#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ip3 s VAL 502 N 0.00 4.97 0.47 3.15 1.01 -1.26 -1.14 120.40 127.59 1ip3 s VAL 502 Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.08 1ip3 s VAL 502 Cb 0.00 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 1ip3 s VAL 502 CO 0.00 -0.24 1.08 -0.36 0.00 0.00 0.00 175.10 175.59 1ip3 s PHE 503 N 1.63 2.99 0.42 5.22 0.08 -0.37 -4.98 117.98 122.96 1ip3 s PHE 503 Ca 0.04 1.58 -0.17 0.00 0.12 0.00 0.00 56.93 58.50 1ip3 s PHE 503 Cb -0.19 -3.18 -0.09 0.00 -0.57 0.00 0.00 43.02 38.99 1ip3 s PHE 503 CO 0.09 -1.03 0.88 -2.00 -0.10 0.00 0.00 175.22 173.06 1ip3 s GLU 504 N -2.94 4.07 0.06 0.44 -6.30 -1.26 -4.84 118.70 107.93 1ip3 s GLU 504 Ca 0.65 0.90 -0.15 0.00 -2.50 0.00 0.00 54.97 53.88 1ip3 s GLU 504 Cb -0.21 -2.26 -0.04 0.00 0.00 0.00 0.00 34.13 31.62 1ip3 s GLU 504 CO 0.26 -0.03 1.25 -0.09 0.02 0.00 0.00 175.26 176.66 1ip3 h ARG 505 N 1.73 -0.11 -0.36 4.30 2.43 -1.97 -0.87 114.38 119.53 1ip3 h ARG 505 Ca -0.48 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1ip3 h ARG 505 Cb 1.18 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 1ip3 h ARG 505 CO 0.62 -0.07 0.09 0.00 -1.51 0.00 0.00 179.97 179.10 1ip3 h GLU 507 N 0.52 0.54 -0.33 0.00 4.81 -1.83 0.11 114.58 118.40 1ip3 h GLU 507 Ca 0.12 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1ip3 h GLU 507 Cb 0.20 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1ip3 h GLU 507 CO -0.00 0.36 -0.08 1.25 -0.73 0.00 0.00 179.01 179.80 1ip3 h LEU 508 N 0.56 0.64 -0.45 1.64 5.85 -0.72 -1.75 115.31 121.08 1ip3 h LEU 508 Ca 0.18 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.60 1ip3 h LEU 508 Cb -0.00 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 1ip3 h LEU 508 CO -0.07 0.86 0.09 0.00 -0.34 0.00 0.00 178.44 178.98 1ip3 h ALA 509 N 0.80 0.49 -0.58 1.25 0.00 -0.68 0.99 119.26 121.54 1ip3 h ALA 509 Ca 0.08 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1ip3 h ALA 509 Cb 0.58 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1ip3 h ALA 509 CO 0.03 -0.31 0.09 0.00 0.00 0.00 0.00 179.25 179.07 1ip3 h ARG 510 N 0.23 0.93 -0.12 0.00 3.08 -0.73 -1.68 114.38 116.09 1ip3 h ARG 510 Ca 0.22 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1ip3 h ARG 510 Cb 0.27 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1ip3 h ARG 510 CO -0.28 0.86 -0.04 1.15 -1.07 0.00 0.00 179.97 180.59 1ip3 h THR 511 N 0.88 1.30 -0.76 2.04 2.02 -0.57 -1.21 112.91 116.62 1ip3 h THR 511 Ca 0.18 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 1ip3 h THR 511 Cb 0.39 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 1ip3 h THR 511 CO 0.01 0.29 0.34 -0.07 0.37 0.00 0.00 175.52 176.46 1ip3 h LEU 512 N -0.09 1.00 -0.43 2.58 3.38 -0.74 -0.95 115.31 120.06 1ip3 h LEU 512 Ca 0.03 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1ip3 h LEU 512 Cb 0.47 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1ip3 h LEU 512 CO 0.01 0.86 0.10 0.50 0.09 0.00 0.00 178.44 180.01 1ip3 h LYS 513 N 1.09 0.69 -0.24 1.13 3.64 -1.24 -1.66 116.57 119.98 1ip3 h LYS 513 Ca 0.26 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1ip3 h LYS 513 Cb 0.14 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1ip3 h LYS 513 CO -0.03 0.70 0.10 -0.09 -2.27 0.00 0.00 179.45 177.86 1ip3 h ARG 514 N 0.56 0.33 -0.61 1.90 2.43 -0.81 -1.97 114.38 116.22 1ip3 h ARG 514 Ca 0.13 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1ip3 h ARG 514 Cb 0.32 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1ip3 h ARG 514 CO 0.00 0.27 0.00 1.28 -1.51 0.00 0.00 179.97 180.01 1ip3 n LEU 515 N -4.45 2.37 -0.38 3.80 4.77 -0.40 -4.92 117.00 117.80 1ip3 n LEU 515 Ca 0.01 -1.19 -0.05 0.00 -0.03 0.00 0.00 56.01 54.74 1ip3 n LEU 515 Cb 0.12 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1ip3 n LEU 515 CO 0.36 0.40 -0.05 0.61 -1.33 0.00 0.00 177.39 177.38 1ip3 n GLY 516 N 0.56 0.69 0.14 -0.72 0.00 -0.74 -4.96 105.19 100.17 1ip3 n GLY 516 Ca 0.11 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.33 1ip3 n GLY 516 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ip3 h MET 517 N 0.00 0.00 -6.14 1.61 2.86 -1.50 -3.39 114.93 108.37 1ip3 h MET 517 Ca -0.10 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.01 1ip3 h MET 517 Cb 0.38 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 1ip3 h MET 517 CO 0.14 0.39 1.30 0.34 1.06 0.00 0.00 176.91 180.14 1ip3 s ASP 518 N -6.27 5.59 0.00 1.22 2.15 -1.26 -2.01 116.67 116.09 1ip3 s ASP 518 Ca 0.03 0.78 0.00 0.00 0.43 0.00 0.00 52.55 53.79 1ip3 s ASP 518 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1ip3 s ASP 518 CO 0.75 -2.04 0.00 0.61 -0.17 0.00 0.00 175.17 174.32 1ip3 n GLY 519 N 5.54 0.75 3.68 2.66 0.00 0.15 -4.87 105.19 113.09 1ip3 n GLY 519 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1ip3 n GLY 519 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ip3 s TYR 520 N -2.50 1.87 -1.36 1.61 5.04 -0.85 -1.36 117.35 119.79 1ip3 s TYR 520 Ca 0.00 -0.14 -0.09 0.00 -2.44 0.00 0.00 57.07 54.40 1ip3 s TYR 520 Cb 0.00 -4.18 0.07 0.00 0.35 0.00 0.00 41.96 38.20 1ip3 s TYR 520 CO 0.00 -5.00 0.56 0.54 -1.34 0.00 0.00 175.55 170.31 1ip3 n ARG 521 N 6.35 -3.79 -0.99 4.97 5.12 -1.26 -0.87 116.66 126.19 1ip3 n ARG 521 Ca 0.18 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 1ip3 n ARG 521 Cb 0.39 -5.29 0.00 0.00 -1.16 0.00 0.00 32.46 26.40 1ip3 n ARG 521 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ip3 n GLY 522 N -1.28 0.56 3.57 -0.13 0.00 -0.47 -5.01 105.19 102.43 1ip3 n GLY 522 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1ip3 n GLY 522 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ip3 s ILE 523 N -2.33 5.14 0.72 -0.61 1.01 -0.05 -4.89 121.20 120.19 1ip3 s ILE 523 Ca 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.84 1ip3 s ILE 523 Cb 0.00 -3.80 0.03 0.00 0.01 0.00 0.00 42.46 38.70 1ip3 s ILE 523 CO 0.00 -0.01 1.10 -0.94 0.00 0.00 0.00 174.94 175.09 1ip3 s SER 524 N 1.70 4.83 0.23 3.58 1.04 -1.26 0.33 113.70 124.15 1ip3 s SER 524 Ca 0.14 1.89 -0.07 0.00 0.48 0.00 0.00 55.95 58.39 1ip3 s SER 524 Cb -0.16 -2.53 0.30 0.00 0.10 0.00 0.00 66.02 63.72 1ip3 s SER 524 CO 0.11 -1.82 1.83 0.25 0.98 0.00 0.00 173.24 174.59 1ip3 h LEU 525 N -0.58 0.70 -1.10 2.42 5.85 -1.90 -1.32 115.31 119.38 1ip3 h LEU 525 Ca -0.45 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.36 1ip3 h LEU 525 Cb 1.24 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 1ip3 h LEU 525 CO 0.53 0.44 0.61 0.00 -0.34 0.00 0.00 178.44 179.68 1ip3 h ALA 526 N 1.38 1.47 -0.51 1.25 0.00 -1.92 -0.55 119.26 120.38 1ip3 h ALA 526 Ca 0.34 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 1ip3 h ALA 526 Cb 0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ip3 h ALA 526 CO -0.18 0.39 -0.13 -0.91 0.00 0.00 0.00 179.25 178.43 1ip3 h ASN 527 N 1.09 0.98 -0.67 0.00 2.35 -1.57 -0.36 115.58 117.40 1ip3 h ASN 527 Ca 0.40 -0.32 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1ip3 h ASN 527 Cb 0.17 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1ip3 h ASN 527 CO -0.15 1.10 0.17 -0.50 -1.65 0.00 0.00 177.43 176.39 1ip3 h TRP 528 N 0.86 1.12 -0.31 1.19 4.06 -0.97 -1.65 115.95 120.25 1ip3 h TRP 528 Ca 0.13 -0.13 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1ip3 h TRP 528 Cb 0.68 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 1ip3 h TRP 528 CO 0.04 0.92 0.15 0.52 -3.56 0.00 0.00 178.44 176.51 1ip3 h MET 529 N 1.00 0.45 -0.70 0.49 2.86 -0.83 -1.01 114.93 117.19 1ip3 h MET 529 Ca 0.21 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1ip3 h MET 529 Cb 0.36 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 1ip3 h MET 529 CO 0.00 0.43 0.45 0.00 1.06 0.00 0.00 176.91 178.85 1ip3 h LEU 531 N 0.91 -0.16 -1.01 0.00 5.85 -1.01 -2.07 115.31 117.81 1ip3 h LEU 531 Ca 0.27 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1ip3 h LEU 531 Cb -0.05 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1ip3 h LEU 531 CO -0.08 -0.10 0.32 0.00 -0.34 0.00 0.00 178.44 178.24 1ip3 h ALA 532 N 0.77 1.23 0.09 1.25 0.00 -0.85 -0.20 119.26 121.55 1ip3 h ALA 532 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ip3 h ALA 532 Cb 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ip3 h ALA 532 CO -0.01 0.58 -0.04 -0.22 0.00 0.00 0.00 179.25 179.56 1ip3 h LYS 533 N 1.01 -0.12 -0.03 0.00 1.63 -0.79 -0.80 116.57 117.48 1ip3 h LYS 533 Ca 0.24 0.01 -0.15 0.00 -0.85 0.00 0.00 60.65 59.90 1ip3 h LYS 533 Cb 0.14 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1ip3 h LYS 533 CO -0.03 0.00 -0.65 -1.49 -3.45 0.00 0.00 179.45 173.83 1ip3 h TRP 534 N -0.22 0.19 0.00 1.91 4.06 -1.23 -0.46 115.95 120.20 1ip3 h TRP 534 Ca -0.01 -0.08 -0.26 0.00 2.06 0.00 0.00 58.89 60.60 1ip3 h TRP 534 Cb 0.18 -0.03 0.02 0.00 -1.00 0.00 0.00 29.16 28.33 1ip3 h TRP 534 CO -0.04 0.75 -1.04 0.93 -3.56 0.00 0.00 178.44 175.48 1ip3 h GLU 535 N 0.10 0.67 0.00 0.49 4.39 -0.94 -3.42 114.58 115.87 1ip3 h GLU 535 Ca -0.01 -0.73 0.00 0.00 0.34 0.00 0.00 59.36 58.96 1ip3 h GLU 535 Cb 1.17 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1ip3 h GLU 535 CO 0.09 1.31 0.00 -1.13 -1.16 0.00 0.00 179.01 178.12 1ip3 n SER 536 N -3.84 0.04 -0.93 1.42 3.41 -0.34 -4.82 113.62 108.55 1ip3 n SER 536 Ca -0.11 -0.49 -0.10 0.00 -0.26 0.00 0.00 58.87 57.91 1ip3 n SER 536 Cb 0.88 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.85 1ip3 n SER 536 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ip3 n GLY 537 N 0.04 0.48 2.32 5.00 0.00 -0.18 -2.09 105.19 110.76 1ip3 n GLY 537 Ca 0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1ip3 n GLY 537 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ip3 n TYR 538 N -3.44 -0.30 -3.59 1.61 0.53 -1.18 -4.78 117.16 106.00 1ip3 n TYR 538 Ca -0.11 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.38 1ip3 n TYR 538 Cb 0.47 -2.63 -0.11 0.00 -1.03 0.00 0.00 39.34 36.04 1ip3 n TYR 538 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1ip3 s ASN 539 N -2.64 5.86 0.33 7.72 3.84 -0.89 -1.24 114.94 127.92 1ip3 s ASN 539 Ca 0.00 -0.30 0.25 0.00 0.21 0.00 0.00 52.86 53.02 1ip3 s ASN 539 Cb 0.00 -2.08 1.16 0.00 -0.55 0.00 0.00 41.25 39.78 1ip3 s ASN 539 CO 0.00 -0.15 1.76 0.71 -2.79 0.00 0.00 177.10 176.63 1ip3 h THR 540 N 5.50 0.00 -0.34 -5.21 1.35 -1.46 -2.87 112.91 109.89 1ip3 h THR 540 Ca -0.33 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1ip3 h THR 540 Cb 1.17 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1ip3 h THR 540 CO 0.60 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.41 1ip3 n ARG 541 N -2.38 2.29 -1.93 4.72 1.74 -1.26 -4.07 116.66 115.77 1ip3 n ARG 541 Ca 0.01 -1.95 -0.40 0.00 -0.77 0.00 0.00 57.85 54.74 1ip3 n ARG 541 Cb 0.17 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.14 1ip3 n ARG 541 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ip3 s ALA 542 N -1.56 3.25 0.04 7.54 0.00 -1.08 -4.81 121.76 125.13 1ip3 s ALA 542 Ca 0.37 1.35 -0.11 0.00 0.00 0.00 0.00 51.96 53.57 1ip3 s ALA 542 Cb 0.21 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1ip3 s ALA 542 CO 0.30 -1.00 0.23 0.95 0.00 0.00 0.00 175.76 176.23 1ip3 s THR 543 N -1.23 0.10 -0.29 0.00 -4.23 -1.26 -0.50 115.64 108.23 1ip3 s THR 543 Ca 0.59 -0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 60.26 1ip3 s THR 543 Cb -0.41 -0.87 0.17 0.00 1.34 0.00 0.00 72.50 72.73 1ip3 s THR 543 CO 0.53 -0.44 0.58 0.21 -0.54 0.00 0.00 174.62 174.95 1ip3 s ASN 544 N -1.99 -1.12 0.28 3.99 2.47 -0.74 -4.96 114.94 112.87 1ip3 s ASN 544 Ca -0.06 0.97 -0.29 0.00 0.42 0.00 0.00 52.86 53.89 1ip3 s ASN 544 Cb -0.02 2.06 -0.09 0.00 -1.45 0.00 0.00 41.25 41.75 1ip3 s ASN 544 CO -0.03 -0.25 1.05 -0.47 -3.72 0.00 0.00 177.10 173.68 1ip3 s TYR 545 N 2.83 3.66 -0.32 0.43 6.14 -1.26 -0.42 117.35 128.41 1ip3 s TYR 545 Ca 0.13 1.75 -0.00 0.00 0.64 0.00 0.00 57.07 59.59 1ip3 s TYR 545 Cb -0.14 -3.19 0.07 0.00 0.42 0.00 0.00 41.96 39.11 1ip3 s TYR 545 CO -0.20 -0.29 0.02 -0.80 0.64 0.00 0.00 175.55 174.92 1ip3 s ASN 546 N -1.01 4.85 0.46 4.32 0.01 0.18 -4.96 114.94 118.78 1ip3 s ASN 546 Ca 0.45 -1.55 0.19 0.00 -0.71 0.00 0.00 52.86 51.24 1ip3 s ASN 546 Cb -0.30 -1.69 1.10 0.00 0.41 0.00 0.00 41.25 40.78 1ip3 s ASN 546 CO 0.38 -0.31 1.99 0.00 -1.51 0.00 0.00 177.10 177.64 1ip3 h ALA 547 N 7.91 1.48 -0.11 0.60 0.00 -1.96 -1.05 119.26 126.13 1ip3 h ALA 547 Ca -0.17 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1ip3 h ALA 547 Cb 1.05 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1ip3 h ALA 547 CO 0.54 0.25 -0.31 0.78 0.00 0.00 0.00 179.25 180.51 1ip3 h GLY 548 N 0.78 -0.44 -0.03 0.00 0.00 -1.94 -3.19 103.07 98.25 1ip3 h GLY 548 Ca -0.00 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1ip3 h GLY 548 CO 0.03 -0.22 -0.01 2.09 0.00 0.00 0.00 176.54 178.42 1ip3 n ASP 549 N -5.41 2.25 -3.82 0.19 5.75 -1.23 -5.00 116.55 109.29 1ip3 n ASP 549 Ca -0.03 -2.98 -0.26 0.00 -0.01 0.00 0.00 54.79 51.51 1ip3 n ASP 549 Cb 0.32 -0.39 0.03 0.00 -1.03 0.00 0.00 41.12 40.05 1ip3 n ASP 549 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ip3 n ARG 550 N -1.33 -5.08 -4.47 0.11 1.74 -0.43 -4.62 116.66 102.57 1ip3 n ARG 550 Ca 0.14 0.59 -0.27 0.00 -0.77 0.00 0.00 57.85 57.55 1ip3 n ARG 550 Cb 0.61 -5.28 -0.10 0.00 -1.02 0.00 0.00 32.46 26.68 1ip3 n ARG 550 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ip3 s SER 551 N -3.89 4.05 -0.00 0.55 1.04 -0.98 -4.42 113.70 110.05 1ip3 s SER 551 Ca 0.30 -1.29 0.02 0.00 0.48 0.00 0.00 55.95 55.47 1ip3 s SER 551 Cb -0.15 -0.41 -0.01 0.00 0.10 0.00 0.00 66.02 65.56 1ip3 s SER 551 CO 0.83 -0.49 -0.06 -0.89 0.98 0.00 0.00 173.24 173.61 1ip3 s THR 552 N -2.68 0.48 -0.04 2.02 2.01 -1.26 0.49 115.64 116.66 1ip3 s THR 552 Ca 0.36 -0.32 -0.15 0.00 0.31 0.00 0.00 61.69 61.90 1ip3 s THR 552 Cb 0.08 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 72.12 1ip3 s THR 552 CO 0.19 0.09 0.39 -1.81 -0.69 0.00 0.00 174.62 172.80 1ip3 s ASP 553 N -0.25 6.73 -0.02 3.53 1.01 0.44 -1.28 116.67 126.83 1ip3 s ASP 553 Ca 0.01 0.87 0.06 0.00 0.71 0.00 0.00 52.55 54.20 1ip3 s ASP 553 Cb -0.03 -2.24 -0.01 0.00 1.01 0.00 0.00 42.92 41.65 1ip3 s ASP 553 CO -0.00 0.26 -0.21 -0.31 0.21 0.00 0.00 175.17 175.12 1ip3 s TYR 554 N -0.66 1.91 0.00 4.23 2.02 0.43 -1.79 117.35 123.50 1ip3 s TYR 554 Ca 0.23 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1ip3 s TYR 554 Cb -0.16 -1.24 0.00 0.00 -0.40 0.00 0.00 41.96 40.16 1ip3 s TYR 554 CO 0.11 -0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.43 1ip3 n GLY 555 N 2.69 -1.58 0.26 0.71 0.00 0.35 -1.38 105.19 106.24 1ip3 n GLY 555 Ca -0.16 -1.31 0.09 0.00 0.00 0.00 0.00 46.02 44.64 1ip3 n GLY 555 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ip3 h ILE 556 N 0.00 0.94 -0.09 -0.61 2.10 -1.70 -1.72 117.51 116.43 1ip3 h ILE 556 Ca 0.00 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1ip3 h ILE 556 Cb 0.00 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.73 1ip3 h ILE 556 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 1ip3 n PHE 557 N -4.46 0.10 -3.62 2.19 0.99 -1.26 -4.08 117.46 107.33 1ip3 n PHE 557 Ca -0.03 -0.08 -0.29 0.00 -0.00 0.00 0.00 57.45 57.05 1ip3 n PHE 557 Cb 0.09 -0.00 0.05 0.00 -1.00 0.00 0.00 39.48 38.61 1ip3 n PHE 557 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1ip3 n GLN 558 N 0.84 -1.33 -2.84 -1.08 1.13 -0.65 -4.94 117.38 108.53 1ip3 n GLN 558 Ca 0.10 0.54 -0.41 0.00 -1.94 0.00 0.00 57.00 55.28 1ip3 n GLN 558 Cb 0.39 -4.31 -0.04 0.00 0.11 0.00 0.00 30.24 26.40 1ip3 n GLN 558 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ip3 s ILE 559 N -3.43 4.94 0.21 5.09 1.01 -0.48 -4.43 121.20 124.10 1ip3 s ILE 559 Ca 0.45 1.83 -0.30 0.00 0.00 0.00 0.00 60.65 62.63 1ip3 s ILE 559 Cb -0.15 -4.22 -0.08 0.00 0.01 0.00 0.00 42.46 38.02 1ip3 s ILE 559 CO 0.85 0.19 0.98 0.21 0.00 0.00 0.00 174.94 177.17 1ip3 s ASN 560 N 0.93 7.54 0.00 3.58 3.84 -1.26 -0.43 114.94 129.13 1ip3 s ASN 560 Ca 0.47 1.96 0.22 0.00 0.21 0.00 0.00 52.86 55.71 1ip3 s ASN 560 Cb -0.20 -2.61 1.01 0.00 -0.55 0.00 0.00 41.25 38.90 1ip3 s ASN 560 CO 0.24 0.04 1.69 -1.54 -2.79 0.00 0.00 177.10 174.74 1ip3 n SER 561 N 1.85 0.00 0.09 -4.21 3.41 -0.40 -1.91 113.62 112.45 1ip3 n SER 561 Ca -0.00 0.23 -0.22 0.00 -0.26 0.00 0.00 58.87 58.62 1ip3 n SER 561 Cb 0.47 -0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 63.88 1ip3 n SER 561 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ip3 h ARG 562 N 0.00 0.41 0.00 4.33 2.43 -1.85 -3.42 114.38 116.29 1ip3 h ARG 562 Ca 0.00 -0.70 -0.14 0.00 -0.81 0.00 0.00 59.98 58.33 1ip3 h ARG 562 Cb 0.28 0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1ip3 h ARG 562 CO 0.00 1.34 -1.52 0.66 -1.51 0.00 0.00 179.97 178.94 1ip3 n TYR 563 N -3.94 0.00 -0.13 2.20 4.02 -1.24 0.08 117.16 118.16 1ip3 n TYR 563 Ca -0.16 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.53 1ip3 n TYR 563 Cb 0.95 -0.37 -0.11 0.00 -0.02 0.00 0.00 39.34 39.79 1ip3 n TYR 563 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1ip3 n TRP 564 N -2.31 0.00 -4.27 -0.72 7.02 -0.80 -1.01 117.44 115.35 1ip3 n TRP 564 Ca -0.13 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.19 1ip3 n TRP 564 Cb 0.74 -0.96 -0.10 0.00 -2.42 0.00 0.00 31.31 28.56 1ip3 n TRP 564 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ip3 s ASN 566 N -3.01 6.15 0.00 0.00 2.47 0.40 -4.37 114.94 116.59 1ip3 s ASN 566 Ca 0.16 -0.15 0.11 0.00 0.42 0.00 0.00 52.86 53.40 1ip3 s ASN 566 Cb -0.00 -2.18 0.16 0.00 -1.45 0.00 0.00 41.25 37.78 1ip3 s ASN 566 CO 0.03 -0.26 0.99 -0.90 -3.72 0.00 0.00 177.10 173.23 1ip3 n ASP 567 N 5.29 2.26 -1.35 -4.21 5.75 -1.26 -0.30 116.55 122.73 1ip3 n ASP 567 Ca -0.10 -1.65 -0.17 0.00 -0.01 0.00 0.00 54.79 52.86 1ip3 n ASP 567 Cb 0.50 -0.08 -0.07 0.00 -1.03 0.00 0.00 41.12 40.44 1ip3 n ASP 567 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ip3 n ALA 568 N 0.57 -0.26 -1.81 2.12 0.00 -1.26 -4.74 120.51 115.13 1ip3 n ALA 568 Ca 0.08 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1ip3 n ALA 568 Cb 0.33 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1ip3 n ALA 568 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ip3 n LYS 569 N -1.85 0.00 -4.12 0.00 2.85 -1.26 -5.07 118.16 108.71 1ip3 n LYS 569 Ca -0.17 -0.65 -0.35 0.00 -1.05 0.00 0.00 58.31 56.09 1ip3 n LYS 569 Cb 0.63 -0.37 -0.13 0.00 -0.65 0.00 0.00 35.03 34.50 1ip3 n LYS 569 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ip3 s THR 570 N 0.00 3.67 0.57 0.58 2.01 -1.26 -4.95 115.64 116.25 1ip3 s THR 570 Ca 0.00 -0.41 -0.19 0.00 0.31 0.00 0.00 61.69 61.40 1ip3 s THR 570 Cb 0.00 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 1ip3 s THR 570 CO 0.00 0.44 1.13 -2.16 -0.69 0.00 0.00 174.62 173.34 1ip3 s PRO 571 N 1.04 3.23 -1.37 4.92 0.04 -1.26 -3.53 135.00 138.07 1ip3 s PRO 571 Ca 0.01 1.59 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 1ip3 s PRO 571 Cb -0.15 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.43 1ip3 s PRO 571 CO 0.01 -0.94 0.37 0.41 0.04 0.00 0.00 177.00 176.89 1ip3 n GLY 572 N 0.08 -0.50 3.82 0.56 0.00 -1.26 -4.93 105.19 102.96 1ip3 n GLY 572 Ca 0.12 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1ip3 n GLY 572 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ip3 s ALA 573 N -2.95 3.46 0.09 4.61 0.00 -1.23 -4.87 121.76 120.87 1ip3 s ALA 573 Ca 0.24 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.36 1ip3 s ALA 573 Cb -0.12 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 1ip3 s ALA 573 CO 0.30 0.36 -0.19 0.14 0.00 0.00 0.00 175.76 176.37 1ip3 s VAL 574 N -1.52 1.56 -0.71 0.00 -7.23 0.11 -5.00 120.40 107.61 1ip3 s VAL 574 Ca 0.42 -1.48 0.04 0.00 -1.81 0.00 0.00 61.98 59.15 1ip3 s VAL 574 Cb -0.16 -1.43 0.26 0.00 0.56 0.00 0.00 36.38 35.60 1ip3 s VAL 574 CO 0.20 -0.10 0.86 -3.20 -0.31 0.00 0.00 175.10 172.55 1ip3 n ASN 575 N 1.13 4.17 0.20 4.85 5.15 -1.25 -3.51 115.26 126.01 1ip3 n ASN 575 Ca -0.20 -3.44 0.12 0.00 -0.60 0.00 0.00 54.58 50.47 1ip3 n ASN 575 Cb 0.54 -0.77 0.70 0.00 -0.53 0.00 0.00 39.78 39.72 1ip3 n ASN 575 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ip3 h ALA 576 N 4.41 2.03 0.00 5.20 0.00 -1.11 -0.87 119.26 128.93 1ip3 h ALA 576 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ip3 h ALA 576 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ip3 h ALA 576 CO 0.91 -0.17 -0.36 0.00 0.00 0.00 0.00 179.25 179.63 1ip3 n HIS 578 N -1.53 -2.09 -3.93 0.00 -0.00 -0.33 -4.95 115.22 102.39 1ip3 n HIS 578 Ca 0.06 0.89 -0.10 0.00 -0.00 0.00 0.00 57.72 58.57 1ip3 n HIS 578 Cb 0.34 -4.78 -0.11 0.00 -0.00 0.00 0.00 29.99 25.44 1ip3 n HIS 578 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ip3 s LEU 579 N -6.45 1.99 0.30 2.41 1.43 -1.26 -5.07 118.68 112.03 1ip3 s LEU 579 Ca 0.02 -0.32 -0.23 0.00 -1.03 0.00 0.00 54.13 52.57 1ip3 s LEU 579 Cb -0.00 0.25 -0.09 0.00 0.03 0.00 0.00 46.19 46.38 1ip3 s LEU 579 CO 0.76 -0.26 0.86 -0.94 0.23 0.00 0.00 176.35 177.00 1ip3 s SER 580 N -1.16 7.18 0.60 2.29 1.04 -1.26 -0.45 113.70 121.94 1ip3 s SER 580 Ca -0.13 1.66 0.34 0.00 0.48 0.00 0.00 55.95 58.30 1ip3 s SER 580 Cb -0.08 -2.51 1.91 0.00 0.10 0.00 0.00 66.02 65.44 1ip3 s SER 580 CO -0.00 -0.06 2.25 0.00 0.98 0.00 0.00 173.24 176.40 1ip3 h SER 582 N 0.00 0.00 0.73 0.00 4.64 -1.92 -0.24 113.55 116.76 1ip3 h SER 582 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ip3 h SER 582 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1ip3 h SER 582 CO 0.00 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 1ip3 h ALA 583 N 1.87 1.00 -0.50 5.18 0.00 -1.61 -2.09 119.26 123.11 1ip3 h ALA 583 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ip3 h ALA 583 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ip3 h ALA 583 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1ip3 n LEU 584 N -2.96 2.95 -0.10 0.00 4.77 -0.10 -3.70 117.00 117.87 1ip3 n LEU 584 Ca -0.00 -1.48 0.06 0.00 -0.03 0.00 0.00 56.01 54.56 1ip3 n LEU 584 Cb 0.23 -0.38 0.10 0.00 -2.33 0.00 0.00 43.42 41.04 1ip3 n LEU 584 CO 0.24 0.66 0.55 0.18 -1.33 0.00 0.00 177.39 177.69 1ip3 n LEU 585 N 0.92 2.31 -4.92 2.23 4.77 -0.79 -3.13 117.00 118.39 1ip3 n LEU 585 Ca 0.17 -2.68 -0.26 0.00 -0.03 0.00 0.00 56.01 53.21 1ip3 n LEU 585 Cb 0.50 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1ip3 n LEU 585 CO 0.13 0.64 0.17 -1.10 -1.33 0.00 0.00 177.39 175.90 1ip3 s GLN 586 N -2.17 3.55 0.33 3.23 -1.52 -1.24 -4.60 119.66 117.24 1ip3 s GLN 586 Ca 0.21 -0.18 0.03 0.00 -1.95 0.00 0.00 55.36 53.47 1ip3 s GLN 586 Cb 0.18 -2.68 0.59 0.00 -0.22 0.00 0.00 33.01 30.89 1ip3 s GLN 586 CO 0.03 0.20 1.90 -0.44 -0.25 0.00 0.00 175.29 176.73 1ip3 h ASP 587 N 1.31 0.57 -3.16 5.90 3.32 -1.92 -3.40 116.42 119.04 1ip3 h ASP 587 Ca -0.49 -0.09 -0.59 0.00 0.02 0.00 0.00 57.03 55.89 1ip3 h ASP 587 Cb 1.20 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.53 1ip3 h ASP 587 CO 0.64 0.58 0.68 0.21 -1.72 0.00 0.00 179.24 179.63 1ip3 s ASN 588 N -6.67 6.99 0.00 6.45 3.84 -1.26 -4.90 114.94 119.40 1ip3 s ASN 588 Ca -0.08 1.24 0.16 0.00 0.21 0.00 0.00 52.86 54.38 1ip3 s ASN 588 Cb 0.16 -2.50 0.45 0.00 -0.55 0.00 0.00 41.25 38.81 1ip3 s ASN 588 CO 0.77 -0.62 1.38 2.30 -2.79 0.00 0.00 177.10 178.13 1ip3 n ILE 589 N 5.32 0.67 -0.21 -5.21 -5.35 -1.26 -4.49 119.36 108.82 1ip3 n ILE 589 Ca 0.10 -0.67 0.01 0.00 -0.27 0.00 0.00 62.75 61.91 1ip3 n ILE 589 Cb 0.47 0.35 0.12 0.00 -1.74 0.00 0.00 39.64 38.83 1ip3 n ILE 589 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ip3 h ALA 590 N 3.94 0.84 -0.55 -1.28 0.00 -1.95 -0.04 119.26 120.21 1ip3 h ALA 590 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1ip3 h ALA 590 Cb 0.68 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1ip3 h ALA 590 CO 0.00 -0.18 0.01 -0.44 0.00 0.00 0.00 179.25 178.64 1ip3 h ASP 591 N 0.43 0.95 -0.85 0.00 3.45 -1.88 -1.33 116.42 117.19 1ip3 h ASP 591 Ca 0.33 -0.30 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 1ip3 h ASP 591 Cb 0.41 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 38.88 1ip3 h ASP 591 CO -0.32 1.02 0.47 0.00 -1.57 0.00 0.00 179.24 178.84 1ip3 h ALA 592 N 0.96 1.10 -0.24 3.45 0.00 -1.65 -0.41 119.26 122.46 1ip3 h ALA 592 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ip3 h ALA 592 Cb 0.53 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ip3 h ALA 592 CO 0.03 0.61 0.01 0.28 0.00 0.00 0.00 179.25 180.17 1ip3 h VAL 593 N 1.19 1.25 -0.86 0.00 2.07 -0.84 0.59 116.25 119.65 1ip3 h VAL 593 Ca 0.30 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1ip3 h VAL 593 Cb 0.03 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1ip3 h VAL 593 CO -0.05 0.27 0.56 0.00 0.02 0.00 0.00 177.57 178.38 1ip3 h ALA 594 N 0.81 1.09 -0.25 1.67 0.00 -0.96 -0.13 119.26 121.49 1ip3 h ALA 594 Ca 0.07 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1ip3 h ALA 594 Cb 0.40 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ip3 h ALA 594 CO 0.01 0.51 -0.55 0.00 0.00 0.00 0.00 179.25 179.22 1ip3 h ALA 596 N 0.78 1.13 -0.64 0.00 0.00 -0.39 -0.69 119.26 119.46 1ip3 h ALA 596 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1ip3 h ALA 596 Cb 1.14 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1ip3 h ALA 596 CO 0.12 0.67 0.33 0.87 0.00 0.00 0.00 179.25 181.23 1ip3 h LYS 597 N 1.23 0.91 -0.58 0.00 1.57 -0.90 -2.23 116.57 116.57 1ip3 h LYS 597 Ca 0.30 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1ip3 h LYS 597 Cb 0.09 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1ip3 h LYS 597 CO -0.04 0.71 0.38 -0.09 -0.57 0.00 0.00 179.45 179.84 1ip3 h ARG 598 N 0.88 0.74 -0.22 3.15 9.65 -0.51 -2.24 114.38 125.83 1ip3 h ARG 598 Ca 0.22 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.08 1ip3 h ARG 598 Cb 0.09 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 1ip3 h ARG 598 CO -0.03 0.49 0.05 0.28 2.80 0.00 0.00 179.97 183.56 1ip3 h VAL 599 N 0.76 0.91 0.00 0.20 2.07 -0.81 -2.63 116.25 116.76 1ip3 h VAL 599 Ca 0.22 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1ip3 h VAL 599 Cb -0.06 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1ip3 h VAL 599 CO -0.06 0.03 0.00 1.33 0.02 0.00 0.00 177.57 178.89 1ip3 n VAL 600 N -5.07 0.45 0.24 2.57 0.24 -0.87 -2.35 118.33 113.54 1ip3 n VAL 600 Ca -0.02 0.11 0.13 0.00 -2.04 0.00 0.00 64.34 62.53 1ip3 n VAL 600 Cb 0.09 -0.77 0.43 0.00 -1.47 0.00 0.00 33.84 32.13 1ip3 n VAL 600 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ip3 h ARG 601 N 0.00 0.00 -7.30 7.34 3.08 -1.01 -3.38 114.38 113.11 1ip3 h ARG 601 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1ip3 h ARG 601 Cb 0.24 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.42 1ip3 h ARG 601 CO 0.00 0.07 0.32 -0.51 -1.07 0.00 0.00 179.97 178.78 1ip3 s ASP 602 N -6.00 4.51 0.27 7.04 -0.00 -0.99 -4.93 116.67 116.57 1ip3 s ASP 602 Ca 0.03 1.86 -0.06 0.00 -0.00 0.00 0.00 52.55 54.38 1ip3 s ASP 602 Cb 0.08 -2.53 0.50 0.00 -0.00 0.00 0.00 42.92 40.97 1ip3 s ASP 602 CO 0.61 -2.03 1.59 -0.65 -0.00 0.00 0.00 175.17 174.69 1ip3 h PRO 603 N -1.02 0.02 0.00 8.23 0.11 -1.88 -1.51 132.00 135.95 1ip3 h PRO 603 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ip3 h PRO 603 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ip3 h PRO 603 CO 0.51 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.32 1ip3 n GLN 604 N -5.51 0.42 0.00 1.05 10.64 -1.26 -4.99 117.38 117.74 1ip3 n GLN 604 Ca 0.16 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.36 1ip3 n GLN 604 Cb 0.54 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.42 1ip3 n GLN 604 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ip3 n GLY 605 N 0.99 2.97 0.06 2.61 0.00 -0.57 -2.07 105.19 109.18 1ip3 n GLY 605 Ca 0.13 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1ip3 n GLY 605 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ip3 n ILE 606 N 0.00 1.12 0.26 -0.61 3.06 -1.26 -2.19 119.36 119.74 1ip3 n ILE 606 Ca 0.00 0.35 0.05 0.00 -2.50 0.00 0.00 62.75 60.65 1ip3 n ILE 606 Cb 0.00 -1.23 0.21 0.00 0.54 0.00 0.00 39.64 39.16 1ip3 n ILE 606 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1ip3 n ARG 607 N -1.83 0.02 -0.19 9.51 1.74 -0.88 -1.85 116.66 123.18 1ip3 n ARG 607 Ca 0.02 0.39 0.15 0.00 -0.77 0.00 0.00 57.85 57.64 1ip3 n ARG 607 Cb 0.14 -1.56 0.47 0.00 -1.02 0.00 0.00 32.46 30.50 1ip3 n ARG 607 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ip3 h ALA 608 N 2.24 2.05 -2.29 7.54 0.00 -1.62 -3.38 119.26 123.80 1ip3 h ALA 608 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1ip3 h ALA 608 Cb 0.14 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.71 1ip3 h ALA 608 CO 0.00 -0.26 0.15 -1.58 0.00 0.00 0.00 179.25 177.55 1ip3 s TRP 609 N -5.47 3.13 0.32 0.00 0.51 -0.77 -4.94 118.94 111.71 1ip3 s TRP 609 Ca -0.08 0.27 0.00 0.00 -2.12 0.00 0.00 56.10 54.17 1ip3 s TRP 609 Cb 0.21 -3.19 0.53 0.00 -0.81 0.00 0.00 33.47 30.21 1ip3 s TRP 609 CO 0.77 -0.68 1.97 0.28 -0.51 0.00 0.00 176.95 178.78 1ip3 h VAL 610 N 5.72 1.16 -0.64 4.03 2.07 -1.88 -1.60 116.25 125.11 1ip3 h VAL 610 Ca -0.26 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1ip3 h VAL 610 Cb 1.11 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1ip3 h VAL 610 CO 0.85 0.18 0.36 0.00 0.02 0.00 0.00 177.57 178.98 1ip3 h ALA 611 N 1.53 1.42 -0.32 1.67 0.00 -1.94 -0.34 119.26 121.28 1ip3 h ALA 611 Ca 0.30 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1ip3 h ALA 611 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1ip3 h ALA 611 CO -0.08 0.48 -0.08 2.35 0.00 0.00 0.00 179.25 181.93 1ip3 h TRP 612 N 0.89 0.70 -0.94 0.00 7.01 -1.63 0.11 115.95 122.08 1ip3 h TRP 612 Ca 0.23 -0.15 0.01 0.00 2.11 0.00 0.00 58.89 61.09 1ip3 h TRP 612 Cb 0.01 -0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 26.85 1ip3 h TRP 612 CO 0.00 0.80 0.62 0.00 -2.79 0.00 0.00 178.44 177.07 1ip3 h ARG 613 N 0.39 1.22 0.08 2.65 3.08 -0.92 0.21 114.38 121.09 1ip3 h ARG 613 Ca 0.08 -0.07 -0.25 0.00 0.07 0.00 0.00 59.98 59.81 1ip3 h ARG 613 Cb 0.57 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1ip3 h ARG 613 CO 0.03 0.81 -1.16 -0.91 -1.07 0.00 0.00 179.97 177.67 1ip3 h ASN 614 N 1.26 0.25 0.00 7.04 2.35 -0.93 -3.35 115.58 122.20 1ip3 h ASN 614 Ca 0.35 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1ip3 h ASN 614 Cb -0.12 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1ip3 h ASN 614 CO -0.08 1.21 -0.69 0.54 -1.65 0.00 0.00 177.43 176.76 1ip3 n ARG 615 N -3.45 3.01 0.00 0.81 5.12 0.36 -4.88 116.66 117.63 1ip3 n ARG 615 Ca -0.05 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1ip3 n ARG 615 Cb 0.99 -1.02 0.00 0.00 -1.16 0.00 0.00 32.46 31.28 1ip3 n ARG 615 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ip3 n GLN 617 N -2.60 1.44 -0.77 0.00 7.27 -0.12 -1.84 117.38 120.77 1ip3 n GLN 617 Ca 0.00 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.59 1ip3 n GLN 617 Cb 0.36 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 30.90 1ip3 n GLN 617 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ip3 n ASN 618 N 2.30 -1.65 -4.87 1.69 5.03 -1.26 -4.94 115.26 111.55 1ip3 n ASN 618 Ca 0.15 0.00 -0.21 0.00 0.87 0.00 0.00 54.58 55.39 1ip3 n ASN 618 Cb 0.25 -2.01 -0.03 0.00 -1.02 0.00 0.00 39.78 36.97 1ip3 n ASN 618 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ip3 s ARG 619 N -0.92 2.75 -0.28 3.52 0.52 -0.77 -5.06 118.95 118.72 1ip3 s ARG 619 Ca 0.00 -1.29 -0.29 0.00 -0.52 0.00 0.00 55.73 53.63 1ip3 s ARG 619 Cb 0.00 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.96 1ip3 s ARG 619 CO 0.00 0.06 1.27 0.34 0.02 0.00 0.00 175.30 176.99 1ip3 s ASP 620 N -4.04 6.74 -0.09 0.23 -1.08 -1.26 -4.86 116.67 112.31 1ip3 s ASP 620 Ca 0.42 1.25 0.13 0.00 -0.52 0.00 0.00 52.55 53.84 1ip3 s ASP 620 Cb -0.06 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 39.17 1ip3 s ASP 620 CO 0.27 -1.02 1.23 1.33 0.52 0.00 0.00 175.17 177.51 1ip3 n VAL 621 N 6.06 1.67 0.25 1.11 0.24 -1.26 -4.69 118.33 121.71 1ip3 n VAL 621 Ca 0.14 -1.64 0.09 0.00 -2.04 0.00 0.00 64.34 60.89 1ip3 n VAL 621 Cb 0.46 0.05 0.62 0.00 -1.47 0.00 0.00 33.84 33.50 1ip3 n VAL 621 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ip3 h ARG 622 N 0.99 0.00 -0.32 7.34 3.08 -1.94 -2.40 114.38 121.13 1ip3 h ARG 622 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1ip3 h ARG 622 Cb 0.99 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 1ip3 h ARG 622 CO 0.07 0.13 0.27 -0.56 -1.07 0.00 0.00 179.97 178.81 1ip3 h GLN 623 N 0.00 0.00 0.00 0.04 3.07 -1.95 -1.50 115.11 114.77 1ip3 h GLN 623 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1ip3 h GLN 623 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.82 1ip3 h GLN 623 CO 0.02 0.00 -0.13 1.88 0.09 0.00 0.00 178.83 180.69 1ip3 h TYR 624 N 0.00 0.00 0.00 0.06 0.05 -1.77 -3.30 116.97 112.01 1ip3 h TYR 624 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1ip3 h TYR 624 Cb 0.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1ip3 h TYR 624 CO 0.00 0.13 0.00 1.33 -1.05 0.00 0.00 178.16 178.57 1ip3 n VAL 625 N -3.40 0.00 -1.77 -2.88 0.24 -0.81 -4.84 118.33 104.87 1ip3 n VAL 625 Ca -0.01 -0.44 -0.42 0.00 -2.04 0.00 0.00 64.34 61.43 1ip3 n VAL 625 Cb 0.31 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.66 1ip3 n VAL 625 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ip3 s GLN 626 N -0.85 4.14 0.00 7.34 -0.21 -0.63 -2.01 119.66 127.44 1ip3 s GLN 626 Ca 0.00 2.55 0.00 0.00 0.02 0.00 0.00 55.36 57.93 1ip3 s GLN 626 Cb 0.00 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.86 1ip3 s GLN 626 CO 0.00 -0.73 0.00 0.41 -2.12 0.00 0.00 175.29 172.85 1ip3 n GLY 627 N 3.96 0.92 0.10 3.09 0.00 -1.26 -4.90 105.19 107.09 1ip3 n GLY 627 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1ip3 n GLY 627 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ip3 n GLY 629 N 1.46 -0.32 0.62 0.00 0.00 -1.26 -4.95 105.19 100.74 1ip3 n GLY 629 Ca 0.07 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1ip3 n GLY 629 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65