnl s GLU 533 N -3.57 3.08 0.27 1.54 2.12 -1.26 -2.40 118.70 118.47 2pnl s GLU 533 Ca 0.31 -0.84 0.09 0.00 0.36 0.00 0.00 54.97 54.88 2pnl s GLU 533 Cb -0.01 -2.36 -0.04 0.00 0.26 0.00 0.00 34.13 31.98 2pnl s GLU 533 CO 0.15 0.21 0.08 -0.51 -0.54 0.00 0.00 175.26 174.64 2pnl s LEU 534 N 0.29 3.39 1.13 2.70 1.43 -0.73 -5.00 118.68 121.89 2pnl s LEU 534 Ca -0.16 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.26 2pnl s LEU 534 Cb -0.17 -1.91 0.26 0.00 0.03 0.00 0.00 46.19 44.39 2pnl s LEU 534 CO 0.08 -0.05 1.06 -2.16 0.23 0.00 0.00 176.35 175.51 2pnl s PRO 535 N -3.75 -0.63 0.19 1.29 0.04 -1.26 -2.39 135.00 128.49 2pnl s PRO 535 Ca 0.33 0.51 -0.33 0.00 0.04 0.00 0.00 61.00 61.54 2pnl s PRO 535 Cb -0.06 -1.61 -0.13 0.00 0.04 0.00 0.00 34.50 32.73 2pnl s PRO 535 CO 0.22 -3.45 1.60 -0.35 0.04 0.00 0.00 177.00 175.06 2pnl n PRO 536 N -4.67 2.33 -1.37 0.56 -0.04 -1.24 -4.27 135.00 126.30 2pnl n PRO 536 Ca 0.05 0.84 -0.33 0.00 -0.04 0.00 0.00 63.50 64.02 2pnl n PRO 536 Cb 0.57 -2.62 0.10 0.00 -0.04 0.00 0.00 33.50 31.51 2pnl n PRO 536 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2pnl s PRO 537 N 0.73 2.08 0.19 0.54 0.04 -1.26 -4.94 135.00 132.38 2pnl s PRO 537 Ca 0.76 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 63.32 2pnl s PRO 537 Cb -0.62 -1.84 0.20 0.00 0.04 0.00 0.00 34.50 32.28 2pnl s PRO 537 CO 0.38 -1.86 1.71 0.66 0.04 0.00 0.00 177.00 177.94 2pnl h SER 538 N -0.51 -0.00 -5.66 6.66 4.64 -1.94 -3.41 113.55 113.33 2pnl h SER 538 Ca -0.47 0.09 -0.35 0.00 -0.47 0.00 0.00 61.79 60.59 2pnl h SER 538 Cb 1.28 0.13 -0.09 0.00 -0.31 0.00 0.00 62.40 63.41 2pnl h SER 538 CO 0.49 0.02 -0.26 -1.59 -0.87 0.00 0.00 176.83 174.62 2pnl s LYS 539 N -6.14 1.93 0.00 4.77 -2.85 -1.26 -1.56 119.74 114.63 2pnl s LYS 539 Ca -0.13 -1.88 0.00 0.00 -1.00 0.00 0.00 55.97 52.96 2pnl s LYS 539 Cb 0.16 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.34 2pnl s LYS 539 CO 0.73 -0.78 0.00 0.41 0.10 0.00 0.00 175.35 175.80 2pnl n GLY 540 N -0.61 0.48 2.91 0.59 0.00 -1.10 -4.33 105.19 103.13 2pnl n GLY 540 Ca 0.03 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 0.03 -0.15 1.61 0.11 -0.96 -4.14 120.40 114.90 2pnl s VAL 541 Ca 0.00 -0.26 -0.03 0.00 -2.93 0.00 0.00 61.98 58.76 2pnl s VAL 541 Cb 0.00 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.73 2pnl s VAL 541 CO 0.00 -0.14 -0.04 -0.63 -3.33 0.00 0.00 175.10 170.96 2pnl s ILE 542 N -0.42 3.86 0.14 7.04 1.01 -1.26 -0.57 121.20 131.00 2pnl s ILE 542 Ca -0.05 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.29 2pnl s ILE 542 Cb -0.03 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 2pnl s ILE 542 CO -0.00 0.50 -0.13 0.68 0.00 0.00 0.00 174.94 175.99 2pnl s VAL 543 N 0.26 1.33 0.16 2.92 -7.23 -0.58 -0.76 120.40 116.51 2pnl s VAL 543 Ca -0.03 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.23 2pnl s VAL 543 Cb -0.14 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2pnl s VAL 543 CO 0.03 -0.54 0.35 -2.16 -0.31 0.00 0.00 175.10 172.47 2pnl s PRO 544 N -3.14 3.53 -0.02 4.82 0.04 -1.26 -0.15 135.00 138.83 2pnl s PRO 544 Ca 0.13 -0.31 0.04 0.00 0.04 0.00 0.00 61.00 60.90 2pnl s PRO 544 Cb -0.02 -2.88 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 2pnl s PRO 544 CO 0.03 0.46 -0.12 0.08 0.04 0.00 0.00 177.00 177.48 2pnl s VAL 545 N -1.75 0.98 -0.16 -0.36 1.01 0.20 -4.90 120.40 115.43 2pnl s VAL 545 Ca 0.38 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2pnl s VAL 545 Cb -0.12 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2pnl s VAL 545 CO 0.28 0.28 0.01 -0.69 0.00 0.00 0.00 175.10 174.98 2pnl s VAL 546 N -0.18 4.32 -0.17 2.92 1.01 -1.26 -1.00 120.40 126.04 2pnl s VAL 546 Ca 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2pnl s VAL 546 Cb -0.06 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2pnl s VAL 546 CO -0.00 0.49 -0.04 -1.00 0.00 0.00 0.00 175.10 174.55 2pnl s HIS 547 N 0.21 2.99 0.22 5.22 3.76 0.74 -4.98 115.29 123.45 2pnl s HIS 547 Ca 0.01 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 2pnl s HIS 547 Cb -0.13 -2.00 -0.05 0.00 1.11 0.00 0.00 32.58 31.52 2pnl s HIS 547 CO 0.02 -0.18 0.05 0.95 -0.85 0.00 0.00 174.74 174.73 2pnl s THR 548 N 0.67 0.65 -0.09 1.30 -4.23 -1.26 -2.87 115.64 109.80 2pnl s THR 548 Ca -0.02 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.43 2pnl s THR 548 Cb -0.14 -2.39 0.04 0.00 1.34 0.00 0.00 72.50 71.34 2pnl s THR 548 CO 0.02 -0.23 0.23 0.54 -0.54 0.00 0.00 174.62 174.64 2pnl s VAL 549 N -3.69 -0.03 0.50 2.29 0.11 -1.26 -5.04 120.40 113.29 2pnl s VAL 549 Ca 0.31 0.10 0.36 0.00 -2.93 0.00 0.00 61.98 59.82 2pnl s VAL 549 Cb 0.07 -0.35 0.57 0.00 -1.53 0.00 0.00 36.38 35.14 2pnl s VAL 549 CO 0.09 0.04 1.70 0.07 -3.33 0.00 0.00 175.10 173.67 2pnl h LYS 550 N 6.72 0.07 0.00 1.54 -0.00 -2.02 0.04 116.57 122.93 2pnl h LYS 550 Ca -0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.29 2pnl h LYS 550 Cb 1.17 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.38 2pnl h LYS 550 CO 0.38 0.05 -0.47 -1.13 -0.00 0.00 0.00 179.45 178.28 2pnl n SER 551 N -4.29 0.48 -3.67 7.07 3.41 -1.26 -4.18 113.62 111.18 2pnl n SER 551 Ca 0.33 -0.08 -0.32 0.00 -0.26 0.00 0.00 58.87 58.55 2pnl n SER 551 Cb 1.44 0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 65.46 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 -1.57 4.23 -1.80 7.33 0.00 0.00 -5.09 120.51 123.61 2pnl n ALA 552 Ca 0.05 -4.74 -0.35 0.00 0.00 0.00 0.00 53.44 48.40 2pnl n ALA 552 Cb 0.36 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.34 4.14 0.00 0.00 0.04 -1.26 -2.56 135.00 133.02 2pnl s PRO 553 Ca 0.35 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2pnl s PRO 553 Cb 0.09 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2pnl s PRO 553 CO -0.01 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2pnl n GLY 554 N -0.09 0.72 3.45 0.56 0.00 -1.26 -5.02 105.19 103.55 2pnl n GLY 554 Ca 0.06 0.00 -0.29 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 -0.20 1.68 0.02 1.61 2.02 -1.06 -1.70 118.70 121.07 2pnl s GLU 555 Ca 0.00 -1.22 -0.28 0.00 0.02 0.00 0.00 54.97 53.49 2pnl s GLU 555 Cb 0.00 -2.05 0.09 0.00 0.10 0.00 0.00 34.13 32.27 2pnl s GLU 555 CO 0.00 0.47 0.81 0.00 0.02 0.00 0.00 175.26 176.56 2pnl s ALA 556 N -1.10 -1.77 0.31 5.21 0.00 -1.09 -4.68 121.76 118.64 2pnl s ALA 556 Ca 0.16 0.96 -0.10 0.00 0.00 0.00 0.00 51.96 52.99 2pnl s ALA 556 Cb -0.10 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.42 2pnl s ALA 556 CO 0.08 -0.65 0.55 -0.59 0.00 0.00 0.00 175.76 175.16 2pnl s PHE 557 N -2.94 0.55 0.21 0.00 -0.12 -1.14 -0.61 117.98 113.94 2pnl s PHE 557 Ca 0.02 -0.93 0.07 0.00 -0.05 0.00 0.00 56.93 56.04 2pnl s PHE 557 Cb -0.01 0.24 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 2pnl s PHE 557 CO -0.08 -1.18 -0.13 0.20 -0.05 0.00 0.00 175.22 173.98 2pnl s GLY 558 N -3.11 1.44 0.00 1.99 0.00 -1.26 -0.18 107.32 106.20 2pnl s GLY 558 Ca 0.24 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.28 2pnl s GLY 558 CO 0.14 -1.76 0.00 -1.14 0.00 0.00 0.00 173.10 170.34 2pnl n SER 559 N -0.39 0.00 -4.28 1.64 3.41 -0.17 -4.74 113.62 109.08 2pnl n SER 559 Ca -0.08 -0.99 -0.27 0.00 -0.26 0.00 0.00 58.87 57.26 2pnl n SER 559 Cb 0.61 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.41 2pnl n SER 559 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2pnl s LEU 560 N 0.00 2.14 0.10 1.04 1.43 -1.26 -0.62 118.68 121.50 2pnl s LEU 560 Ca 0.00 -0.52 0.10 0.00 -1.03 0.00 0.00 54.13 52.68 2pnl s LEU 560 Cb 0.00 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 2pnl s LEU 560 CO 0.00 0.21 -0.25 0.00 0.23 0.00 0.00 176.35 176.54 2pnl s ALA 561 N -0.74 2.16 0.01 4.21 0.00 0.79 -1.39 121.76 126.79 2pnl s ALA 561 Ca 0.09 -1.34 0.08 0.00 0.00 0.00 0.00 51.96 50.80 2pnl s ALA 561 Cb -0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 2pnl s ALA 561 CO 0.01 0.49 -0.25 -1.50 0.00 0.00 0.00 175.76 174.50 2pnl s ILE 562 N -1.00 2.15 -0.28 0.00 2.07 -0.29 -1.52 121.20 122.33 2pnl s ILE 562 Ca 0.11 -1.20 -0.02 0.00 -1.41 0.00 0.00 60.65 58.13 2pnl s ILE 562 Cb -0.10 -1.78 0.04 0.00 0.13 0.00 0.00 42.46 40.75 2pnl s ILE 562 CO 0.04 0.49 -0.02 -0.63 -1.91 0.00 0.00 174.94 172.91 2pnl s ILE 563 N -0.70 2.98 0.15 2.00 1.01 0.27 -0.98 121.20 125.92 2pnl s ILE 563 Ca 0.11 -1.20 0.11 0.00 0.00 0.00 0.00 60.65 59.67 2pnl s ILE 563 Cb -0.10 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 2pnl s ILE 563 CO 0.00 0.03 -0.25 0.27 0.00 0.00 0.00 174.94 175.00 2pnl s ILE 564 N 1.29 2.23 0.31 2.92 -4.36 -0.67 -2.28 121.20 120.65 2pnl s ILE 564 Ca -0.03 -1.83 -0.29 0.00 -0.26 0.00 0.00 60.65 58.24 2pnl s ILE 564 Cb -0.18 -2.00 -0.10 0.00 1.25 0.00 0.00 42.46 41.43 2pnl s ILE 564 CO -0.02 -0.00 1.36 -2.84 0.24 0.00 0.00 174.94 173.67 2pnl s PRO 565 N -2.27 4.31 0.00 0.37 0.02 -1.26 -1.21 135.00 134.97 2pnl s PRO 565 Ca 0.16 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.44 2pnl s PRO 565 Cb -0.09 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2pnl s PRO 565 CO 0.07 -0.28 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 2pnl n GLY 566 N 1.14 1.68 3.42 0.52 0.00 0.20 -4.82 105.19 107.33 2pnl n GLY 566 Ca 0.02 -1.98 -0.40 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 -2.27 3.10 -0.43 1.61 2.02 -1.26 -2.57 118.70 118.89 2pnl s GLU 567 Ca 0.00 -0.89 0.08 0.00 0.02 0.00 0.00 54.97 54.18 2pnl s GLU 567 Cb 0.00 -3.68 0.42 0.00 0.10 0.00 0.00 34.13 30.97 2pnl s GLU 567 CO 0.00 -0.56 1.04 0.66 0.02 0.00 0.00 175.26 176.42 2pnl n TYR 568 N 5.01 2.87 0.26 1.61 4.01 -1.26 -4.89 117.16 124.77 2pnl n TYR 568 Ca -0.13 -3.18 0.16 0.00 -0.16 0.00 0.00 57.90 54.60 2pnl n TYR 568 Cb 0.48 -0.21 0.88 0.00 -0.31 0.00 0.00 39.34 40.18 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 2.73 0.00 0.00 -0.72 0.13 -1.95 0.06 132.00 132.26 2pnl h PRO 569 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2pnl h PRO 569 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2pnl h PRO 569 CO 0.76 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.46 2pnl h GLU 570 N 0.00 0.00 -0.02 0.86 3.07 -1.99 -1.63 114.58 114.88 2pnl h GLU 570 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2pnl h GLU 570 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2pnl h GLU 570 CO -0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 2pnl n LEU 571 N -2.76 1.23 -4.68 1.33 4.77 0.01 -4.86 117.00 112.04 2pnl n LEU 571 Ca -0.00 -0.42 -0.32 0.00 -0.03 0.00 0.00 56.01 55.24 2pnl n LEU 571 Cb 0.18 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 2pnl n LEU 571 CO 0.21 0.21 -0.33 -0.76 -1.33 0.00 0.00 177.39 175.38 2pnl s LEU 572 N -1.97 3.47 0.42 2.23 1.43 -0.61 -4.63 118.68 119.01 2pnl s LEU 572 Ca 0.39 -0.08 -0.25 0.00 -1.03 0.00 0.00 54.13 53.16 2pnl s LEU 572 Cb 0.21 -2.07 -0.10 0.00 0.03 0.00 0.00 46.19 44.26 2pnl s LEU 572 CO 0.34 0.24 1.21 -0.67 0.23 0.00 0.00 176.35 177.69 2pnl n ASP 573 N 1.09 2.24 -0.17 2.29 2.03 -1.26 -4.86 116.55 117.91 2pnl n ASP 573 Ca -0.13 1.09 0.02 0.00 0.52 0.00 0.00 54.79 56.29 2pnl n ASP 573 Cb 0.52 -1.46 0.29 0.00 -0.72 0.00 0.00 41.12 39.75 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 1.96 1.53 0.00 -1.67 0.00 -1.93 0.60 119.26 119.75 2pnl h ALA 574 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2pnl h ALA 574 Cb 1.31 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2pnl h ALA 574 CO 0.59 0.43 0.06 0.09 0.00 0.00 0.00 179.25 180.42 2pnl n ASN 575 N -4.44 0.09 -0.31 0.00 5.03 -1.26 -1.49 115.26 112.88 2pnl n ASN 575 Ca 0.07 0.49 0.04 0.00 0.87 0.00 0.00 54.58 56.05 2pnl n ASN 575 Cb 0.05 -0.50 0.03 0.00 -1.02 0.00 0.00 39.78 38.34 2pnl n ASN 575 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pnl n GLN 576 N -1.57 0.81 -1.91 3.52 6.02 0.19 -3.17 117.38 121.27 2pnl n GLN 576 Ca -0.00 -0.89 -0.42 0.00 -0.01 0.00 0.00 57.00 55.68 2pnl n GLN 576 Cb 0.06 -1.13 0.00 0.00 1.02 0.00 0.00 30.24 30.20 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 0.27 3.03 -4.62 -1.09 6.02 -0.56 -3.20 117.38 117.23 2pnl n GLN 577 Ca 0.05 -2.83 -0.24 0.00 -0.01 0.00 0.00 57.00 53.97 2pnl n GLN 577 Cb 0.21 -3.23 -0.16 0.00 1.02 0.00 0.00 30.24 28.08 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 2.68 1.13 -0.22 5.09 1.01 -1.26 -4.99 120.40 123.84 2pnl s VAL 578 Ca 0.46 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 2pnl s VAL 578 Cb 0.12 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 2pnl s VAL 578 CO -0.06 0.34 0.14 -0.22 0.00 0.00 0.00 175.10 175.30 2pnl s LEU 579 N 0.20 4.11 0.22 3.92 2.96 -1.26 -1.06 118.68 127.78 2pnl s LEU 579 Ca -0.05 0.14 0.10 0.00 -0.22 0.00 0.00 54.13 54.10 2pnl s LEU 579 Cb -0.11 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2pnl s LEU 579 CO 0.02 0.11 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.57 2pnl s SER 580 N 0.81 3.93 -0.02 3.68 0.01 0.20 -4.96 113.70 117.34 2pnl s SER 580 Ca 0.07 -0.78 0.08 0.00 1.31 0.00 0.00 55.95 56.64 2pnl s SER 580 Cb -0.13 -0.52 -0.02 0.00 0.21 0.00 0.00 66.02 65.56 2pnl s SER 580 CO 0.02 0.07 -0.26 -1.00 0.41 0.00 0.00 173.24 172.49 2pnl s HIS 581 N -2.00 2.33 0.50 2.43 0.09 -1.26 -0.70 115.29 116.68 2pnl s HIS 581 Ca 0.26 -0.44 -0.21 0.00 -0.00 0.00 0.00 55.06 54.67 2pnl s HIS 581 Cb -0.07 -1.50 -0.07 0.00 -0.00 0.00 0.00 32.58 30.94 2pnl s HIS 581 CO 0.15 -0.04 1.11 -0.06 -0.00 0.00 0.00 174.74 175.89 2pnl s PHE 582 N -0.60 2.84 0.35 1.40 0.40 -0.80 -0.11 117.98 121.46 2pnl s PHE 582 Ca 0.10 1.56 -0.24 0.00 -0.60 0.00 0.00 56.93 57.75 2pnl s PHE 582 Cb -0.10 -3.24 -0.15 0.00 0.51 0.00 0.00 43.02 40.04 2pnl s PHE 582 CO -0.01 -1.30 0.46 0.00 0.70 0.00 0.00 175.22 175.07 2pnl n ALA 583 N -0.95 -2.15 -0.86 5.36 0.00 -0.17 -4.26 120.51 117.48 2pnl n ALA 583 Ca 0.10 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2pnl n ALA 583 Cb 0.51 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2pnl n ALA 583 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pnl n ASN 584 N 1.75 0.00 -3.41 0.00 3.02 -1.26 -3.54 115.26 111.83 2pnl n ASN 584 Ca 0.13 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.41 2pnl n ASN 584 Cb 0.35 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.44 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 3.28 2.95 -0.32 6.41 4.64 -1.26 -4.90 116.55 127.35 2pnl n ASP 585 Ca 0.00 -3.27 0.08 0.00 -1.38 0.00 0.00 54.79 50.22 2pnl n ASP 585 Cb 0.00 -0.67 0.14 0.00 -1.04 0.00 0.00 41.12 39.55 2pnl n ASP 585 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2pnl n THR 586 N 1.06 1.68 0.00 5.18 -2.24 -1.23 -4.90 114.28 113.83 2pnl n THR 586 Ca 0.28 -2.22 0.00 0.00 -2.27 0.00 0.00 64.05 59.83 2pnl n THR 586 Cb 0.43 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.11 -1.43 3.81 3.38 0.00 -1.26 -0.24 105.19 108.34 2pnl n GLY 587 Ca 0.15 -2.21 -0.06 0.00 0.00 0.00 0.00 46.02 43.90 2pnl n GLY 587 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pnl s SER 588 N -1.22 -0.23 -0.06 1.61 1.04 -1.26 -1.90 113.70 111.69 2pnl s SER 588 Ca 0.00 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 55.95 2pnl s SER 588 Cb 0.00 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.75 2pnl s SER 588 CO 0.00 -1.15 -0.14 -0.69 0.98 0.00 0.00 173.24 172.24 2pnl s VAL 589 N -3.64 1.20 0.24 5.02 1.01 0.12 -0.34 120.40 124.02 2pnl s VAL 589 Ca 0.11 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 2pnl s VAL 589 Cb -0.04 -1.08 -0.09 0.00 0.00 0.00 0.00 36.38 35.17 2pnl s VAL 589 CO 0.05 0.36 0.97 0.26 0.00 0.00 0.00 175.10 176.74 2pnl s TRP 590 N 0.43 3.91 0.00 5.22 0.52 0.23 -0.63 118.94 128.62 2pnl s TRP 590 Ca -0.11 1.88 0.00 0.00 0.02 0.00 0.00 56.10 57.89 2pnl s TRP 590 Cb -0.14 -3.04 0.00 0.00 -1.15 0.00 0.00 33.47 29.15 2pnl s TRP 590 CO 0.03 0.28 0.00 0.41 0.02 0.00 0.00 176.95 177.69 2pnl n GLY 591 N 1.45 0.46 3.74 0.98 0.00 -0.22 -0.76 105.19 110.83 2pnl n GLY 591 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.18 5.40 -1.60 -0.61 -1.09 -1.26 -0.84 121.20 119.02 2pnl s ILE 592 Ca 0.00 0.24 0.27 0.00 -2.23 0.00 0.00 60.65 58.93 2pnl s ILE 592 Cb 0.00 -3.49 0.28 0.00 -1.58 0.00 0.00 42.46 37.67 2pnl s ILE 592 CO 0.00 0.45 1.62 0.61 -1.23 0.00 0.00 174.94 176.39 2pnl n GLY 593 N 3.39 -0.80 3.00 6.18 0.00 0.31 -3.75 105.19 113.52 2pnl n GLY 593 Ca -0.16 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.58 0.60 0.66 1.61 2.02 -1.26 -5.01 118.70 114.74 2pnl s GLU 594 Ca 0.23 -0.32 -0.18 0.00 0.02 0.00 0.00 54.97 54.73 2pnl s GLU 594 Cb 0.19 -0.56 -0.00 0.00 0.10 0.00 0.00 34.13 33.86 2pnl s GLU 594 CO 0.53 0.15 1.29 -0.25 0.02 0.00 0.00 175.26 177.01 2pnl n ASP 595 N 2.75 2.00 -4.53 -0.19 8.00 -1.26 -4.62 116.55 118.71 2pnl n ASP 595 Ca -0.14 0.81 -0.36 0.00 0.71 0.00 0.00 54.79 55.81 2pnl n ASP 595 Cb 0.57 -1.56 -0.11 0.00 -0.02 0.00 0.00 41.12 40.00 2pnl n ASP 595 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pnl s ILE 596 N -1.45 4.63 -0.80 0.53 1.01 0.85 -4.91 121.20 121.07 2pnl s ILE 596 Ca 0.82 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.43 2pnl s ILE 596 Cb -0.37 -3.15 0.16 0.00 0.01 0.00 0.00 42.46 39.11 2pnl s ILE 596 CO 0.41 0.36 0.78 -0.81 0.00 0.00 0.00 174.94 175.68 2pnl n PRO 597 N 4.51 1.73 -4.26 2.79 -0.04 -1.26 -1.32 135.00 137.16 2pnl n PRO 597 Ca -0.16 -0.62 -0.14 0.00 -0.04 0.00 0.00 63.50 62.54 2pnl n PRO 597 Cb 0.52 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 2pnl n PRO 597 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2pnl s PHE 598 N -1.30 1.33 0.41 0.54 -0.12 -1.26 -4.83 117.98 112.75 2pnl s PHE 598 Ca 0.11 -1.22 -0.24 0.00 -0.05 0.00 0.00 56.93 55.53 2pnl s PHE 598 Cb 0.08 -0.74 -0.09 0.00 -0.63 0.00 0.00 43.02 41.65 2pnl s PHE 598 CO 0.03 -0.42 1.07 -1.21 -0.05 0.00 0.00 175.22 174.64 2pnl s GLU 599 N -4.05 4.08 0.00 1.99 2.02 -1.26 -1.00 118.70 120.47 2pnl s GLU 599 Ca 0.35 1.55 0.00 0.00 0.02 0.00 0.00 54.97 56.89 2pnl s GLU 599 Cb 0.07 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.81 2pnl s GLU 599 CO 0.11 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.57 2pnl n GLY 600 N 0.32 0.35 1.93 -1.39 0.00 -1.25 -4.89 105.19 100.27 2pnl n GLY 600 Ca 0.06 -1.89 -0.22 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.90 4.68 -3.13 1.61 5.75 -1.18 -4.91 116.55 116.47 2pnl n ASP 601 Ca 0.00 -3.74 -0.17 0.00 -0.01 0.00 0.00 54.79 50.87 2pnl n ASP 601 Cb 0.00 -0.76 0.02 0.00 -1.03 0.00 0.00 41.12 39.35 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 -1.02 -7.01 -3.93 -1.12 5.03 0.67 -5.01 115.26 102.87 2pnl n ASN 602 Ca 0.51 0.16 -0.16 0.00 0.87 0.00 0.00 54.58 55.96 2pnl n ASN 602 Cb 1.11 -4.04 -0.15 0.00 -1.02 0.00 0.00 39.78 35.68 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 0.08 1.96 -0.03 0.00 2.02 0.54 0.59 117.35 122.51 2pnl s TYR 605 Ca -0.00 -0.96 0.01 0.00 -0.37 0.00 0.00 57.07 55.75 2pnl s TYR 605 Cb -0.04 -1.28 0.01 0.00 -0.40 0.00 0.00 41.96 40.25 2pnl s TYR 605 CO -0.00 -0.00 -0.05 0.99 -1.57 0.00 0.00 175.55 174.92 2pnl s THR 606 N -3.31 0.47 -0.23 -0.71 2.01 -0.35 -0.61 115.64 112.91 2pnl s THR 606 Ca 0.37 -0.15 -0.14 0.00 0.31 0.00 0.00 61.69 62.07 2pnl s THR 606 Cb 0.09 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 2pnl s THR 606 CO 0.16 0.18 0.31 0.00 -0.69 0.00 0.00 174.62 174.57 2pnl s ALA 607 N 0.48 3.57 -0.03 7.40 0.00 0.06 -1.67 121.76 131.57 2pnl s ALA 607 Ca -0.06 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.21 2pnl s ALA 607 Cb -0.09 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 2pnl s ALA 607 CO -0.00 -0.38 -0.18 -0.51 0.00 0.00 0.00 175.76 174.69 2pnl s LEU 608 N 1.46 1.97 0.30 0.00 1.43 -0.16 -4.58 118.68 119.10 2pnl s LEU 608 Ca 0.14 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 2pnl s LEU 608 Cb -0.15 -1.00 -0.13 0.00 0.03 0.00 0.00 46.19 44.94 2pnl s LEU 608 CO 0.08 0.19 1.23 -2.65 0.23 0.00 0.00 176.35 175.42 2pnl n PRO 609 N 2.93 1.84 -3.81 1.29 -0.02 -1.26 -1.14 135.00 134.83 2pnl n PRO 609 Ca -0.17 0.65 -0.37 0.00 -2.02 0.00 0.00 63.50 61.59 2pnl n PRO 609 Cb 0.53 -2.18 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 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 -0.30 3.87 -0.07 2.45 2.96 -0.49 -3.57 118.68 123.54 2pnl s LEU 610 Ca 0.60 -0.94 -0.17 0.00 -0.22 0.00 0.00 54.13 53.39 2pnl s LEU 610 Cb -0.64 -1.81 -0.30 0.00 0.50 0.00 0.00 46.19 43.94 2pnl s LEU 610 CO 0.59 -0.23 0.73 0.50 -1.32 0.00 0.00 176.35 176.61 2pnl h LYS 611 N 8.16 0.31 -2.00 1.98 3.64 0.20 -3.41 116.57 125.45 2pnl h LYS 611 Ca -0.28 -0.53 -0.01 0.00 -1.27 0.00 0.00 60.65 58.57 2pnl h LYS 611 Cb 1.10 0.20 -0.21 0.00 -0.41 0.00 0.00 32.23 32.91 2pnl h LYS 611 CO 0.59 1.25 0.07 -2.00 -2.27 0.00 0.00 179.45 177.09 2pnl s GLU 612 N -2.48 0.77 -0.18 1.90 2.12 -0.62 -4.95 118.70 115.26 2pnl s GLU 612 Ca -0.16 1.12 -0.12 0.00 0.36 0.00 0.00 54.97 56.17 2pnl s GLU 612 Cb 0.03 0.26 -0.05 0.00 0.26 0.00 0.00 34.13 34.64 2pnl s GLU 612 CO 0.82 -0.13 0.22 0.42 -0.54 0.00 0.00 175.26 176.05 2pnl s ILE 613 N 1.07 5.35 -0.04 -3.70 1.09 -1.26 0.88 121.20 124.60 2pnl s ILE 613 Ca -0.05 0.39 -0.03 0.00 -1.10 0.00 0.00 60.65 59.86 2pnl s ILE 613 Cb -0.05 -3.56 -0.04 0.00 -1.06 0.00 0.00 42.46 37.75 2pnl s ILE 613 CO -0.10 0.42 0.14 -0.54 -0.10 0.00 0.00 174.94 174.75 2pnl s LYS 614 N 0.38 3.31 0.60 2.79 -0.14 0.19 -4.98 119.74 121.89 2pnl s LYS 614 Ca 0.13 -0.33 0.28 0.00 -1.36 0.00 0.00 55.97 54.69 2pnl s LYS 614 Cb -0.12 -3.04 1.18 0.00 -1.68 0.00 0.00 37.83 34.17 2pnl s LYS 614 CO 0.01 0.69 1.56 0.00 -0.76 0.00 0.00 175.35 176.86 2pnl h ARG 615 N 4.21 0.00 0.00 1.68 3.08 -2.00 1.76 114.38 123.12 2pnl h ARG 615 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2pnl h ARG 615 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2pnl h ARG 615 CO 0.64 0.00 0.00 -0.91 -1.07 0.00 0.00 179.97 178.63 2pnl h ASN 616 N 0.00 0.00 0.00 7.04 -0.26 -2.04 -3.47 115.58 116.85 2pnl h ASN 616 Ca 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.12 2pnl h ASN 616 Cb 2.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.44 2pnl h ASN 616 CO -0.00 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.98 2pnl n GLY 617 N 0.57 2.86 3.77 2.83 0.00 0.60 -4.82 105.19 111.00 2pnl n GLY 617 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2pnl n GLY 617 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pnl s ASN 618 N -1.36 5.76 -0.11 1.61 -0.87 -1.23 -3.71 114.94 115.03 2pnl s ASN 618 Ca 0.00 2.26 0.02 0.00 -1.57 0.00 0.00 52.86 53.57 2pnl s ASN 618 Cb 0.00 -2.59 -0.01 0.00 -0.02 0.00 0.00 41.25 38.63 2pnl s ASN 618 CO 0.00 -1.20 -0.16 0.27 -2.57 0.00 0.00 177.10 173.44 2pnl s ILE 619 N -1.67 2.77 -0.34 0.60 -4.36 -1.00 -0.64 121.20 116.56 2pnl s ILE 619 Ca 0.71 -0.78 -0.11 0.00 -0.26 0.00 0.00 60.65 60.21 2pnl s ILE 619 Cb -0.27 -2.12 -0.00 0.00 1.25 0.00 0.00 42.46 41.32 2pnl s ILE 619 CO 0.30 0.55 0.20 -0.69 0.24 0.00 0.00 174.94 175.54 2pnl s VAL 620 N 0.14 4.86 0.21 8.37 1.01 0.26 -1.77 120.40 133.47 2pnl s VAL 620 Ca -0.08 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.56 2pnl s VAL 620 Cb -0.15 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2pnl s VAL 620 CO 0.05 -0.02 -0.10 -0.69 0.00 0.00 0.00 175.10 174.34 2pnl s VAL 621 N 1.64 3.08 0.36 2.92 1.01 -1.01 0.20 120.40 128.61 2pnl s VAL 621 Ca 0.05 -1.85 -0.07 0.00 0.00 0.00 0.00 61.98 60.11 2pnl s VAL 621 Cb -0.18 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.66 2pnl s VAL 621 CO 0.08 -0.21 0.58 -1.83 0.00 0.00 0.00 175.10 173.71 2pnl s GLU 622 N -3.10 2.02 -0.10 2.72 -1.05 -1.23 -1.20 118.70 116.75 2pnl s GLU 622 Ca 0.27 -1.66 -0.04 0.00 -0.15 0.00 0.00 54.97 53.39 2pnl s GLU 622 Cb -0.08 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.08 2pnl s GLU 622 CO 0.16 -0.88 0.06 0.15 0.95 0.00 0.00 175.26 175.71 2pnl s LYS 623 N -2.82 3.19 0.01 -4.83 1.02 0.17 -4.34 119.74 112.14 2pnl s LYS 623 Ca 0.26 -0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.00 2pnl s LYS 623 Cb -0.02 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 2pnl s LYS 623 CO 0.18 0.74 -0.11 0.96 -0.92 0.00 0.00 175.35 176.19 2pnl s ILE 624 N -0.95 0.84 -0.86 2.17 -4.36 -1.26 -0.90 121.20 115.89 2pnl s ILE 624 Ca 0.14 -0.63 -0.19 0.00 -0.26 0.00 0.00 60.65 59.71 2pnl s ILE 624 Cb -0.12 -0.74 0.13 0.00 1.25 0.00 0.00 42.46 42.98 2pnl s ILE 624 CO 0.03 0.11 1.05 0.12 0.24 0.00 0.00 174.94 176.49 2pnl s PHE 625 N -0.49 3.08 0.17 1.37 5.36 -1.26 -4.65 117.98 121.56 2pnl s PHE 625 Ca 0.02 -1.27 -0.24 0.00 -0.96 0.00 0.00 56.93 54.48 2pnl s PHE 625 Cb -0.05 -4.23 0.06 0.00 -0.34 0.00 0.00 43.02 38.45 2pnl s PHE 625 CO 0.00 -1.47 0.89 0.00 -1.46 0.00 0.00 175.22 173.18 2pnl s ALA 626 N 2.74 -1.57 1.16 11.12 0.00 -1.26 -5.09 121.76 128.87 2pnl s ALA 626 Ca 0.29 0.11 -0.19 0.00 0.00 0.00 0.00 51.96 52.16 2pnl s ALA 626 Cb -0.08 0.68 0.28 0.00 0.00 0.00 0.00 23.12 23.99 2pnl s ALA 626 CO -0.05 -1.01 1.17 0.20 0.00 0.00 0.00 175.76 176.07 2pnl s GLY 627 N -2.90 1.64 1.08 0.00 0.00 -1.26 -4.22 107.32 101.66 2pnl s GLY 627 Ca 0.11 -1.09 -0.15 0.00 0.00 0.00 0.00 44.72 43.59 2pnl s GLY 627 CO 0.02 -0.20 1.10 2.56 0.00 0.00 0.00 173.10 176.58 2pnl s PRO 628 N -5.59 -0.22 0.63 2.90 0.04 -1.19 -4.71 135.00 126.87 2pnl s PRO 628 Ca 0.73 0.29 -0.13 0.00 0.04 0.00 0.00 61.00 61.92 2pnl s PRO 628 Cb -0.07 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 2pnl s PRO 628 CO 0.55 -3.12 1.05 0.42 0.04 0.00 0.00 177.00 175.95 2pnl s ILE 629 N -2.98 3.98 0.35 0.56 1.01 -0.02 -4.69 121.20 119.41 2pnl s ILE 629 Ca 0.67 0.80 0.00 0.00 0.00 0.00 0.00 60.65 62.12 2pnl s ILE 629 Cb -0.16 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.89 2pnl s ILE 629 CO 0.57 -0.69 0.00 0.61 0.00 0.00 0.00 174.94 175.43 2pnl n GLY 631 N -1.52 -1.91 0.82 6.18 0.00 -1.26 -0.53 105.19 106.98 2pnl n GLY 631 Ca 0.08 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.74 2.07 0.00 1.61 -0.04 -1.26 -4.59 135.00 129.06 2pnl n PRO 632 Ca -0.02 -1.62 0.13 0.00 -0.04 0.00 0.00 63.50 61.95 2pnl n PRO 632 Cb 0.64 -1.44 0.43 0.00 -0.04 0.00 0.00 33.50 33.09 2pnl n PRO 632 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2pnl n SER 633 N 0.84 0.27 -0.01 3.54 3.41 -1.26 -2.27 113.62 118.13 2pnl n SER 633 Ca 0.17 0.12 0.14 0.00 -0.26 0.00 0.00 58.87 59.05 2pnl n SER 633 Cb 0.45 -0.12 0.65 0.00 -0.26 0.00 0.00 64.21 64.93 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 -1.51 2.52 -0.27 7.33 0.00 -1.26 -1.98 120.51 125.35 2pnl n ALA 634 Ca 0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 2pnl n ALA 634 Cb 0.34 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 0.07 1.06 0.26 0.00 4.20 -1.48 -1.53 115.11 117.69 2pnl h GLN 635 Ca 0.00 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.56 2pnl h GLN 635 Cb 0.39 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2pnl h GLN 635 CO 0.00 0.82 -0.33 1.25 -0.67 0.00 0.00 178.83 179.91 2pnl h LEU 636 N 1.03 -0.91 -0.82 1.46 5.85 -1.46 0.14 115.31 120.60 2pnl h LEU 636 Ca 0.25 0.09 0.17 0.00 0.84 0.00 0.00 57.88 59.23 2pnl h LEU 636 Cb 0.11 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 2pnl h LEU 636 CO -0.03 -0.45 0.35 1.23 -0.34 0.00 0.00 178.44 179.20 2pnl h GLY 637 N -0.64 1.31 1.22 3.75 0.00 -1.72 -1.91 103.07 105.07 2pnl h GLY 637 Ca -0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 47.33 46.98 2pnl h GLY 637 CO -0.11 -0.14 -0.50 1.41 0.00 0.00 0.00 176.54 177.20 2pnl h LEU 638 N 0.46 0.92 -0.40 3.11 -0.00 -1.02 -1.05 115.31 117.33 2pnl h LEU 638 Ca 0.47 -0.47 -0.04 0.00 -0.00 0.00 0.00 57.88 57.85 2pnl h LEU 638 Cb 0.77 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 41.15 2pnl h LEU 638 CO -0.44 1.25 0.11 -1.28 -0.00 0.00 0.00 178.44 178.08 2pnl h SER 639 N 0.65 0.59 -0.06 -0.43 0.87 -0.41 -2.42 113.55 112.33 2pnl h SER 639 Ca 0.03 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.38 2pnl h SER 639 Cb 1.09 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 2pnl h SER 639 CO 0.11 0.66 -0.00 -0.07 -0.53 0.00 0.00 176.83 177.00 2pnl h LEU 640 N 0.50 -0.02 -0.87 2.23 3.38 -1.31 -1.53 115.31 117.69 2pnl h LEU 640 Ca 0.13 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.23 2pnl h LEU 640 Cb 0.29 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 2pnl h LEU 640 CO -0.00 -0.00 0.49 0.25 0.09 0.00 0.00 178.44 179.27 2pnl h LEU 641 N 0.02 0.67 0.00 1.67 5.85 -1.02 0.10 115.31 122.61 2pnl h LEU 641 Ca 0.03 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2pnl h LEU 641 Cb 0.03 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 2pnl h LEU 641 CO -0.05 0.34 -1.19 1.33 -0.34 0.00 0.00 178.44 178.52 2pnl n VAL 642 N -4.77 0.55 -0.05 1.05 0.24 -0.93 -4.29 118.33 110.13 2pnl n VAL 642 Ca 0.16 -0.55 -0.03 0.00 -2.04 0.00 0.00 64.34 61.88 2pnl n VAL 642 Cb 0.37 -0.30 -0.11 0.00 -1.47 0.00 0.00 33.84 32.32 2pnl n VAL 642 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2pnl n ASN 643 N -2.62 1.47 0.00 -1.34 4.13 -0.58 -4.56 115.26 111.76 2pnl n ASN 643 Ca -0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.25 2pnl n ASN 643 Cb 0.57 1.06 0.00 0.00 -1.54 0.00 0.00 39.78 39.87 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 -2.41 1.28 -4.69 6.41 8.00 0.27 -5.04 116.55 120.37 2pnl n ASP 644 Ca -0.18 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.89 2pnl n ASP 644 Cb 0.83 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.90 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 -1.89 4.29 -0.12 0.53 1.01 -0.73 -4.91 121.20 119.37 2pnl s ILE 645 Ca 0.00 1.62 0.02 0.00 0.00 0.00 0.00 60.65 62.29 2pnl s ILE 645 Cb 0.00 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 2pnl s ILE 645 CO 0.00 0.03 -0.10 -0.62 0.00 0.00 0.00 174.94 174.26 2pnl n GLU 646 N 4.86 0.57 -3.71 2.79 -0.58 -1.26 -4.83 120.64 118.48 2pnl n GLU 646 Ca 0.10 0.06 -0.14 0.00 -0.42 0.00 0.00 57.16 56.76 2pnl n GLU 646 Cb 0.47 -1.26 -0.14 0.00 -0.57 0.00 0.00 31.44 29.94 2pnl n GLU 646 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2pnl s ASP 647 N -5.12 0.10 0.30 1.62 -0.00 -1.26 -4.66 116.67 107.65 2pnl s ASP 647 Ca -0.16 0.39 0.00 0.00 -0.00 0.00 0.00 52.55 52.79 2pnl s ASP 647 Cb 0.04 0.32 0.00 0.00 -0.00 0.00 0.00 42.92 43.28 2pnl s ASP 647 CO 0.31 -0.19 0.00 0.61 -0.00 0.00 0.00 175.17 175.90 2pnl n GLY 648 N 4.60 -1.89 3.25 0.21 0.00 -0.60 -4.78 105.19 105.98 2pnl n GLY 648 Ca -0.19 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.42 3.50 0.29 1.61 1.01 -1.26 -2.70 120.40 121.44 2pnl s VAL 649 Ca 0.00 -1.11 -0.29 0.00 0.00 0.00 0.00 61.98 60.58 2pnl s VAL 649 Cb 0.00 -2.94 -0.13 0.00 0.00 0.00 0.00 36.38 33.31 2pnl s VAL 649 CO 0.00 -0.07 1.18 -2.65 0.00 0.00 0.00 175.10 173.56 2pnl n PRO 650 N 4.76 1.73 -2.40 2.72 -0.02 -1.26 -5.01 135.00 135.52 2pnl n PRO 650 Ca -0.13 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 2pnl n PRO 650 Cb 0.45 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 0.92 3.15 -3.58 -0.52 5.12 -1.26 -4.72 116.66 115.77 2pnl n ARG 651 Ca 0.08 -3.18 -0.11 0.00 -1.93 0.00 0.00 57.85 52.71 2pnl n ARG 651 Cb 0.33 -3.38 -0.11 0.00 -1.16 0.00 0.00 32.46 28.14 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 3.56 -0.54 -0.15 1.55 1.01 -0.53 -4.26 120.40 121.04 2pnl s VAL 653 Ca 0.51 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.56 2pnl s VAL 653 Cb 0.06 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2pnl s VAL 653 CO 0.03 0.02 0.06 -0.36 0.00 0.00 0.00 175.10 174.85 2pnl s PHE 654 N 2.51 3.28 -0.03 5.22 0.08 0.06 -0.77 117.98 128.34 2pnl s PHE 654 Ca 0.03 0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.27 2pnl s PHE 654 Cb -0.13 -1.98 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 2pnl s PHE 654 CO -0.12 0.33 -0.05 -0.08 -0.10 0.00 0.00 175.22 175.20 2pnl s THR 655 N -0.20 0.49 0.00 0.64 -1.32 -0.00 -4.20 115.64 111.05 2pnl s THR 655 Ca 0.07 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 2pnl s THR 655 Cb -0.12 -0.48 0.00 0.00 -1.51 0.00 0.00 72.50 70.39 2pnl s THR 655 CO 0.01 0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 2pnl n GLY 656 N 3.58 3.99 3.87 6.08 0.00 -0.84 -4.39 105.19 117.48 2pnl n GLY 656 Ca -0.21 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.74 3.83 -0.16 1.61 2.12 -0.65 -1.45 118.70 121.26 2pnl s GLU 657 Ca 0.00 0.35 -0.17 0.00 0.36 0.00 0.00 54.97 55.51 2pnl s GLU 657 Cb 0.00 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.76 2pnl s GLU 657 CO 0.00 0.26 0.45 0.42 -0.54 0.00 0.00 175.26 175.85 2pnl s ILE 658 N -1.89 5.18 1.08 -3.70 -1.09 -1.26 0.92 121.20 120.44 2pnl s ILE 658 Ca 0.49 0.86 -0.16 0.00 -2.23 0.00 0.00 60.65 59.60 2pnl s ILE 658 Cb -0.11 -3.78 0.23 0.00 -1.58 0.00 0.00 42.46 37.22 2pnl s ILE 658 CO 0.21 0.28 1.13 0.00 -1.23 0.00 0.00 174.94 175.34 2pnl s ALA 659 N 0.99 1.03 0.12 9.38 0.00 0.17 -4.87 121.76 128.59 2pnl s ALA 659 Ca 0.23 -0.78 0.34 0.00 0.00 0.00 0.00 51.96 51.76 2pnl s ALA 659 Cb -0.15 -2.95 1.54 0.00 0.00 0.00 0.00 23.12 21.56 2pnl s ALA 659 CO 0.09 -3.10 2.01 -0.44 0.00 0.00 0.00 175.76 174.33 2pnl h ASP 660 N -2.16 0.00 0.80 0.00 3.45 -1.98 0.11 116.42 116.65 2pnl h ASP 660 Ca -0.48 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.98 2pnl h ASP 660 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 2pnl h ASP 660 CO 0.45 0.00 0.00 -2.24 -1.57 0.00 0.00 179.24 175.88 2pnl h ASP 661 N 0.00 0.00 0.00 6.45 2.03 -1.92 -3.47 116.42 119.51 2pnl h ASP 661 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2pnl h ASP 661 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 2pnl h ASP 661 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.59 2pnl n GLU 662 N -2.42 0.00 0.00 4.15 1.02 0.03 -4.79 120.64 118.63 2pnl n GLU 662 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2pnl n GLU 662 Cb 0.25 -2.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.02 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 -2.82 0.00 -2.19 3.49 -0.58 -1.26 -4.92 120.64 112.37 2pnl n GLU 663 Ca 0.00 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.34 2pnl n GLU 663 Cb 0.00 -0.25 -0.02 0.00 -0.57 0.00 0.00 31.44 30.60 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 -1.52 2.89 -0.17 2.62 2.01 -1.26 -0.60 115.64 119.61 2pnl s THR 664 Ca 0.00 0.85 -0.14 0.00 0.31 0.00 0.00 61.69 62.71 2pnl s THR 664 Cb 0.00 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 2pnl s THR 664 CO 0.00 0.17 0.30 -0.63 -0.69 0.00 0.00 174.62 173.77 2pnl s ILE 665 N -1.22 5.30 -0.16 1.82 1.01 -1.06 0.43 121.20 127.32 2pnl s ILE 665 Ca 0.51 0.56 -0.15 0.00 0.00 0.00 0.00 60.65 61.57 2pnl s ILE 665 Cb -0.37 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 2pnl s ILE 665 CO 0.48 0.37 0.34 -0.63 0.00 0.00 0.00 174.94 175.50 2pnl s ILE 666 N 0.57 5.27 0.69 2.92 1.01 0.26 -4.84 121.20 127.08 2pnl s ILE 666 Ca 0.17 0.65 -0.17 0.00 0.00 0.00 0.00 60.65 61.30 2pnl s ILE 666 Cb -0.13 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2pnl s ILE 666 CO 0.04 0.35 1.18 -0.81 0.00 0.00 0.00 174.94 175.71 2pnl n PRO 667 N 3.74 0.81 -3.88 2.79 -0.04 -1.26 -1.64 135.00 135.53 2pnl n PRO 667 Ca -0.10 0.34 -0.23 0.00 -0.04 0.00 0.00 63.50 63.46 2pnl n PRO 667 Cb 0.52 -2.42 -0.02 0.00 -0.04 0.00 0.00 33.50 31.54 2pnl n PRO 667 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2pnl s ILE 668 N -1.61 5.25 0.43 0.52 -4.36 -1.26 -4.76 121.20 115.41 2pnl s ILE 668 Ca 0.79 -0.81 -0.14 0.00 -0.26 0.00 0.00 60.65 60.23 2pnl s ILE 668 Cb -0.36 -3.82 -0.08 0.00 1.25 0.00 0.00 42.46 39.45 2pnl s ILE 668 CO 0.45 -0.29 0.86 0.00 0.24 0.00 0.00 174.94 176.20 2pnl n GLY 670 N -1.21 -0.63 0.31 0.00 0.00 -1.26 -4.96 105.19 97.45 2pnl n GLY 670 Ca 0.04 0.27 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 2pnl n GLY 670 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2pnl h VAL 671 N -1.64 1.21 -0.99 1.61 3.04 -1.93 -2.72 116.25 114.82 2pnl h VAL 671 Ca -0.60 -0.72 0.02 0.00 -1.01 0.00 0.00 66.70 64.40 2pnl h VAL 671 Cb 1.33 0.59 -0.05 0.00 -2.01 0.00 0.00 31.29 31.15 2pnl h VAL 671 CO 0.49 0.28 0.66 0.44 -1.01 0.00 0.00 177.57 178.42 2pnl h ASP 672 N 0.81 1.11 -0.08 3.17 3.32 -1.93 0.35 116.42 123.18 2pnl h ASP 672 Ca 0.19 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2pnl h ASP 672 Cb 0.22 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2pnl h ASP 672 CO -0.01 0.79 0.03 0.40 -1.72 0.00 0.00 179.24 178.72 2pnl h ILE 673 N 1.30 1.17 -0.92 0.35 2.04 -1.90 0.60 117.51 120.15 2pnl h ILE 673 Ca 0.38 -0.50 0.08 0.00 1.00 0.00 0.00 64.86 65.82 2pnl h ILE 673 Cb -0.08 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 2pnl h ILE 673 CO -0.10 0.14 0.60 0.00 0.00 0.00 0.00 178.15 178.79 2pnl h ALA 674 N 0.84 1.53 -0.27 1.87 0.00 -1.14 -2.82 119.26 119.28 2pnl h ALA 674 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2pnl h ALA 674 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2pnl h ALA 674 CO -0.00 0.31 -0.20 0.00 0.00 0.00 0.00 179.25 179.36 2pnl h ALA 675 N 1.52 0.39 -0.76 0.00 0.00 0.20 -1.95 119.26 118.65 2pnl h ALA 675 Ca 0.41 -0.36 0.16 0.00 0.00 0.00 0.00 54.91 55.12 2pnl h ALA 675 Cb 0.27 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 2pnl h ALA 675 CO -0.16 0.33 0.26 0.82 0.00 0.00 0.00 179.25 180.50 2pnl h ILE 676 N 0.35 0.58 -0.31 0.00 2.04 -0.78 0.17 117.51 119.56 2pnl h ILE 676 Ca 0.05 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 2pnl h ILE 676 Cb 0.75 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2pnl h ILE 676 CO 0.05 0.07 -0.13 0.00 0.00 0.00 0.00 178.15 178.14 2pnl h ALA 677 N 1.59 0.43 -0.35 1.87 0.00 -1.24 -0.78 119.26 120.77 2pnl h ALA 677 Ca 0.43 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2pnl h ALA 677 Cb 0.71 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2pnl h ALA 677 CO -0.46 0.31 0.16 0.00 0.00 0.00 0.00 179.25 179.26 2pnl h ALA 678 N 0.77 0.43 -0.11 0.00 0.00 -0.72 -3.21 119.26 116.40 2pnl h ALA 678 Ca 0.07 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2pnl h ALA 678 Cb 0.65 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2pnl h ALA 678 CO 0.04 -0.21 -0.55 0.45 0.00 0.00 0.00 179.25 178.98 2pnl h HIS 679 N 0.34 0.42 -0.12 0.00 -0.00 -0.49 -0.41 115.15 114.88 2pnl h HIS 679 Ca 0.15 -0.15 0.04 0.00 -0.00 0.00 0.00 60.37 60.41 2pnl h HIS 679 Cb 0.08 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2pnl h HIS 679 CO -0.11 0.81 0.16 0.93 -0.00 0.00 0.00 177.93 179.72 2pnl h GLU 680 N 0.26 0.00 -0.58 2.45 5.08 -1.15 0.68 114.58 121.33 2pnl h GLU 680 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pnl h GLU 680 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2pnl h GLU 680 CO 0.09 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.14 2pnl n GLN 681 N -3.68 2.70 -2.90 2.33 6.02 -0.82 -4.96 117.38 116.06 2pnl n GLN 681 Ca 0.00 -2.43 -0.16 0.00 -0.01 0.00 0.00 57.00 54.40 2pnl n GLN 681 Cb 0.27 -1.47 0.03 0.00 1.02 0.00 0.00 30.24 30.09 2pnl n GLN 681 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pnl n GLY 682 N 1.30 -0.18 3.38 1.08 0.00 0.23 -4.99 105.19 106.02 2pnl n GLY 682 Ca 0.20 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -5.07 2.30 0.31 0.99 1.43 -0.22 -5.00 118.68 113.41 2pnl s LEU 683 Ca 0.26 -0.49 -0.28 0.00 -1.03 0.00 0.00 54.13 52.59 2pnl s LEU 683 Cb -0.11 -1.38 -0.09 0.00 0.03 0.00 0.00 46.19 44.63 2pnl s LEU 683 CO 0.32 0.28 1.08 -2.16 0.23 0.00 0.00 176.35 176.10 2pnl s PRO 684 N -1.09 4.52 -0.02 1.29 0.04 -1.26 -3.46 135.00 135.02 2pnl s PRO 684 Ca 0.12 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.59 2pnl s PRO 684 Cb -0.10 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 2pnl s PRO 684 CO 0.02 0.13 0.90 -1.17 0.04 0.00 0.00 177.00 176.92 2pnl s LEU 685 N -1.75 4.35 -0.18 -3.56 2.96 -1.26 -1.45 118.68 117.79 2pnl s LEU 685 Ca 0.48 1.53 0.01 0.00 -0.22 0.00 0.00 54.13 55.92 2pnl s LEU 685 Cb -0.29 -3.44 0.03 0.00 0.50 0.00 0.00 46.19 42.99 2pnl s LEU 685 CO 0.37 -0.22 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.41 2pnl s ILE 686 N 0.97 1.74 0.00 6.68 -1.09 0.05 0.40 121.20 129.96 2pnl s ILE 686 Ca 0.48 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 2pnl s ILE 686 Cb -0.20 -1.69 0.00 0.00 -1.58 0.00 0.00 42.46 38.99 2pnl s ILE 686 CO 0.25 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.92 2pnl n GLY 687 N 4.69 1.67 2.76 6.18 0.00 -1.17 -0.82 105.19 118.50 2pnl n GLY 687 Ca -0.17 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.46 5.53 -3.64 1.61 5.15 -1.25 -1.46 115.26 120.74 2pnl n ASN 688 Ca 0.00 -3.59 -0.02 0.00 -0.60 0.00 0.00 54.58 50.36 2pnl n ASN 688 Cb 0.00 -0.88 -0.03 0.00 -0.53 0.00 0.00 39.78 38.34 2pnl n ASN 688 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pnl s GLN 689 N -3.41 0.07 0.54 1.20 -2.07 -1.26 -4.32 119.66 110.42 2pnl s GLN 689 Ca 0.41 -0.01 -0.21 0.00 -1.82 0.00 0.00 55.36 53.73 2pnl s GLN 689 Cb 0.19 0.03 -0.05 0.00 -1.09 0.00 0.00 33.01 32.09 2pnl s GLN 689 CO -0.07 -0.03 1.27 -2.14 -1.32 0.00 0.00 175.29 173.00 2pnl s PRO 690 N -1.75 3.21 0.00 9.60 0.02 -1.26 -3.56 135.00 141.26 2pnl s PRO 690 Ca 0.10 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.13 2pnl s PRO 690 Cb -0.01 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.33 2pnl s PRO 690 CO -0.04 -1.06 0.00 0.41 -0.33 0.00 0.00 177.00 175.97 2pnl n GLY 691 N 0.61 2.45 3.90 0.52 0.00 -1.26 -4.96 105.19 106.45 2pnl n GLY 691 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.32 2.55 -0.02 1.61 -7.23 -1.23 -4.81 120.40 108.94 2pnl s VAL 692 Ca 0.00 0.15 0.05 0.00 -1.81 0.00 0.00 61.98 60.37 2pnl s VAL 692 Cb 0.00 -3.17 -0.24 0.00 0.56 0.00 0.00 36.38 33.53 2pnl s VAL 692 CO 0.00 -0.22 0.74 0.44 -0.31 0.00 0.00 175.10 175.75 2pnl h ASP 693 N -0.88 0.15 -3.49 4.85 3.32 -0.41 -3.46 116.42 116.50 2pnl h ASP 693 Ca -0.46 -0.27 -0.35 0.00 0.02 0.00 0.00 57.03 55.97 2pnl h ASP 693 Cb 1.30 -0.05 -0.34 0.00 0.22 0.00 0.00 39.33 40.46 2pnl h ASP 693 CO 0.65 1.24 -0.75 -1.61 -1.72 0.00 0.00 179.24 177.04 2pnl s GLU 694 N -2.61 0.38 -0.10 3.56 8.01 -1.09 -5.02 118.70 121.83 2pnl s GLU 694 Ca -0.08 0.05 -0.16 0.00 0.01 0.00 0.00 54.97 54.80 2pnl s GLU 694 Cb 0.08 -0.53 -0.05 0.00 -4.31 0.00 0.00 34.13 29.32 2pnl s GLU 694 CO 0.82 -0.13 0.39 -1.21 0.01 0.00 0.00 175.26 175.15 2pnl s GLU 695 N 1.00 4.18 -0.15 1.61 2.02 -1.26 -3.02 118.70 123.08 2pnl s GLU 695 Ca -0.10 0.31 -0.01 0.00 0.02 0.00 0.00 54.97 55.19 2pnl s GLU 695 Cb -0.14 -3.37 0.04 0.00 0.10 0.00 0.00 34.13 30.77 2pnl s GLU 695 CO -0.01 0.34 -0.01 0.14 0.02 0.00 0.00 175.26 175.73 2pnl s VAL 696 N 0.08 0.75 0.33 2.63 -7.23 -0.54 -4.97 120.40 111.45 2pnl s VAL 696 Ca 0.22 -0.40 0.19 0.00 -1.81 0.00 0.00 61.98 60.18 2pnl s VAL 696 Cb -0.15 -1.01 0.18 0.00 0.56 0.00 0.00 36.38 35.96 2pnl s VAL 696 CO 0.09 0.07 1.90 -0.09 -0.31 0.00 0.00 175.10 176.76 2pnl h ARG 697 N 8.21 0.00 -3.20 4.82 9.65 -1.95 -3.32 114.38 128.59 2pnl h ARG 697 Ca -0.21 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.69 2pnl h ARG 697 Cb 1.12 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.63 2pnl h ARG 697 CO 0.35 0.27 0.12 0.54 2.80 0.00 0.00 179.97 184.04 2pnl s ASN 698 N -6.54 -0.23 0.48 -3.80 2.20 -1.26 -2.55 114.94 103.24 2pnl s ASN 698 Ca -0.02 -0.64 0.13 0.00 -0.94 0.00 0.00 52.86 51.39 2pnl s ASN 698 Cb 0.13 0.67 1.13 0.00 -2.00 0.00 0.00 41.25 41.18 2pnl s ASN 698 CO 0.66 -1.24 2.11 0.71 -2.94 0.00 0.00 177.10 176.40 2pnl h THR 699 N 2.09 1.04 -0.38 0.54 1.35 -1.20 -2.25 112.91 114.11 2pnl h THR 699 Ca -0.23 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 2pnl h THR 699 Cb 1.25 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 68.55 2pnl h THR 699 CO 0.29 0.05 0.21 -1.28 -0.25 0.00 0.00 175.52 174.54 2pnl h SER 700 N 0.16 0.46 0.32 5.36 0.87 -1.98 0.40 113.55 119.15 2pnl h SER 700 Ca 0.04 -0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.40 2pnl h SER 700 Cb 0.02 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2pnl h SER 700 CO -0.01 0.40 -0.50 -0.07 -0.53 0.00 0.00 176.83 176.13 2pnl h LEU 701 N 0.48 0.22 -0.40 2.23 3.38 -1.83 -0.59 115.31 118.81 2pnl h LEU 701 Ca 0.13 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2pnl h LEU 701 Cb 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2pnl h LEU 701 CO -0.02 0.69 0.10 0.00 0.09 0.00 0.00 178.44 179.29 2pnl h ALA 702 N 1.32 0.52 -0.65 1.53 0.00 -1.18 -1.84 119.26 118.96 2pnl h ALA 702 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2pnl h ALA 702 Cb 0.95 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2pnl h ALA 702 CO 0.08 0.20 0.38 0.00 0.00 0.00 0.00 179.25 179.91 2pnl h ALA 703 N 0.95 0.82 -0.50 0.00 0.00 -0.74 -2.10 119.26 117.70 2pnl h ALA 703 Ca 0.12 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2pnl h ALA 703 Cb 0.31 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2pnl h ALA 703 CO 0.00 0.31 0.18 1.25 0.00 0.00 0.00 179.25 180.99 2pnl h HIS 704 N 0.88 0.32 -0.72 0.00 6.17 -1.04 -2.53 115.15 118.23 2pnl h HIS 704 Ca 0.23 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.33 2pnl h HIS 704 Cb -0.01 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 29.81 2pnl h HIS 704 CO -0.01 0.11 0.44 1.25 0.71 0.00 0.00 177.93 180.43 2pnl h LEU 705 N 0.36 0.86 -0.67 0.26 6.46 -1.10 -1.12 115.31 120.35 2pnl h LEU 705 Ca 0.24 -0.06 0.10 0.00 -0.12 0.00 0.00 57.88 58.04 2pnl h LEU 705 Cb 0.24 -0.22 -0.08 0.00 -0.73 0.00 0.00 40.66 39.88 2pnl h LEU 705 CO -0.24 0.66 0.29 0.40 -0.62 0.00 0.00 178.44 178.93 2pnl h ILE 706 N 0.98 0.77 -0.23 4.05 2.04 -1.07 0.91 117.51 124.97 2pnl h ILE 706 Ca 0.26 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2pnl h ILE 706 Cb -0.04 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2pnl h ILE 706 CO -0.05 0.09 0.11 1.56 0.00 0.00 0.00 178.15 179.86 2pnl h GLN 707 N 0.48 0.32 0.00 2.37 1.08 -0.95 -3.14 115.11 115.28 2pnl h GLN 707 Ca 0.34 -0.05 -0.19 0.00 -1.45 0.00 0.00 58.65 57.31 2pnl h GLN 707 Cb 0.43 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 2pnl h GLN 707 CO -0.31 0.33 -0.92 1.79 -0.95 0.00 0.00 178.83 178.77 2pnl h THR 708 N 0.24 1.45 0.00 -0.54 1.35 -0.64 -3.47 112.91 111.30 2pnl h THR 708 Ca 0.08 -3.08 0.00 0.00 -0.55 0.00 0.00 66.41 62.86 2pnl h THR 708 Cb 0.12 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 2pnl h THR 708 CO -0.01 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 2pnl n GLY 709 N 1.33 2.84 3.24 5.82 0.00 0.31 -4.91 105.19 113.81 2pnl n GLY 709 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.46 0.09 0.10 2.61 -1.32 -1.26 -4.94 115.64 109.46 2pnl s THR 710 Ca 0.00 -0.72 -0.31 0.00 -1.21 0.00 0.00 61.69 59.45 2pnl s THR 710 Cb 0.00 -0.93 -0.08 0.00 -1.51 0.00 0.00 72.50 69.98 2pnl s THR 710 CO 0.00 -0.40 1.47 -0.22 -2.21 0.00 0.00 174.62 173.27 2pnl s LEU 711 N -2.06 4.36 0.55 9.08 2.96 -1.26 -4.95 118.68 127.36 2pnl s LEU 711 Ca -0.05 2.38 -0.21 0.00 -0.22 0.00 0.00 54.13 56.04 2pnl s LEU 711 Cb -0.01 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.04 2pnl s LEU 711 CO -0.03 -0.74 1.13 -2.65 -1.32 0.00 0.00 176.35 172.73 2pnl n PRO 712 N 4.46 1.26 -4.20 0.98 -0.02 -1.26 -5.01 135.00 131.21 2pnl n PRO 712 Ca 0.13 0.47 -0.29 0.00 -2.02 0.00 0.00 63.50 61.79 2pnl n PRO 712 Cb 0.41 -2.31 -0.09 0.00 -0.02 0.00 0.00 33.50 31.50 2pnl n PRO 712 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2pnl s VAL 713 N -1.39 3.59 -0.17 -1.45 -7.23 -1.26 -5.11 120.40 107.38 2pnl s VAL 713 Ca 0.72 -1.28 -0.02 0.00 -1.81 0.00 0.00 61.98 59.59 2pnl s VAL 713 Cb -0.44 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 33.76 2pnl s VAL 713 CO 0.49 0.04 -0.08 -1.10 -0.31 0.00 0.00 175.10 174.14 2pnl s GLN 714 N -2.46 3.45 -0.18 4.82 -0.21 -1.26 -5.10 119.66 118.71 2pnl s GLN 714 Ca 0.24 -0.62 0.01 0.00 0.02 0.00 0.00 55.36 55.01 2pnl s GLN 714 Cb -0.11 -2.84 0.02 0.00 1.00 0.00 0.00 33.01 31.09 2pnl s GLN 714 CO 0.16 0.06 -0.19 1.03 -2.12 0.00 0.00 175.29 174.23 2pnl s ARG 715 N 0.78 2.92 0.00 2.91 0.52 -1.26 -5.35 118.95 119.47 2pnl s ARG 715 Ca -0.03 -0.80 0.27 0.00 -0.52 0.00 0.00 55.73 54.65 2pnl s ARG 715 Cb -0.15 -2.53 0.85 0.00 0.52 0.00 0.00 34.95 33.65 2pnl s ARG 715 CO 0.02 -0.21 1.63 0.00 0.02 0.00 0.00 175.30 176.76