============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. TRP 3 1.040 21.307 95.451 4.215 -99.200 -91.000 TRP6 3 1.020 20.966 95.351 1.874 -99.200 -91.000 PHE 31 1.000 9.758 61.896 -9.112 -99.200 -91.000 TYR 32 0.840 3.112 65.611 -1.320 -99.200 -91.000 TRP 35 1.040 4.281 57.550 -9.614 -99.200 -91.000 TRP6 35 1.020 4.337 55.467 -10.746 -99.200 -91.000 HIS 45 0.900 3.400 63.008 1.190 -99.200 -91.000 TRP 56 1.040 3.744 72.317 -9.109 -99.200 -91.000 TRP6 56 1.020 2.837 71.940 -6.925 -99.200 -91.000 TRP 68 1.040 0.582 76.053 -2.105 -99.200 -91.000 TRP6 68 1.020 2.422 75.785 -0.628 -99.200 -91.000 HIS 72 0.900 -1.273 74.423 1.104 -99.200 -91.000 TYR 83 0.840 10.960 66.419 1.841 -99.200 -91.000 HIS 103 0.900 12.828 82.283 12.462 -99.200 -91.000 HIS 122 0.900 -4.272 50.932 -4.577 -99.200 -91.000 PHE 123 1.000 3.274 54.460 -5.815 -99.200 -91.000 TYR 128 0.840 6.753 59.596 -13.037 -99.200 -91.000 TRP 131 1.040 5.979 54.282 -14.547 -99.200 -91.000 TRP6 131 1.020 4.127 53.479 -15.801 -99.200 -91.000 HIS 133 0.900 10.969 58.238 -23.531 -99.200 -91.000 TRP 149 1.040 2.539 47.931 -21.600 -99.200 -91.000 TRP6 149 1.020 3.271 49.737 -22.949 -99.200 -91.000 TRP 156 1.040 -17.386 66.360 -28.639 -99.200 -91.000 TRP6 156 1.020 -19.475 65.757 -27.704 -99.200 -91.000 TYR 162 0.840 -4.243 60.055 -32.043 -99.200 -91.000 HIS 166 0.900 -0.774 60.248 -32.253 -99.200 -91.000 TYR 172 0.840 -9.310 60.356 -30.674 -99.200 -91.000 TRP 184 1.040 -25.348 64.001 -23.609 -99.200 -91.000 TRP6 184 1.020 -23.816 63.309 -25.268 -99.200 -91.000 HIS 199 0.900 -10.961 51.953 -29.316 -99.200 -91.000 HIS 203 0.900 -9.738 39.305 -17.484 -99.200 -91.000 TYR 210 0.840 -2.614 60.907 -24.299 -99.200 -91.000 TYR 215 0.840 -13.578 68.027 -18.041 -99.200 -91.000 TYR 226 0.840 -20.706 49.467 -15.417 -99.200 -91.000 TRP 239 1.040 -0.771 67.199 -25.487 -99.200 -91.000 TRP6 239 1.020 0.697 65.752 -26.674 -99.200 -91.000 TRP 242 1.040 4.553 62.721 -24.402 -99.200 -91.000 TRP6 242 1.020 5.270 60.643 -23.481 -99.200 -91.000 PHE 263 1.000 -13.449 43.235 -20.457 -99.200 -91.000 HIS 285 0.900 -31.489 64.374 3.529 -99.200 -91.000 TRP 297 1.040 -20.405 79.045 -3.478 -99.200 -91.000 TRP6 297 1.020 -20.904 77.442 -1.770 -99.200 -91.000 PHE 300 1.000 -23.585 72.867 -2.731 -99.200 -91.000 TYR 307 0.840 -23.167 71.169 -17.544 -99.200 -91.000 TYR 309 0.840 -26.247 70.311 -22.262 -99.200 -91.000 TRP 321 1.040 -19.082 72.720 -3.718 -99.200 -91.000 TRP6 321 1.020 -17.493 74.364 -3.112 -99.200 -91.000 HIS 323 0.900 -14.049 73.021 -1.939 -99.200 -91.000 HIS 330 0.900 -11.861 76.413 -16.926 -99.200 -91.000 PHE 334 1.000 -11.442 67.950 -6.760 -99.200 -91.000 HIS 335 0.900 -6.957 70.112 -12.684 -99.200 -91.000 TRP 351 1.040 -13.665 65.886 -1.498 -99.200 -91.000 TRP6 351 1.020 -12.751 63.990 -2.596 -99.200 -91.000 TRP 354 1.040 -18.797 71.646 2.073 -99.200 -91.000 TRP6 354 1.020 -21.161 71.917 2.039 -99.200 -91.000 PHE 364 1.000 -16.200 61.373 -5.377 -99.200 -91.000 TYR 365 0.840 -24.483 65.407 -7.850 -99.200 -91.000 TRP 370 1.040 -17.480 63.960 -19.886 -99.200 -91.000 TRP6 370 1.020 -16.071 64.712 -21.659 -99.200 -91.000 PHE 376 1.000 -14.324 55.798 -9.567 -99.200 -91.000 TYR 378 0.840 -7.625 63.725 -9.674 -99.200 -91.000 TRP 384 1.040 -10.969 58.651 0.096 -99.200 -91.000 TRP6 384 1.020 -12.721 60.129 0.653 -99.200 -91.000 TYR 390 0.840 -27.163 60.422 -9.879 -99.200 -91.000 TRP 394 1.040 -28.756 70.381 -12.066 -99.200 -91.000 TRP6 394 1.020 -30.289 70.504 -10.287 -99.200 -91.000 TYR 395 0.840 -29.452 66.552 -19.406 -99.200 -91.000 TRP 397 1.040 -32.154 65.542 -7.942 -99.200 -91.000 TRP6 397 1.020 -32.125 63.604 -6.574 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ippB1 SER 20 HA 0.00 -0.02 0.21 -0.75 4.49 3.94 3ippB1 SER 20 HB2 -0.06 0.04 -0.09 -0.04 3.95 3.80 3ippB1 SER 20 HB3 -0.03 0.04 0.02 -0.04 3.93 3.91 3ippB1 SER 21 H -0.14 0.15 0.11 -0.55 8.46 8.04 3ippB1 SER 21 HA -0.21 0.19 0.38 -0.75 4.49 4.10 3ippB1 SER 21 HB2 -0.48 0.02 0.11 -0.04 3.95 3.55 3ippB1 SER 21 HB3 -0.26 -0.01 0.09 -0.04 3.93 3.71 3ippB1 TRP 22 H -0.02 0.00 -0.21 -0.55 7.97 7.19 3ippB1 TRP 22 HA -0.01 0.17 0.82 -0.75 4.62 4.84 3ippB1 TRP 22 HB2 -0.01 -0.02 0.04 -0.04 3.23 3.20 3ippB1 TRP 22 HB3 -0.01 -0.02 0.03 -0.04 3.23 3.19 3ippB1 TRP 22 HD1 -0.00 0.00 -0.01 -0.04 7.22 7.17 3ippB1 TRP 22 HE1 -0.00 -0.02 -0.03 -0.04 10.20 10.11 3ippB1 TRP 22 HE3 -0.01 0.04 0.09 -0.04 7.59 7.66 3ippB1 TRP 22 HZ2 -0.01 -0.03 -0.02 -0.04 7.44 7.35 3ippB1 TRP 22 HZ3 -0.01 -0.01 0.01 -0.04 7.13 7.08 3ippB1 TRP 22 HH2 -0.01 -0.03 -0.01 -0.04 7.19 7.11 3ippB1 ALA 23 H 0.11 -0.04 -0.21 -0.55 8.40 7.71 3ippB1 ALA 23 HA 0.08 -0.01 0.52 -0.75 4.34 4.18 3ippB1 ALA 23 HB3 0.04 0.04 0.05 -0.04 1.41 1.50 3ippB1 ALA 24 H 0.02 0.00 0.10 -0.55 8.40 7.98 3ippB1 ALA 24 HA 0.04 0.05 0.31 -0.75 4.34 3.98 3ippB1 ALA 24 HB3 0.06 0.06 0.22 -0.04 1.41 1.71 3ippB1 GLU 25 H 0.02 -0.01 0.15 -0.55 8.60 8.22 3ippB1 GLU 25 HA 0.01 -0.45 0.49 -0.75 4.29 3.59 3ippB1 GLU 25 HB2 0.01 -0.02 0.12 -0.04 2.09 2.16 3ippB1 GLU 25 HB3 0.01 0.07 -0.04 -0.04 1.99 1.98 3ippB1 GLU 25 HG2 0.03 0.00 0.07 -0.04 2.34 2.40 3ippB1 GLU 25 HG3 0.01 0.01 0.02 -0.04 2.34 2.34 3ippB1 LEU 26 H 0.01 0.01 0.23 -0.55 8.37 8.08 3ippB1 LEU 26 HA 0.01 0.22 0.78 -0.75 4.35 4.60 3ippB1 LEU 26 HB2 0.01 -0.13 0.05 -0.04 1.64 1.53 3ippB1 LEU 26 HB3 0.01 0.02 0.05 -0.04 1.64 1.68 3ippB1 LEU 26 HG 0.01 0.36 0.16 -0.04 1.64 2.13 3ippB1 LEU 26 HD13 -0.00 -0.02 -0.07 -0.04 0.93 0.80 3ippB1 LEU 26 HD23 0.00 -0.04 -0.06 -0.04 0.89 0.75 3ippB1 ALA 27 H 0.03 0.35 0.15 -0.55 8.40 8.39 3ippB1 ALA 27 HA 0.05 0.09 0.50 -0.75 4.34 4.22 3ippB1 ALA 27 HB3 0.08 0.00 -0.06 -0.04 1.41 1.40 3ippB1 LYS 28 H 0.02 0.08 0.12 -0.55 8.42 8.10 3ippB1 LYS 28 HA 0.01 0.09 0.55 -0.75 4.32 4.22 3ippB1 LYS 28 HB2 0.01 -0.01 0.13 -0.04 1.87 1.96 3ippB1 LYS 28 HB3 0.01 -0.04 0.17 -0.04 1.79 1.89 3ippB1 LYS 28 HG2 0.00 0.18 -0.09 -0.04 1.46 1.51 3ippB1 LYS 28 HG3 0.00 -0.07 0.02 -0.04 1.46 1.38 3ippB1 LYS 28 HD2 -0.01 -0.04 0.01 -0.04 1.69 1.61 3ippB1 LYS 28 HD3 -0.00 -0.02 -0.13 -0.04 1.68 1.48 3ippB1 LYS 28 HE2 -0.01 -0.06 -0.02 -0.04 2.99 2.86 3ippB1 LYS 28 HE3 -0.00 0.08 0.03 -0.04 2.99 3.05 3ippB1 PRO 29 HA 0.01 0.04 0.56 -0.51 4.44 4.54 3ippB1 PRO 29 HB2 0.00 -0.04 -0.04 -0.04 2.28 2.16 3ippB1 PRO 29 HB3 0.01 -0.00 0.14 -0.04 2.02 2.12 3ippB1 PRO 29 HG2 0.00 0.02 0.09 -0.04 2.03 2.10 3ippB1 PRO 29 HG3 0.01 0.04 0.14 -0.04 2.03 2.17 3ippB1 PRO 29 HD2 0.00 0.07 0.20 -0.04 3.68 3.92 3ippB1 PRO 29 HD3 0.01 0.19 0.28 -0.04 3.65 4.09 3ippB1 LEU 30 H 0.01 0.50 0.37 -0.55 8.37 8.71 3ippB1 LEU 30 HA 0.00 0.17 0.91 -0.75 4.35 4.67 3ippB1 LEU 30 HB2 0.02 -0.03 -0.05 -0.04 1.64 1.54 3ippB1 LEU 30 HB3 0.01 -0.03 -0.11 -0.04 1.64 1.47 3ippB1 LEU 30 HG 0.01 0.18 -0.27 -0.04 1.64 1.52 3ippB1 LEU 30 HD13 0.01 0.00 -0.18 -0.04 0.93 0.71 3ippB1 LEU 30 HD23 -0.01 0.00 -0.09 -0.04 0.89 0.76 3ippB1 THR 31 H -0.00 0.19 0.13 -0.55 8.28 8.04 3ippB1 THR 31 HA -0.01 0.04 0.68 -0.75 4.39 4.34 3ippB1 THR 31 HB -0.02 0.03 0.11 -0.04 4.32 4.40 3ippB1 THR 31 HG23 -0.01 0.06 0.01 -0.04 1.22 1.24 3ippB1 LEU 32 H -0.02 0.17 0.08 -0.55 8.37 8.05 3ippB1 LEU 32 HA 0.00 0.13 0.32 -0.75 4.35 4.05 3ippB1 LEU 32 HB2 -0.04 -0.01 0.05 -0.04 1.64 1.59 3ippB1 LEU 32 HB3 -0.02 0.02 0.04 -0.04 1.64 1.64 3ippB1 LEU 32 HG -0.00 0.03 -0.16 -0.04 1.64 1.46 3ippB1 LEU 32 HD13 0.02 0.02 -0.04 -0.04 0.93 0.89 3ippB1 LEU 32 HD23 -0.02 0.01 -0.01 -0.04 0.89 0.83 3ippB1 ASP 33 H -0.01 0.05 -0.25 -0.55 8.40 7.65 3ippB1 ASP 33 HA -0.01 0.14 0.26 -0.75 4.63 4.27 3ippB1 ASP 33 HB2 -0.01 -0.08 0.03 -0.04 2.71 2.61 3ippB1 ASP 33 HB3 -0.01 0.09 -0.06 -0.04 2.70 2.68 3ippB1 GLN 34 H -0.01 0.01 -0.25 -0.55 8.47 7.68 3ippB1 GLN 34 HA -0.01 0.09 0.47 -0.75 4.36 4.15 3ippB1 GLN 34 HB2 -0.00 -0.04 0.13 -0.04 2.15 2.19 3ippB1 GLN 34 HB3 -0.01 0.10 -0.03 -0.04 2.02 2.04 3ippB1 GLN 34 HG2 -0.01 0.08 0.02 -0.04 2.40 2.46 3ippB1 GLN 34 HG3 -0.01 -0.08 0.01 -0.04 2.39 2.27 3ippB1 GLN 34 HE21 -0.01 0.05 0.02 -0.04 6.97 6.99 3ippB1 GLN 34 HE22 -0.01 0.03 0.01 -0.04 7.69 7.68 3ippB1 LEU 35 H 0.00 0.54 -0.17 -0.55 8.37 8.20 3ippB1 LEU 35 HA 0.01 0.07 0.27 -0.75 4.35 3.93 3ippB1 LEU 35 HB2 0.02 -0.04 -0.12 -0.04 1.64 1.45 3ippB1 LEU 35 HB3 0.02 0.10 -0.01 -0.04 1.64 1.71 3ippB1 LEU 35 HG 0.03 0.06 -0.43 -0.04 1.64 1.26 3ippB1 LEU 35 HD13 0.03 0.02 -0.25 -0.04 0.93 0.69 3ippB1 LEU 35 HD23 0.06 -0.03 -0.45 -0.04 0.89 0.43 3ippB1 GLN 36 H 0.00 0.50 -0.34 -0.55 8.47 8.09 3ippB1 GLN 36 HA 0.01 0.11 0.31 -0.75 4.36 4.04 3ippB1 GLN 36 HB2 0.00 0.02 0.11 -0.04 2.15 2.24 3ippB1 GLN 36 HB3 0.00 -0.01 -0.01 -0.04 2.02 1.96 3ippB1 GLN 36 HG2 0.01 0.05 -0.03 -0.04 2.40 2.39 3ippB1 GLN 36 HG3 0.01 -0.00 -0.04 -0.04 2.39 2.31 3ippB1 GLN 36 HE21 0.00 -0.05 -0.03 -0.04 6.97 6.85 3ippB1 GLN 36 HE22 0.02 0.10 -0.04 -0.04 7.69 7.73 3ippB1 GLN 37 H -0.00 0.38 -0.10 -0.55 8.47 8.20 3ippB1 GLN 37 HA -0.00 0.00 0.45 -0.75 4.36 4.06 3ippB1 GLN 37 HB2 -0.00 0.00 0.16 -0.04 2.15 2.26 3ippB1 GLN 37 HB3 -0.01 0.00 0.13 -0.04 2.02 2.10 3ippB1 GLN 37 HG2 -0.01 0.00 0.09 -0.04 2.40 2.44 3ippB1 GLN 37 HG3 -0.01 0.00 0.01 -0.04 2.39 2.36 3ippB1 GLN 37 HE21 -0.01 -0.01 -0.03 -0.04 6.97 6.89 3ippB1 GLN 37 HE22 -0.01 -0.03 0.01 -0.04 7.69 7.63 3ippB1 GLN 38 H -0.00 0.43 -0.39 -0.55 8.47 7.97 3ippB1 GLN 38 HA -0.01 0.09 0.61 -0.75 4.36 4.30 3ippB1 GLN 38 HB2 -0.01 0.06 0.08 -0.04 2.15 2.24 3ippB1 GLN 38 HB3 -0.02 -0.01 0.16 -0.04 2.02 2.11 3ippB1 GLN 38 HG2 -0.02 -0.01 -0.01 -0.04 2.40 2.32 3ippB1 GLN 38 HG3 -0.01 -0.07 -0.08 -0.04 2.39 2.18 3ippB1 GLN 38 HE21 -0.02 -0.05 -0.07 -0.04 6.97 6.79 3ippB1 GLN 38 HE22 -0.01 -0.02 -0.04 -0.04 7.69 7.57 3ippB1 ASN 39 H 0.00 0.35 -0.57 -0.55 8.53 7.76 3ippB1 ASN 39 HA 0.01 0.02 0.34 -0.75 4.76 4.38 3ippB1 ASN 39 HB2 0.00 0.05 -0.12 -0.04 2.88 2.77 3ippB1 ASN 39 HB3 0.00 -0.03 0.26 -0.04 2.79 2.98 3ippB1 ASN 39 HD21 -0.00 -0.05 0.00 -0.04 7.03 6.94 3ippB1 ASN 39 HD22 -0.00 -0.02 -0.03 -0.04 7.74 7.65 3ippB1 GLY 40 H 0.01 0.52 -0.18 -0.55 8.43 8.24 3ippB1 GLY 40 HA2 0.02 0.14 0.54 -0.51 4.01 4.20 3ippB1 GLY 40 HA3 0.02 -0.08 0.28 -0.51 4.01 3.72 3ippB1 LYS 41 H 0.03 0.59 0.32 -0.55 8.42 8.80 3ippB1 LYS 41 HA 0.04 0.19 0.95 -0.75 4.32 4.74 3ippB1 LYS 41 HB2 0.03 0.05 0.07 -0.04 1.87 1.97 3ippB1 LYS 41 HB3 0.04 -0.08 -0.08 -0.04 1.79 1.62 3ippB1 LYS 41 HG2 0.01 -0.02 0.04 -0.04 1.46 1.45 3ippB1 LYS 41 HG3 0.02 0.13 -0.07 -0.04 1.46 1.50 3ippB1 LYS 41 HD2 0.00 -0.02 -0.05 -0.04 1.69 1.58 3ippB1 LYS 41 HD3 -0.01 -0.05 -0.08 -0.04 1.68 1.49 3ippB1 LYS 41 HE2 -0.02 0.06 0.02 -0.04 2.99 3.01 3ippB1 LYS 41 HE3 -0.00 -0.05 -0.02 -0.04 2.99 2.88 3ippB1 ALA 42 H 0.08 0.26 0.13 -0.55 8.40 8.32 3ippB1 ALA 42 HA 0.10 0.28 1.00 -0.75 4.34 4.97 3ippB1 ALA 42 HB3 0.20 -0.03 -0.02 -0.04 1.41 1.53 3ippB1 ILE 43 H 0.04 0.68 0.36 -0.55 8.25 8.78 3ippB1 ILE 43 HA -0.03 0.22 1.08 -0.75 4.18 4.69 3ippB1 ILE 43 HB -0.04 -0.03 -0.00 -0.04 1.89 1.77 3ippB1 ILE 43 HG12 0.12 0.05 -0.23 -0.04 1.49 1.38 3ippB1 ILE 43 HG13 0.06 -0.02 -0.62 -0.04 1.21 0.58 3ippB1 ILE 43 HG23 -0.11 -0.02 -0.27 -0.04 0.93 0.49 3ippB1 ILE 43 HD13 0.12 0.01 -0.18 -0.04 0.88 0.79 3ippB1 ASP 44 H -0.21 0.85 0.29 -0.55 8.40 8.79 3ippB1 ASP 44 HA -1.18 0.03 0.72 -0.75 4.63 3.45 3ippB1 ASP 44 HB2 -0.09 0.02 0.08 -0.04 2.71 2.68 3ippB1 ASP 44 HB3 -0.11 0.04 0.20 -0.04 2.70 2.79 3ippB1 THR 45 H -0.40 0.52 0.33 -0.55 8.28 8.18 3ippB1 THR 45 HA -0.40 0.47 0.61 -0.75 4.39 4.32 3ippB1 THR 45 HB -0.25 -0.11 0.13 -0.04 4.32 4.05 3ippB1 THR 45 HG23 -0.22 0.07 -0.03 -0.04 1.22 0.99 3ippB1 ARG 46 H -0.21 0.09 -0.20 -0.55 8.46 7.59 3ippB1 ARG 46 HA -0.10 0.05 0.56 -0.75 4.34 4.10 3ippB1 ARG 46 HB2 0.06 0.03 -0.02 -0.04 1.90 1.92 3ippB1 ARG 46 HB3 0.16 0.07 0.08 -0.04 1.80 2.06 3ippB1 ARG 46 HG2 -0.07 -0.07 0.08 -0.04 1.67 1.57 3ippB1 ARG 46 HG3 -0.06 -0.09 0.07 -0.04 1.67 1.55 3ippB1 ARG 46 HD2 -0.07 0.06 -0.02 -0.04 3.22 3.15 3ippB1 ARG 46 HD3 0.03 -0.01 -0.02 -0.04 3.22 3.17 3ippB1 PRO 47 HA -0.19 0.04 0.49 -0.51 4.44 4.28 3ippB1 PRO 47 HB2 -0.17 -0.03 0.02 -0.04 2.28 2.07 3ippB1 PRO 47 HB3 -0.07 0.06 0.12 -0.04 2.02 2.09 3ippB1 PRO 47 HG2 0.17 0.12 0.09 -0.04 2.03 2.37 3ippB1 PRO 47 HG3 -0.02 0.05 0.10 -0.04 2.03 2.12 3ippB1 PRO 47 HD2 0.21 0.13 0.23 -0.04 3.68 4.20 3ippB1 PRO 47 HD3 -0.04 0.12 0.24 -0.04 3.65 3.92 3ippB1 SER 48 H 0.09 0.13 0.13 -0.55 8.46 8.26 3ippB1 SER 48 HA 0.11 0.11 0.26 -0.75 4.49 4.22 3ippB1 SER 48 HB2 0.20 0.12 0.01 -0.04 3.95 4.24 3ippB1 SER 48 HB3 0.42 -0.01 0.06 -0.04 3.93 4.36 3ippB1 ALA 49 H -0.17 0.03 -0.20 -0.55 8.40 7.51 3ippB1 ALA 49 HA 0.07 0.15 0.41 -0.75 4.34 4.22 3ippB1 ALA 49 HB3 -1.07 0.01 -0.01 -0.04 1.41 0.30 3ippB1 PHE 50 H -0.27 0.19 -0.35 -0.55 8.34 7.36 3ippB1 PHE 50 HA 0.05 0.37 0.43 -0.75 4.62 4.72 3ippB1 PHE 50 HB2 -0.01 -0.07 -0.01 -0.04 3.15 3.03 3ippB1 PHE 50 HB3 0.01 0.09 -0.02 -0.04 3.06 3.10 3ippB1 PHE 50 HD2 -0.04 0.16 -0.21 -0.04 7.28 7.15 3ippB1 PHE 50 HE2 -0.07 0.05 -0.09 -0.04 7.38 7.22 3ippB1 PHE 50 HZ -0.10 0.01 -0.04 -0.04 7.32 7.15 3ippB1 TYR 51 H 0.26 0.26 -0.11 -0.55 8.29 8.15 3ippB1 TYR 51 HA 0.16 0.03 0.33 -0.75 4.56 4.33 3ippB1 TYR 51 HB2 -0.02 -0.03 -0.02 -0.04 3.06 2.95 3ippB1 TYR 51 HB3 0.04 0.07 0.11 -0.04 2.98 3.15 3ippB1 TYR 51 HD2 -0.03 -0.02 -0.11 -0.04 7.15 6.96 3ippB1 TYR 51 HE2 -0.25 -0.05 -0.20 -0.04 6.85 6.31 3ippB1 ASN 52 H 0.20 0.63 -0.31 -0.55 8.53 8.50 3ippB1 ASN 52 HA 0.06 -0.03 0.30 -0.75 4.76 4.33 3ippB1 ASN 52 HB2 0.18 0.14 0.13 -0.04 2.88 3.29 3ippB1 ASN 52 HB3 0.13 -0.06 0.11 -0.04 2.79 2.94 3ippB1 ASN 52 HD21 0.12 -0.05 -0.10 -0.04 7.03 6.96 3ippB1 ASN 52 HD22 0.18 0.03 -0.06 -0.04 7.74 7.86 3ippB1 GLY 53 H -0.06 0.31 -0.45 -0.55 8.43 7.68 3ippB1 GLY 53 HA2 -0.38 0.01 0.11 -0.51 4.01 3.24 3ippB1 GLY 53 HA3 -0.78 0.12 0.69 -0.51 4.01 3.53 3ippB1 TRP 54 H -0.17 0.33 0.10 -0.55 7.97 7.68 3ippB1 TRP 54 HA -0.26 0.08 0.45 -0.75 4.62 4.14 3ippB1 TRP 54 HB2 -0.25 -0.13 -0.25 -0.04 3.23 2.57 3ippB1 TRP 54 HB3 0.18 0.05 -0.12 -0.04 3.23 3.30 3ippB1 TRP 54 HD1 -0.08 0.05 0.12 -0.04 7.22 7.27 3ippB1 TRP 54 HE1 0.10 0.62 0.12 -0.04 10.20 10.98 3ippB1 TRP 54 HE3 0.34 0.02 -0.03 -0.04 7.59 7.87 3ippB1 TRP 54 HZ2 -0.44 0.11 -0.27 -0.04 7.44 6.80 3ippB1 TRP 54 HZ3 0.11 0.21 -0.12 -0.04 7.13 7.29 3ippB1 TRP 54 HH2 -1.10 0.16 -0.07 -0.04 7.19 6.13 3ippB1 PRO 55 HA 0.10 0.25 0.66 -0.51 4.44 4.95 3ippB1 PRO 55 HB2 0.11 0.03 -0.03 -0.04 2.28 2.35 3ippB1 PRO 55 HB3 0.05 0.32 -0.13 -0.04 2.02 2.21 3ippB1 PRO 55 HG2 0.27 -0.11 -0.07 -0.04 2.03 2.08 3ippB1 PRO 55 HG3 0.14 0.02 0.04 -0.04 2.03 2.18 3ippB1 PRO 55 HD2 0.49 -0.03 0.17 -0.04 3.68 4.26 3ippB1 PRO 55 HD3 -0.08 0.29 0.20 -0.04 3.65 4.02 3ippB1 GLN 56 H -0.01 0.20 0.13 -0.55 8.47 8.26 3ippB1 GLN 56 HA -0.13 0.07 0.49 -0.75 4.36 4.03 3ippB1 GLN 56 HB2 -0.14 0.03 0.09 -0.04 2.15 2.09 3ippB1 GLN 56 HB3 -0.24 -0.03 0.08 -0.04 2.02 1.79 3ippB1 GLN 56 HG2 -1.26 -0.04 -0.01 -0.04 2.40 1.06 3ippB1 GLN 56 HG3 -0.35 0.10 0.02 -0.04 2.39 2.11 3ippB1 GLN 56 HE21 -0.21 -0.10 0.00 -0.04 6.97 6.62 3ippB1 GLN 56 HE22 -0.44 0.01 0.02 -0.04 7.69 7.23 3ippB1 THR 57 H 0.06 0.20 -0.18 -0.55 8.28 7.82 3ippB1 THR 57 HA 0.07 0.18 0.77 -0.75 4.39 4.65 3ippB1 THR 57 HB 0.03 -0.02 -0.12 -0.04 4.32 4.17 3ippB1 THR 57 HG23 0.03 0.05 -0.05 -0.04 1.22 1.21 3ippB1 LEU 58 H 0.09 0.15 0.06 -0.55 8.37 8.12 3ippB1 LEU 58 HA 0.15 0.01 0.25 -0.75 4.35 4.00 3ippB1 LEU 58 HB2 0.09 0.03 0.06 -0.04 1.64 1.78 3ippB1 LEU 58 HB3 0.07 0.02 0.03 -0.04 1.64 1.72 3ippB1 LEU 58 HG 0.10 -0.00 -0.06 -0.04 1.64 1.64 3ippB1 LEU 58 HD13 0.14 0.03 -0.35 -0.04 0.93 0.72 3ippB1 LEU 58 HD23 0.06 0.01 -0.08 -0.04 0.89 0.84 3ippB1 ASN 59 H 0.11 0.09 0.17 -0.55 8.53 8.36 3ippB1 ASN 59 HA 0.06 0.03 0.38 -0.75 4.76 4.47 3ippB1 ASN 59 HB2 0.04 0.17 -0.03 -0.04 2.88 3.02 3ippB1 ASN 59 HB3 0.03 -0.02 0.16 -0.04 2.79 2.93 3ippB1 ASN 59 HD21 0.06 -0.00 -0.01 -0.04 7.03 7.03 3ippB1 ASN 59 HD22 0.06 0.05 0.06 -0.04 7.74 7.86 3ippB1 GLY 60 H 0.06 0.55 -0.51 -0.55 8.43 7.98 3ippB1 GLY 60 HA2 0.01 0.08 0.60 -0.51 4.01 4.19 3ippB1 GLY 60 HA3 0.02 -0.10 0.29 -0.51 4.01 3.71 3ippB1 PRO 61 HA -0.03 0.02 0.40 -0.51 4.44 4.31 3ippB1 PRO 61 HB2 -0.03 -0.04 0.00 -0.04 2.28 2.17 3ippB1 PRO 61 HB3 -0.05 0.02 0.02 -0.04 2.02 1.97 3ippB1 PRO 61 HG2 -0.03 -0.00 0.09 -0.04 2.03 2.04 3ippB1 PRO 61 HG3 -0.03 0.12 0.11 -0.04 2.03 2.18 3ippB1 PRO 61 HD2 -0.02 -0.02 0.18 -0.04 3.68 3.79 3ippB1 PRO 61 HD3 -0.01 0.14 0.21 -0.04 3.65 3.95 3ippB1 SER 62 H -0.07 0.16 0.10 -0.55 8.46 8.10 3ippB1 SER 62 HA -0.12 0.22 0.85 -0.75 4.49 4.68 3ippB1 SER 62 HB2 -0.10 0.02 -0.07 -0.04 3.95 3.76 3ippB1 SER 62 HB3 -0.09 -0.07 0.13 -0.04 3.93 3.85 3ippB1 GLY 63 H -0.09 0.22 -0.00 -0.55 8.43 8.01 3ippB1 GLY 63 HA2 -0.17 0.13 0.25 -0.51 4.01 3.71 3ippB1 GLY 63 HA3 -0.23 0.25 0.80 -0.51 4.01 4.31 3ippB1 HIS 64 H -0.67 0.74 0.40 -0.55 8.41 8.33 3ippB1 HIS 64 HA 0.10 0.05 0.82 -0.75 4.63 4.84 3ippB1 HIS 64 HB2 0.17 -0.07 0.06 -0.04 3.26 3.38 3ippB1 HIS 64 HB3 -0.03 -0.07 -0.03 -0.04 3.20 3.02 3ippB1 HIS 64 HD2 -0.01 0.25 -0.15 -0.04 6.97 7.01 3ippB1 HIS 64 HE1 -0.38 -0.11 -0.14 -0.04 7.75 7.08 3ippB1 GLU 65 H 0.27 0.03 0.11 -0.55 8.60 8.46 3ippB1 GLU 65 HA -0.03 0.14 0.53 -0.75 4.29 4.18 3ippB1 GLU 65 HB2 0.13 -0.01 0.05 -0.04 2.09 2.22 3ippB1 GLU 65 HB3 0.01 0.06 0.06 -0.04 1.99 2.08 3ippB1 GLU 65 HG2 -0.32 -0.02 0.05 -0.04 2.34 2.01 3ippB1 GLU 65 HG3 -0.36 -0.04 0.03 -0.04 2.34 1.93 3ippB1 LEU 66 H 0.01 0.13 0.17 -0.55 8.37 8.13 3ippB1 LEU 66 HA 0.05 0.05 0.40 -0.75 4.35 4.10 3ippB1 LEU 66 HB2 -0.00 0.13 0.16 -0.04 1.64 1.89 3ippB1 LEU 66 HB3 0.02 -0.07 0.15 -0.04 1.64 1.70 3ippB1 LEU 66 HG 0.04 0.03 -0.26 -0.04 1.64 1.41 3ippB1 LEU 66 HD13 0.03 -0.01 0.04 -0.04 0.93 0.94 3ippB1 LEU 66 HD23 0.01 -0.00 -0.01 -0.04 0.89 0.85 3ippB1 ALA 67 H 0.15 0.13 0.20 -0.55 8.40 8.33 3ippB1 ALA 67 HA 0.11 -0.00 0.31 -0.75 4.34 4.01 3ippB1 ALA 67 HB3 0.06 0.04 -0.01 -0.04 1.41 1.46 3ippB1 ALA 68 H 0.23 0.47 -0.50 -0.55 8.40 8.05 3ippB1 ALA 68 HA 0.14 0.08 0.55 -0.75 4.34 4.36 3ippB1 ALA 68 HB3 0.31 -0.06 -0.05 -0.04 1.41 1.57 3ippB1 LEU 69 H 0.06 0.65 0.41 -0.55 8.37 8.95 3ippB1 LEU 69 HA -0.03 0.09 0.73 -0.75 4.35 4.39 3ippB1 LEU 69 HB2 0.11 -0.08 0.04 -0.04 1.64 1.67 3ippB1 LEU 69 HB3 0.00 -0.02 0.02 -0.04 1.64 1.60 3ippB1 LEU 69 HG 0.00 0.09 0.09 -0.04 1.64 1.78 3ippB1 LEU 69 HD13 -0.26 0.02 -0.07 -0.04 0.93 0.58 3ippB1 LEU 69 HD23 -0.06 0.03 -0.06 -0.04 0.89 0.75 3ippB1 ASN 70 H -0.17 0.20 0.14 -0.55 8.53 8.16 3ippB1 ASN 70 HA -0.45 0.30 1.07 -0.75 4.76 4.93 3ippB1 ASN 70 HB2 -2.19 0.03 -0.02 -0.04 2.88 0.67 3ippB1 ASN 70 HB3 -0.42 -0.06 0.17 -0.04 2.79 2.44 3ippB1 ASN 70 HD21 -0.43 0.24 -0.19 -0.04 7.03 6.61 3ippB1 ASN 70 HD22 -0.49 0.40 0.08 -0.04 7.74 7.70 3ippB1 LEU 71 H -0.44 0.58 -0.04 -0.55 8.37 7.93 3ippB1 LEU 71 HA -0.84 0.11 0.61 -0.75 4.35 3.47 3ippB1 LEU 71 HB2 -0.98 0.06 -0.12 -0.04 1.64 0.56 3ippB1 LEU 71 HB3 -0.48 -0.02 0.04 -0.04 1.64 1.14 3ippB1 LEU 71 HG -0.56 -0.03 -0.29 -0.04 1.64 0.72 3ippB1 LEU 71 HD13 -1.30 0.00 -0.04 -0.04 0.93 -0.45 3ippB1 LEU 71 HD23 -0.46 0.01 -0.10 -0.04 0.89 0.30 3ippB1 SER 72 H -2.67 0.10 -0.10 -0.55 8.46 5.25 3ippB1 SER 72 HA -0.71 0.23 0.20 -0.75 4.49 3.45 3ippB1 SER 72 HB2 -1.47 0.08 -0.03 -0.04 3.95 2.49 3ippB1 SER 72 HB3 -2.66 -0.08 0.02 -0.04 3.93 1.17 3ippB1 ALA 73 H -0.38 0.50 0.31 -0.55 8.40 8.28 3ippB1 ALA 73 HA -0.24 0.10 0.52 -0.75 4.34 3.97 3ippB1 ALA 73 HB3 -0.17 0.04 0.19 -0.04 1.41 1.43 3ippB1 SER 74 H -0.28 0.08 -0.26 -0.55 8.46 7.45 3ippB1 SER 74 HA -0.07 0.12 0.36 -0.75 4.49 4.15 3ippB1 SER 74 HB2 -0.01 0.08 0.08 -0.04 3.95 4.05 3ippB1 SER 74 HB3 -0.08 0.01 0.06 -0.04 3.93 3.88 3ippB1 TRP 75 H -0.27 0.55 -0.50 -0.55 7.97 7.20 3ippB1 TRP 75 HA -0.10 0.14 0.73 -0.75 4.62 4.64 3ippB1 TRP 75 HB2 -0.22 0.15 -0.05 -0.04 3.23 3.07 3ippB1 TRP 75 HB3 -0.15 -0.03 0.01 -0.04 3.23 3.02 3ippB1 TRP 75 HD1 -0.10 0.09 -0.25 -0.04 7.22 6.91 3ippB1 TRP 75 HE1 -0.11 -0.07 -0.03 -0.04 10.20 9.95 3ippB1 TRP 75 HE3 -0.42 0.10 -0.00 -0.04 7.59 7.23 3ippB1 TRP 75 HZ2 -0.14 -0.04 -0.02 -0.04 7.44 7.20 3ippB1 TRP 75 HZ3 -0.31 0.26 0.12 -0.04 7.13 7.16 3ippB1 TRP 75 HH2 -0.19 0.07 -0.01 -0.04 7.19 7.01 3ippB1 LEU 76 H -0.03 0.49 -0.16 -0.55 8.37 8.11 3ippB1 LEU 76 HA -0.02 0.03 0.10 -0.75 4.35 3.70 3ippB1 LEU 76 HB2 -0.06 0.05 0.10 -0.04 1.64 1.69 3ippB1 LEU 76 HB3 -0.06 0.02 0.01 -0.04 1.64 1.58 3ippB1 LEU 76 HG -0.15 0.02 0.11 -0.04 1.64 1.59 3ippB1 LEU 76 HD13 -0.11 0.00 -0.11 -0.04 0.93 0.67 3ippB1 LEU 76 HD23 -0.15 -0.01 -0.08 -0.04 0.89 0.61 3ippB1 ASP 77 H -0.01 0.14 -0.25 -0.55 8.40 7.74 3ippB1 ASP 77 HA -0.01 0.11 0.43 -0.75 4.63 4.40 3ippB1 ASP 77 HB2 -0.01 0.01 0.11 -0.04 2.71 2.78 3ippB1 ASP 77 HB3 -0.02 -0.02 0.06 -0.04 2.70 2.69 3ippB1 LYS 78 H 0.02 0.59 -0.49 -0.55 8.42 7.99 3ippB1 LYS 78 HA -0.01 0.18 0.91 -0.75 4.32 4.65 3ippB1 LYS 78 HB2 0.00 0.04 0.03 -0.04 1.87 1.90 3ippB1 LYS 78 HB3 -0.02 -0.04 0.18 -0.04 1.79 1.87 3ippB1 LYS 78 HG2 -0.00 0.02 -0.08 -0.04 1.46 1.35 3ippB1 LYS 78 HG3 0.01 -0.06 -0.21 -0.04 1.46 1.17 3ippB1 LYS 78 HD2 -0.02 0.08 -0.11 -0.04 1.69 1.59 3ippB1 LYS 78 HD3 -0.01 -0.02 0.03 -0.04 1.68 1.64 3ippB1 LYS 78 HE2 -0.00 -0.05 0.01 -0.04 2.99 2.91 3ippB1 LYS 78 HE3 -0.00 -0.00 -0.03 -0.04 2.99 2.92 3ippB1 MET 79 H -0.01 0.58 -0.21 -0.55 8.47 8.29 3ippB1 MET 79 HA -0.02 0.06 0.97 -0.75 4.52 4.78 3ippB1 MET 79 HB2 -0.02 0.06 0.07 -0.04 2.15 2.22 3ippB1 MET 79 HB3 -0.02 -0.04 -0.06 -0.04 2.03 1.86 3ippB1 MET 79 HG2 -0.04 -0.00 -0.12 -0.04 2.63 2.43 3ippB1 MET 79 HG3 0.01 0.08 -0.33 -0.04 2.56 2.28 3ippB1 MET 79 HE3 -0.17 -0.00 -0.14 -0.04 2.10 1.74 3ippB1 SER 80 H -0.01 0.10 0.10 -0.55 8.46 8.11 3ippB1 SER 80 HA -0.01 0.19 0.49 -0.75 4.49 4.41 3ippB1 SER 80 HB2 -0.00 0.02 0.17 -0.04 3.95 4.09 3ippB1 SER 80 HB3 -0.00 0.14 0.13 -0.04 3.93 4.16 3ippB1 THR 81 H -0.00 0.20 0.17 -0.55 8.28 8.10 3ippB1 THR 81 HA 0.00 0.16 0.48 -0.75 4.39 4.28 3ippB1 THR 81 HB 0.00 -0.08 0.13 -0.04 4.32 4.33 3ippB1 THR 81 HG23 0.00 0.03 -0.06 -0.04 1.22 1.16 3ippB1 GLU 82 H 0.01 0.04 -0.23 -0.55 8.60 7.87 3ippB1 GLU 82 HA 0.02 0.15 0.31 -0.75 4.29 4.02 3ippB1 GLU 82 HB2 0.00 0.03 0.07 -0.04 2.09 2.16 3ippB1 GLU 82 HB3 0.01 -0.07 0.06 -0.04 1.99 1.95 3ippB1 GLU 82 HG2 0.01 0.01 -0.16 -0.04 2.34 2.16 3ippB1 GLU 82 HG3 0.01 0.05 0.01 -0.04 2.34 2.36 3ippB1 GLN 83 H 0.02 0.01 -0.12 -0.55 8.47 7.82 3ippB1 GLN 83 HA 0.05 0.08 0.54 -0.75 4.36 4.27 3ippB1 GLN 83 HB2 0.01 -0.01 0.12 -0.04 2.15 2.23 3ippB1 GLN 83 HB3 0.02 0.06 0.05 -0.04 2.02 2.11 3ippB1 GLN 83 HG2 0.00 0.05 0.06 -0.04 2.40 2.47 3ippB1 GLN 83 HG3 0.01 -0.11 0.08 -0.04 2.39 2.33 3ippB1 GLN 83 HE21 -0.02 0.08 0.08 -0.04 6.97 7.07 3ippB1 GLN 83 HE22 -0.01 -0.02 0.05 -0.04 7.69 7.66 3ippB1 LEU 84 H 0.03 0.65 -0.23 -0.55 8.37 8.27 3ippB1 LEU 84 HA 0.11 0.01 0.42 -0.75 4.35 4.13 3ippB1 LEU 84 HB2 -0.00 0.03 -0.02 -0.04 1.64 1.61 3ippB1 LEU 84 HB3 0.03 0.12 0.08 -0.04 1.64 1.82 3ippB1 LEU 84 HG 0.07 0.03 -0.20 -0.04 1.64 1.50 3ippB1 LEU 84 HD13 -0.03 -0.03 -0.03 -0.04 0.93 0.80 3ippB1 LEU 84 HD23 -0.03 0.01 -0.12 -0.04 0.89 0.71 3ippB1 ASN 85 H 0.06 0.67 -0.04 -0.55 8.53 8.67 3ippB1 ASN 85 HA 0.08 0.06 0.43 -0.75 4.76 4.58 3ippB1 ASN 85 HB2 0.03 0.01 0.14 -0.04 2.88 3.02 3ippB1 ASN 85 HB3 0.03 -0.04 0.05 -0.04 2.79 2.79 3ippB1 ASN 85 HD21 0.01 0.00 -0.01 -0.04 7.03 6.99 3ippB1 ASN 85 HD22 0.01 -0.10 -0.06 -0.04 7.74 7.55 3ippB1 ALA 86 H 0.09 0.41 -0.36 -0.55 8.40 7.99 3ippB1 ALA 86 HA 0.03 0.02 0.39 -0.75 4.34 4.02 3ippB1 ALA 86 HB3 0.04 0.01 0.11 -0.04 1.41 1.53 3ippB1 TRP 87 H 0.29 0.46 -0.20 -0.55 7.97 7.97 3ippB1 TRP 87 HA 0.09 0.00 0.33 -0.75 4.62 4.29 3ippB1 TRP 87 HB2 0.05 0.00 0.10 -0.04 3.23 3.34 3ippB1 TRP 87 HB3 0.05 0.11 0.16 -0.04 3.23 3.51 3ippB1 TRP 87 HD1 0.09 -0.02 0.02 -0.04 7.22 7.27 3ippB1 TRP 87 HE1 -0.01 -0.03 0.04 -0.04 10.20 10.17 3ippB1 TRP 87 HE3 0.02 0.09 -0.31 -0.04 7.59 7.35 3ippB1 TRP 87 HZ2 -0.36 -0.02 -0.19 -0.04 7.44 6.83 3ippB1 TRP 87 HZ3 -0.06 0.03 -0.15 -0.04 7.13 6.91 3ippB1 TRP 87 HH2 -0.20 -0.04 -0.21 -0.04 7.19 6.70 3ippB1 ILE 88 H 0.32 0.56 -0.13 -0.55 8.25 8.45 3ippB1 ILE 88 HA 0.08 0.02 0.38 -0.75 4.18 3.91 3ippB1 ILE 88 HB 0.13 0.11 0.15 -0.04 1.89 2.24 3ippB1 ILE 88 HG12 0.25 -0.02 -0.04 -0.04 1.49 1.64 3ippB1 ILE 88 HG13 0.51 -0.07 -0.03 -0.04 1.21 1.59 3ippB1 ILE 88 HG23 0.06 -0.01 -0.10 -0.04 0.93 0.84 3ippB1 ILE 88 HD13 0.12 0.00 -0.14 -0.04 0.88 0.82 3ippB1 LYS 89 H 0.02 0.47 -0.17 -0.55 8.42 8.19 3ippB1 LYS 89 HA -0.05 0.04 0.35 -0.75 4.32 3.91 3ippB1 LYS 89 HB2 -0.01 0.04 0.11 -0.04 1.87 1.96 3ippB1 LYS 89 HB3 -0.03 0.05 0.15 -0.04 1.79 1.91 3ippB1 LYS 89 HG2 -0.05 -0.01 -0.10 -0.04 1.46 1.25 3ippB1 LYS 89 HG3 -0.05 -0.02 0.02 -0.04 1.46 1.36 3ippB1 LYS 89 HD2 -0.02 -0.01 -0.00 -0.04 1.69 1.61 3ippB1 LYS 89 HD3 -0.02 0.02 0.00 -0.04 1.68 1.64 3ippB1 LYS 89 HE2 -0.03 -0.00 -0.03 -0.04 2.99 2.89 3ippB1 LYS 89 HE3 -0.03 -0.01 -0.02 -0.04 2.99 2.89 3ippB1 GLN 90 H -0.14 0.65 -0.09 -0.55 8.47 8.34 3ippB1 GLN 90 HA -0.23 -0.01 0.37 -0.75 4.36 3.74 3ippB1 GLN 90 HB2 -0.20 -0.03 0.13 -0.04 2.15 2.00 3ippB1 GLN 90 HB3 -0.37 0.08 0.15 -0.04 2.02 1.84 3ippB1 GLN 90 HG2 -0.47 -0.06 -0.03 -0.04 2.40 1.80 3ippB1 GLN 90 HG3 -0.70 0.03 -0.09 -0.04 2.39 1.59 3ippB1 GLN 90 HE21 -0.17 -0.04 0.02 -0.04 6.97 6.74 3ippB1 GLN 90 HE22 -0.24 0.06 0.10 -0.04 7.69 7.57 3ippB1 HIS 91 H -0.32 0.32 -0.57 -0.55 8.41 7.30 3ippB1 HIS 91 HA -0.29 0.12 0.72 -0.75 4.63 4.42 3ippB1 HIS 91 HB2 -0.81 0.05 0.02 -0.04 3.26 2.49 3ippB1 HIS 91 HB3 -0.46 -0.05 0.09 -0.04 3.20 2.75 3ippB1 HIS 91 HD2 -0.30 0.02 -0.02 -0.04 6.97 6.62 3ippB1 HIS 91 HE1 -0.53 -0.07 -0.01 -0.04 7.75 7.09 3ippB1 ASN 92 H -0.15 0.37 -0.43 -0.55 8.53 7.77 3ippB1 ASN 92 HA -0.07 0.02 0.29 -0.75 4.76 4.25 3ippB1 ASN 92 HB2 -0.09 -0.00 -0.32 -0.04 2.88 2.43 3ippB1 ASN 92 HB3 -0.06 0.11 0.05 -0.04 2.79 2.86 3ippB1 ASN 92 HD21 -0.03 -0.07 0.01 -0.04 7.03 6.91 3ippB1 ASN 92 HD22 -0.03 0.01 0.15 -0.04 7.74 7.83 3ippB1 LEU 93 H -0.05 0.44 -0.10 -0.55 8.37 8.11 3ippB1 LEU 93 HA -0.01 0.16 0.75 -0.75 4.35 4.50 3ippB1 LEU 93 HB2 0.02 -0.06 0.08 -0.04 1.64 1.64 3ippB1 LEU 93 HB3 0.03 0.02 -0.09 -0.04 1.64 1.56 3ippB1 LEU 93 HG -0.06 0.10 -0.23 -0.04 1.64 1.40 3ippB1 LEU 93 HD13 0.12 -0.04 -0.09 -0.04 0.93 0.89 3ippB1 LEU 93 HD23 0.03 0.00 -0.10 -0.04 0.89 0.79 3ippB1 LYS 94 H -0.00 0.26 0.01 -0.55 8.42 8.13 3ippB1 LYS 94 HA -0.00 0.06 0.54 -0.75 4.32 4.17 3ippB1 LYS 94 HB2 0.01 -0.10 0.01 -0.04 1.87 1.74 3ippB1 LYS 94 HB3 -0.00 0.05 0.06 -0.04 1.79 1.86 3ippB1 LYS 94 HG2 0.01 -0.05 0.13 -0.04 1.46 1.52 3ippB1 LYS 94 HG3 0.01 -0.02 0.05 -0.04 1.46 1.46 3ippB1 LYS 94 HD2 -0.01 -0.03 0.04 -0.04 1.69 1.65 3ippB1 LYS 94 HD3 -0.01 0.09 0.04 -0.04 1.68 1.75 3ippB1 LYS 94 HE2 -0.01 0.17 0.12 -0.04 2.99 3.23 3ippB1 LYS 94 HE3 0.01 -0.05 0.09 -0.04 2.99 3.00 3ippB1 THR 95 H 0.00 0.12 0.12 -0.55 8.28 7.98 3ippB1 THR 95 HA 0.00 0.09 0.18 -0.75 4.39 3.92 3ippB1 THR 95 HB -0.00 -0.08 0.08 -0.04 4.32 4.27 3ippB1 THR 95 HG23 -0.02 0.03 -0.03 -0.04 1.22 1.16 3ippB1 ASP 96 H 0.03 -0.05 -0.32 -0.55 8.40 7.50 3ippB1 ASP 96 HA 0.07 0.14 0.78 -0.75 4.63 4.86 3ippB1 ASP 96 HB2 0.05 -0.04 0.02 -0.04 2.71 2.70 3ippB1 ASP 96 HB3 0.14 0.01 -0.01 -0.04 2.70 2.81 3ippB1 ALA 97 H 0.05 0.04 -0.04 -0.55 8.40 7.91 3ippB1 ALA 97 HA 0.04 0.06 0.40 -0.75 4.34 4.08 3ippB1 ALA 97 HB3 0.02 0.02 0.11 -0.04 1.41 1.52 3ippB1 PRO 98 HA 0.08 0.17 0.44 -0.51 4.44 4.61 3ippB1 PRO 98 HB2 0.02 -0.07 -0.07 -0.04 2.28 2.12 3ippB1 PRO 98 HB3 -0.01 -0.00 0.06 -0.04 2.02 2.03 3ippB1 PRO 98 HG2 0.00 -0.00 0.05 -0.04 2.03 2.04 3ippB1 PRO 98 HG3 -0.03 0.00 0.09 -0.04 2.03 2.05 3ippB1 PRO 98 HD2 0.01 0.18 0.11 -0.04 3.68 3.94 3ippB1 PRO 98 HD3 -0.01 0.08 0.23 -0.04 3.65 3.92 3ippB1 VAL 99 H 0.06 0.63 0.39 -0.55 8.24 8.78 3ippB1 VAL 99 HA 0.04 0.24 0.96 -0.75 4.13 4.62 3ippB1 VAL 99 HB 0.05 0.06 0.15 -0.04 2.12 2.34 3ippB1 VAL 99 HG13 0.05 -0.04 -0.18 -0.04 0.97 0.75 3ippB1 VAL 99 HG23 0.05 0.05 -0.15 -0.04 0.95 0.85 3ippB1 ALA 100 H 0.05 0.72 0.34 -0.55 8.40 8.97 3ippB1 ALA 100 HA 0.04 0.33 0.87 -0.75 4.34 4.82 3ippB1 ALA 100 HB3 0.06 -0.03 -0.26 -0.04 1.41 1.14 3ippB1 LEU 101 H 0.04 0.64 0.37 -0.55 8.37 8.86 3ippB1 LEU 101 HA -0.03 0.28 0.95 -0.75 4.35 4.81 3ippB1 LEU 101 HB2 -0.01 -0.06 0.06 -0.04 1.64 1.59 3ippB1 LEU 101 HB3 -0.07 -0.00 0.13 -0.04 1.64 1.65 3ippB1 LEU 101 HG -0.00 0.15 -0.01 -0.04 1.64 1.74 3ippB1 LEU 101 HD13 -0.05 -0.01 -0.06 -0.04 0.93 0.77 3ippB1 LEU 101 HD23 -0.03 -0.01 -0.22 -0.04 0.89 0.59 3ippB1 TYR 102 H -0.22 0.62 0.49 -0.55 8.29 8.62 3ippB1 TYR 102 HA -0.03 0.14 0.45 -0.75 4.56 4.37 3ippB1 TYR 102 HB2 -0.02 0.00 0.22 -0.04 3.06 3.22 3ippB1 TYR 102 HB3 -0.01 0.09 0.07 -0.04 2.98 3.09 3ippB1 TYR 102 HD2 0.00 0.03 -0.19 -0.04 7.15 6.95 3ippB1 TYR 102 HE2 0.06 0.07 -0.09 -0.04 6.85 6.85 3ippB1 GLY 103 H 0.15 0.31 0.20 -0.55 8.43 8.55 3ippB1 GLY 103 HA2 0.05 0.07 0.31 -0.51 4.01 3.92 3ippB1 GLY 103 HA3 -0.07 0.06 0.81 -0.51 4.01 4.30 3ippB1 ASN 104 H -0.07 0.09 0.12 -0.55 8.53 8.13 3ippB1 ASN 104 HA -0.03 0.26 0.73 -0.75 4.76 4.96 3ippB1 ASN 104 HB2 -0.05 0.04 0.18 -0.04 2.88 3.01 3ippB1 ASN 104 HB3 -0.07 0.10 0.12 -0.04 2.79 2.90 3ippB1 ASN 104 HD21 -0.07 0.04 0.05 -0.04 7.03 7.01 3ippB1 ASN 104 HD22 -0.08 0.11 0.07 -0.04 7.74 7.79 3ippB1 ASP 105 H -0.03 0.22 0.18 -0.55 8.40 8.21 3ippB1 ASP 105 HA -0.03 0.11 0.31 -0.75 4.63 4.27 3ippB1 ASP 105 HB2 -0.03 -0.02 0.11 -0.04 2.71 2.74 3ippB1 ASP 105 HB3 -0.02 0.07 0.00 -0.04 2.70 2.71 3ippB1 LYS 106 H -0.04 0.08 -0.11 -0.55 8.42 7.79 3ippB1 LYS 106 HA -0.04 0.16 0.55 -0.75 4.32 4.23 3ippB1 LYS 106 HB2 -0.04 0.08 0.08 -0.04 1.87 1.95 3ippB1 LYS 106 HB3 -0.05 -0.06 0.10 -0.04 1.79 1.75 3ippB1 LYS 106 HG2 -0.06 -0.03 -0.16 -0.04 1.46 1.17 3ippB1 LYS 106 HG3 -0.05 0.01 -0.05 -0.04 1.46 1.33 3ippB1 LYS 106 HD2 -0.04 0.04 -0.00 -0.04 1.69 1.65 3ippB1 LYS 106 HD3 -0.04 0.00 -0.00 -0.04 1.68 1.60 3ippB1 LYS 106 HE2 -0.05 -0.02 -0.04 -0.04 2.99 2.84 3ippB1 LYS 106 HE3 -0.04 0.00 -0.04 -0.04 2.99 2.86 3ippB1 ASP 107 H -0.07 0.05 -0.17 -0.55 8.40 7.65 3ippB1 ASP 107 HA -0.11 0.06 0.47 -0.75 4.63 4.29 3ippB1 ASP 107 HB2 -0.11 0.02 0.09 -0.04 2.71 2.67 3ippB1 ASP 107 HB3 -0.16 0.09 0.07 -0.04 2.70 2.66 3ippB1 VAL 108 H -0.07 0.69 -0.17 -0.55 8.24 8.14 3ippB1 VAL 108 HA -0.10 0.03 0.27 -0.75 4.13 3.58 3ippB1 VAL 108 HB -0.04 0.04 -0.07 -0.04 2.12 2.01 3ippB1 VAL 108 HG13 -0.03 0.01 -0.25 -0.04 0.97 0.67 3ippB1 VAL 108 HG23 -0.04 -0.01 -0.38 -0.04 0.95 0.47 3ippB1 ASP 109 H -0.05 0.45 -0.27 -0.55 8.40 7.98 3ippB1 ASP 109 HA -0.04 0.06 0.41 -0.75 4.63 4.31 3ippB1 ASP 109 HB2 -0.03 0.05 0.12 -0.04 2.71 2.81 3ippB1 ASP 109 HB3 -0.04 0.04 0.10 -0.04 2.70 2.77 3ippB1 ALA 110 H -0.07 0.46 -0.11 -0.55 8.40 8.13 3ippB1 ALA 110 HA -0.06 0.06 0.54 -0.75 4.34 4.13 3ippB1 ALA 110 HB3 -0.08 -0.00 0.12 -0.04 1.41 1.41 3ippB1 VAL 111 H -0.11 0.53 -0.08 -0.55 8.24 8.03 3ippB1 VAL 111 HA -0.13 0.01 0.43 -0.75 4.13 3.68 3ippB1 VAL 111 HB -0.13 0.10 0.15 -0.04 2.12 2.19 3ippB1 VAL 111 HG13 -0.15 -0.00 -0.17 -0.04 0.97 0.60 3ippB1 VAL 111 HG23 -0.24 0.01 0.03 -0.04 0.95 0.71 3ippB1 LYS 112 H -0.07 0.51 -0.19 -0.55 8.42 8.12 3ippB1 LYS 112 HA -0.04 0.02 0.30 -0.75 4.32 3.84 3ippB1 LYS 112 HB2 -0.03 -0.02 0.04 -0.04 1.87 1.82 3ippB1 LYS 112 HB3 -0.04 0.07 0.17 -0.04 1.79 1.95 3ippB1 LYS 112 HG2 -0.02 0.03 -0.39 -0.04 1.46 1.03 3ippB1 LYS 112 HG3 -0.02 0.01 -0.07 -0.04 1.46 1.33 3ippB1 LYS 112 HD2 -0.01 -0.03 -0.09 -0.04 1.69 1.52 3ippB1 LYS 112 HD3 -0.02 -0.03 -0.04 -0.04 1.68 1.55 3ippB1 LYS 112 HE2 -0.01 0.05 -0.12 -0.04 2.99 2.86 3ippB1 LYS 112 HE3 -0.01 -0.06 -0.07 -0.04 2.99 2.82 3ippB1 THR 113 H -0.04 0.49 -0.16 -0.55 8.28 8.02 3ippB1 THR 113 HA -0.03 0.06 0.44 -0.75 4.39 4.11 3ippB1 THR 113 HB -0.04 0.08 0.15 -0.04 4.32 4.46 3ippB1 THR 113 HG23 -0.02 -0.01 -0.08 -0.04 1.22 1.06 3ippB1 ARG 114 H -0.05 0.47 -0.14 -0.55 8.46 8.18 3ippB1 ARG 114 HA -0.03 0.01 0.44 -0.75 4.34 4.00 3ippB1 ARG 114 HB2 -0.08 0.08 0.15 -0.04 1.90 2.01 3ippB1 ARG 114 HB3 -0.05 -0.04 -0.01 -0.04 1.80 1.65 3ippB1 ARG 114 HG2 -0.05 0.07 0.06 -0.04 1.67 1.70 3ippB1 ARG 114 HG3 -0.07 -0.06 0.00 -0.04 1.67 1.50 3ippB1 ARG 114 HD2 -0.03 -0.01 -0.00 -0.04 3.22 3.13 3ippB1 ARG 114 HD3 -0.04 -0.01 -0.02 -0.04 3.22 3.11 3ippB1 LEU 115 H -0.04 0.68 -0.10 -0.55 8.37 8.36 3ippB1 LEU 115 HA 0.00 -0.02 0.36 -0.75 4.35 3.94 3ippB1 LEU 115 HB2 -0.03 0.17 0.11 -0.04 1.64 1.85 3ippB1 LEU 115 HB3 0.00 0.02 -0.07 -0.04 1.64 1.55 3ippB1 LEU 115 HG 0.05 0.01 -0.07 -0.04 1.64 1.59 3ippB1 LEU 115 HD13 0.06 -0.02 -0.09 -0.04 0.93 0.84 3ippB1 LEU 115 HD23 -0.02 -0.00 -0.15 -0.04 0.89 0.68 3ippB1 GLN 116 H -0.03 0.57 -0.18 -0.55 8.47 8.29 3ippB1 GLN 116 HA -0.03 0.22 0.49 -0.75 4.36 4.29 3ippB1 GLN 116 HB2 -0.03 0.04 0.17 -0.04 2.15 2.29 3ippB1 GLN 116 HB3 -0.04 -0.03 0.02 -0.04 2.02 1.93 3ippB1 GLN 116 HG2 -0.04 0.10 0.05 -0.04 2.40 2.47 3ippB1 GLN 116 HG3 -0.03 -0.01 0.02 -0.04 2.39 2.33 3ippB1 GLN 116 HE21 -0.01 -0.10 -0.10 -0.04 6.97 6.71 3ippB1 GLN 116 HE22 -0.02 0.02 -0.01 -0.04 7.69 7.63 3ippB1 LYS 117 H -0.03 0.39 -0.23 -0.55 8.42 7.99 3ippB1 LYS 117 HA -0.03 0.05 0.47 -0.75 4.32 4.06 3ippB1 LYS 117 HB2 -0.03 -0.04 0.09 -0.04 1.87 1.86 3ippB1 LYS 117 HB3 -0.03 0.10 0.21 -0.04 1.79 2.04 3ippB1 LYS 117 HG2 -0.02 -0.02 -0.04 -0.04 1.46 1.35 3ippB1 LYS 117 HG3 -0.02 -0.03 0.05 -0.04 1.46 1.43 3ippB1 LYS 117 HD2 -0.02 -0.02 0.02 -0.04 1.69 1.63 3ippB1 LYS 117 HD3 -0.02 0.02 -0.00 -0.04 1.68 1.63 3ippB1 LYS 117 HE2 -0.02 -0.03 -0.00 -0.04 2.99 2.90 3ippB1 LYS 117 HE3 -0.02 -0.00 -0.00 -0.04 2.99 2.93 3ippB1 ALA 118 H -0.01 0.46 -0.17 -0.55 8.40 8.14 3ippB1 ALA 118 HA -0.00 -0.01 0.52 -0.75 4.34 4.09 3ippB1 ALA 118 HB3 0.02 -0.01 0.08 -0.04 1.41 1.45 3ippB1 GLY 119 H -0.02 0.36 -0.73 -0.55 8.43 7.49 3ippB1 GLY 119 HA2 -0.04 0.03 0.26 -0.51 4.01 3.74 3ippB1 GLY 119 HA3 -0.02 0.09 0.80 -0.51 4.01 4.36 3ippB1 LEU 120 H -0.01 0.34 -0.04 -0.55 8.37 8.11 3ippB1 LEU 120 HA -0.02 0.14 0.57 -0.75 4.35 4.29 3ippB1 LEU 120 HB2 0.01 -0.01 -0.08 -0.04 1.64 1.51 3ippB1 LEU 120 HB3 0.01 -0.04 -0.15 -0.04 1.64 1.41 3ippB1 LEU 120 HG 0.03 0.09 -0.16 -0.04 1.64 1.56 3ippB1 LEU 120 HD13 0.03 0.00 -0.17 -0.04 0.93 0.75 3ippB1 LEU 120 HD23 0.06 -0.03 -0.11 -0.04 0.89 0.76 3ippB1 THR 121 H -0.06 0.40 0.24 -0.55 8.28 8.31 3ippB1 THR 121 HA -0.11 0.27 1.04 -0.75 4.39 4.83 3ippB1 THR 121 HB -0.34 -0.06 0.02 -0.04 4.32 3.90 3ippB1 THR 121 HG23 -0.11 0.04 -0.16 -0.04 1.22 0.96 3ippB1 HIS 122 H -0.01 0.23 -0.02 -0.55 8.41 8.08 3ippB1 HIS 122 HA 0.00 0.15 0.95 -0.75 4.63 4.98 3ippB1 HIS 122 HB2 0.00 0.21 0.04 -0.04 3.26 3.48 3ippB1 HIS 122 HB3 0.00 -0.11 0.08 -0.04 3.20 3.13 3ippB1 HIS 122 HD2 0.00 -0.04 0.02 -0.04 6.97 6.90 3ippB1 HIS 122 HE1 -0.00 -0.06 -0.03 -0.04 7.75 7.61 3ippB1 ILE 123 H 0.03 0.28 -0.13 -0.55 8.25 7.88 3ippB1 ILE 123 HA 0.04 0.31 1.06 -0.75 4.18 4.84 3ippB1 ILE 123 HB 0.00 -0.01 0.08 -0.04 1.89 1.92 3ippB1 ILE 123 HG12 0.02 0.05 -0.35 -0.04 1.49 1.17 3ippB1 ILE 123 HG13 -0.01 0.04 -0.44 -0.04 1.21 0.76 3ippB1 ILE 123 HG23 0.00 -0.02 -0.15 -0.04 0.93 0.72 3ippB1 ILE 123 HD13 -0.01 0.01 -0.18 -0.04 0.88 0.65 3ippB1 SER 124 H 0.04 0.75 0.28 -0.55 8.46 8.99 3ippB1 SER 124 HA 0.03 0.21 0.81 -0.75 4.49 4.78 3ippB1 SER 124 HB2 0.03 -0.01 -0.08 -0.04 3.95 3.85 3ippB1 SER 124 HB3 0.02 -0.06 0.01 -0.04 3.93 3.87 3ippB1 ILE 125 H 0.02 0.21 0.15 -0.55 8.25 8.08 3ippB1 ILE 125 HA 0.03 0.16 0.84 -0.75 4.18 4.45 3ippB1 ILE 125 HB 0.01 -0.05 0.13 -0.04 1.89 1.94 3ippB1 ILE 125 HG12 0.01 0.03 -0.03 -0.04 1.49 1.45 3ippB1 ILE 125 HG13 0.01 0.01 -0.01 -0.04 1.21 1.17 3ippB1 ILE 125 HG23 0.02 -0.00 -0.16 -0.04 0.93 0.76 3ippB1 ILE 125 HD13 0.01 0.01 -0.10 -0.04 0.88 0.76 3ippB1 LEU 126 H 0.09 0.91 0.23 -0.55 8.37 9.05 3ippB1 LEU 126 HA 0.03 0.26 0.83 -0.75 4.35 4.71 3ippB1 LEU 126 HB2 0.13 0.05 -0.15 -0.04 1.64 1.63 3ippB1 LEU 126 HB3 0.15 -0.00 0.04 -0.04 1.64 1.78 3ippB1 LEU 126 HG -0.04 -0.22 -0.18 -0.04 1.64 1.16 3ippB1 LEU 126 HD13 0.02 0.08 -0.20 -0.04 0.93 0.79 3ippB1 LEU 126 HD23 -0.08 -0.00 -0.07 -0.04 0.89 0.69 3ippB1 SER 127 H 0.00 0.52 0.15 -0.55 8.46 8.59 3ippB1 SER 127 HA -0.00 0.09 0.03 -0.75 4.49 3.85 3ippB1 SER 127 HB2 -0.01 0.04 -0.00 -0.04 3.95 3.94 3ippB1 SER 127 HB3 -0.00 0.01 -0.03 -0.04 3.93 3.88 3ippB1 ASP 128 H -0.04 0.01 -0.22 -0.55 8.40 7.61 3ippB1 ASP 128 HA -0.04 0.36 0.99 -0.75 4.63 5.18 3ippB1 ASP 128 HB2 -0.04 0.06 0.16 -0.04 2.71 2.84 3ippB1 ASP 128 HB3 -0.03 0.05 -0.02 -0.04 2.70 2.65 3ippB1 ALA 129 H -0.09 0.47 -0.21 -0.55 8.40 8.02 3ippB1 ALA 129 HA -0.29 -0.05 0.41 -0.75 4.34 3.66 3ippB1 ALA 129 HB3 -0.50 0.01 0.09 -0.04 1.41 0.98 3ippB1 LEU 130 H -0.26 0.11 0.13 -0.55 8.37 7.80 3ippB1 LEU 130 HA -0.13 0.05 0.22 -0.75 4.35 3.73 3ippB1 LEU 130 HB2 -0.09 0.20 -0.13 -0.04 1.64 1.58 3ippB1 LEU 130 HB3 -0.07 0.03 0.08 -0.04 1.64 1.64 3ippB1 LEU 130 HG -0.24 -0.13 -0.32 -0.04 1.64 0.91 3ippB1 LEU 130 HD13 0.04 0.00 -0.08 -0.04 0.93 0.85 3ippB1 LEU 130 HD23 -0.07 0.01 -0.06 -0.04 0.89 0.73 3ippB1 SER 131 H -0.09 0.37 -0.60 -0.55 8.46 7.59 3ippB1 SER 131 HA -0.05 0.14 0.55 -0.75 4.49 4.38 3ippB1 SER 131 HB2 -0.04 -0.03 0.10 -0.04 3.95 3.94 3ippB1 SER 131 HB3 -0.05 0.02 -0.00 -0.04 3.93 3.86 3ippB1 GLU 132 H -0.07 0.03 -0.54 -0.55 8.60 7.47 3ippB1 GLU 132 HA -0.04 0.26 0.84 -0.75 4.29 4.60 3ippB1 GLU 132 HB2 -0.05 -0.05 -0.09 -0.04 2.09 1.86 3ippB1 GLU 132 HB3 -0.05 -0.08 0.11 -0.04 1.99 1.93 3ippB1 GLU 132 HG2 -0.03 0.15 0.05 -0.04 2.34 2.47 3ippB1 GLU 132 HG3 -0.03 -0.02 -0.05 -0.04 2.34 2.20 3ippB1 PRO 133 HA -0.05 0.05 0.32 -0.51 4.44 4.24 3ippB1 PRO 133 HB2 -0.03 0.02 0.04 -0.04 2.28 2.28 3ippB1 PRO 133 HB3 -0.03 0.07 0.04 -0.04 2.02 2.06 3ippB1 PRO 133 HG2 -0.02 0.08 0.02 -0.04 2.03 2.07 3ippB1 PRO 133 HG3 -0.03 0.05 0.01 -0.04 2.03 2.02 3ippB1 PRO 133 HD2 -0.03 0.11 0.12 -0.04 3.68 3.84 3ippB1 PRO 133 HD3 -0.03 0.21 -0.24 -0.04 3.65 3.54 3ippB1 SER 134 H -0.03 0.07 -0.32 -0.55 8.46 7.62 3ippB1 SER 134 HA -0.03 0.13 0.10 -0.75 4.49 3.94 3ippB1 SER 134 HB2 -0.02 0.05 0.08 -0.04 3.95 4.01 3ippB1 SER 134 HB3 -0.02 -0.02 0.06 -0.04 3.93 3.91 3ippB1 ARG 135 H -0.05 0.29 -0.43 -0.55 8.46 7.72 3ippB1 ARG 135 HA -0.04 0.20 0.75 -0.75 4.34 4.49 3ippB1 ARG 135 HB2 -0.03 -0.02 0.13 -0.04 1.90 1.93 3ippB1 ARG 135 HB3 -0.03 -0.06 -0.00 -0.04 1.80 1.66 3ippB1 ARG 135 HG2 -0.06 0.26 -0.05 -0.04 1.67 1.78 3ippB1 ARG 135 HG3 -0.05 -0.09 -0.13 -0.04 1.67 1.36 3ippB1 ARG 135 HD2 -0.03 -0.02 -0.01 -0.04 3.22 3.12 3ippB1 ARG 135 HD3 -0.04 -0.00 -0.01 -0.04 3.22 3.12 3ippB1 LEU 136 H -0.07 0.44 -0.19 -0.55 8.37 8.00 3ippB1 LEU 136 HA -0.12 0.02 0.52 -0.75 4.35 4.01 3ippB1 LEU 136 HB2 -0.11 0.15 0.02 -0.04 1.64 1.66 3ippB1 LEU 136 HB3 -0.16 0.01 -0.24 -0.04 1.64 1.21 3ippB1 LEU 136 HG -0.08 0.03 -0.12 -0.04 1.64 1.43 3ippB1 LEU 136 HD13 -0.07 -0.01 -0.25 -0.04 0.93 0.55 3ippB1 LEU 136 HD23 -0.10 -0.07 -0.40 -0.04 0.89 0.29 3ippB1 GLN 137 H -0.36 0.63 0.34 -0.55 8.47 8.54 3ippB1 GLN 137 HA -0.17 0.20 0.91 -0.75 4.36 4.54 3ippB1 GLN 137 HB2 -0.53 -0.06 0.00 -0.04 2.15 1.52 3ippB1 GLN 137 HB3 -0.16 0.01 0.04 -0.04 2.02 1.88 3ippB1 GLN 137 HG2 -0.12 0.03 -0.10 -0.04 2.40 2.17 3ippB1 GLN 137 HG3 -0.04 -0.15 0.01 -0.04 2.39 2.17 3ippB1 GLN 137 HE21 -0.03 0.01 0.02 -0.04 6.97 6.93 3ippB1 GLN 137 HE22 -0.03 -0.03 0.03 -0.04 7.69 7.62 3ippB1 LYS 138 H -0.14 0.30 0.19 -0.55 8.42 8.22 3ippB1 LYS 138 HA -0.20 0.10 0.68 -0.75 4.32 4.14 3ippB1 LYS 138 HB2 -0.12 0.13 0.13 -0.04 1.87 1.97 3ippB1 LYS 138 HB3 -0.21 0.05 -0.36 -0.04 1.79 1.23 3ippB1 LYS 138 HG2 -0.09 -0.07 -0.12 -0.04 1.46 1.14 3ippB1 LYS 138 HG3 -0.01 0.03 -0.46 -0.04 1.46 0.99 3ippB1 LYS 138 HD2 0.10 -0.01 -0.09 -0.04 1.69 1.65 3ippB1 LYS 138 HD3 -0.09 0.07 -0.14 -0.04 1.68 1.48 3ippB1 LYS 138 HE2 0.02 -0.04 -0.04 -0.04 2.99 2.89 3ippB1 LYS 138 HE3 -0.02 -0.03 -0.07 -0.04 2.99 2.83 3ippB1 LEU 139 H 0.03 0.70 0.35 -0.55 8.37 8.91 3ippB1 LEU 139 HA 0.07 0.10 0.71 -0.75 4.35 4.48 3ippB1 LEU 139 HB2 0.13 -0.10 0.14 -0.04 1.64 1.77 3ippB1 LEU 139 HB3 0.09 0.21 -0.08 -0.04 1.64 1.82 3ippB1 LEU 139 HG 0.09 -0.04 0.15 -0.04 1.64 1.80 3ippB1 LEU 139 HD13 0.10 -0.01 -0.03 -0.04 0.93 0.95 3ippB1 LEU 139 HD23 0.08 -0.00 -0.01 -0.04 0.89 0.92 3ippB1 PRO 140 HA -0.11 0.04 0.38 -0.51 4.44 4.24 3ippB1 PRO 140 HB2 -0.09 0.05 -0.08 -0.04 2.28 2.11 3ippB1 PRO 140 HB3 -0.14 -0.02 0.10 -0.04 2.02 1.92 3ippB1 PRO 140 HG2 0.09 0.18 -0.02 -0.04 2.03 2.23 3ippB1 PRO 140 HG3 0.02 -0.02 0.09 -0.04 2.03 2.08 3ippB1 PRO 140 HD2 0.11 0.07 0.15 -0.04 3.68 3.96 3ippB1 PRO 140 HD3 0.06 0.17 0.33 -0.04 3.65 4.16 3ippB1 HIS 141 H 0.02 0.55 -0.28 -0.55 8.41 8.16 3ippB1 HIS 141 HA -0.29 0.17 0.83 -0.75 4.63 4.59 3ippB1 HIS 141 HB2 -0.04 0.10 0.19 -0.04 3.26 3.47 3ippB1 HIS 141 HB3 -0.13 -0.11 0.18 -0.04 3.20 3.09 3ippB1 HIS 141 HD2 0.02 0.05 -0.09 -0.04 6.97 6.91 3ippB1 HIS 141 HE1 -0.04 -0.05 -0.00 -0.04 7.75 7.62 3ippB1 PHE 142 H -0.20 0.49 -0.14 -0.55 8.34 7.94 3ippB1 PHE 142 HA -0.09 0.00 0.33 -0.75 4.62 4.10 3ippB1 PHE 142 HB2 -0.41 -0.10 -0.10 -0.04 3.15 2.50 3ippB1 PHE 142 HB3 -0.22 0.23 0.08 -0.04 3.06 3.12 3ippB1 PHE 142 HD2 -1.36 0.14 -0.21 -0.04 7.28 5.81 3ippB1 PHE 142 HE2 -0.72 -0.00 -0.12 -0.04 7.38 6.49 3ippB1 PHE 142 HZ -0.25 -0.04 -0.09 -0.04 7.32 6.90 3ippB1 GLU 143 H -1.18 0.12 -0.47 -0.55 8.60 6.53 3ippB1 GLU 143 HA -0.97 0.04 0.07 -0.75 4.29 2.67 3ippB1 GLU 143 HB2 -0.42 0.08 0.02 -0.04 2.09 1.73 3ippB1 GLU 143 HB3 -1.14 -0.04 -0.02 -0.04 1.99 0.74 3ippB1 GLU 143 HG2 -0.20 0.06 -0.34 -0.04 2.34 1.82 3ippB1 GLU 143 HG3 -0.22 0.02 -0.08 -0.04 2.34 2.02 3ippB1 GLN 144 H -0.13 0.50 -0.56 -0.55 8.47 7.73 3ippB1 GLN 144 HA -0.00 0.08 0.50 -0.75 4.36 4.18 3ippB1 GLN 144 HB2 0.03 0.08 0.09 -0.04 2.15 2.31 3ippB1 GLN 144 HB3 0.03 -0.06 0.15 -0.04 2.02 2.10 3ippB1 GLN 144 HG2 -0.03 0.04 0.03 -0.04 2.40 2.40 3ippB1 GLN 144 HG3 -0.06 -0.08 -0.01 -0.04 2.39 2.20 3ippB1 GLN 144 HE21 -0.29 0.03 -0.04 -0.04 6.97 6.64 3ippB1 GLN 144 HE22 -0.21 -0.03 0.00 -0.04 7.69 7.41 3ippB1 LEU 145 H 0.16 0.67 -0.20 -0.55 8.37 8.45 3ippB1 LEU 145 HA 0.15 0.17 1.04 -0.75 4.35 4.97 3ippB1 LEU 145 HB2 0.25 0.07 0.25 -0.04 1.64 2.18 3ippB1 LEU 145 HB3 0.20 -0.15 0.12 -0.04 1.64 1.76 3ippB1 LEU 145 HG 0.15 0.06 -0.14 -0.04 1.64 1.67 3ippB1 LEU 145 HD13 0.11 -0.03 0.01 -0.04 0.93 0.98 3ippB1 LEU 145 HD23 0.24 -0.01 -0.01 -0.04 0.89 1.06 3ippB1 VAL 146 H 0.07 0.56 0.20 -0.55 8.24 8.51 3ippB1 VAL 146 HA -0.27 0.17 0.50 -0.75 4.13 3.77 3ippB1 VAL 146 HB -0.66 -0.08 0.07 -0.04 2.12 1.41 3ippB1 VAL 146 HG13 -0.47 0.05 -0.14 -0.04 0.97 0.37 3ippB1 VAL 146 HG23 0.06 -0.00 -0.27 -0.04 0.95 0.69 3ippB1 TYR 147 H -0.70 0.22 0.22 -0.55 8.29 7.48 3ippB1 TYR 147 HA -0.07 0.23 0.80 -0.75 4.56 4.78 3ippB1 TYR 147 HB2 -0.20 -0.00 0.11 -0.04 3.06 2.93 3ippB1 TYR 147 HB3 -0.28 0.07 -0.12 -0.04 2.98 2.61 3ippB1 TYR 147 HD2 -0.86 0.04 -0.03 -0.04 7.15 6.27 3ippB1 TYR 147 HE2 -0.89 0.09 -0.06 -0.04 6.85 5.95 3ippB1 PRO 148 HA 0.34 0.09 0.21 -0.51 4.44 4.57 3ippB1 PRO 148 HB2 -0.21 0.03 0.06 -0.04 2.28 2.13 3ippB1 PRO 148 HB3 -0.23 0.08 0.02 -0.04 2.02 1.85 3ippB1 PRO 148 HG2 -0.04 0.24 -0.18 -0.04 2.03 2.01 3ippB1 PRO 148 HG3 0.13 0.02 -0.16 -0.04 2.03 1.98 3ippB1 PRO 148 HD2 0.10 0.07 0.16 -0.04 3.68 3.96 3ippB1 PRO 148 HD3 0.10 0.18 0.21 -0.04 3.65 4.10 3ippB1 GLN 149 H 0.02 0.12 -0.05 -0.55 8.47 8.01 3ippB1 GLN 149 HA -0.10 0.13 0.43 -0.75 4.36 4.07 3ippB1 GLN 149 HB2 0.01 0.03 0.10 -0.04 2.15 2.26 3ippB1 GLN 149 HB3 0.23 -0.04 0.06 -0.04 2.02 2.23 3ippB1 GLN 149 HG2 0.12 0.01 -0.00 -0.04 2.40 2.48 3ippB1 GLN 149 HG3 0.07 0.03 -0.09 -0.04 2.39 2.36 3ippB1 GLN 149 HE21 -0.12 0.07 0.01 -0.04 6.97 6.88 3ippB1 GLN 149 HE22 -0.08 -0.04 0.03 -0.04 7.69 7.55 3ippB1 TRP 150 H -0.66 0.08 -0.35 -0.55 7.97 6.50 3ippB1 TRP 150 HA -0.36 0.08 0.33 -0.75 4.62 3.92 3ippB1 TRP 150 HB2 -1.78 -0.04 0.06 -0.04 3.23 1.43 3ippB1 TRP 150 HB3 -1.23 0.06 0.15 -0.04 3.23 2.17 3ippB1 TRP 150 HD1 -0.18 -0.09 -0.01 -0.04 7.22 6.90 3ippB1 TRP 150 HE1 0.31 0.57 -0.08 -0.04 10.20 10.96 3ippB1 TRP 150 HE3 -0.31 -0.07 -0.17 -0.04 7.59 6.99 3ippB1 TRP 150 HZ2 0.07 0.25 -0.17 -0.04 7.44 7.55 3ippB1 TRP 150 HZ3 -0.19 -0.03 -0.13 -0.04 7.13 6.74 3ippB1 TRP 150 HH2 -0.13 0.03 -0.09 -0.04 7.19 6.96 3ippB1 LEU 151 H 0.12 0.28 -0.11 -0.55 8.37 8.12 3ippB1 LEU 151 HA -0.38 0.08 0.38 -0.75 4.35 3.68 3ippB1 LEU 151 HB2 0.32 -0.03 -0.01 -0.04 1.64 1.88 3ippB1 LEU 151 HB3 0.45 0.06 0.07 -0.04 1.64 2.18 3ippB1 LEU 151 HG 0.12 0.05 -0.27 -0.04 1.64 1.51 3ippB1 LEU 151 HD13 -0.08 0.00 -0.05 -0.04 0.93 0.76 3ippB1 LEU 151 HD23 -0.02 -0.02 -0.13 -0.04 0.89 0.68 3ippB1 HIS 152 H 0.23 0.61 -0.08 -0.55 8.41 8.63 3ippB1 HIS 152 HA 0.24 0.05 0.46 -0.75 4.63 4.62 3ippB1 HIS 152 HB2 -0.19 -0.00 0.09 -0.04 3.26 3.11 3ippB1 HIS 152 HB3 -0.12 0.06 0.13 -0.04 3.20 3.22 3ippB1 HIS 152 HD2 -0.09 -0.02 -0.08 -0.04 6.97 6.74 3ippB1 HIS 152 HE1 0.03 0.00 0.01 -0.04 7.75 7.74 3ippB1 ASP 153 H -0.12 0.54 -0.22 -0.55 8.40 8.05 3ippB1 ASP 153 HA -0.23 0.01 0.40 -0.75 4.63 4.06 3ippB1 ASP 153 HB2 -0.25 0.09 0.13 -0.04 2.71 2.63 3ippB1 ASP 153 HB3 -0.17 -0.03 -0.08 -0.04 2.70 2.38 3ippB1 LEU 154 H -0.59 0.63 -0.07 -0.55 8.37 7.79 3ippB1 LEU 154 HA -0.42 0.07 0.40 -0.75 4.35 3.64 3ippB1 LEU 154 HB2 -1.37 -0.03 0.04 -0.04 1.64 0.24 3ippB1 LEU 154 HB3 -0.92 0.07 0.16 -0.04 1.64 0.91 3ippB1 LEU 154 HG -1.17 0.03 -0.31 -0.04 1.64 0.15 3ippB1 LEU 154 HD13 -0.52 -0.00 0.00 -0.04 0.93 0.37 3ippB1 LEU 154 HD23 -1.51 -0.02 -0.08 -0.04 0.89 -0.76 3ippB1 GLN 155 H -0.21 0.59 -0.25 -0.55 8.47 8.06 3ippB1 GLN 155 HA 0.32 0.01 0.38 -0.75 4.36 4.31 3ippB1 GLN 155 HB2 0.03 0.14 0.16 -0.04 2.15 2.44 3ippB1 GLN 155 HB3 0.13 -0.08 -0.01 -0.04 2.02 2.01 3ippB1 GLN 155 HG2 0.42 -0.03 -0.02 -0.04 2.40 2.73 3ippB1 GLN 155 HG3 0.06 0.09 0.02 -0.04 2.39 2.52 3ippB1 GLN 155 HE21 0.01 0.00 -0.08 -0.04 6.97 6.87 3ippB1 GLN 155 HE22 0.25 -0.03 -0.09 -0.04 7.69 7.78 3ippB1 GLN 156 H -0.16 0.31 -0.43 -0.55 8.47 7.63 3ippB1 GLN 156 HA -0.04 0.12 0.63 -0.75 4.36 4.31 3ippB1 GLN 156 HB2 -0.22 0.01 0.10 -0.04 2.15 2.00 3ippB1 GLN 156 HB3 -0.11 -0.08 0.17 -0.04 2.02 1.96 3ippB1 GLN 156 HG2 -0.13 -0.01 -0.08 -0.04 2.40 2.14 3ippB1 GLN 156 HG3 -0.49 0.24 -0.00 -0.04 2.39 2.09 3ippB1 GLN 156 HE21 0.08 -0.05 -0.00 -0.04 6.97 6.96 3ippB1 GLN 156 HE22 0.00 0.01 -0.02 -0.04 7.69 7.65 3ippB1 GLY 157 H -0.03 0.41 -0.43 -0.55 8.43 7.83 3ippB1 GLY 157 HA2 0.01 0.04 0.25 -0.51 4.01 3.81 3ippB1 GLY 157 HA3 -0.00 -0.01 0.36 -0.51 4.01 3.84 3ippB1 LYS 158 H -0.10 0.47 -0.12 -0.55 8.42 8.11 3ippB1 LYS 158 HA -0.04 0.05 0.46 -0.75 4.32 4.04 3ippB1 LYS 158 HB2 -0.12 -0.02 -0.14 -0.04 1.87 1.55 3ippB1 LYS 158 HB3 -0.05 -0.05 0.04 -0.04 1.79 1.69 3ippB1 LYS 158 HG2 -0.10 0.09 -0.09 -0.04 1.46 1.31 3ippB1 LYS 158 HG3 -0.07 -0.09 -0.01 -0.04 1.46 1.26 3ippB1 LYS 158 HD2 -0.03 -0.07 -0.02 -0.04 1.69 1.53 3ippB1 LYS 158 HD3 -0.04 0.09 -0.24 -0.04 1.68 1.45 3ippB1 LYS 158 HE2 -0.02 -0.05 -0.02 -0.04 2.99 2.86 3ippB1 LYS 158 HE3 -0.05 0.12 -0.02 -0.04 2.99 3.00 3ippB1 GLU 159 H -0.01 0.05 0.12 -0.55 8.60 8.22 3ippB1 GLU 159 HA -0.01 0.15 0.71 -0.75 4.29 4.39 3ippB1 GLU 159 HB2 0.03 -0.07 0.12 -0.04 2.09 2.12 3ippB1 GLU 159 HB3 0.04 -0.00 0.00 -0.04 1.99 1.99 3ippB1 GLU 159 HG2 0.02 0.07 0.02 -0.04 2.34 2.41 3ippB1 GLU 159 HG3 0.01 0.00 0.05 -0.04 2.34 2.36 3ippB1 VAL 160 H 0.01 0.29 0.14 -0.55 8.24 8.13 3ippB1 VAL 160 HA 0.11 0.11 0.70 -0.75 4.13 4.28 3ippB1 VAL 160 HB -0.18 -0.03 -0.00 -0.04 2.12 1.87 3ippB1 VAL 160 HG13 -0.43 0.05 -0.40 -0.04 0.97 0.15 3ippB1 VAL 160 HG23 -0.26 0.03 -0.25 -0.04 0.95 0.43 3ippB1 THR 161 H 0.51 0.12 0.04 -0.55 8.28 8.40 3ippB1 THR 161 HA 0.30 0.02 0.55 -0.75 4.39 4.51 3ippB1 THR 161 HB 0.86 0.01 0.05 -0.04 4.32 5.19 3ippB1 THR 161 HG23 0.32 0.02 -0.09 -0.04 1.22 1.43 3ippB1 ALA 162 H 0.23 0.10 0.15 -0.55 8.40 8.33 3ippB1 ALA 162 HA 0.14 0.04 0.29 -0.75 4.34 4.05 3ippB1 ALA 162 HB3 0.01 0.03 -0.06 -0.04 1.41 1.34 3ippB1 LYS 163 H 0.21 0.02 -0.17 -0.55 8.42 7.93 3ippB1 LYS 163 HA 0.22 0.08 0.32 -0.75 4.32 4.18 3ippB1 LYS 163 HB2 0.09 -0.00 0.04 -0.04 1.87 1.95 3ippB1 LYS 163 HB3 0.10 -0.06 -0.02 -0.04 1.79 1.76 3ippB1 LYS 163 HG2 0.06 0.32 -0.12 -0.04 1.46 1.68 3ippB1 LYS 163 HG3 -0.07 -0.05 0.02 -0.04 1.46 1.32 3ippB1 LYS 163 HD2 0.02 -0.08 0.01 -0.04 1.69 1.60 3ippB1 LYS 163 HD3 0.06 -0.04 -0.04 -0.04 1.68 1.62 3ippB1 LYS 163 HE2 0.12 0.09 -0.04 -0.04 2.99 3.12 3ippB1 LYS 163 HE3 0.04 0.01 -0.02 -0.04 2.99 2.98 3ippB1 PRO 164 HA 0.13 -0.00 0.46 -0.51 4.44 4.53 3ippB1 PRO 164 HB2 0.26 0.13 -0.11 -0.04 2.28 2.52 3ippB1 PRO 164 HB3 0.21 -0.02 0.00 -0.04 2.02 2.16 3ippB1 PRO 164 HG2 -0.45 0.02 -0.03 -0.04 2.03 1.54 3ippB1 PRO 164 HG3 0.12 0.03 -0.01 -0.04 2.03 2.12 3ippB1 PRO 164 HD2 -0.21 0.07 0.13 -0.04 3.68 3.63 3ippB1 PRO 164 HD3 0.24 0.17 0.12 -0.04 3.65 4.14 3ippB1 ALA 165 H 0.10 0.08 0.14 -0.55 8.40 8.16 3ippB1 ALA 165 HA 0.08 0.10 0.37 -0.75 4.34 4.14 3ippB1 ALA 165 HB3 0.05 -0.01 0.07 -0.04 1.41 1.48 3ippB1 GLY 166 H 0.13 0.03 -0.25 -0.55 8.43 7.79 3ippB1 GLY 166 HA2 0.07 0.15 0.67 -0.51 4.01 4.39 3ippB1 GLY 166 HA3 0.05 -0.05 0.35 -0.51 4.01 3.85 3ippB1 ASP 167 H 0.03 0.08 0.14 -0.55 8.40 8.11 3ippB1 ASP 167 HA -0.06 0.13 0.61 -0.75 4.63 4.56 3ippB1 ASP 167 HB2 -0.02 -0.05 0.07 -0.04 2.71 2.67 3ippB1 ASP 167 HB3 -0.09 0.08 0.08 -0.04 2.70 2.73 3ippB1 TRP 168 H -0.46 0.26 0.24 -0.55 7.97 7.47 3ippB1 TRP 168 HA 0.04 0.22 0.79 -0.75 4.62 4.93 3ippB1 TRP 168 HB2 0.09 0.03 -0.05 -0.04 3.23 3.25 3ippB1 TRP 168 HB3 0.08 -0.02 -0.08 -0.04 3.23 3.17 3ippB1 TRP 168 HD1 0.03 0.18 -0.15 -0.04 7.22 7.25 3ippB1 TRP 168 HE1 -0.02 0.04 -0.03 -0.04 10.20 10.15 3ippB1 TRP 168 HE3 0.06 -0.01 -0.47 -0.04 7.59 7.13 3ippB1 TRP 168 HZ2 -0.05 0.10 -0.10 -0.04 7.44 7.35 3ippB1 TRP 168 HZ3 0.02 -0.02 -0.14 -0.04 7.13 6.96 3ippB1 TRP 168 HH2 -0.03 0.01 -0.08 -0.04 7.19 7.04 3ippB1 LYS 169 H 0.31 0.67 0.31 -0.55 8.42 9.16 3ippB1 LYS 169 HA 0.15 0.17 0.83 -0.75 4.32 4.71 3ippB1 LYS 169 HB2 0.12 0.01 -0.00 -0.04 1.87 1.95 3ippB1 LYS 169 HB3 0.11 -0.03 -0.08 -0.04 1.79 1.75 3ippB1 LYS 169 HG2 0.05 0.06 -0.00 -0.04 1.46 1.53 3ippB1 LYS 169 HG3 -0.00 0.08 0.07 -0.04 1.46 1.56 3ippB1 LYS 169 HD2 -0.02 -0.08 -0.34 -0.04 1.69 1.22 3ippB1 LYS 169 HD3 0.05 -0.04 -0.19 -0.04 1.68 1.47 3ippB1 LYS 169 HE2 0.01 0.27 0.03 -0.04 2.99 3.26 3ippB1 LYS 169 HE3 0.03 0.15 0.01 -0.04 2.99 3.15 3ippB1 VAL 170 H 0.21 0.36 0.19 -0.55 8.24 8.45 3ippB1 VAL 170 HA 0.23 0.35 0.98 -0.75 4.13 4.93 3ippB1 VAL 170 HB 0.23 0.06 -0.05 -0.04 2.12 2.32 3ippB1 VAL 170 HG13 0.19 -0.03 -0.16 -0.04 0.97 0.94 3ippB1 VAL 170 HG23 0.36 0.00 -0.18 -0.04 0.95 1.10 3ippB1 ILE 171 H 0.18 0.62 0.30 -0.55 8.25 8.80 3ippB1 ILE 171 HA 0.06 0.23 0.93 -0.75 4.18 4.64 3ippB1 ILE 171 HB -0.05 -0.08 -0.11 -0.04 1.89 1.61 3ippB1 ILE 171 HG12 0.05 0.12 -0.35 -0.04 1.49 1.26 3ippB1 ILE 171 HG13 0.08 -0.08 -0.66 -0.04 1.21 0.51 3ippB1 ILE 171 HG23 -0.19 0.00 -0.40 -0.04 0.93 0.30 3ippB1 ILE 171 HD13 -0.03 0.02 -0.20 -0.04 0.88 0.62 3ippB1 GLU 172 H -0.05 0.79 0.29 -0.55 8.60 9.08 3ippB1 GLU 172 HA -1.06 0.18 0.97 -0.75 4.29 3.63 3ippB1 GLU 172 HB2 -0.28 -0.01 0.11 -0.04 2.09 1.87 3ippB1 GLU 172 HB3 0.04 0.07 0.19 -0.04 1.99 2.24 3ippB1 GLU 172 HG2 -0.11 -0.06 -0.27 -0.04 2.34 1.85 3ippB1 GLU 172 HG3 -0.53 -0.02 0.05 -0.04 2.34 1.80 3ippB1 ALA 173 H -0.38 0.65 0.44 -0.55 8.40 8.55 3ippB1 ALA 173 HA -0.50 0.43 1.09 -0.75 4.34 4.61 3ippB1 ALA 173 HB3 -0.27 -0.03 -0.10 -0.04 1.41 0.96 3ippB1 ALA 174 H -0.35 0.62 0.32 -0.55 8.40 8.44 3ippB1 ALA 174 HA 0.09 -0.06 0.41 -0.75 4.34 4.02 3ippB1 ALA 174 HB3 0.15 0.03 0.06 -0.04 1.41 1.61 3ippB1 TRP 175 H 0.48 0.09 0.18 -0.55 7.97 8.16 3ippB1 TRP 175 HA 0.19 -0.10 0.62 -0.75 4.62 4.57 3ippB1 TRP 175 HB2 0.27 -0.02 0.14 -0.04 3.23 3.58 3ippB1 TRP 175 HB3 0.13 0.01 0.18 -0.04 3.23 3.51 3ippB1 TRP 175 HD1 0.05 0.02 -0.26 -0.04 7.22 6.98 3ippB1 TRP 175 HE1 0.01 0.03 -0.05 -0.04 10.20 10.15 3ippB1 TRP 175 HE3 -0.01 -0.04 -0.01 -0.04 7.59 7.49 3ippB1 TRP 175 HZ2 -0.00 0.04 -0.01 -0.04 7.44 7.43 3ippB1 TRP 175 HZ3 -0.77 0.02 -0.06 -0.04 7.13 6.28 3ippB1 TRP 175 HH2 -0.15 0.03 -0.03 -0.04 7.19 7.00 3ippB1 GLY 176 H -0.46 -0.09 0.26 -0.55 8.43 7.60 3ippB1 GLY 176 HA2 -0.32 -0.01 0.34 -0.51 4.01 3.51 3ippB1 GLY 176 HA3 -0.04 0.13 0.34 -0.51 4.01 3.93 3ippB1 ALA 177 H -0.01 0.05 0.12 -0.55 8.40 8.01 3ippB1 ALA 177 HA 0.00 0.09 0.41 -0.75 4.34 4.08 3ippB1 ALA 177 HB3 -0.04 0.02 0.07 -0.04 1.41 1.42 3ippB1 PRO 178 HA -0.76 -0.07 0.34 -0.51 4.44 3.45 3ippB1 PRO 178 HB2 -0.23 0.04 0.02 -0.04 2.28 2.07 3ippB1 PRO 178 HB3 -0.51 0.06 -0.05 -0.04 2.02 1.48 3ippB1 PRO 178 HG2 -0.37 0.09 0.06 -0.04 2.03 1.77 3ippB1 PRO 178 HG3 -1.23 0.06 0.02 -0.04 2.03 0.85 3ippB1 PRO 178 HD2 -0.21 0.09 0.17 -0.04 3.68 3.70 3ippB1 PRO 178 HD3 -0.29 0.11 0.15 -0.04 3.65 3.58 3ippB1 LYS 179 H -0.06 -0.02 0.10 -0.55 8.42 7.88 3ippB1 LYS 179 HA -0.01 0.27 0.75 -0.75 4.32 4.58 3ippB1 LYS 179 HB2 0.05 -0.20 0.24 -0.04 1.87 1.92 3ippB1 LYS 179 HB3 0.03 0.04 0.09 -0.04 1.79 1.91 3ippB1 LYS 179 HG2 0.05 0.24 -0.18 -0.04 1.46 1.52 3ippB1 LYS 179 HG3 0.08 -0.04 0.00 -0.04 1.46 1.46 3ippB1 LYS 179 HD2 0.03 -0.03 0.00 -0.04 1.69 1.65 3ippB1 LYS 179 HD3 0.01 0.16 -0.04 -0.04 1.68 1.77 3ippB1 LYS 179 HE2 0.07 -0.01 -0.06 -0.04 2.99 2.94 3ippB1 LYS 179 HE3 0.06 -0.03 -0.02 -0.04 2.99 2.95 3ippB1 LEU 180 H 0.03 0.16 0.16 -0.55 8.37 8.17 3ippB1 LEU 180 HA -0.01 0.11 0.50 -0.75 4.35 4.20 3ippB1 LEU 180 HB2 -0.03 -0.06 0.13 -0.04 1.64 1.63 3ippB1 LEU 180 HB3 -0.11 0.09 0.07 -0.04 1.64 1.65 3ippB1 LEU 180 HG 0.03 -0.04 0.13 -0.04 1.64 1.72 3ippB1 LEU 180 HD13 0.04 0.00 0.05 -0.04 0.93 0.99 3ippB1 LEU 180 HD23 0.03 0.02 0.04 -0.04 0.89 0.94 3ippB1 TYR 181 H 0.07 -0.07 -0.22 -0.55 8.29 7.52 3ippB1 TYR 181 HA -0.10 0.27 0.34 -0.75 4.56 4.32 3ippB1 TYR 181 HB2 -0.04 -0.08 0.01 -0.04 3.06 2.91 3ippB1 TYR 181 HB3 -0.29 -0.14 -0.06 -0.04 2.98 2.45 3ippB1 TYR 181 HD2 -0.12 -0.08 -0.26 -0.04 7.15 6.65 3ippB1 TYR 181 HE2 -0.24 0.09 -0.30 -0.04 6.85 6.36 3ippB1 LEU 182 H 0.05 0.37 -0.54 -0.55 8.37 7.71 3ippB1 LEU 182 HA 0.09 0.25 0.15 -0.75 4.35 4.08 3ippB1 LEU 182 HB2 0.02 0.09 -0.07 -0.04 1.64 1.64 3ippB1 LEU 182 HB3 0.03 -0.09 -0.05 -0.04 1.64 1.49 3ippB1 LEU 182 HG 0.00 -0.16 -0.33 -0.04 1.64 1.11 3ippB1 LEU 182 HD13 -0.01 -0.00 -0.07 -0.04 0.93 0.81 3ippB1 LEU 182 HD23 0.05 0.03 -0.27 -0.04 0.89 0.67 3ippB1 ILE 183 H -0.01 0.24 -0.32 -0.55 8.25 7.60 3ippB1 ILE 183 HA 0.00 0.03 0.64 -0.75 4.18 4.09 3ippB1 ILE 183 HB -0.01 0.07 0.21 -0.04 1.89 2.12 3ippB1 ILE 183 HG12 0.01 -0.01 -0.03 -0.04 1.49 1.42 3ippB1 ILE 183 HG13 0.02 -0.05 -0.00 -0.04 1.21 1.14 3ippB1 ILE 183 HG23 0.04 -0.01 -0.08 -0.04 0.93 0.84 3ippB1 ILE 183 HD13 0.01 0.01 -0.10 -0.04 0.88 0.76 3ippB1 SER 184 H -0.13 0.46 0.13 -0.55 8.46 8.37 3ippB1 SER 184 HA -0.18 0.33 0.31 -0.75 4.49 4.20 3ippB1 SER 184 HB2 0.19 -0.01 0.02 -0.04 3.95 4.11 3ippB1 SER 184 HB3 0.08 0.10 -0.00 -0.04 3.93 4.06 3ippB1 HIS 185 H -0.41 0.70 0.30 -0.55 8.41 8.45 3ippB1 HIS 185 HA -0.40 -0.04 0.45 -0.75 4.63 3.89 3ippB1 HIS 185 HB2 -0.09 -0.08 0.07 -0.04 3.26 3.12 3ippB1 HIS 185 HB3 -0.52 -0.02 0.02 -0.04 3.20 2.63 3ippB1 HIS 185 HD2 -0.12 0.22 -0.23 -0.04 6.97 6.79 3ippB1 HIS 185 HE1 -0.28 0.25 -0.60 -0.04 7.75 7.07 3ippB1 ILE 186 H 0.13 0.01 0.06 -0.55 8.25 7.91 3ippB1 ILE 186 HA -0.57 0.18 0.48 -0.75 4.18 3.52 3ippB1 ILE 186 HB -0.34 -0.06 0.03 -0.04 1.89 1.48 3ippB1 ILE 186 HG12 -2.01 0.08 -0.02 -0.04 1.49 -0.50 3ippB1 ILE 186 HG13 -0.68 -0.11 0.01 -0.04 1.21 0.39 3ippB1 ILE 186 HG23 -0.97 0.06 -0.10 -0.04 0.93 -0.11 3ippB1 ILE 186 HD13 -1.08 -0.02 -0.09 -0.04 0.88 -0.35 3ippB1 PRO 187 HA 0.05 0.00 0.42 -0.51 4.44 4.40 3ippB1 PRO 187 HB2 0.14 0.03 -0.02 -0.04 2.28 2.40 3ippB1 PRO 187 HB3 0.11 0.03 -0.02 -0.04 2.02 2.10 3ippB1 PRO 187 HG2 0.35 0.04 -0.10 -0.04 2.03 2.27 3ippB1 PRO 187 HG3 0.17 -0.04 -0.33 -0.04 2.03 1.80 3ippB1 PRO 187 HD2 -0.07 0.02 0.15 -0.04 3.68 3.74 3ippB1 PRO 187 HD3 0.14 0.30 0.29 -0.04 3.65 4.34 3ippB1 GLY 188 H 0.12 0.12 0.11 -0.55 8.43 8.23 3ippB1 GLY 188 HA2 0.09 -0.00 0.33 -0.51 4.01 3.92 3ippB1 GLY 188 HA3 0.11 0.09 0.40 -0.51 4.01 4.09 3ippB1 ALA 189 H 0.20 0.42 -0.54 -0.55 8.40 7.94 3ippB1 ALA 189 HA 0.20 0.20 0.38 -0.75 4.34 4.37 3ippB1 ALA 189 HB3 0.34 -0.06 -0.05 -0.04 1.41 1.59 3ippB1 ASP 190 H 0.14 0.61 0.49 -0.55 8.40 9.09 3ippB1 ASP 190 HA 0.11 0.16 0.73 -0.75 4.63 4.86 3ippB1 ASP 190 HB2 0.09 0.10 0.14 -0.04 2.71 3.00 3ippB1 ASP 190 HB3 0.08 -0.03 0.13 -0.04 2.70 2.84 3ippB1 TYR 191 H 0.04 0.30 0.18 -0.55 8.29 8.26 3ippB1 TYR 191 HA -0.29 0.21 1.00 -0.75 4.56 4.73 3ippB1 TYR 191 HB2 -1.35 0.06 -0.16 -0.04 3.06 1.57 3ippB1 TYR 191 HB3 -0.47 0.01 0.04 -0.04 2.98 2.52 3ippB1 TYR 191 HD2 -0.39 -0.00 -0.19 -0.04 7.15 6.52 3ippB1 TYR 191 HE2 -0.13 -0.07 -0.16 -0.04 6.85 6.44 3ippB1 ILE 192 H -0.87 0.69 0.30 -0.55 8.25 7.82 3ippB1 ILE 192 HA -0.24 0.16 0.93 -0.75 4.18 4.27 3ippB1 ILE 192 HB -0.54 0.09 -0.23 -0.04 1.89 1.16 3ippB1 ILE 192 HG12 -0.28 -0.08 -0.29 -0.04 1.49 0.79 3ippB1 ILE 192 HG13 -0.27 -0.02 0.02 -0.04 1.21 0.90 3ippB1 ILE 192 HG23 -0.36 0.00 -0.14 -0.04 0.93 0.40 3ippB1 ILE 192 HD13 -0.49 0.02 -0.13 -0.04 0.88 0.24 3ippB1 ASP 193 H -0.15 0.20 0.13 -0.55 8.40 8.03 3ippB1 ASP 193 HA -0.20 0.40 0.74 -0.75 4.63 4.81 3ippB1 ASP 193 HB2 0.09 0.17 -0.03 -0.04 2.71 2.89 3ippB1 ASP 193 HB3 -0.05 0.00 0.11 -0.04 2.70 2.73 3ippB1 THR 194 H -0.10 0.43 0.18 -0.55 8.28 8.25 3ippB1 THR 194 HA -0.12 0.14 0.36 -0.75 4.39 4.02 3ippB1 THR 194 HB 0.13 0.04 0.01 -0.04 4.32 4.45 3ippB1 THR 194 HG23 -0.28 0.03 -0.13 -0.04 1.22 0.80 3ippB1 ASN 195 H -0.18 -0.00 -0.20 -0.55 8.53 7.59 3ippB1 ASN 195 HA 0.04 0.22 0.47 -0.75 4.76 4.73 3ippB1 ASN 195 HB2 -0.21 -0.01 0.04 -0.04 2.88 2.66 3ippB1 ASN 195 HB3 -0.12 0.08 0.14 -0.04 2.79 2.85 3ippB1 ASN 195 HD21 -0.47 -0.03 -0.01 -0.04 7.03 6.48 3ippB1 ASN 195 HD22 0.21 0.15 0.04 -0.04 7.74 8.10 3ippB1 GLU 196 H -0.08 0.50 -0.51 -0.55 8.60 7.96 3ippB1 GLU 196 HA -0.04 0.08 0.57 -0.75 4.29 4.14 3ippB1 GLU 196 HB2 -0.07 0.12 0.04 -0.04 2.09 2.14 3ippB1 GLU 196 HB3 -0.01 -0.01 0.07 -0.04 1.99 2.00 3ippB1 GLU 196 HG2 -0.00 -0.00 0.02 -0.04 2.34 2.32 3ippB1 GLU 196 HG3 -0.04 -0.12 0.04 -0.04 2.34 2.19 3ippB1 VAL 197 H -0.03 0.56 -0.14 -0.55 8.24 8.09 3ippB1 VAL 197 HA -0.04 0.24 0.99 -0.75 4.13 4.57 3ippB1 VAL 197 HB -0.06 -0.01 0.06 -0.04 2.12 2.07 3ippB1 VAL 197 HG13 -0.10 0.01 -0.17 -0.04 0.97 0.67 3ippB1 VAL 197 HG23 -0.06 0.02 -0.13 -0.04 0.95 0.74 3ippB1 GLU 198 H 0.04 0.31 0.01 -0.55 8.60 8.41 3ippB1 GLU 198 HA 0.01 0.12 0.71 -0.75 4.29 4.38 3ippB1 GLU 198 HB2 0.27 0.08 -0.33 -0.04 2.09 2.07 3ippB1 GLU 198 HB3 0.15 0.02 -0.40 -0.04 1.99 1.72 3ippB1 GLU 198 HG2 0.28 0.09 -0.16 -0.04 2.34 2.52 3ippB1 GLU 198 HG3 0.61 -0.04 -0.38 -0.04 2.34 2.48 3ippB1 SER 199 H -0.14 0.58 0.14 -0.55 8.46 8.49 3ippB1 SER 199 HA -0.85 0.02 0.52 -0.75 4.49 3.43 3ippB1 SER 199 HB2 -0.34 -0.08 0.16 -0.04 3.95 3.65 3ippB1 SER 199 HB3 -0.20 0.16 -0.24 -0.04 3.93 3.61 3ippB1 GLU 200 H -1.01 0.13 0.11 -0.55 8.60 7.29 3ippB1 GLU 200 HA -0.76 -0.04 0.52 -0.75 4.29 3.26 3ippB1 GLU 200 HB2 -0.36 -0.00 0.14 -0.04 2.09 1.82 3ippB1 GLU 200 HB3 -0.23 0.08 -0.06 -0.04 1.99 1.74 3ippB1 GLU 200 HG2 -0.09 0.05 0.06 -0.04 2.34 2.32 3ippB1 GLU 200 HG3 -0.23 0.05 0.10 -0.04 2.34 2.22 3ippB1 PRO 201 HA -0.19 0.03 0.37 -0.51 4.44 4.14 3ippB1 PRO 201 HB2 -0.10 0.08 0.05 -0.04 2.28 2.27 3ippB1 PRO 201 HB3 -0.09 0.04 0.10 -0.04 2.02 2.02 3ippB1 PRO 201 HG2 -0.11 0.05 0.05 -0.04 2.03 1.98 3ippB1 PRO 201 HG3 -0.10 0.06 0.07 -0.04 2.03 2.02 3ippB1 PRO 201 HD2 -0.14 0.02 0.17 -0.04 3.68 3.69 3ippB1 PRO 201 HD3 -0.14 0.18 0.43 -0.04 3.65 4.08 3ippB1 LEU 202 H -0.19 0.22 -0.00 -0.55 8.37 7.85 3ippB1 LEU 202 HA -0.12 0.23 0.54 -0.75 4.35 4.25 3ippB1 LEU 202 HB2 -0.09 0.00 0.05 -0.04 1.64 1.56 3ippB1 LEU 202 HB3 -0.04 0.03 -0.02 -0.04 1.64 1.57 3ippB1 LEU 202 HG -0.15 -0.01 -0.10 -0.04 1.64 1.34 3ippB1 LEU 202 HD13 -0.08 -0.00 -0.01 -0.04 0.93 0.80 3ippB1 LEU 202 HD23 -0.30 0.03 -0.03 -0.04 0.89 0.55 3ippB1 TRP 203 H -0.42 0.14 -0.05 -0.55 7.97 7.09 3ippB1 TRP 203 HA 0.07 0.04 0.15 -0.75 4.62 4.13 3ippB1 TRP 203 HB2 0.15 0.17 -0.01 -0.04 3.23 3.49 3ippB1 TRP 203 HB3 0.10 -0.07 0.13 -0.04 3.23 3.35 3ippB1 TRP 203 HD1 0.19 0.11 -0.28 -0.04 7.22 7.19 3ippB1 TRP 203 HE1 -0.10 0.03 -0.09 -0.04 10.20 10.00 3ippB1 TRP 203 HE3 0.17 0.04 -0.24 -0.04 7.59 7.51 3ippB1 TRP 203 HZ2 0.11 0.03 -0.04 -0.04 7.44 7.49 3ippB1 TRP 203 HZ3 0.10 0.04 -0.19 -0.04 7.13 7.04 3ippB1 TRP 203 HH2 0.12 0.01 -0.03 -0.04 7.19 7.25 3ippB1 ASN 204 H -0.02 -0.01 -0.19 -0.55 8.53 7.77 3ippB1 ASN 204 HA 0.06 0.21 0.70 -0.75 4.76 4.97 3ippB1 ASN 204 HB2 -0.04 -0.08 -0.01 -0.04 2.88 2.71 3ippB1 ASN 204 HB3 -0.03 0.08 0.03 -0.04 2.79 2.83 3ippB1 ASN 204 HD21 -0.01 -0.10 -0.03 -0.04 7.03 6.85 3ippB1 ASN 204 HD22 -0.02 0.02 -0.03 -0.04 7.74 7.67 3ippB1 LYS 205 H -0.04 0.07 0.10 -0.55 8.42 7.99 3ippB1 LYS 205 HA -0.01 0.18 0.62 -0.75 4.32 4.35 3ippB1 LYS 205 HB2 -0.10 0.12 0.12 -0.04 1.87 1.98 3ippB1 LYS 205 HB3 -0.11 -0.06 0.13 -0.04 1.79 1.71 3ippB1 LYS 205 HG2 -0.17 -0.13 0.07 -0.04 1.46 1.19 3ippB1 LYS 205 HG3 -0.13 0.09 -0.15 -0.04 1.46 1.23 3ippB1 LYS 205 HD2 -0.33 0.05 -0.06 -0.04 1.69 1.31 3ippB1 LYS 205 HD3 -0.42 -0.00 0.01 -0.04 1.68 1.23 3ippB1 LYS 205 HE2 -1.71 0.05 -0.03 -0.04 2.99 1.26 3ippB1 LYS 205 HE3 -0.45 -0.06 -0.01 -0.04 2.99 2.43 3ippB1 VAL 206 H -0.04 0.47 -0.03 -0.55 8.24 8.09 3ippB1 VAL 206 HA -0.07 0.04 0.40 -0.75 4.13 3.75 3ippB1 VAL 206 HB -0.05 -0.16 0.01 -0.04 2.12 1.88 3ippB1 VAL 206 HG13 -0.07 -0.00 -0.29 -0.04 0.97 0.56 3ippB1 VAL 206 HG23 -0.04 0.10 -0.18 -0.04 0.95 0.79 3ippB1 SER 207 H -0.04 0.06 0.11 -0.55 8.46 8.03 3ippB1 SER 207 HA -0.01 0.17 0.29 -0.75 4.49 4.19 3ippB1 SER 207 HB2 -0.02 -0.04 0.15 -0.04 3.95 4.01 3ippB1 SER 207 HB3 -0.03 0.12 0.14 -0.04 3.93 4.12 3ippB1 ASP 208 H 0.02 0.21 0.15 -0.55 8.40 8.24 3ippB1 ASP 208 HA 0.03 0.16 0.52 -0.75 4.63 4.58 3ippB1 ASP 208 HB2 0.00 -0.07 0.12 -0.04 2.71 2.73 3ippB1 ASP 208 HB3 -0.02 0.12 -0.05 -0.04 2.70 2.72 3ippB1 GLU 209 H -0.02 0.10 -0.10 -0.55 8.60 8.04 3ippB1 GLU 209 HA -0.03 0.00 0.49 -0.75 4.29 4.00 3ippB1 GLU 209 HB2 -0.02 0.00 0.04 -0.04 2.09 2.07 3ippB1 GLU 209 HB3 -0.02 0.00 0.03 -0.04 1.99 1.95 3ippB1 GLU 209 HG2 -0.02 0.00 0.04 -0.04 2.34 2.32 3ippB1 GLU 209 HG3 -0.02 0.01 0.05 -0.04 2.34 2.34 3ippB1 GLN 210 H -0.03 0.08 -0.30 -0.55 8.47 7.67 3ippB1 GLN 210 HA -0.03 0.07 0.47 -0.75 4.36 4.12 3ippB1 GLN 210 HB2 -0.03 -0.13 0.08 -0.04 2.15 2.03 3ippB1 GLN 210 HB3 -0.04 0.15 -0.08 -0.04 2.02 2.01 3ippB1 GLN 210 HG2 -0.04 0.08 0.03 -0.04 2.40 2.43 3ippB1 GLN 210 HG3 -0.03 -0.02 0.03 -0.04 2.39 2.32 3ippB1 GLN 210 HE21 -0.05 0.02 0.01 -0.04 6.97 6.91 3ippB1 GLN 210 HE22 -0.04 -0.01 -0.01 -0.04 7.69 7.60 3ippB1 LEU 211 H -0.03 0.47 -0.21 -0.55 8.37 8.05 3ippB1 LEU 211 HA -0.04 0.07 0.44 -0.75 4.35 4.06 3ippB1 LEU 211 HB2 -0.03 0.05 0.14 -0.04 1.64 1.75 3ippB1 LEU 211 HB3 -0.07 -0.01 -0.05 -0.04 1.64 1.47 3ippB1 LEU 211 HG -0.01 0.14 -0.14 -0.04 1.64 1.59 3ippB1 LEU 211 HD13 0.09 -0.01 -0.08 -0.04 0.93 0.90 3ippB1 LEU 211 HD23 -0.03 0.00 -0.03 -0.04 0.89 0.80 3ippB1 LYS 212 H -0.08 0.73 -0.01 -0.55 8.42 8.51 3ippB1 LYS 212 HA -0.18 0.02 0.47 -0.75 4.32 3.88 3ippB1 LYS 212 HB2 -0.08 0.07 0.18 -0.04 1.87 2.00 3ippB1 LYS 212 HB3 -0.04 0.11 0.15 -0.04 1.79 1.96 3ippB1 LYS 212 HG2 -0.02 -0.01 0.00 -0.04 1.46 1.39 3ippB1 LYS 212 HG3 -0.07 -0.01 0.09 -0.04 1.46 1.43 3ippB1 LYS 212 HD2 -0.03 -0.04 0.04 -0.04 1.69 1.62 3ippB1 LYS 212 HD3 -0.01 0.00 0.02 -0.04 1.68 1.65 3ippB1 LYS 212 HE2 0.02 -0.03 0.06 -0.04 2.99 3.00 3ippB1 LYS 212 HE3 0.00 -0.01 0.04 -0.04 2.99 2.98 3ippB1 ALA 213 H -0.04 0.40 -0.33 -0.55 8.40 7.89 3ippB1 ALA 213 HA -0.01 -0.00 0.41 -0.75 4.34 3.98 3ippB1 ALA 213 HB3 -0.02 0.02 0.12 -0.04 1.41 1.49 3ippB1 MET 214 H -0.01 0.64 0.04 -0.55 8.47 8.59 3ippB1 MET 214 HA 0.07 -0.03 0.39 -0.75 4.52 4.20 3ippB1 MET 214 HB2 0.00 0.05 0.13 -0.04 2.15 2.29 3ippB1 MET 214 HB3 -0.01 0.07 0.16 -0.04 2.03 2.20 3ippB1 MET 214 HG2 0.10 -0.07 -0.01 -0.04 2.63 2.61 3ippB1 MET 214 HG3 -0.03 0.01 -0.13 -0.04 2.56 2.38 3ippB1 MET 214 HE3 -0.05 -0.01 -0.11 -0.04 2.10 1.90 3ippB1 LEU 215 H -0.02 0.60 -0.26 -0.55 8.37 8.15 3ippB1 LEU 215 HA 0.08 0.03 0.36 -0.75 4.35 4.07 3ippB1 LEU 215 HB2 -0.07 0.05 0.12 -0.04 1.64 1.69 3ippB1 LEU 215 HB3 0.14 0.13 -0.01 -0.04 1.64 1.86 3ippB1 LEU 215 HG -0.09 0.07 -0.02 -0.04 1.64 1.56 3ippB1 LEU 215 HD13 -0.64 -0.03 -0.18 -0.04 0.93 0.03 3ippB1 LEU 215 HD23 0.07 -0.01 -0.10 -0.04 0.89 0.80 3ippB1 ALA 216 H 0.03 0.53 -0.04 -0.55 8.40 8.38 3ippB1 ALA 216 HA 0.08 -0.02 0.42 -0.75 4.34 4.06 3ippB1 ALA 216 HB3 0.03 0.02 0.18 -0.04 1.41 1.59 3ippB1 LYS 217 H 0.01 0.64 -0.11 -0.55 8.42 8.41 3ippB1 LYS 217 HA -0.06 -0.05 0.29 -0.75 4.32 3.75 3ippB1 LYS 217 HB2 -0.06 0.01 0.11 -0.04 1.87 1.89 3ippB1 LYS 217 HB3 -0.10 0.13 0.07 -0.04 1.79 1.86 3ippB1 LYS 217 HG2 -0.26 0.03 0.04 -0.04 1.46 1.24 3ippB1 LYS 217 HG3 -0.11 -0.06 0.06 -0.04 1.46 1.31 3ippB1 LYS 217 HD2 -0.09 -0.06 -0.01 -0.04 1.69 1.50 3ippB1 LYS 217 HD3 -0.22 0.04 -0.02 -0.04 1.68 1.44 3ippB1 LYS 217 HE2 -0.27 0.05 0.00 -0.04 2.99 2.73 3ippB1 LYS 217 HE3 -0.12 -0.03 0.02 -0.04 2.99 2.82 3ippB1 HIS 218 H 0.10 0.31 -0.56 -0.55 8.41 7.72 3ippB1 HIS 218 HA -0.00 0.14 0.74 -0.75 4.63 4.76 3ippB1 HIS 218 HB2 0.00 0.10 0.04 -0.04 3.26 3.36 3ippB1 HIS 218 HB3 -0.00 -0.06 0.07 -0.04 3.20 3.16 3ippB1 HIS 218 HD2 -0.03 0.25 0.04 -0.04 6.97 7.18 3ippB1 HIS 218 HE1 -0.05 0.26 0.18 -0.04 7.75 8.09 3ippB1 GLY 219 H 0.05 0.40 -0.23 -0.55 8.43 8.11 3ippB1 GLY 219 HA2 0.04 0.01 0.18 -0.51 4.01 3.74 3ippB1 GLY 219 HA3 0.04 0.07 0.29 -0.51 4.01 3.89 3ippB1 ILE 220 H 0.12 0.53 -0.07 -0.55 8.25 8.28 3ippB1 ILE 220 HA 0.08 0.14 0.76 -0.75 4.18 4.40 3ippB1 ILE 220 HB 0.17 -0.08 0.03 -0.04 1.89 1.97 3ippB1 ILE 220 HG12 0.09 0.03 -0.23 -0.04 1.49 1.34 3ippB1 ILE 220 HG13 0.11 0.11 -0.45 -0.04 1.21 0.93 3ippB1 ILE 220 HG23 0.19 -0.00 -0.21 -0.04 0.93 0.86 3ippB1 ILE 220 HD13 0.04 -0.03 -0.14 -0.04 0.88 0.71 3ippB1 ARG 221 H 0.01 0.14 0.12 -0.55 8.46 8.18 3ippB1 ARG 221 HA -0.07 0.15 0.80 -0.75 4.34 4.48 3ippB1 ARG 221 HB2 -0.10 -0.07 0.04 -0.04 1.90 1.74 3ippB1 ARG 221 HB3 -0.13 0.03 0.16 -0.04 1.80 1.82 3ippB1 ARG 221 HG2 0.03 0.10 -0.17 -0.04 1.67 1.59 3ippB1 ARG 221 HG3 0.02 0.00 -0.26 -0.04 1.67 1.39 3ippB1 ARG 221 HD2 0.01 -0.01 -0.06 -0.04 3.22 3.12 3ippB1 ARG 221 HD3 -0.03 -0.05 -0.04 -0.04 3.22 3.06 3ippB1 HIS 222 H -0.59 0.68 0.26 -0.55 8.41 8.23 3ippB1 HIS 222 HA -0.63 0.06 0.23 -0.75 4.63 3.54 3ippB1 HIS 222 HB2 -0.31 0.20 0.06 -0.04 3.26 3.18 3ippB1 HIS 222 HB3 -1.01 -0.03 -0.00 -0.04 3.20 2.11 3ippB1 HIS 222 HD2 -0.08 0.02 -0.11 -0.04 6.97 6.75 3ippB1 HIS 222 HE1 -0.08 -0.02 0.00 -0.04 7.75 7.61 3ippB1 ASP 223 H -0.63 0.03 -0.33 -0.55 8.40 6.92 3ippB1 ASP 223 HA -0.27 0.18 0.78 -0.75 4.63 4.56 3ippB1 ASP 223 HB2 -0.20 -0.01 0.14 -0.04 2.71 2.60 3ippB1 ASP 223 HB3 -0.62 0.02 -0.01 -0.04 2.70 2.05 3ippB1 THR 224 H -0.13 0.34 -0.34 -0.55 8.28 7.60 3ippB1 THR 224 HA 0.02 0.15 0.79 -0.75 4.39 4.60 3ippB1 THR 224 HB 0.04 0.06 0.05 -0.04 4.32 4.43 3ippB1 THR 224 HG23 0.07 0.06 -0.22 -0.04 1.22 1.08 3ippB1 THR 225 H 0.14 0.54 0.25 -0.55 8.28 8.67 3ippB1 THR 225 HA 0.11 0.31 0.77 -0.75 4.39 4.82 3ippB1 THR 225 HB 0.29 -0.02 0.15 -0.04 4.32 4.70 3ippB1 THR 225 HG23 0.17 -0.01 -0.23 -0.04 1.22 1.11 3ippB1 VAL 226 H 0.11 0.68 0.36 -0.55 8.24 8.85 3ippB1 VAL 226 HA 0.16 0.19 0.99 -0.75 4.13 4.71 3ippB1 VAL 226 HB 0.09 -0.00 0.11 -0.04 2.12 2.27 3ippB1 VAL 226 HG13 0.06 -0.03 -0.21 -0.04 0.97 0.74 3ippB1 VAL 226 HG23 0.09 0.03 -0.27 -0.04 0.95 0.77 3ippB1 ILE 227 H 0.19 0.81 0.24 -0.55 8.25 8.95 3ippB1 ILE 227 HA 0.13 0.14 0.89 -0.75 4.18 4.59 3ippB1 ILE 227 HB 0.22 0.07 0.19 -0.04 1.89 2.33 3ippB1 ILE 227 HG12 0.19 -0.01 -0.15 -0.04 1.49 1.47 3ippB1 ILE 227 HG13 0.19 -0.03 -0.54 -0.04 1.21 0.79 3ippB1 ILE 227 HG23 0.18 -0.04 -0.25 -0.04 0.93 0.78 3ippB1 ILE 227 HD13 0.18 0.02 -0.17 -0.04 0.88 0.86 3ippB1 LEU 228 H 0.10 0.77 0.24 -0.55 8.37 8.94 3ippB1 LEU 228 HA 0.08 0.30 0.99 -0.75 4.35 4.96 3ippB1 LEU 228 HB2 0.03 0.12 0.12 -0.04 1.64 1.87 3ippB1 LEU 228 HB3 -0.03 -0.14 -0.00 -0.04 1.64 1.43 3ippB1 LEU 228 HG 0.01 -0.02 -0.26 -0.04 1.64 1.33 3ippB1 LEU 228 HD13 -0.03 0.03 -0.15 -0.04 0.93 0.74 3ippB1 LEU 228 HD23 -0.13 0.02 -0.14 -0.04 0.89 0.61 3ippB1 TYR 229 H -0.02 0.68 0.43 -0.55 8.29 8.83 3ippB1 TYR 229 HA 0.07 0.09 0.58 -0.75 4.56 4.55 3ippB1 TYR 229 HB2 0.15 -0.08 0.10 -0.04 3.06 3.18 3ippB1 TYR 229 HB3 0.10 0.06 -0.10 -0.04 2.98 2.99 3ippB1 TYR 229 HD2 0.18 -0.02 -0.20 -0.04 7.15 7.07 3ippB1 TYR 229 HE2 0.14 0.05 -0.15 -0.04 6.85 6.85 3ippB1 GLY 230 H 0.20 0.17 0.18 -0.55 8.43 8.44 3ippB1 GLY 230 HA2 -0.13 0.21 0.63 -0.51 4.01 4.21 3ippB1 GLY 230 HA3 0.02 0.13 0.55 -0.51 4.01 4.20 3ippB1 ARG 231 H 0.11 0.25 0.20 -0.55 8.46 8.47 3ippB1 ARG 231 HA 0.32 0.06 0.76 -0.75 4.34 4.73 3ippB1 ARG 231 HB2 0.12 -0.02 0.23 -0.04 1.90 2.19 3ippB1 ARG 231 HB3 0.15 0.04 0.02 -0.04 1.80 1.97 3ippB1 ARG 231 HG2 0.05 0.02 0.08 -0.04 1.67 1.77 3ippB1 ARG 231 HG3 0.16 0.04 0.11 -0.04 1.67 1.94 3ippB1 ARG 231 HD2 -0.03 -0.08 -0.00 -0.04 3.22 3.06 3ippB1 ARG 231 HD3 -0.07 -0.02 0.04 -0.04 3.22 3.13 3ippB1 ASP 232 H 0.17 0.14 0.05 -0.55 8.40 8.21 3ippB1 ASP 232 HA 0.09 0.31 0.81 -0.75 4.63 5.08 3ippB1 ASP 232 HB2 0.47 -0.18 0.04 -0.04 2.71 3.00 3ippB1 ASP 232 HB3 -0.02 0.02 0.09 -0.04 2.70 2.75 3ippB1 VAL 233 H 0.05 0.29 0.06 -0.55 8.24 8.08 3ippB1 VAL 233 HA 0.10 0.07 0.35 -0.75 4.13 3.90 3ippB1 VAL 233 HB 0.09 0.00 0.10 -0.04 2.12 2.27 3ippB1 VAL 233 HG13 0.11 0.03 -0.09 -0.04 0.97 0.97 3ippB1 VAL 233 HG23 0.04 0.06 -0.03 -0.04 0.95 0.98 3ippB1 TYR 234 H 0.14 0.11 -0.17 -0.55 8.29 7.81 3ippB1 TYR 234 HA -0.05 0.12 0.22 -0.75 4.56 4.09 3ippB1 TYR 234 HB2 0.13 0.08 -0.27 -0.04 3.06 2.96 3ippB1 TYR 234 HB3 0.07 0.06 -0.04 -0.04 2.98 3.03 3ippB1 TYR 234 HD2 0.20 -0.12 -0.13 -0.04 7.15 7.07 3ippB1 TYR 234 HE2 0.18 0.05 -0.02 -0.04 6.85 7.01 3ippB1 ALA 235 H 0.34 0.16 -0.38 -0.55 8.40 7.97 3ippB1 ALA 235 HA -1.24 0.06 0.53 -0.75 4.34 2.93 3ippB1 ALA 235 HB3 -0.09 0.02 -0.01 -0.04 1.41 1.29 3ippB1 ALA 236 H -0.06 0.32 -0.11 -0.55 8.40 8.01 3ippB1 ALA 236 HA -0.17 0.10 0.42 -0.75 4.34 3.93 3ippB1 ALA 236 HB3 -0.02 0.03 -0.19 -0.04 1.41 1.19 3ippB1 ALA 237 H -0.07 0.44 -0.16 -0.55 8.40 8.06 3ippB1 ALA 237 HA -0.05 0.13 0.29 -0.75 4.34 3.96 3ippB1 ALA 237 HB3 -0.08 0.04 -0.22 -0.04 1.41 1.11 3ippB1 ARG 238 H -0.32 0.37 -0.35 -0.55 8.46 7.61 3ippB1 ARG 238 HA -0.22 0.04 0.32 -0.75 4.34 3.72 3ippB1 ARG 238 HB2 -0.81 -0.06 0.10 -0.04 1.90 1.09 3ippB1 ARG 238 HB3 -0.87 0.08 0.12 -0.04 1.80 1.09 3ippB1 ARG 238 HG2 -0.61 -0.07 -0.12 -0.04 1.67 0.82 3ippB1 ARG 238 HG3 -0.29 0.05 -0.39 -0.04 1.67 1.00 3ippB1 ARG 238 HD2 -0.12 0.01 -0.06 -0.04 3.22 3.01 3ippB1 ARG 238 HD3 -0.10 -0.05 -0.21 -0.04 3.22 2.82 3ippB1 VAL 239 H -0.30 0.38 -0.21 -0.55 8.24 7.55 3ippB1 VAL 239 HA -0.16 0.03 0.36 -0.75 4.13 3.60 3ippB1 VAL 239 HB -0.19 0.09 0.06 -0.04 2.12 2.04 3ippB1 VAL 239 HG13 -0.15 0.01 -0.17 -0.04 0.97 0.62 3ippB1 VAL 239 HG23 -0.27 0.01 -0.05 -0.04 0.95 0.61 3ippB1 ALA 240 H -0.11 0.39 -0.44 -0.55 8.40 7.70 3ippB1 ALA 240 HA -0.01 0.02 0.19 -0.75 4.34 3.78 3ippB1 ALA 240 HB3 0.01 0.03 -0.00 -0.04 1.41 1.40 3ippB1 GLN 241 H -0.07 0.58 -0.02 -0.55 8.47 8.42 3ippB1 GLN 241 HA 0.01 0.12 0.47 -0.75 4.36 4.20 3ippB1 GLN 241 HB2 -0.69 0.04 0.08 -0.04 2.15 1.54 3ippB1 GLN 241 HB3 -0.16 0.01 0.05 -0.04 2.02 1.88 3ippB1 GLN 241 HG2 -0.62 -0.04 -0.02 -0.04 2.40 1.68 3ippB1 GLN 241 HG3 -0.24 0.02 0.03 -0.04 2.39 2.16 3ippB1 GLN 241 HE21 -0.27 0.03 -0.08 -0.04 6.97 6.61 3ippB1 GLN 241 HE22 -0.89 0.05 0.00 -0.04 7.69 6.81 3ippB1 ILE 242 H -0.09 0.42 -0.32 -0.55 8.25 7.71 3ippB1 ILE 242 HA -0.03 0.01 0.54 -0.75 4.18 3.95 3ippB1 ILE 242 HB -0.08 0.11 0.14 -0.04 1.89 2.02 3ippB1 ILE 242 HG12 -0.14 -0.05 0.03 -0.04 1.49 1.28 3ippB1 ILE 242 HG13 -0.12 0.02 0.01 -0.04 1.21 1.08 3ippB1 ILE 242 HG23 -0.03 -0.01 -0.06 -0.04 0.93 0.79 3ippB1 ILE 242 HD13 -0.07 -0.00 -0.07 -0.04 0.88 0.70 3ippB1 MET 243 H -0.01 0.64 -0.07 -0.55 8.47 8.49 3ippB1 MET 243 HA 0.04 -0.05 0.50 -0.75 4.52 4.25 3ippB1 MET 243 HB2 0.03 0.16 0.10 -0.04 2.15 2.41 3ippB1 MET 243 HB3 0.08 -0.03 -0.04 -0.04 2.03 1.99 3ippB1 MET 243 HG2 0.01 -0.07 -0.04 -0.04 2.63 2.49 3ippB1 MET 243 HG3 -0.03 0.12 0.00 -0.04 2.56 2.62 3ippB1 MET 243 HE3 -0.08 -0.01 -0.15 -0.04 2.10 1.82 3ippB1 LEU 244 H 0.06 0.46 -0.20 -0.55 8.37 8.15 3ippB1 LEU 244 HA 0.11 0.26 0.44 -0.75 4.35 4.40 3ippB1 LEU 244 HB2 0.11 -0.02 0.17 -0.04 1.64 1.86 3ippB1 LEU 244 HB3 0.17 -0.00 -0.02 -0.04 1.64 1.74 3ippB1 LEU 244 HG 0.11 -0.01 -0.04 -0.04 1.64 1.66 3ippB1 LEU 244 HD13 0.26 -0.03 -0.08 -0.04 0.93 1.04 3ippB1 LEU 244 HD23 0.10 0.06 0.01 -0.04 0.89 1.03 3ippB1 TYR 245 H 0.15 0.60 -0.09 -0.55 8.29 8.40 3ippB1 TYR 245 HA 0.02 0.13 0.48 -0.75 4.56 4.43 3ippB1 TYR 245 HB2 -0.05 -0.04 0.02 -0.04 3.06 2.96 3ippB1 TYR 245 HB3 -0.05 0.11 0.20 -0.04 2.98 3.19 3ippB1 TYR 245 HD2 -0.02 0.09 -0.06 -0.04 7.15 7.11 3ippB1 TYR 245 HE2 -0.02 -0.01 -0.03 -0.04 6.85 6.75 3ippB1 ALA 246 H 0.13 0.60 -0.17 -0.55 8.40 8.42 3ippB1 ALA 246 HA -0.29 -0.09 0.39 -0.75 4.34 3.60 3ippB1 ALA 246 HB3 -0.10 -0.01 0.05 -0.04 1.41 1.31 3ippB1 GLY 247 H 0.10 0.55 -0.11 -0.55 8.43 8.43 3ippB1 GLY 247 HA2 0.11 0.09 0.10 -0.51 4.01 3.80 3ippB1 GLY 247 HA3 0.30 0.06 0.83 -0.51 4.01 4.69 3ippB1 VAL 248 H 0.27 0.27 0.10 -0.55 8.24 8.34 3ippB1 VAL 248 HA 0.17 0.11 0.67 -0.75 4.13 4.32 3ippB1 VAL 248 HB 0.14 -0.06 -0.15 -0.04 2.12 2.01 3ippB1 VAL 248 HG13 0.09 -0.01 -0.23 -0.04 0.97 0.79 3ippB1 VAL 248 HG23 0.31 -0.01 -0.10 -0.04 0.95 1.11 3ippB1 LYS 249 H 0.04 0.51 0.27 -0.55 8.42 8.69 3ippB1 LYS 249 HA 0.07 0.10 0.21 -0.75 4.32 3.94 3ippB1 LYS 249 HB2 0.07 0.00 0.05 -0.04 1.87 1.95 3ippB1 LYS 249 HB3 0.02 0.13 0.21 -0.04 1.79 2.11 3ippB1 LYS 249 HG2 0.03 -0.05 -0.02 -0.04 1.46 1.37 3ippB1 LYS 249 HG3 0.02 -0.01 -0.24 -0.04 1.46 1.19 3ippB1 LYS 249 HD2 0.02 -0.04 -0.07 -0.04 1.69 1.57 3ippB1 LYS 249 HD3 0.03 0.04 0.04 -0.04 1.68 1.76 3ippB1 LYS 249 HE2 0.05 -0.01 -0.01 -0.04 2.99 2.97 3ippB1 LYS 249 HE3 0.03 -0.04 -0.01 -0.04 2.99 2.93 3ippB1 ASP 250 H 0.04 0.19 -0.08 -0.55 8.40 8.01 3ippB1 ASP 250 HA 0.03 0.17 0.71 -0.75 4.63 4.79 3ippB1 ASP 250 HB2 0.04 -0.01 -0.05 -0.04 2.71 2.65 3ippB1 ASP 250 HB3 0.06 -0.02 0.09 -0.04 2.70 2.78 3ippB1 VAL 251 H 0.05 0.32 0.10 -0.55 8.24 8.16 3ippB1 VAL 251 HA 0.08 0.17 1.03 -0.75 4.13 4.66 3ippB1 VAL 251 HB 0.08 0.00 0.00 -0.04 2.12 2.16 3ippB1 VAL 251 HG13 0.06 -0.01 -0.05 -0.04 0.97 0.93 3ippB1 VAL 251 HG23 0.08 0.02 -0.35 -0.04 0.95 0.67 3ippB1 ARG 252 H 0.08 0.76 0.44 -0.55 8.46 9.19 3ippB1 ARG 252 HA 0.06 0.25 1.07 -0.75 4.34 4.97 3ippB1 ARG 252 HB2 0.08 -0.11 0.00 -0.04 1.90 1.83 3ippB1 ARG 252 HB3 0.04 0.08 0.07 -0.04 1.80 1.95 3ippB1 ARG 252 HG2 0.03 0.08 -0.25 -0.04 1.67 1.48 3ippB1 ARG 252 HG3 0.07 -0.09 -0.44 -0.04 1.67 1.17 3ippB1 ARG 252 HD2 0.01 -0.11 -0.12 -0.04 3.22 2.97 3ippB1 ARG 252 HD3 -0.04 0.45 -0.01 -0.04 3.22 3.58 3ippB1 LEU 253 H 0.09 0.71 0.41 -0.55 8.37 9.03 3ippB1 LEU 253 HA 0.10 0.34 1.10 -0.75 4.35 5.15 3ippB1 LEU 253 HB2 0.13 -0.02 0.06 -0.04 1.64 1.77 3ippB1 LEU 253 HB3 0.11 -0.06 -0.05 -0.04 1.64 1.61 3ippB1 LEU 253 HG 0.07 0.08 -0.19 -0.04 1.64 1.55 3ippB1 LEU 253 HD13 0.04 -0.03 -0.07 -0.04 0.93 0.82 3ippB1 LEU 253 HD23 0.04 0.02 -0.23 -0.04 0.89 0.67 3ippB1 LEU 254 H 0.17 0.54 0.15 -0.55 8.37 8.68 3ippB1 LEU 254 HA 0.11 0.13 0.58 -0.75 4.35 4.41 3ippB1 LEU 254 HB2 0.15 0.06 -0.06 -0.04 1.64 1.74 3ippB1 LEU 254 HB3 0.22 -0.16 0.13 -0.04 1.64 1.79 3ippB1 LEU 254 HG 0.14 0.04 -0.30 -0.04 1.64 1.48 3ippB1 LEU 254 HD13 0.14 0.05 -0.27 -0.04 0.93 0.81 3ippB1 LEU 254 HD23 0.07 -0.04 -0.22 -0.04 0.89 0.65 3ippB1 ASP 255 H 0.11 0.70 0.19 -0.55 8.40 8.85 3ippB1 ASP 255 HA 0.14 -0.05 0.40 -0.75 4.63 4.37 3ippB1 ASP 255 HB2 0.14 0.12 0.05 -0.04 2.71 2.98 3ippB1 ASP 255 HB3 0.10 0.02 0.12 -0.04 2.70 2.90 3ippB1 GLY 256 H 0.07 0.12 0.20 -0.55 8.43 8.28 3ippB1 GLY 256 HA2 -0.06 0.22 0.07 -0.51 4.01 3.72 3ippB1 GLY 256 HA3 0.00 0.09 0.32 -0.51 4.01 3.91 3ippB1 GLY 257 H 0.12 0.61 -0.44 -0.55 8.43 8.17 3ippB1 GLY 257 HA2 0.25 -0.02 0.37 -0.51 4.01 4.10 3ippB1 GLY 257 HA3 0.19 0.04 0.35 -0.51 4.01 4.08 3ippB1 TRP 258 H 0.53 0.70 0.21 -0.55 7.97 8.86 3ippB1 TRP 258 HA 0.12 0.04 0.28 -0.75 4.62 4.31 3ippB1 TRP 258 HB2 0.42 -0.03 -0.10 -0.04 3.23 3.48 3ippB1 TRP 258 HB3 0.21 -0.00 0.08 -0.04 3.23 3.48 3ippB1 TRP 258 HD1 0.13 -0.02 -0.08 -0.04 7.22 7.21 3ippB1 TRP 258 HE1 0.11 0.04 -0.08 -0.04 10.20 10.23 3ippB1 TRP 258 HE3 -0.10 -0.05 -0.05 -0.04 7.59 7.35 3ippB1 TRP 258 HZ2 0.11 0.04 -0.13 -0.04 7.44 7.42 3ippB1 TRP 258 HZ3 -0.20 0.01 -0.33 -0.04 7.13 6.57 3ippB1 TRP 258 HH2 0.11 0.10 -0.28 -0.04 7.19 7.07 3ippB1 GLN 259 H 0.21 0.19 -0.15 -0.55 8.47 8.18 3ippB1 GLN 259 HA -0.23 0.01 0.34 -0.75 4.36 3.73 3ippB1 GLN 259 HB2 0.12 -0.01 0.17 -0.04 2.15 2.38 3ippB1 GLN 259 HB3 0.01 0.15 0.08 -0.04 2.02 2.22 3ippB1 GLN 259 HG2 0.04 0.01 0.05 -0.04 2.40 2.46 3ippB1 GLN 259 HG3 -0.01 0.03 -0.00 -0.04 2.39 2.36 3ippB1 GLN 259 HE21 0.02 0.03 0.00 -0.04 6.97 6.98 3ippB1 GLN 259 HE22 -0.03 0.02 0.03 -0.04 7.69 7.67 3ippB1 THR 260 H -0.02 0.47 -0.42 -0.55 8.28 7.76 3ippB1 THR 260 HA -0.07 0.04 0.25 -0.75 4.39 3.85 3ippB1 THR 260 HB -0.01 -0.10 0.04 -0.04 4.32 4.22 3ippB1 THR 260 HG23 0.01 0.04 -0.01 -0.04 1.22 1.22 3ippB1 TRP 261 H -0.09 0.44 -0.21 -0.55 7.97 7.56 3ippB1 TRP 261 HA -0.23 0.02 0.52 -0.75 4.62 4.17 3ippB1 TRP 261 HB2 -0.26 -0.06 0.03 -0.04 3.23 2.91 3ippB1 TRP 261 HB3 -0.69 0.09 0.10 -0.04 3.23 2.69 3ippB1 TRP 261 HD1 -0.52 -0.00 -0.40 -0.04 7.22 6.26 3ippB1 TRP 261 HE1 -0.02 0.53 -0.18 -0.04 10.20 10.49 3ippB1 TRP 261 HE3 -0.10 -0.11 -0.03 -0.04 7.59 7.30 3ippB1 TRP 261 HZ2 0.04 0.15 -0.01 -0.04 7.44 7.58 3ippB1 TRP 261 HZ3 -0.02 -0.03 0.01 -0.04 7.13 7.05 3ippB1 TRP 261 HH2 0.10 0.03 -0.06 -0.04 7.19 7.21 3ippB1 SER 262 H -0.79 0.37 -0.06 -0.55 8.46 7.43 3ippB1 SER 262 HA -0.36 0.11 0.39 -0.75 4.49 3.87 3ippB1 SER 262 HB2 -1.25 -0.03 0.02 -0.04 3.95 2.65 3ippB1 SER 262 HB3 -0.44 0.08 0.13 -0.04 3.93 3.66 3ippB1 ASP 263 H -0.23 0.68 -0.01 -0.55 8.40 8.29 3ippB1 ASP 263 HA -0.11 0.04 0.41 -0.75 4.63 4.22 3ippB1 ASP 263 HB2 -0.11 0.02 0.11 -0.04 2.71 2.69 3ippB1 ASP 263 HB3 -0.08 -0.04 0.00 -0.04 2.70 2.54 3ippB1 ALA 264 H -0.27 0.27 -0.55 -0.55 8.40 7.30 3ippB1 ALA 264 HA -0.18 0.01 0.47 -0.75 4.34 3.88 3ippB1 ALA 264 HB3 -0.37 0.01 0.13 -0.04 1.41 1.14 3ippB1 GLY 265 H -0.27 0.32 -0.51 -0.55 8.43 7.44 3ippB1 GLY 265 HA2 -0.16 0.05 0.28 -0.51 4.01 3.68 3ippB1 GLY 265 HA3 -0.16 -0.03 0.30 -0.51 4.01 3.61 3ippB1 LEU 266 H -0.61 0.11 -0.27 -0.55 8.37 7.05 3ippB1 LEU 266 HA -0.43 0.07 0.46 -0.75 4.35 3.70 3ippB1 LEU 266 HB2 -1.90 -0.02 0.02 -0.04 1.64 -0.30 3ippB1 LEU 266 HB3 -0.96 0.05 0.06 -0.04 1.64 0.75 3ippB1 LEU 266 HG -0.71 0.05 -0.15 -0.04 1.64 0.79 3ippB1 LEU 266 HD13 -1.17 -0.03 -0.11 -0.04 0.93 -0.43 3ippB1 LEU 266 HD23 -0.84 -0.00 -0.02 -0.04 0.89 -0.01 3ippB1 PRO 267 HA 0.08 0.07 0.38 -0.51 4.44 4.46 3ippB1 PRO 267 HB2 0.19 0.02 -0.00 -0.04 2.28 2.45 3ippB1 PRO 267 HB3 0.09 0.02 0.12 -0.04 2.02 2.21 3ippB1 PRO 267 HG2 0.19 0.03 0.07 -0.04 2.03 2.29 3ippB1 PRO 267 HG3 0.02 0.04 0.09 -0.04 2.03 2.14 3ippB1 PRO 267 HD2 -0.07 0.07 0.16 -0.04 3.68 3.79 3ippB1 PRO 267 HD3 -0.32 0.10 0.22 -0.04 3.65 3.60 3ippB1 VAL 268 H 0.12 0.22 0.23 -0.55 8.24 8.26 3ippB1 VAL 268 HA 0.21 0.20 0.90 -0.75 4.13 4.69 3ippB1 VAL 268 HB 0.16 0.03 0.08 -0.04 2.12 2.35 3ippB1 VAL 268 HG13 0.46 0.02 -0.29 -0.04 0.97 1.11 3ippB1 VAL 268 HG23 0.11 -0.02 -0.08 -0.04 0.95 0.92 3ippB1 GLU 269 H -0.21 0.63 0.20 -0.55 8.60 8.68 3ippB1 GLU 269 HA -0.11 0.16 0.87 -0.75 4.29 4.45 3ippB1 GLU 269 HB2 -0.26 0.03 -0.02 -0.04 2.09 1.80 3ippB1 GLU 269 HB3 -0.12 0.04 0.13 -0.04 1.99 2.00 3ippB1 GLU 269 HG2 -0.01 0.05 0.04 -0.04 2.34 2.39 3ippB1 GLU 269 HG3 0.01 -0.06 -0.29 -0.04 2.34 1.96 3ippB1 ARG 270 H -0.16 0.20 0.18 -0.55 8.46 8.13 3ippB1 ARG 270 HA -0.18 0.24 0.41 -0.75 4.34 4.05 3ippB1 ARG 270 HB2 -0.06 -0.07 -0.14 -0.04 1.90 1.59 3ippB1 ARG 270 HB3 -0.03 -0.06 -0.03 -0.04 1.80 1.64 3ippB1 ARG 270 HG2 -0.01 -0.04 0.12 -0.04 1.67 1.71 3ippB1 ARG 270 HG3 -0.03 0.42 0.08 -0.04 1.67 2.10 3ippB1 ARG 270 HD2 0.00 -0.08 0.01 -0.04 3.22 3.11 3ippB1 ARG 270 HD3 0.00 -0.04 0.05 -0.04 3.22 3.20 3ippB1 GLY 271 H 0.02 0.54 0.18 -0.55 8.43 8.62 3ippB1 GLY 271 HA2 0.05 -0.04 0.33 -0.51 4.01 3.84 3ippB1 GLY 271 HA3 0.06 0.02 0.26 -0.51 4.01 3.84 3ippB1 THR 272 H 0.06 0.01 0.11 -0.55 8.28 7.91 3ippB1 THR 272 HA 0.09 0.03 0.25 -0.75 4.39 4.00 3ippB1 THR 272 HB 0.00 0.04 0.07 -0.04 4.32 4.39 3ippB1 THR 272 HG23 0.01 -0.03 0.03 -0.04 1.22 1.20 3ippB1 PRO 273 HA 0.20 0.19 0.38 -0.51 4.44 4.69 3ippB1 PRO 273 HB2 -0.03 0.03 0.04 -0.04 2.28 2.28 3ippB1 PRO 273 HB3 -0.06 -0.01 0.09 -0.04 2.02 1.99 3ippB1 PRO 273 HG2 -0.21 -0.03 0.06 -0.04 2.03 1.81 3ippB1 PRO 273 HG3 -0.62 0.00 0.02 -0.04 2.03 1.39 3ippB1 PRO 273 HD2 -0.06 0.04 0.16 -0.04 3.68 3.78 3ippB1 PRO 273 HD3 -0.06 0.06 0.15 -0.04 3.65 3.76 3ippB1 PRO 274 HA 0.04 -0.03 0.44 -0.51 4.44 4.39 3ippB1 PRO 274 HB2 0.04 0.11 -0.02 -0.04 2.28 2.38 3ippB1 PRO 274 HB3 0.04 -0.05 0.11 -0.04 2.02 2.08 3ippB1 PRO 274 HG2 0.09 0.01 0.04 -0.04 2.03 2.13 3ippB1 PRO 274 HG3 0.09 0.01 0.07 -0.04 2.03 2.16 3ippB1 PRO 274 HD2 0.13 0.13 0.15 -0.04 3.68 4.05 3ippB1 PRO 274 HD3 0.17 0.20 0.17 -0.04 3.65 4.15 3ippB1 LYS 275 H 0.01 0.01 0.14 -0.55 8.42 8.03 3ippB1 LYS 275 HA -0.02 0.05 0.54 -0.75 4.32 4.15 3ippB1 LYS 275 HB2 -0.01 -0.03 0.02 -0.04 1.87 1.81 3ippB1 LYS 275 HB3 -0.02 0.03 0.06 -0.04 1.79 1.82 3ippB1 LYS 275 HG2 -0.01 0.04 0.08 -0.04 1.46 1.53 3ippB1 LYS 275 HG3 -0.00 -0.03 0.10 -0.04 1.46 1.49 3ippB1 LYS 275 HD2 -0.01 0.01 0.01 -0.04 1.69 1.66 3ippB1 LYS 275 HD3 -0.01 -0.01 0.03 -0.04 1.68 1.65 3ippB1 LYS 275 HE2 -0.00 0.00 0.02 -0.04 2.99 2.97 3ippB1 LYS 275 HE3 -0.00 -0.01 0.01 -0.04 2.99 2.95 3ippB1 VAL 276 H -0.03 0.17 0.19 -0.55 8.24 8.02 3ippB1 VAL 276 HA -0.01 0.15 0.83 -0.75 4.13 4.35 3ippB1 VAL 276 HB -0.05 0.04 0.09 -0.04 2.12 2.16 3ippB1 VAL 276 HG13 0.01 0.04 -0.33 -0.04 0.97 0.65 3ippB1 VAL 276 HG23 0.03 0.03 -0.10 -0.04 0.95 0.87 3ippB1 LYS 277 H -0.01 0.15 0.07 -0.55 8.42 8.08 3ippB1 LYS 277 HA -0.01 -0.03 0.60 -0.75 4.32 4.13 3ippB1 LYS 277 HB2 -0.02 -0.05 0.11 -0.04 1.87 1.87 3ippB1 LYS 277 HB3 -0.01 0.03 0.14 -0.04 1.79 1.90 3ippB1 LYS 277 HG2 -0.01 0.06 -0.00 -0.04 1.46 1.46 3ippB1 LYS 277 HG3 -0.01 -0.09 0.03 -0.04 1.46 1.34 3ippB1 LYS 277 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.62 3ippB1 LYS 277 HD3 -0.01 0.09 -0.01 -0.04 1.68 1.72 3ippB1 LYS 277 HE2 -0.02 -0.03 0.02 -0.04 2.99 2.91 3ippB1 LYS 277 HE3 -0.02 -0.02 0.01 -0.04 2.99 2.93 3ippB1 ALA 278 H -0.02 0.03 0.17 -0.55 8.40 8.04 3ippB1 ALA 278 HA -0.01 0.20 0.40 -0.75 4.34 4.18 3ippB1 ALA 278 HB3 -0.01 -0.04 0.02 -0.04 1.41 1.34 3ippB1 GLU 279 H 0.03 0.28 0.21 -0.55 8.60 8.57 3ippB1 GLU 279 HA 0.02 0.36 1.26 -0.75 4.29 5.17 3ippB1 GLU 279 HB2 0.07 0.04 0.01 -0.04 2.09 2.17 3ippB1 GLU 279 HB3 0.07 -0.20 -0.14 -0.04 1.99 1.68 3ippB1 GLU 279 HG2 0.04 0.09 -0.25 -0.04 2.34 2.17 3ippB1 GLU 279 HG3 0.05 -0.03 -0.37 -0.04 2.34 1.95 3ippB1 PRO 280 HA 0.05 0.02 0.27 -0.51 4.44 4.27 3ippB1 PRO 280 HB2 0.02 0.01 0.18 -0.04 2.28 2.45 3ippB1 PRO 280 HB3 0.02 0.01 0.07 -0.04 2.02 2.07 3ippB1 PRO 280 HG2 0.02 0.01 -0.04 -0.04 2.03 1.98 3ippB1 PRO 280 HG3 0.01 0.03 -0.05 -0.04 2.03 1.97 3ippB1 PRO 280 HD2 0.02 0.08 0.28 -0.04 3.68 4.01 3ippB1 PRO 280 HD3 0.01 0.18 -0.45 -0.04 3.65 3.34 3ippB1 ASP 281 H 0.05 0.26 -0.35 -0.55 8.40 7.80 3ippB1 ASP 281 HA 0.07 0.18 1.05 -0.75 4.63 5.18 3ippB1 ASP 281 HB2 0.03 0.03 -0.03 -0.04 2.71 2.71 3ippB1 ASP 281 HB3 0.04 0.06 0.08 -0.04 2.70 2.84 3ippB1 PHE 282 H 0.21 0.21 -0.02 -0.55 8.34 8.19 3ippB1 PHE 282 HA 0.06 0.11 0.35 -0.75 4.62 4.39 3ippB1 PHE 282 HB2 0.02 0.03 0.09 -0.04 3.15 3.25 3ippB1 PHE 282 HB3 0.01 0.05 0.10 -0.04 3.06 3.17 3ippB1 PHE 282 HD2 0.03 0.17 -0.09 -0.04 7.28 7.35 3ippB1 PHE 282 HE2 0.04 0.10 -0.36 -0.04 7.38 7.12 3ippB1 PHE 282 HZ 0.06 -0.03 -0.55 -0.04 7.32 6.75 3ippB1 GLY 283 H 0.10 0.06 -0.17 -0.55 8.43 7.88 3ippB1 GLY 283 HA2 -0.02 0.00 0.22 -0.51 4.01 3.70 3ippB1 GLY 283 HA3 -0.02 0.15 0.50 -0.51 4.01 4.13 3ippB1 VAL 284 H 0.04 0.17 -0.25 -0.55 8.24 7.65 3ippB1 VAL 284 HA -0.11 0.13 0.38 -0.75 4.13 3.78 3ippB1 VAL 284 HB -0.05 0.01 0.13 -0.04 2.12 2.16 3ippB1 VAL 284 HG13 -0.49 0.01 -0.04 -0.04 0.97 0.41 3ippB1 VAL 284 HG23 0.11 0.02 -0.19 -0.04 0.95 0.86 3ippB1 LYS 285 H -0.01 0.15 0.08 -0.55 8.42 8.09 3ippB1 LYS 285 HA 0.03 0.01 0.58 -0.75 4.32 4.18 3ippB1 LYS 285 HB2 -0.00 -0.04 0.08 -0.04 1.87 1.86 3ippB1 LYS 285 HB3 -0.01 0.06 0.02 -0.04 1.79 1.83 3ippB1 LYS 285 HG2 -0.01 0.15 -0.14 -0.04 1.46 1.41 3ippB1 LYS 285 HG3 -0.00 -0.06 0.02 -0.04 1.46 1.37 3ippB1 LYS 285 HD2 -0.01 -0.02 -0.03 -0.04 1.69 1.59 3ippB1 LYS 285 HD3 -0.01 0.06 -0.11 -0.04 1.68 1.58 3ippB1 LYS 285 HE2 -0.00 -0.03 -0.01 -0.04 2.99 2.90 3ippB1 LYS 285 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 3ippB1 ILE 286 H -0.01 0.06 0.17 -0.55 8.25 7.92 3ippB1 ILE 286 HA -0.09 0.27 0.82 -0.75 4.18 4.42 3ippB1 ILE 286 HB -0.10 -0.11 0.15 -0.04 1.89 1.79 3ippB1 ILE 286 HG12 -0.48 0.18 -0.05 -0.04 1.49 1.10 3ippB1 ILE 286 HG13 -0.11 0.04 -0.09 -0.04 1.21 1.01 3ippB1 ILE 286 HG23 -0.15 -0.01 -0.06 -0.04 0.93 0.67 3ippB1 ILE 286 HD13 -0.45 -0.03 -0.01 -0.04 0.88 0.34 3ippB1 PRO 287 HA -0.28 0.22 0.56 -0.51 4.44 4.43 3ippB1 PRO 287 HB2 -0.69 0.03 -0.12 -0.04 2.28 1.46 3ippB1 PRO 287 HB3 -1.20 -0.03 -0.03 -0.04 2.02 0.73 3ippB1 PRO 287 HG2 -0.13 0.01 0.10 -0.04 2.03 1.98 3ippB1 PRO 287 HG3 -0.06 -0.05 0.08 -0.04 2.03 1.97 3ippB1 PRO 287 HD2 -0.07 0.06 0.15 -0.04 3.68 3.78 3ippB1 PRO 287 HD3 -0.05 0.04 0.51 -0.04 3.65 4.11 3ippB1 ALA 288 H -0.09 0.45 0.09 -0.55 8.40 8.31 3ippB1 ALA 288 HA -0.03 0.10 0.80 -0.75 4.34 4.45 3ippB1 ALA 288 HB3 0.04 -0.00 0.12 -0.04 1.41 1.52 3ippB1 GLN 289 H -0.18 0.45 -0.12 -0.55 8.47 8.07 3ippB1 GLN 289 HA 0.00 0.19 0.83 -0.75 4.36 4.63 3ippB1 GLN 289 HB2 0.03 0.13 0.19 -0.04 2.15 2.46 3ippB1 GLN 289 HB3 0.07 -0.10 0.13 -0.04 2.02 2.08 3ippB1 GLN 289 HG2 0.03 -0.09 -0.39 -0.04 2.40 1.91 3ippB1 GLN 289 HG3 0.07 0.07 -0.06 -0.04 2.39 2.43 3ippB1 GLN 289 HE21 0.04 -0.06 0.00 -0.04 6.97 6.91 3ippB1 GLN 289 HE22 0.05 -0.02 -0.10 -0.04 7.69 7.57 3ippB1 PRO 290 HA 0.11 0.05 0.20 -0.51 4.44 4.29 3ippB1 PRO 290 HB2 0.10 -0.00 -0.02 -0.04 2.28 2.32 3ippB1 PRO 290 HB3 0.02 0.02 0.07 -0.04 2.02 2.09 3ippB1 PRO 290 HG2 0.03 -0.00 -0.01 -0.04 2.03 2.01 3ippB1 PRO 290 HG3 -0.01 0.07 0.01 -0.04 2.03 2.07 3ippB1 PRO 290 HD2 -0.00 0.14 -0.05 -0.04 3.68 3.72 3ippB1 PRO 290 HD3 -0.07 0.27 -0.33 -0.04 3.65 3.48 3ippB1 GLN 291 H 0.07 0.14 -0.36 -0.55 8.47 7.78 3ippB1 GLN 291 HA 0.10 0.08 0.42 -0.75 4.36 4.21 3ippB1 GLN 291 HB2 0.08 0.00 0.06 -0.04 2.15 2.24 3ippB1 GLN 291 HB3 0.07 -0.03 0.04 -0.04 2.02 2.05 3ippB1 GLN 291 HG2 0.11 0.09 -0.28 -0.04 2.40 2.28 3ippB1 GLN 291 HG3 0.08 0.00 -0.05 -0.04 2.39 2.38 3ippB1 GLN 291 HE21 0.07 0.04 0.01 -0.04 6.97 7.05 3ippB1 GLN 291 HE22 0.10 0.05 -0.05 -0.04 7.69 7.75 3ippB1 LEU 292 H 0.17 0.46 -0.35 -0.55 8.37 8.10 3ippB1 LEU 292 HA 0.19 0.22 0.59 -0.75 4.35 4.59 3ippB1 LEU 292 HB2 0.15 0.01 0.02 -0.04 1.64 1.77 3ippB1 LEU 292 HB3 0.01 -0.10 0.12 -0.04 1.64 1.63 3ippB1 LEU 292 HG 0.15 0.06 0.03 -0.04 1.64 1.84 3ippB1 LEU 292 HD13 0.20 -0.01 -0.20 -0.04 0.93 0.89 3ippB1 LEU 292 HD23 0.30 0.01 -0.03 -0.04 0.89 1.12 3ippB1 MET 293 H 0.16 0.46 -0.24 -0.55 8.47 8.30 3ippB1 MET 293 HA 0.01 0.20 0.96 -0.75 4.52 4.94 3ippB1 MET 293 HB2 -0.21 -0.02 -0.03 -0.04 2.15 1.85 3ippB1 MET 293 HB3 -0.14 0.00 0.08 -0.04 2.03 1.94 3ippB1 MET 293 HG2 -0.21 -0.09 -0.00 -0.04 2.63 2.29 3ippB1 MET 293 HG3 -0.03 0.08 0.07 -0.04 2.56 2.64 3ippB1 MET 293 HE3 -0.25 -0.01 -0.01 -0.04 2.10 1.78 3ippB1 LEU 294 H 0.11 0.64 0.31 -0.55 8.37 8.89 3ippB1 LEU 294 HA 0.08 0.19 0.92 -0.75 4.35 4.80 3ippB1 LEU 294 HB2 0.17 -0.10 -0.03 -0.04 1.64 1.64 3ippB1 LEU 294 HB3 0.06 -0.04 0.01 -0.04 1.64 1.62 3ippB1 LEU 294 HG 0.10 0.01 -0.33 -0.04 1.64 1.38 3ippB1 LEU 294 HD13 0.03 -0.00 -0.31 -0.04 0.93 0.61 3ippB1 LEU 294 HD23 0.07 0.05 -0.28 -0.04 0.89 0.68 3ippB1 ASP 295 H 0.07 0.15 0.15 -0.55 8.40 8.22 3ippB1 ASP 295 HA 0.20 0.19 0.85 -0.75 4.63 5.11 3ippB1 ASP 295 HB2 0.07 -0.10 0.21 -0.04 2.71 2.85 3ippB1 ASP 295 HB3 0.06 0.14 0.10 -0.04 2.70 2.95 3ippB1 MET 296 H 0.12 0.20 0.12 -0.55 8.47 8.36 3ippB1 MET 296 HA -0.19 0.11 0.26 -0.75 4.52 3.95 3ippB1 MET 296 HB2 0.18 -0.00 0.07 -0.04 2.15 2.36 3ippB1 MET 296 HB3 0.02 -0.00 0.10 -0.04 2.03 2.11 3ippB1 MET 296 HG2 -0.07 0.05 -0.19 -0.04 2.63 2.38 3ippB1 MET 296 HG3 0.23 0.00 -0.02 -0.04 2.56 2.73 3ippB1 MET 296 HE3 -0.16 -0.00 -0.04 -0.04 2.10 1.85 3ippB1 GLU 297 H -0.00 0.07 -0.06 -0.55 8.60 8.06 3ippB1 GLU 297 HA -0.01 0.14 0.37 -0.75 4.29 4.03 3ippB1 GLU 297 HB2 0.00 -0.08 0.04 -0.04 2.09 2.01 3ippB1 GLU 297 HB3 -0.00 0.11 -0.04 -0.04 1.99 2.02 3ippB1 GLU 297 HG2 -0.01 0.05 0.02 -0.04 2.34 2.35 3ippB1 GLU 297 HG3 -0.02 0.08 0.02 -0.04 2.34 2.38 3ippB1 GLN 298 H -0.01 -0.03 -0.35 -0.55 8.47 7.53 3ippB1 GLN 298 HA 0.00 0.12 0.24 -0.75 4.36 3.97 3ippB1 GLN 298 HB2 0.01 -0.09 0.11 -0.04 2.15 2.15 3ippB1 GLN 298 HB3 0.02 0.13 -0.02 -0.04 2.02 2.10 3ippB1 GLN 298 HG2 0.02 0.10 -0.01 -0.04 2.40 2.47 3ippB1 GLN 298 HG3 0.02 -0.14 0.00 -0.04 2.39 2.23 3ippB1 GLN 298 HE21 0.05 0.09 0.00 -0.04 6.97 7.08 3ippB1 GLN 298 HE22 0.04 0.02 -0.01 -0.04 7.69 7.69 3ippB1 ALA 299 H -0.15 0.44 -0.21 -0.55 8.40 7.94 3ippB1 ALA 299 HA -0.12 0.06 0.24 -0.75 4.34 3.76 3ippB1 ALA 299 HB3 -0.67 -0.02 -0.03 -0.04 1.41 0.66 3ippB1 ARG 300 H -0.02 0.62 -0.11 -0.55 8.46 8.40 3ippB1 ARG 300 HA 0.13 0.02 0.38 -0.75 4.34 4.12 3ippB1 ARG 300 HB2 0.22 -0.02 0.09 -0.04 1.90 2.14 3ippB1 ARG 300 HB3 0.07 0.10 0.09 -0.04 1.80 2.02 3ippB1 ARG 300 HG2 0.15 0.04 -0.12 -0.04 1.67 1.70 3ippB1 ARG 300 HG3 0.38 -0.01 0.03 -0.04 1.67 2.03 3ippB1 ARG 300 HD2 0.04 0.00 -0.07 -0.04 3.22 3.15 3ippB1 ARG 300 HD3 0.05 0.01 -0.03 -0.04 3.22 3.20 3ippB1 GLY 301 H 0.01 0.37 -0.32 -0.55 8.43 7.94 3ippB1 GLY 301 HA2 0.04 0.01 0.36 -0.51 4.01 3.91 3ippB1 GLY 301 HA3 0.02 -0.03 0.27 -0.51 4.01 3.76 3ippB1 LEU 302 H -0.02 0.42 -0.69 -0.55 8.37 7.53 3ippB1 LEU 302 HA -0.00 0.13 0.72 -0.75 4.35 4.44 3ippB1 LEU 302 HB2 -0.05 0.02 -0.13 -0.04 1.64 1.44 3ippB1 LEU 302 HB3 -0.02 -0.08 -0.17 -0.04 1.64 1.33 3ippB1 LEU 302 HG -0.03 0.11 -0.10 -0.04 1.64 1.58 3ippB1 LEU 302 HD13 -0.02 -0.02 -0.18 -0.04 0.93 0.67 3ippB1 LEU 302 HD23 0.00 -0.00 -0.19 -0.04 0.89 0.66 3ippB1 LEU 303 H -0.02 0.40 -0.18 -0.55 8.37 8.03 3ippB1 LEU 303 HA -0.16 0.04 0.33 -0.75 4.35 3.81 3ippB1 LEU 303 HB2 -0.01 0.10 0.11 -0.04 1.64 1.81 3ippB1 LEU 303 HB3 -0.53 -0.02 0.05 -0.04 1.64 1.09 3ippB1 LEU 303 HG -0.11 -0.00 0.04 -0.04 1.64 1.53 3ippB1 LEU 303 HD13 -0.01 -0.01 0.02 -0.04 0.93 0.89 3ippB1 LEU 303 HD23 -0.20 -0.03 -0.19 -0.04 0.89 0.44 3ippB1 HIS 304 H -0.40 0.19 0.20 -0.55 8.41 7.86 3ippB1 HIS 304 HA 0.06 0.16 0.34 -0.75 4.63 4.43 3ippB1 HIS 304 HB2 0.04 0.08 -0.09 -0.04 3.26 3.26 3ippB1 HIS 304 HB3 0.05 -0.02 0.13 -0.04 3.20 3.32 3ippB1 HIS 304 HD2 0.06 0.02 -0.17 -0.04 6.97 6.84 3ippB1 HIS 304 HE1 0.07 -0.02 -0.09 -0.04 7.75 7.67 3ippB1 ARG 305 H 0.03 0.27 0.03 -0.55 8.46 8.24 3ippB1 ARG 305 HA 0.06 0.08 0.95 -0.75 4.34 4.68 3ippB1 ARG 305 HB2 0.02 0.28 -0.06 -0.04 1.90 2.11 3ippB1 ARG 305 HB3 0.03 -0.36 0.03 -0.04 1.80 1.46 3ippB1 ARG 305 HG2 0.04 -0.13 -0.04 -0.04 1.67 1.50 3ippB1 ARG 305 HG3 0.06 0.24 -0.54 -0.04 1.67 1.39 3ippB1 ARG 305 HD2 0.03 0.04 -0.07 -0.04 3.22 3.19 3ippB1 ARG 305 HD3 0.02 0.06 -0.16 -0.04 3.22 3.10 3ippB1 GLN 306 H 0.04 0.10 0.20 -0.55 8.47 8.27 3ippB1 GLN 306 HA 0.04 0.24 0.80 -0.75 4.36 4.69 3ippB1 GLN 306 HB2 0.03 -0.04 0.12 -0.04 2.15 2.22 3ippB1 GLN 306 HB3 0.03 -0.01 0.06 -0.04 2.02 2.06 3ippB1 GLN 306 HG2 0.04 0.02 0.01 -0.04 2.40 2.43 3ippB1 GLN 306 HG3 0.03 -0.04 0.03 -0.04 2.39 2.37 3ippB1 GLN 306 HE21 0.06 0.02 -0.04 -0.04 6.97 6.97 3ippB1 GLN 306 HE22 0.06 0.01 -0.11 -0.04 7.69 7.61 3ippB1 ASP 307 H 0.02 0.07 0.02 -0.55 8.40 7.97 3ippB1 ASP 307 HA 0.00 0.20 0.71 -0.75 4.63 4.79 3ippB1 ASP 307 HB2 0.00 0.04 0.17 -0.04 2.71 2.88 3ippB1 ASP 307 HB3 0.01 -0.04 0.01 -0.04 2.70 2.64 3ippB1 ALA 308 H 0.02 0.31 -0.41 -0.55 8.40 7.77 3ippB1 ALA 308 HA 0.00 0.14 0.76 -0.75 4.34 4.50 3ippB1 ALA 308 HB3 0.01 0.01 -0.03 -0.04 1.41 1.36 3ippB1 SER 309 H -0.03 0.61 0.36 -0.55 8.46 8.86 3ippB1 SER 309 HA 0.00 0.25 0.88 -0.75 4.49 4.87 3ippB1 SER 309 HB2 -0.04 -0.13 -0.01 -0.04 3.95 3.72 3ippB1 SER 309 HB3 -0.02 -0.05 -0.11 -0.04 3.93 3.71 3ippB1 LEU 310 H -0.01 0.31 0.11 -0.55 8.37 8.24 3ippB1 LEU 310 HA -0.00 0.15 0.87 -0.75 4.35 4.61 3ippB1 LEU 310 HB2 -0.07 0.10 -0.03 -0.04 1.64 1.60 3ippB1 LEU 310 HB3 -0.05 0.01 0.08 -0.04 1.64 1.65 3ippB1 LEU 310 HG 0.18 -0.06 -0.22 -0.04 1.64 1.50 3ippB1 LEU 310 HD13 0.04 0.01 -0.07 -0.04 0.93 0.87 3ippB1 LEU 310 HD23 -0.40 0.03 -0.19 -0.04 0.89 0.29 3ippB1 VAL 311 H -0.02 0.78 0.29 -0.55 8.24 8.74 3ippB1 VAL 311 HA -0.02 0.30 0.77 -0.75 4.13 4.42 3ippB1 VAL 311 HB -0.30 -0.08 0.04 -0.04 2.12 1.74 3ippB1 VAL 311 HG13 -0.16 0.00 -0.29 -0.04 0.97 0.48 3ippB1 VAL 311 HG23 -0.35 0.03 -0.26 -0.04 0.95 0.34 3ippB1 SER 312 H -0.01 0.71 0.25 -0.55 8.46 8.87 3ippB1 SER 312 HA -0.85 0.07 0.71 -0.75 4.49 3.68 3ippB1 SER 312 HB2 0.15 0.06 -0.03 -0.04 3.95 4.09 3ippB1 SER 312 HB3 0.24 0.02 0.08 -0.04 3.93 4.23 3ippB1 ILE 313 H -0.27 0.65 0.30 -0.55 8.25 8.38 3ippB1 ILE 313 HA 0.03 0.42 0.75 -0.75 4.18 4.63 3ippB1 ILE 313 HB -0.00 -0.15 0.05 -0.04 1.89 1.75 3ippB1 ILE 313 HG12 0.10 0.06 -0.07 -0.04 1.49 1.54 3ippB1 ILE 313 HG13 -0.04 -0.07 -0.06 -0.04 1.21 0.99 3ippB1 ILE 313 HG23 -0.01 0.04 -0.07 -0.04 0.93 0.85 3ippB1 ILE 313 HD13 0.21 0.05 -0.17 -0.04 0.88 0.92 3ippB1 ARG 314 H 0.18 0.42 -0.39 -0.55 8.46 8.11 3ippB1 ARG 314 HA 0.12 0.05 0.74 -0.75 4.34 4.49 3ippB1 ARG 314 HB2 0.12 0.10 -0.12 -0.04 1.90 1.96 3ippB1 ARG 314 HB3 0.05 -0.03 0.03 -0.04 1.80 1.80 3ippB1 ARG 314 HG2 0.10 -0.11 -0.10 -0.04 1.67 1.52 3ippB1 ARG 314 HG3 -0.04 -0.08 -0.47 -0.04 1.67 1.04 3ippB1 ARG 314 HD2 0.20 -0.02 -0.21 -0.04 3.22 3.15 3ippB1 ARG 314 HD3 0.01 0.09 -0.15 -0.04 3.22 3.13 3ippB1 SER 315 H 0.11 0.06 0.01 -0.55 8.46 8.09 3ippB1 SER 315 HA 0.35 0.13 0.51 -0.75 4.49 4.72 3ippB1 SER 315 HB2 0.14 0.17 -0.01 -0.04 3.95 4.21 3ippB1 SER 315 HB3 0.11 0.02 -0.18 -0.04 3.93 3.84 3ippB1 TRP 316 H 0.39 0.19 0.14 -0.55 7.97 8.15 3ippB1 TRP 316 HA -0.70 0.12 0.40 -0.75 4.62 3.69 3ippB1 TRP 316 HB2 -0.46 0.02 0.12 -0.04 3.23 2.87 3ippB1 TRP 316 HB3 -0.16 0.03 0.11 -0.04 3.23 3.16 3ippB1 TRP 316 HD1 -0.14 -0.01 -0.12 -0.04 7.22 6.91 3ippB1 TRP 316 HE1 -0.11 0.00 -0.05 -0.04 10.20 10.00 3ippB1 TRP 316 HE3 -3.30 -0.05 -0.00 -0.04 7.59 4.20 3ippB1 TRP 316 HZ2 -0.03 -0.06 0.04 -0.04 7.44 7.34 3ippB1 TRP 316 HZ3 -0.94 0.04 0.01 -0.04 7.13 6.20 3ippB1 TRP 316 HH2 0.19 0.34 0.13 -0.04 7.19 7.82 3ippB1 PRO 317 HA -0.23 0.10 0.50 -0.51 4.44 4.30 3ippB1 PRO 317 HB2 -0.05 -0.02 -0.03 -0.04 2.28 2.14 3ippB1 PRO 317 HB3 -0.05 0.06 0.04 -0.04 2.02 2.02 3ippB1 PRO 317 HG2 0.04 0.11 0.07 -0.04 2.03 2.21 3ippB1 PRO 317 HG3 0.08 0.07 0.03 -0.04 2.03 2.17 3ippB1 PRO 317 HD2 0.08 0.05 0.02 -0.04 3.68 3.79 3ippB1 PRO 317 HD3 0.21 0.09 0.14 -0.04 3.65 4.05 3ippB1 GLU 318 H -0.09 0.06 -0.46 -0.55 8.60 7.57 3ippB1 GLU 318 HA -0.20 0.35 0.61 -0.75 4.29 4.29 3ippB1 GLU 318 HB2 -0.06 0.01 0.02 -0.04 2.09 2.02 3ippB1 GLU 318 HB3 -0.18 0.12 -0.01 -0.04 1.99 1.88 3ippB1 GLU 318 HG2 -0.11 0.15 -0.38 -0.04 2.34 1.96 3ippB1 GLU 318 HG3 -0.08 -0.14 -0.11 -0.04 2.34 1.96 3ippB1 PHE 319 H -0.19 0.49 -0.13 -0.55 8.34 7.95 3ippB1 PHE 319 HA -0.42 0.02 0.15 -0.75 4.62 3.61 3ippB1 PHE 319 HB2 -0.50 -0.03 -0.05 -0.04 3.15 2.53 3ippB1 PHE 319 HB3 -1.17 0.02 0.06 -0.04 3.06 1.93 3ippB1 PHE 319 HD2 -0.81 -0.05 -0.16 -0.04 7.28 6.22 3ippB1 PHE 319 HE2 -0.10 0.04 -0.24 -0.04 7.38 7.05 3ippB1 PHE 319 HZ -0.12 0.14 -0.08 -0.04 7.32 7.22 3ippB1 ILE 320 H -0.60 0.30 -0.39 -0.55 8.25 7.02 3ippB1 ILE 320 HA -0.57 0.33 0.69 -0.75 4.18 3.88 3ippB1 ILE 320 HB -0.36 -0.17 -0.03 -0.04 1.89 1.29 3ippB1 ILE 320 HG12 -0.75 0.13 -0.07 -0.04 1.49 0.76 3ippB1 ILE 320 HG13 -0.35 -0.07 -0.10 -0.04 1.21 0.65 3ippB1 ILE 320 HG23 -1.15 0.07 -0.24 -0.04 0.93 -0.43 3ippB1 ILE 320 HD13 -0.13 -0.02 -0.07 -0.04 0.88 0.63 3ippB1 GLY 321 H -0.35 0.37 -0.20 -0.55 8.43 7.71 3ippB1 GLY 321 HA2 -0.23 0.01 0.21 -0.51 4.01 3.49 3ippB1 GLY 321 HA3 -0.19 0.11 0.49 -0.51 4.01 3.92 3ippB1 THR 322 H -0.20 0.29 0.05 -0.55 8.28 7.88 3ippB1 THR 322 HA -0.08 0.09 0.44 -0.75 4.39 4.09 3ippB1 THR 322 HB -0.10 -0.06 0.07 -0.04 4.32 4.18 3ippB1 THR 322 HG23 -0.04 -0.01 -0.08 -0.04 1.22 1.04 3ippB1 THR 323 H -0.12 0.36 -0.10 -0.55 8.28 7.87 3ippB1 THR 323 HA -0.04 0.23 0.62 -0.75 4.39 4.44 3ippB1 THR 323 HB -0.05 0.13 -0.15 -0.04 4.32 4.20 3ippB1 THR 323 HG23 -0.08 -0.03 -0.25 -0.04 1.22 0.82 3ippB1 SER 324 H -0.00 0.22 0.10 -0.55 8.46 8.22 3ippB1 SER 324 HA 0.03 0.17 0.68 -0.75 4.49 4.61 3ippB1 SER 324 HB2 0.26 0.07 -0.03 -0.04 3.95 4.21 3ippB1 SER 324 HB3 0.12 0.19 -0.04 -0.04 3.93 4.16 3ippB1 GLY 325 H -0.07 0.10 -0.10 -0.55 8.43 7.81 3ippB1 GLY 325 HA2 -0.22 -0.08 0.27 -0.51 4.01 3.47 3ippB1 GLY 325 HA3 -0.29 0.17 0.72 -0.51 4.01 4.11 3ippB1 TYR 326 H -0.01 0.34 -0.18 -0.55 8.29 7.89 3ippB1 TYR 326 HA -0.25 0.15 0.96 -0.75 4.56 4.66 3ippB1 TYR 326 HB2 -0.56 0.05 -0.00 -0.04 3.06 2.51 3ippB1 TYR 326 HB3 -1.12 -0.07 -0.00 -0.04 2.98 1.75 3ippB1 TYR 326 HD2 -0.21 0.11 -0.08 -0.04 7.15 6.93 3ippB1 TYR 326 HE2 -0.11 0.01 0.05 -0.04 6.85 6.76 3ippB1 SER 327 H -0.09 0.15 0.14 -0.55 8.46 8.12 3ippB1 SER 327 HA -0.03 0.14 0.37 -0.75 4.49 4.21 3ippB1 SER 327 HB2 0.02 0.07 0.08 -0.04 3.95 4.08 3ippB1 SER 327 HB3 -0.02 -0.00 0.10 -0.04 3.93 3.97 3ippB1 TYR 328 H -0.41 -0.10 -0.33 -0.55 8.29 6.90 3ippB1 TYR 328 HA -0.00 0.24 0.63 -0.75 4.56 4.67 3ippB1 TYR 328 HB2 -0.03 0.06 0.07 -0.04 3.06 3.12 3ippB1 TYR 328 HB3 -0.04 -0.02 -0.05 -0.04 2.98 2.83 3ippB1 TYR 328 HD2 -0.25 0.02 -0.14 -0.04 7.15 6.73 3ippB1 TYR 328 HE2 -0.61 0.01 -0.07 -0.04 6.85 6.15 3ippB1 ILE 329 H -0.38 0.05 -0.28 -0.55 8.25 7.09 3ippB1 ILE 329 HA -0.02 0.17 0.91 -0.75 4.18 4.49 3ippB1 ILE 329 HB 0.05 -0.07 0.03 -0.04 1.89 1.86 3ippB1 ILE 329 HG12 -0.61 0.10 -0.06 -0.04 1.49 0.87 3ippB1 ILE 329 HG13 -0.94 -0.20 -0.12 -0.04 1.21 -0.09 3ippB1 ILE 329 HG23 0.19 0.06 -0.15 -0.04 0.93 0.99 3ippB1 ILE 329 HD13 -0.31 -0.00 -0.05 -0.04 0.88 0.47 3ippB1 LYS 330 H 0.08 0.14 0.03 -0.55 8.42 8.11 3ippB1 LYS 330 HA 0.06 0.12 0.58 -0.75 4.32 4.33 3ippB1 LYS 330 HB2 0.06 -0.00 0.10 -0.04 1.87 1.99 3ippB1 LYS 330 HB3 0.06 0.00 -0.02 -0.04 1.79 1.79 3ippB1 LYS 330 HG2 0.04 -0.02 -0.01 -0.04 1.46 1.42 3ippB1 LYS 330 HG3 0.04 -0.01 -0.01 -0.04 1.46 1.44 3ippB1 LYS 330 HD2 0.05 -0.07 -0.49 -0.04 1.69 1.14 3ippB1 LYS 330 HD3 0.06 -0.01 -0.08 -0.04 1.68 1.61 3ippB1 LYS 330 HE2 0.05 -0.04 0.00 -0.04 2.99 2.96 3ippB1 LYS 330 HE3 0.03 -0.06 -0.02 -0.04 2.99 2.91 3ippB1 PRO 331 HA 0.15 0.03 0.22 -0.51 4.44 4.33 3ippB1 PRO 331 HB2 0.17 0.03 -0.13 -0.04 2.28 2.31 3ippB1 PRO 331 HB3 0.12 0.07 0.03 -0.04 2.02 2.20 3ippB1 PRO 331 HG2 -0.11 0.14 -0.07 -0.04 2.03 1.95 3ippB1 PRO 331 HG3 0.01 0.03 0.04 -0.04 2.03 2.07 3ippB1 PRO 331 HD2 0.06 0.06 -0.02 -0.04 3.68 3.74 3ippB1 PRO 331 HD3 0.06 -0.04 0.18 -0.04 3.65 3.81 3ippB1 LYS 332 H 0.22 0.19 0.17 -0.55 8.42 8.44 3ippB1 LYS 332 HA 0.12 0.08 0.68 -0.75 4.32 4.45 3ippB1 LYS 332 HB2 0.06 -0.04 0.07 -0.04 1.87 1.92 3ippB1 LYS 332 HB3 -0.02 0.11 -0.14 -0.04 1.79 1.69 3ippB1 LYS 332 HG2 -0.00 -0.23 -0.37 -0.04 1.46 0.82 3ippB1 LYS 332 HG3 0.06 0.12 -0.18 -0.04 1.46 1.42 3ippB1 LYS 332 HD2 0.02 -0.04 -0.03 -0.04 1.69 1.59 3ippB1 LYS 332 HD3 -0.01 0.22 -0.10 -0.04 1.68 1.74 3ippB1 LYS 332 HE2 -0.01 0.06 -0.04 -0.04 2.99 2.95 3ippB1 LYS 332 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.92 3ippB1 GLY 333 H -0.38 0.26 0.16 -0.55 8.43 7.93 3ippB1 GLY 333 HA2 -0.31 0.01 0.24 -0.51 4.01 3.43 3ippB1 GLY 333 HA3 -0.11 0.17 0.82 -0.51 4.01 4.38 3ippB1 GLU 334 H -0.31 0.50 0.28 -0.55 8.60 8.52 3ippB1 GLU 334 HA -0.85 0.04 0.80 -0.75 4.29 3.51 3ippB1 GLU 334 HB2 -0.72 0.14 -0.18 -0.04 2.09 1.28 3ippB1 GLU 334 HB3 -0.60 0.04 -0.06 -0.04 1.99 1.33 3ippB1 GLU 334 HG2 -0.97 0.01 -0.07 -0.04 2.34 1.27 3ippB1 GLU 334 HG3 -0.25 0.11 -0.08 -0.04 2.34 2.08 3ippB1 ILE 335 H -0.06 0.04 0.04 -0.55 8.25 7.71 3ippB1 ILE 335 HA -0.20 0.20 0.54 -0.75 4.18 3.97 3ippB1 ILE 335 HB -0.38 -0.07 0.03 -0.04 1.89 1.42 3ippB1 ILE 335 HG12 -1.75 0.09 -0.06 -0.04 1.49 -0.26 3ippB1 ILE 335 HG13 -0.14 -0.09 -0.02 -0.04 1.21 0.92 3ippB1 ILE 335 HG23 -1.26 0.04 -0.19 -0.04 0.93 -0.51 3ippB1 ILE 335 HD13 -1.14 -0.01 -0.17 -0.04 0.88 -0.47 3ippB1 ALA 336 H 0.18 0.43 0.06 -0.55 8.40 8.52 3ippB1 ALA 336 HA 0.02 -0.00 0.27 -0.75 4.34 3.88 3ippB1 ALA 336 HB3 0.18 0.00 -0.19 -0.04 1.41 1.35 3ippB1 GLY 337 H 0.06 0.16 0.17 -0.55 8.43 8.27 3ippB1 GLY 337 HA2 0.10 0.04 0.37 -0.51 4.01 4.01 3ippB1 GLY 337 HA3 -0.15 0.07 0.51 -0.51 4.01 3.93 3ippB1 ALA 338 H -0.02 0.40 -0.26 -0.55 8.40 7.98 3ippB1 ALA 338 HA 0.05 0.17 0.64 -0.75 4.34 4.45 3ippB1 ALA 338 HB3 0.13 -0.06 -0.03 -0.04 1.41 1.41 3ippB1 ARG 339 H 0.12 0.53 0.37 -0.55 8.46 8.93 3ippB1 ARG 339 HA 0.30 0.11 0.80 -0.75 4.34 4.79 3ippB1 ARG 339 HB2 0.13 -0.11 0.03 -0.04 1.90 1.90 3ippB1 ARG 339 HB3 0.41 0.14 0.04 -0.04 1.80 2.34 3ippB1 ARG 339 HG2 0.47 -0.01 0.03 -0.04 1.67 2.12 3ippB1 ARG 339 HG3 0.22 -0.01 -0.05 -0.04 1.67 1.79 3ippB1 ARG 339 HD2 0.12 -0.17 0.06 -0.04 3.22 3.20 3ippB1 ARG 339 HD3 0.24 0.22 -0.03 -0.04 3.22 3.61 3ippB1 TRP 340 H -1.53 0.18 0.13 -0.55 7.97 6.20 3ippB1 TRP 340 HA -0.72 0.03 0.63 -0.75 4.62 3.81 3ippB1 TRP 340 HB2 -2.63 0.06 0.11 -0.04 3.23 0.73 3ippB1 TRP 340 HB3 -2.38 0.04 0.14 -0.04 3.23 0.99 3ippB1 TRP 340 HD1 -0.52 0.03 0.07 -0.04 7.22 6.76 3ippB1 TRP 340 HE1 -0.09 0.56 -0.08 -0.04 10.20 10.54 3ippB1 TRP 340 HE3 -0.39 0.10 -0.02 -0.04 7.59 7.24 3ippB1 TRP 340 HZ2 -0.01 -0.16 0.00 -0.04 7.44 7.23 3ippB1 TRP 340 HZ3 -0.66 0.06 -0.01 -0.04 7.13 6.47 3ippB1 TRP 340 HH2 -0.35 -0.02 -0.01 -0.04 7.19 6.77 3ippB1 GLY 341 H -0.33 0.73 0.32 -0.55 8.43 8.61 3ippB1 GLY 341 HA2 0.03 0.19 0.65 -0.51 4.01 4.37 3ippB1 GLY 341 HA3 0.02 -0.05 0.23 -0.51 4.01 3.70 3ippB1 HIS 342 H -2.27 0.00 -0.30 -0.55 8.41 5.30 3ippB1 HIS 342 HA -2.06 -0.05 0.23 -0.75 4.63 2.00 3ippB1 HIS 342 HB2 -0.59 0.30 0.10 -0.04 3.26 3.02 3ippB1 HIS 342 HB3 -0.59 -0.18 0.07 -0.04 3.20 2.46 3ippB1 HIS 342 HD2 -0.30 -0.10 -0.02 -0.04 6.97 6.50 3ippB1 HIS 342 HE1 0.10 0.09 -0.03 -0.04 7.75 7.86 3ippB1 ALA 343 H -0.02 0.05 -0.14 -0.55 8.40 7.74 3ippB1 ALA 343 HA 0.42 0.15 0.32 -0.75 4.34 4.47 3ippB1 ALA 343 HB3 0.18 0.03 -0.38 -0.04 1.41 1.19 3ippB1 GLY 344 H 0.17 0.29 0.05 -0.55 8.43 8.40 3ippB1 GLY 344 HA2 0.08 0.05 0.27 -0.51 4.01 3.90 3ippB1 GLY 344 HA3 0.10 -0.05 0.27 -0.51 4.01 3.82 3ippB1 SER 345 H 0.05 0.05 0.12 -0.55 8.46 8.14 3ippB1 SER 345 HA 0.08 0.12 0.30 -0.75 4.49 4.24 3ippB1 SER 345 HB2 -0.02 0.09 0.08 -0.04 3.95 4.06 3ippB1 SER 345 HB3 -0.02 0.04 0.12 -0.04 3.93 4.03 3ippB1 ASP 346 H 0.10 0.02 -0.05 -0.55 8.40 7.93 3ippB1 ASP 346 HA 0.02 0.21 0.60 -0.75 4.63 4.71 3ippB1 ASP 346 HB2 -0.01 -0.04 0.20 -0.04 2.71 2.82 3ippB1 ASP 346 HB3 0.01 0.18 -0.05 -0.04 2.70 2.80 3ippB1 SER 347 H -0.08 0.24 0.18 -0.55 8.46 8.25 3ippB1 SER 347 HA -0.05 0.07 0.40 -0.75 4.49 4.16 3ippB1 SER 347 HB2 -0.60 -0.04 0.20 -0.04 3.95 3.48 3ippB1 SER 347 HB3 -0.37 -0.02 0.23 -0.04 3.93 3.73 3ippB1 THR 348 H 0.04 0.01 -0.35 -0.55 8.28 7.43 3ippB1 THR 348 HA 0.12 0.25 1.07 -0.75 4.39 5.07 3ippB1 THR 348 HB -0.07 0.00 0.19 -0.04 4.32 4.40 3ippB1 THR 348 HG23 -0.10 0.01 -0.07 -0.04 1.22 1.02 3ippB1 HIS 349 H 0.14 0.37 -0.09 -0.55 8.41 8.29 3ippB1 HIS 349 HA -0.04 0.27 0.94 -0.75 4.63 5.05 3ippB1 HIS 349 HB2 0.01 -0.19 0.05 -0.04 3.26 3.09 3ippB1 HIS 349 HB3 0.00 -0.07 0.11 -0.04 3.20 3.20 3ippB1 HIS 349 HD2 0.02 0.03 0.05 -0.04 6.97 7.02 3ippB1 HIS 349 HE1 -0.00 0.04 -0.06 -0.04 7.75 7.69 3ippB1 MET 350 H 0.07 0.20 0.10 -0.55 8.47 8.29 3ippB1 MET 350 HA 0.04 0.28 0.62 -0.75 4.52 4.71 3ippB1 MET 350 HB2 -0.19 -0.01 -0.01 -0.04 2.15 1.89 3ippB1 MET 350 HB3 -0.19 0.07 0.09 -0.04 2.03 1.96 3ippB1 MET 350 HG2 0.00 -0.07 -0.68 -0.04 2.63 1.84 3ippB1 MET 350 HG3 -0.01 -0.05 -0.15 -0.04 2.56 2.31 3ippB1 MET 350 HE3 -0.24 0.03 -0.03 -0.04 2.10 1.82 3ippB1 GLU 351 H 0.02 -0.03 0.11 -0.55 8.60 8.15 3ippB1 GLU 351 HA -0.05 0.09 0.32 -0.75 4.29 3.89 3ippB1 GLU 351 HB2 -0.02 -0.05 0.08 -0.04 2.09 2.06 3ippB1 GLU 351 HB3 -0.04 0.14 0.05 -0.04 1.99 2.11 3ippB1 GLU 351 HG2 -0.03 0.11 0.06 -0.04 2.34 2.44 3ippB1 GLU 351 HG3 0.02 0.02 0.10 -0.04 2.34 2.43 3ippB1 ASP 352 H -0.06 0.35 -0.18 -0.55 8.40 7.96 3ippB1 ASP 352 HA -0.21 0.11 0.42 -0.75 4.63 4.19 3ippB1 ASP 352 HB2 -0.40 0.08 -0.08 -0.04 2.71 2.27 3ippB1 ASP 352 HB3 -0.49 0.08 0.06 -0.04 2.70 2.30 3ippB1 PHE 353 H -0.11 0.50 -0.25 -0.55 8.34 7.93 3ippB1 PHE 353 HA -0.19 0.21 0.89 -0.75 4.62 4.78 3ippB1 PHE 353 HB2 -0.13 0.01 0.02 -0.04 3.15 3.01 3ippB1 PHE 353 HB3 0.14 -0.07 0.09 -0.04 3.06 3.18 3ippB1 PHE 353 HD2 -0.11 -0.02 -0.04 -0.04 7.28 7.06 3ippB1 PHE 353 HE2 -0.25 0.03 -0.25 -0.04 7.38 6.87 3ippB1 PHE 353 HZ 0.33 0.38 -0.04 -0.04 7.32 7.95 3ippB1 HIS 354 H -0.10 0.32 -0.10 -0.55 8.41 7.98 3ippB1 HIS 354 HA -0.09 0.30 0.96 -0.75 4.63 5.05 3ippB1 HIS 354 HB2 -0.05 -0.07 0.03 -0.04 3.26 3.13 3ippB1 HIS 354 HB3 -0.09 0.03 0.02 -0.04 3.20 3.12 3ippB1 HIS 354 HD2 0.12 0.17 -0.46 -0.04 6.97 6.76 3ippB1 HIS 354 HE1 -0.03 -0.15 -0.01 -0.04 7.75 7.51 3ippB1 ASN 355 H -0.19 0.59 0.10 -0.55 8.53 8.48 3ippB1 ASN 355 HA -0.61 0.21 0.68 -0.75 4.76 4.29 3ippB1 ASN 355 HB2 -0.53 -0.16 -0.00 -0.04 2.88 2.15 3ippB1 ASN 355 HB3 -1.91 -0.03 0.09 -0.04 2.79 0.90 3ippB1 ASN 355 HD21 0.05 0.06 -0.16 -0.04 7.03 6.94 3ippB1 ASN 355 HD22 -0.05 -0.15 -0.32 -0.04 7.74 7.19 3ippB1 PRO 356 HA -0.21 0.13 0.44 -0.51 4.44 4.29 3ippB1 PRO 356 HB2 -0.23 -0.02 -0.00 -0.04 2.28 1.98 3ippB1 PRO 356 HB3 -0.13 0.18 0.03 -0.04 2.02 2.06 3ippB1 PRO 356 HG2 -0.20 0.05 -0.01 -0.04 2.03 1.82 3ippB1 PRO 356 HG3 -0.23 0.08 0.02 -0.04 2.03 1.86 3ippB1 PRO 356 HD2 -1.96 0.03 0.17 -0.04 3.68 1.88 3ippB1 PRO 356 HD3 -0.80 0.20 0.19 -0.04 3.65 3.19 3ippB1 ASP 357 H -0.52 0.00 -0.30 -0.55 8.40 7.04 3ippB1 ASP 357 HA -0.07 0.25 0.76 -0.75 4.63 4.81 3ippB1 ASP 357 HB2 0.01 0.05 0.10 -0.04 2.71 2.83 3ippB1 ASP 357 HB3 0.09 0.08 0.00 -0.04 2.70 2.83 3ippB1 GLY 358 H -0.22 0.43 -0.32 -0.55 8.43 7.77 3ippB1 GLY 358 HA2 -0.24 0.04 0.29 -0.51 4.01 3.60 3ippB1 GLY 358 HA3 -0.16 0.17 0.50 -0.51 4.01 4.01 3ippB1 THR 359 H -0.14 -0.03 -0.30 -0.55 8.28 7.26 3ippB1 THR 359 HA -0.04 0.05 0.45 -0.75 4.39 4.09 3ippB1 THR 359 HB 0.02 0.04 -0.00 -0.04 4.32 4.33 3ippB1 THR 359 HG23 0.02 0.04 -0.21 -0.04 1.22 1.03 3ippB1 MET 360 H -0.06 0.08 0.12 -0.55 8.47 8.07 3ippB1 MET 360 HA -0.21 0.26 0.45 -0.75 4.52 4.27 3ippB1 MET 360 HB2 -0.55 -0.07 0.13 -0.04 2.15 1.62 3ippB1 MET 360 HB3 -0.21 -0.05 0.10 -0.04 2.03 1.83 3ippB1 MET 360 HG2 -0.42 0.33 -0.17 -0.04 2.63 2.33 3ippB1 MET 360 HG3 -1.72 -0.02 0.05 -0.04 2.56 0.83 3ippB1 MET 360 HE3 -0.05 0.04 -0.07 -0.04 2.10 1.98 3ippB1 ARG 361 H -0.12 0.69 0.14 -0.55 8.46 8.61 3ippB1 ARG 361 HA -0.11 -0.07 0.22 -0.75 4.34 3.64 3ippB1 ARG 361 HB2 -0.13 -0.01 -0.50 -0.04 1.90 1.21 3ippB1 ARG 361 HB3 -0.18 0.02 -0.12 -0.04 1.80 1.48 3ippB1 ARG 361 HG2 -0.07 -0.10 -0.03 -0.04 1.67 1.43 3ippB1 ARG 361 HG3 -0.10 0.00 -0.14 -0.04 1.67 1.39 3ippB1 ARG 361 HD2 -0.25 0.18 -0.15 -0.04 3.22 2.96 3ippB1 ARG 361 HD3 -0.28 -0.03 -0.08 -0.04 3.22 2.79 3ippB1 SER 362 H 0.02 0.09 0.12 -0.55 8.46 8.14 3ippB1 SER 362 HA 0.15 0.06 0.41 -0.75 4.49 4.36 3ippB1 SER 362 HB2 0.01 0.06 0.17 -0.04 3.95 4.14 3ippB1 SER 362 HB3 0.05 0.02 0.15 -0.04 3.93 4.11 3ippB1 ALA 363 H 0.12 0.18 0.16 -0.55 8.40 8.31 3ippB1 ALA 363 HA -0.07 0.10 0.40 -0.75 4.34 4.02 3ippB1 ALA 363 HB3 0.08 0.04 0.08 -0.04 1.41 1.58 3ippB1 ASP 364 H 0.11 0.07 -0.21 -0.55 8.40 7.82 3ippB1 ASP 364 HA 0.08 0.13 0.44 -0.75 4.63 4.53 3ippB1 ASP 364 HB2 0.10 -0.02 0.01 -0.04 2.71 2.76 3ippB1 ASP 364 HB3 0.07 0.07 -0.01 -0.04 2.70 2.79 3ippB1 ASP 365 H -0.01 0.13 -0.28 -0.55 8.40 7.70 3ippB1 ASP 365 HA -0.10 0.12 0.45 -0.75 4.63 4.35 3ippB1 ASP 365 HB2 -0.11 0.07 0.07 -0.04 2.71 2.71 3ippB1 ASP 365 HB3 -0.19 0.03 -0.02 -0.04 2.70 2.49 3ippB1 ILE 366 H -0.22 0.44 -0.08 -0.55 8.25 7.84 3ippB1 ILE 366 HA -0.66 0.05 0.34 -0.75 4.18 3.15 3ippB1 ILE 366 HB -0.39 0.05 0.07 -0.04 1.89 1.58 3ippB1 ILE 366 HG12 -0.52 0.01 -0.00 -0.04 1.49 0.93 3ippB1 ILE 366 HG13 -0.30 0.07 -0.10 -0.04 1.21 0.84 3ippB1 ILE 366 HG23 -1.46 0.00 -0.16 -0.04 0.93 -0.73 3ippB1 ILE 366 HD13 -0.16 -0.02 -0.08 -0.04 0.88 0.58 3ippB1 THR 367 H -0.10 0.71 -0.19 -0.55 8.28 8.16 3ippB1 THR 367 HA 0.28 0.03 0.45 -0.75 4.39 4.39 3ippB1 THR 367 HB 0.12 0.08 0.14 -0.04 4.32 4.61 3ippB1 THR 367 HG23 0.30 -0.02 -0.03 -0.04 1.22 1.43 3ippB1 ALA 368 H -0.03 0.39 -0.30 -0.55 8.40 7.91 3ippB1 ALA 368 HA 0.07 0.02 0.38 -0.75 4.34 4.05 3ippB1 ALA 368 HB3 -0.04 0.02 0.10 -0.04 1.41 1.45 3ippB1 MET 369 H -0.17 0.67 -0.02 -0.55 8.47 8.41 3ippB1 MET 369 HA -0.08 -0.01 0.47 -0.75 4.52 4.14 3ippB1 MET 369 HB2 -0.42 0.01 0.10 -0.04 2.15 1.80 3ippB1 MET 369 HB3 -0.48 0.14 0.19 -0.04 2.03 1.84 3ippB1 MET 369 HG2 -0.48 0.06 -0.24 -0.04 2.63 1.93 3ippB1 MET 369 HG3 -1.13 -0.09 -0.03 -0.04 2.56 1.28 3ippB1 MET 369 HE3 -1.14 0.01 -0.05 -0.04 2.10 0.88 3ippB1 TRP 370 H 0.12 0.53 -0.25 -0.55 7.97 7.82 3ippB1 TRP 370 HA 0.18 0.04 0.41 -0.75 4.62 4.50 3ippB1 TRP 370 HB2 0.24 0.11 0.15 -0.04 3.23 3.69 3ippB1 TRP 370 HB3 0.34 0.05 -0.03 -0.04 3.23 3.55 3ippB1 TRP 370 HD1 0.04 -0.01 -0.18 -0.04 7.22 7.03 3ippB1 TRP 370 HE1 0.21 0.37 0.08 -0.04 10.20 10.82 3ippB1 TRP 370 HE3 -0.57 0.04 -0.14 -0.04 7.59 6.88 3ippB1 TRP 370 HZ2 -0.05 -0.07 -0.06 -0.04 7.44 7.22 3ippB1 TRP 370 HZ3 -1.18 -0.02 -0.11 -0.04 7.13 5.79 3ippB1 TRP 370 HH2 -0.44 -0.00 -0.06 -0.04 7.19 6.64 3ippB1 LYS 371 H 0.33 0.56 -0.04 -0.55 8.42 8.72 3ippB1 LYS 371 HA 0.26 0.03 0.30 -0.75 4.32 4.16 3ippB1 LYS 371 HB2 0.20 0.11 0.17 -0.04 1.87 2.31 3ippB1 LYS 371 HB3 0.14 0.06 0.15 -0.04 1.79 2.10 3ippB1 LYS 371 HG2 0.10 -0.03 -0.14 -0.04 1.46 1.35 3ippB1 LYS 371 HG3 0.11 -0.04 0.03 -0.04 1.46 1.52 3ippB1 LYS 371 HD2 0.08 -0.02 -0.01 -0.04 1.69 1.70 3ippB1 LYS 371 HD3 0.07 0.01 -0.02 -0.04 1.68 1.70 3ippB1 LYS 371 HE2 0.04 -0.00 -0.04 -0.04 2.99 2.94 3ippB1 LYS 371 HE3 0.05 -0.01 -0.03 -0.04 2.99 2.96 3ippB1 ALA 372 H 0.20 0.47 -0.38 -0.55 8.40 8.14 3ippB1 ALA 372 HA 0.05 0.00 0.37 -0.75 4.34 4.01 3ippB1 ALA 372 HB3 0.10 0.02 0.11 -0.04 1.41 1.60 3ippB1 TRP 373 H 0.45 0.44 -0.41 -0.55 7.97 7.90 3ippB1 TRP 373 HA 0.15 0.04 0.86 -0.75 4.62 4.92 3ippB1 TRP 373 HB2 0.21 0.16 0.15 -0.04 3.23 3.71 3ippB1 TRP 373 HB3 0.16 -0.09 0.14 -0.04 3.23 3.41 3ippB1 TRP 373 HD1 0.26 0.08 -0.04 -0.04 7.22 7.48 3ippB1 TRP 373 HE1 0.36 -0.07 0.01 -0.04 10.20 10.47 3ippB1 TRP 373 HE3 0.19 0.12 0.14 -0.04 7.59 8.00 3ippB1 TRP 373 HZ2 0.36 0.07 0.07 -0.04 7.44 7.91 3ippB1 TRP 373 HZ3 0.29 0.15 -0.11 -0.04 7.13 7.42 3ippB1 TRP 373 HH2 0.41 0.08 -0.30 -0.04 7.19 7.33 3ippB1 ASN 374 H 0.18 0.55 -0.42 -0.55 8.53 8.30 3ippB1 ASN 374 HA 0.13 0.02 0.26 -0.75 4.76 4.42 3ippB1 ASN 374 HB2 0.08 -0.08 -0.19 -0.04 2.88 2.64 3ippB1 ASN 374 HB3 0.16 0.18 0.13 -0.04 2.79 3.22 3ippB1 ASN 374 HD21 0.06 -0.06 0.06 -0.04 7.03 7.04 3ippB1 ASN 374 HD22 0.08 0.03 0.00 -0.04 7.74 7.82 3ippB1 ILE 375 H 0.29 0.43 -0.23 -0.55 8.25 8.18 3ippB1 ILE 375 HA 0.14 0.15 0.68 -0.75 4.18 4.39 3ippB1 ILE 375 HB 0.29 -0.02 -0.02 -0.04 1.89 2.09 3ippB1 ILE 375 HG12 0.03 -0.04 -0.20 -0.04 1.49 1.24 3ippB1 ILE 375 HG13 0.24 0.16 -0.53 -0.04 1.21 1.03 3ippB1 ILE 375 HG23 -0.10 -0.03 -0.23 -0.04 0.93 0.53 3ippB1 ILE 375 HD13 -0.02 -0.04 -0.25 -0.04 0.88 0.54 3ippB1 LYS 376 H 0.09 0.27 0.00 -0.55 8.42 8.23 3ippB1 LYS 376 HA 0.04 0.23 0.80 -0.75 4.32 4.65 3ippB1 LYS 376 HB2 -0.04 0.03 -0.08 -0.04 1.87 1.74 3ippB1 LYS 376 HB3 -0.10 -0.05 -0.01 -0.04 1.79 1.59 3ippB1 LYS 376 HG2 0.07 0.03 -0.13 -0.04 1.46 1.38 3ippB1 LYS 376 HG3 0.11 -0.05 -0.65 -0.04 1.46 0.83 3ippB1 LYS 376 HD2 0.04 0.10 -0.14 -0.04 1.69 1.65 3ippB1 LYS 376 HD3 -0.00 -0.05 -0.08 -0.04 1.68 1.51 3ippB1 LYS 376 HE2 0.02 -0.03 -0.04 -0.04 2.99 2.91 3ippB1 LYS 376 HE3 0.04 -0.02 -0.05 -0.04 2.99 2.93 3ippB1 PRO 377 HA -1.61 0.13 0.30 -0.51 4.44 2.75 3ippB1 PRO 377 HB2 -0.79 0.05 0.04 -0.04 2.28 1.54 3ippB1 PRO 377 HB3 -2.65 0.04 0.07 -0.04 2.02 -0.57 3ippB1 PRO 377 HG2 -0.37 0.02 0.03 -0.04 2.03 1.67 3ippB1 PRO 377 HG3 -0.36 0.06 0.05 -0.04 2.03 1.74 3ippB1 PRO 377 HD2 -0.26 0.09 0.18 -0.04 3.68 3.65 3ippB1 PRO 377 HD3 -0.45 0.17 0.17 -0.04 3.65 3.50 3ippB1 GLU 378 H -0.28 0.04 -0.37 -0.55 8.60 7.44 3ippB1 GLU 378 HA -0.13 0.07 0.50 -0.75 4.29 3.98 3ippB1 GLU 378 HB2 -0.09 0.01 -0.08 -0.04 2.09 1.90 3ippB1 GLU 378 HB3 -0.06 0.01 0.00 -0.04 1.99 1.90 3ippB1 GLU 378 HG2 -0.06 -0.00 -0.01 -0.04 2.34 2.23 3ippB1 GLU 378 HG3 -0.09 0.01 0.00 -0.04 2.34 2.22 3ippB1 GLN 379 H -0.14 0.23 -0.35 -0.55 8.47 7.67 3ippB1 GLN 379 HA -0.02 0.20 0.48 -0.75 4.36 4.26 3ippB1 GLN 379 HB2 -0.01 0.03 -0.17 -0.04 2.15 1.96 3ippB1 GLN 379 HB3 -0.00 0.03 -0.33 -0.04 2.02 1.68 3ippB1 GLN 379 HG2 0.00 0.06 -0.23 -0.04 2.40 2.18 3ippB1 GLN 379 HG3 -0.03 -0.18 -0.12 -0.04 2.39 2.02 3ippB1 GLN 379 HE21 0.07 0.56 0.07 -0.04 6.97 7.63 3ippB1 GLN 379 HE22 0.03 0.21 -0.01 -0.04 7.69 7.88 3ippB1 GLN 380 H 0.00 0.47 0.32 -0.55 8.47 8.72 3ippB1 GLN 380 HA 0.04 0.18 0.86 -0.75 4.36 4.69 3ippB1 GLN 380 HB2 0.02 -0.01 0.15 -0.04 2.15 2.27 3ippB1 GLN 380 HB3 0.01 -0.01 0.24 -0.04 2.02 2.22 3ippB1 GLN 380 HG2 0.02 -0.03 -0.36 -0.04 2.40 1.99 3ippB1 GLN 380 HG3 0.04 0.05 -0.05 -0.04 2.39 2.39 3ippB1 GLN 380 HE21 0.04 -0.06 -0.11 -0.04 6.97 6.80 3ippB1 GLN 380 HE22 0.05 0.02 -0.18 -0.04 7.69 7.54 3ippB1 VAL 381 H 0.04 0.83 0.30 -0.55 8.24 8.86 3ippB1 VAL 381 HA -0.11 0.24 0.95 -0.75 4.13 4.46 3ippB1 VAL 381 HB 0.03 -0.01 0.01 -0.04 2.12 2.11 3ippB1 VAL 381 HG13 -0.74 -0.03 -0.27 -0.04 0.97 -0.11 3ippB1 VAL 381 HG23 0.16 0.03 -0.34 -0.04 0.95 0.76 3ippB1 SER 382 H -0.20 0.65 0.35 -0.55 8.46 8.72 3ippB1 SER 382 HA -0.05 0.20 0.93 -0.75 4.49 4.81 3ippB1 SER 382 HB2 0.02 0.07 -0.26 -0.04 3.95 3.74 3ippB1 SER 382 HB3 0.03 -0.03 0.02 -0.04 3.93 3.90 3ippB1 PHE 383 H 0.18 0.59 0.35 -0.55 8.34 8.90 3ippB1 PHE 383 HA -0.00 0.29 0.91 -0.75 4.62 5.06 3ippB1 PHE 383 HB2 0.06 0.01 0.16 -0.04 3.15 3.34 3ippB1 PHE 383 HB3 -0.04 -0.07 0.09 -0.04 3.06 3.00 3ippB1 PHE 383 HD2 -0.04 0.07 -0.02 -0.04 7.28 7.25 3ippB1 PHE 383 HE2 -0.79 0.03 -0.11 -0.04 7.38 6.47 3ippB1 PHE 383 HZ -0.83 0.02 -0.15 -0.04 7.32 6.33 3ippB1 TYR 384 H -0.07 0.70 0.42 -0.55 8.29 8.80 3ippB1 TYR 384 HA 0.10 0.11 0.61 -0.75 4.56 4.63 3ippB1 TYR 384 HB2 -0.01 -0.00 0.13 -0.04 3.06 3.14 3ippB1 TYR 384 HB3 0.25 0.01 -0.14 -0.04 2.98 3.06 3ippB1 TYR 384 HD2 0.14 0.09 -0.16 -0.04 7.15 7.18 3ippB1 TYR 384 HE2 0.08 0.05 -0.29 -0.04 6.85 6.64 3ippB1 CYS 385 H 0.22 0.17 -0.07 -0.55 8.50 8.27 3ippB1 CYS 385 HA -0.01 0.21 0.24 -0.75 4.58 4.27 3ippB1 CYS 385 HB2 0.15 -0.04 0.30 -0.04 2.97 3.35 3ippB1 CYS 385 HB3 0.06 0.35 0.16 -0.04 2.97 3.50 3ippB1 GLY 386 H 0.25 0.10 0.21 -0.55 8.43 8.44 3ippB1 GLY 386 HA2 0.27 0.15 0.70 -0.51 4.01 4.62 3ippB1 GLY 386 HA3 -0.07 0.06 0.43 -0.51 4.01 3.92 3ippB1 THR 387 H 0.03 -0.18 0.17 -0.55 8.28 7.75 3ippB1 THR 387 HA 0.11 0.48 1.01 -0.75 4.39 5.24 3ippB1 THR 387 HB 0.23 0.31 0.22 -0.04 4.32 5.04 3ippB1 THR 387 HG23 -0.08 -0.00 -0.17 -0.04 1.22 0.93 3ippB1 GLY 388 H 0.14 -0.24 0.09 -0.55 8.43 7.88 3ippB1 GLY 388 HA2 0.13 -0.02 0.18 -0.51 4.01 3.78 3ippB1 GLY 388 HA3 0.14 0.46 0.68 -0.51 4.01 4.78 3ippB1 TRP 389 H 0.40 0.10 -0.02 -0.55 7.97 7.90 3ippB1 TRP 389 HA -0.08 0.22 0.56 -0.75 4.62 4.57 3ippB1 TRP 389 HB2 -0.33 -0.07 0.13 -0.04 3.23 2.92 3ippB1 TRP 389 HB3 -0.62 -0.02 -0.09 -0.04 3.23 2.45 3ippB1 TRP 389 HD1 -0.05 0.01 -0.16 -0.04 7.22 6.98 3ippB1 TRP 389 HE1 0.05 0.11 -0.11 -0.04 10.20 10.20 3ippB1 TRP 389 HE3 -1.03 -0.07 -0.17 -0.04 7.59 6.27 3ippB1 TRP 389 HZ2 0.18 0.02 -0.07 -0.04 7.44 7.53 3ippB1 TRP 389 HZ3 0.01 -0.04 -0.01 -0.04 7.13 7.05 3ippB1 TRP 389 HH2 0.21 -0.09 0.00 -0.04 7.19 7.27 3ippB1 ARG 390 H 0.22 0.09 0.03 -0.55 8.46 8.25 3ippB1 ARG 390 HA 0.26 0.03 0.35 -0.75 4.34 4.22 3ippB1 ARG 390 HB2 0.14 -0.03 0.13 -0.04 1.90 2.11 3ippB1 ARG 390 HB3 0.09 0.14 0.00 -0.04 1.80 2.00 3ippB1 ARG 390 HG2 0.32 -0.02 -0.07 -0.04 1.67 1.86 3ippB1 ARG 390 HG3 0.39 -0.11 0.06 -0.04 1.67 1.97 3ippB1 ARG 390 HD2 0.14 0.08 -0.02 -0.04 3.22 3.38 3ippB1 ARG 390 HD3 0.18 0.04 -0.08 -0.04 3.22 3.31 3ippB1 ALA 391 H 0.10 -0.10 -0.56 -0.55 8.40 7.30 3ippB1 ALA 391 HA -0.02 0.14 0.29 -0.75 4.34 3.99 3ippB1 ALA 391 HB3 0.13 0.03 -0.34 -0.04 1.41 1.19 3ippB1 SER 392 H 0.03 0.36 -0.33 -0.55 8.46 7.98 3ippB1 SER 392 HA -0.00 0.11 0.40 -0.75 4.49 4.24 3ippB1 SER 392 HB2 -0.08 0.02 -0.02 -0.04 3.95 3.84 3ippB1 SER 392 HB3 -0.09 0.10 -0.40 -0.04 3.93 3.50 3ippB1 GLU 393 H -0.06 0.33 -0.18 -0.55 8.60 8.15 3ippB1 GLU 393 HA -0.29 0.01 0.35 -0.75 4.29 3.61 3ippB1 GLU 393 HB2 -0.02 -0.16 0.01 -0.04 2.09 1.89 3ippB1 GLU 393 HB3 -0.17 0.15 0.10 -0.04 1.99 2.04 3ippB1 GLU 393 HG2 -0.65 0.11 -0.29 -0.04 2.34 1.47 3ippB1 GLU 393 HG3 -0.50 -0.02 -0.06 -0.04 2.34 1.73 3ippB1 THR 394 H -0.39 0.46 -0.14 -0.55 8.28 7.66 3ippB1 THR 394 HA -0.56 0.03 0.45 -0.75 4.39 3.56 3ippB1 THR 394 HB -0.56 0.04 -0.03 -0.04 4.32 3.73 3ippB1 THR 394 HG23 -1.04 0.03 -0.01 -0.04 1.22 0.15 3ippB1 PHE 395 H -0.22 0.57 -0.24 -0.55 8.34 7.90 3ippB1 PHE 395 HA -0.22 0.03 0.44 -0.75 4.62 4.11 3ippB1 PHE 395 HB2 0.04 0.03 0.03 -0.04 3.15 3.21 3ippB1 PHE 395 HB3 -0.09 0.07 0.18 -0.04 3.06 3.19 3ippB1 PHE 395 HD2 0.10 0.01 -0.25 -0.04 7.28 7.10 3ippB1 PHE 395 HE2 0.08 0.13 -0.21 -0.04 7.38 7.34 3ippB1 PHE 395 HZ 0.08 0.06 -0.05 -0.04 7.32 7.37 3ippB1 MET 396 H -0.04 0.58 -0.16 -0.55 8.47 8.31 3ippB1 MET 396 HA -0.04 0.07 0.30 -0.75 4.52 4.10 3ippB1 MET 396 HB2 -0.18 0.04 0.14 -0.04 2.15 2.11 3ippB1 MET 396 HB3 0.01 -0.02 0.03 -0.04 2.03 2.01 3ippB1 MET 396 HG2 0.13 0.17 0.04 -0.04 2.63 2.92 3ippB1 MET 396 HG3 0.03 -0.13 -0.02 -0.04 2.56 2.40 3ippB1 MET 396 HE3 0.08 0.02 -0.13 -0.04 2.10 2.02 3ippB1 TYR 397 H -0.27 0.35 -0.29 -0.55 8.29 7.53 3ippB1 TYR 397 HA -0.04 0.01 0.33 -0.75 4.56 4.10 3ippB1 TYR 397 HB2 -0.15 0.11 0.14 -0.04 3.06 3.12 3ippB1 TYR 397 HB3 -0.08 -0.02 0.02 -0.04 2.98 2.85 3ippB1 TYR 397 HD2 -0.08 0.01 -0.07 -0.04 7.15 6.98 3ippB1 TYR 397 HE2 0.04 -0.06 -0.05 -0.04 6.85 6.74 3ippB1 ALA 398 H -0.12 0.68 -0.03 -0.55 8.40 8.38 3ippB1 ALA 398 HA -0.22 0.00 0.42 -0.75 4.34 3.79 3ippB1 ALA 398 HB3 -0.09 0.02 0.03 -0.04 1.41 1.32 3ippB1 ARG 399 H -0.28 0.66 -0.20 -0.55 8.46 8.09 3ippB1 ARG 399 HA -0.06 0.13 0.51 -0.75 4.34 4.16 3ippB1 ARG 399 HB2 -0.61 0.01 0.06 -0.04 1.90 1.32 3ippB1 ARG 399 HB3 -0.20 0.10 0.14 -0.04 1.80 1.80 3ippB1 ARG 399 HG2 -0.08 -0.02 -0.18 -0.04 1.67 1.35 3ippB1 ARG 399 HG3 -0.09 0.02 0.02 -0.04 1.67 1.57 3ippB1 ARG 399 HD2 0.02 -0.02 -0.03 -0.04 3.22 3.16 3ippB1 ARG 399 HD3 0.01 -0.04 -0.02 -0.04 3.22 3.12 3ippB1 ALA 400 H 0.02 0.49 -0.11 -0.55 8.40 8.26 3ippB1 ALA 400 HA 0.10 0.08 0.38 -0.75 4.34 4.15 3ippB1 ALA 400 HB3 0.10 -0.01 0.05 -0.04 1.41 1.51 3ippB1 MET 401 H 0.08 0.48 -0.33 -0.55 8.47 8.15 3ippB1 MET 401 HA 0.15 -0.05 0.55 -0.75 4.52 4.41 3ippB1 MET 401 HB2 0.00 0.06 0.15 -0.04 2.15 2.32 3ippB1 MET 401 HB3 0.29 -0.05 0.13 -0.04 2.03 2.35 3ippB1 MET 401 HG2 0.07 -0.13 0.05 -0.04 2.63 2.58 3ippB1 MET 401 HG3 0.04 0.10 0.03 -0.04 2.56 2.68 3ippB1 MET 401 HE3 -0.04 -0.01 -0.03 -0.04 2.10 1.98 3ippB1 GLY 402 H 0.22 0.46 -0.71 -0.55 8.43 7.85 3ippB1 GLY 402 HA2 0.29 0.07 0.22 -0.51 4.01 4.09 3ippB1 GLY 402 HA3 0.21 -0.01 0.36 -0.51 4.01 4.06 3ippB1 TRP 403 H 0.57 0.37 -0.22 -0.55 7.97 8.14 3ippB1 TRP 403 HA 0.09 0.03 0.58 -0.75 4.62 4.57 3ippB1 TRP 403 HB2 0.13 0.01 -0.04 -0.04 3.23 3.29 3ippB1 TRP 403 HB3 0.11 -0.03 -0.08 -0.04 3.23 3.19 3ippB1 TRP 403 HD1 0.15 0.11 -0.24 -0.04 7.22 7.20 3ippB1 TRP 403 HE1 0.21 -0.01 -0.02 -0.04 10.20 10.34 3ippB1 TRP 403 HE3 0.08 0.04 -0.18 -0.04 7.59 7.49 3ippB1 TRP 403 HZ2 0.41 0.01 -0.03 -0.04 7.44 7.78 3ippB1 TRP 403 HZ3 -0.06 0.00 -0.38 -0.04 7.13 6.66 3ippB1 TRP 403 HH2 0.38 0.18 -0.42 -0.04 7.19 7.29 3ippB1 LYS 404 H 0.08 0.19 0.21 -0.55 8.42 8.35 3ippB1 LYS 404 HA 0.12 0.17 0.27 -0.75 4.32 4.13 3ippB1 LYS 404 HB2 0.04 0.02 0.06 -0.04 1.87 1.95 3ippB1 LYS 404 HB3 0.06 -0.04 0.09 -0.04 1.79 1.86 3ippB1 LYS 404 HG2 0.05 0.11 0.14 -0.04 1.46 1.72 3ippB1 LYS 404 HG3 0.03 -0.05 0.06 -0.04 1.46 1.46 3ippB1 LYS 404 HD2 0.06 -0.06 0.03 -0.04 1.69 1.68 3ippB1 LYS 404 HD3 0.10 0.07 -0.03 -0.04 1.68 1.78 3ippB1 LYS 404 HE2 0.06 -0.06 0.02 -0.04 2.99 2.97 3ippB1 LYS 404 HE3 0.07 0.07 0.04 -0.04 2.99 3.12 3ippB1 ASN 405 H 0.14 0.16 -0.22 -0.55 8.53 8.06 3ippB1 ASN 405 HA 0.11 0.00 0.81 -0.75 4.76 4.93 3ippB1 ASN 405 HB2 0.05 0.00 -0.10 -0.04 2.88 2.79 3ippB1 ASN 405 HB3 0.06 0.12 0.27 -0.04 2.79 3.20 3ippB1 ASN 405 HD21 0.04 -0.04 -0.01 -0.04 7.03 6.98 3ippB1 ASN 405 HD22 0.03 0.05 -0.03 -0.04 7.74 7.75 3ippB1 VAL 406 H 0.19 0.30 -0.08 -0.55 8.24 8.10 3ippB1 VAL 406 HA 0.16 0.47 1.15 -0.75 4.13 5.16 3ippB1 VAL 406 HB 0.39 -0.04 0.01 -0.04 2.12 2.45 3ippB1 VAL 406 HG13 0.34 -0.04 -0.19 -0.04 0.97 1.04 3ippB1 VAL 406 HG23 -0.04 0.02 -0.15 -0.04 0.95 0.74 3ippB1 SER 407 H 0.28 0.37 0.40 -0.55 8.46 8.96 3ippB1 SER 407 HA 0.33 0.19 0.69 -0.75 4.49 4.95 3ippB1 SER 407 HB2 0.13 -0.04 -0.27 -0.04 3.95 3.72 3ippB1 SER 407 HB3 0.17 0.19 -0.34 -0.04 3.93 3.92 3ippB1 VAL 408 H 0.01 0.67 0.33 -0.55 8.24 8.70 3ippB1 VAL 408 HA 0.22 0.19 1.03 -0.75 4.13 4.81 3ippB1 VAL 408 HB -0.09 0.03 0.14 -0.04 2.12 2.15 3ippB1 VAL 408 HG13 0.05 -0.03 -0.25 -0.04 0.97 0.70 3ippB1 VAL 408 HG23 -0.08 0.00 -0.18 -0.04 0.95 0.65 3ippB1 TYR 409 H 0.28 0.67 0.10 -0.55 8.29 8.79 3ippB1 TYR 409 HA 0.06 0.15 0.86 -0.75 4.56 4.88 3ippB1 TYR 409 HB2 0.06 0.06 -0.08 -0.04 3.06 3.07 3ippB1 TYR 409 HB3 0.14 0.07 -0.06 -0.04 2.98 3.08 3ippB1 TYR 409 HD2 -0.08 0.15 -0.21 -0.04 7.15 6.97 3ippB1 TYR 409 HE2 -0.07 0.02 -0.18 -0.04 6.85 6.58 3ippB1 ASP 410 H 0.07 0.45 0.12 -0.55 8.40 8.50 3ippB1 ASP 410 HA -0.03 0.03 0.15 -0.75 4.63 4.02 3ippB1 ASP 410 HB2 -0.03 0.10 0.15 -0.04 2.71 2.89 3ippB1 ASP 410 HB3 -0.03 -0.05 0.11 -0.04 2.70 2.69 3ippB1 GLY 411 H -0.39 0.06 -0.19 -0.55 8.43 7.36 3ippB1 GLY 411 HA2 -0.08 0.11 0.23 -0.51 4.01 3.76 3ippB1 GLY 411 HA3 -0.14 -0.04 0.25 -0.51 4.01 3.57 3ippB1 GLY 412 H -1.66 0.06 -0.25 -0.55 8.43 6.03 3ippB1 GLY 412 HA2 -0.09 -0.00 0.23 -0.51 4.01 3.65 3ippB1 GLY 412 HA3 0.08 0.15 0.16 -0.51 4.01 3.89 3ippB1 TRP 413 H 0.50 0.67 0.41 -0.55 7.97 9.00 3ippB1 TRP 413 HA 0.16 0.04 0.46 -0.75 4.62 4.53 3ippB1 TRP 413 HB2 0.26 -0.03 0.06 -0.04 3.23 3.47 3ippB1 TRP 413 HB3 0.19 -0.05 0.15 -0.04 3.23 3.48 3ippB1 TRP 413 HD1 0.11 -0.09 -0.10 -0.04 7.22 7.10 3ippB1 TRP 413 HE1 0.07 0.30 -0.15 -0.04 10.20 10.38 3ippB1 TRP 413 HE3 0.03 -0.11 -0.12 -0.04 7.59 7.35 3ippB1 TRP 413 HZ2 0.06 -0.05 -0.80 -0.04 7.44 6.61 3ippB1 TRP 413 HZ3 0.17 0.09 -0.55 -0.04 7.13 6.79 3ippB1 TRP 413 HH2 0.11 0.07 -0.39 -0.04 7.19 6.93 3ippB1 TYR 414 H 0.27 0.44 0.15 -0.55 8.29 8.60 3ippB1 TYR 414 HA -0.17 0.01 0.44 -0.75 4.56 4.09 3ippB1 TYR 414 HB2 -0.04 -0.10 0.10 -0.04 3.06 2.98 3ippB1 TYR 414 HB3 0.01 0.21 0.20 -0.04 2.98 3.37 3ippB1 TYR 414 HD2 0.06 0.08 0.02 -0.04 7.15 7.27 3ippB1 TYR 414 HE2 0.21 0.01 -0.02 -0.04 6.85 7.01 3ippB1 GLU 415 H 0.03 0.57 -0.21 -0.55 8.60 8.44 3ippB1 GLU 415 HA -0.21 0.06 0.47 -0.75 4.29 3.86 3ippB1 GLU 415 HB2 -0.07 0.03 0.07 -0.04 2.09 2.08 3ippB1 GLU 415 HB3 0.06 -0.06 -0.07 -0.04 1.99 1.87 3ippB1 GLU 415 HG2 -0.01 0.05 -0.24 -0.04 2.34 2.10 3ippB1 GLU 415 HG3 -0.07 -0.00 -0.01 -0.04 2.34 2.22 3ippB1 TRP 416 H 0.24 0.61 -0.19 -0.55 7.97 8.08 3ippB1 TRP 416 HA -0.06 -0.04 0.32 -0.75 4.62 4.09 3ippB1 TRP 416 HB2 0.09 -0.00 0.04 -0.04 3.23 3.32 3ippB1 TRP 416 HB3 -0.10 0.00 0.06 -0.04 3.23 3.16 3ippB1 TRP 416 HD1 -0.04 0.02 -0.37 -0.04 7.22 6.79 3ippB1 TRP 416 HE1 0.11 0.54 -0.10 -0.04 10.20 10.70 3ippB1 TRP 416 HE3 -0.04 -0.10 -0.05 -0.04 7.59 7.36 3ippB1 TRP 416 HZ2 0.03 0.09 0.05 -0.04 7.44 7.56 3ippB1 TRP 416 HZ3 -0.18 -0.02 -0.04 -0.04 7.13 6.85 3ippB1 TRP 416 HH2 -0.04 0.04 0.00 -0.04 7.19 7.15 3ippB1 SER 417 H -0.43 0.58 -0.30 -0.55 8.46 7.75 3ippB1 SER 417 HA -0.38 0.17 0.30 -0.75 4.49 3.83 3ippB1 SER 417 HB2 -0.71 -0.05 -0.05 -0.04 3.95 3.09 3ippB1 SER 417 HB3 -2.69 -0.03 -0.09 -0.04 3.93 1.08 3ippB1 SER 418 H -0.24 0.32 -0.43 -0.55 8.46 7.57 3ippB1 SER 418 HA -0.14 0.00 0.55 -0.75 4.49 4.15 3ippB1 SER 418 HB2 -0.21 0.00 0.17 -0.04 3.95 3.87 3ippB1 SER 418 HB3 -0.16 0.00 0.03 -0.04 3.93 3.76 3ippB1 ASP 419 H -0.25 0.44 -0.37 -0.55 8.40 7.67 3ippB1 ASP 419 HA -0.14 0.24 1.05 -0.75 4.63 5.02 3ippB1 ASP 419 HB2 -0.19 -0.02 -0.00 -0.04 2.71 2.46 3ippB1 ASP 419 HB3 -0.31 0.09 0.17 -0.04 2.70 2.62 3ippB1 PRO 420 HA -0.08 0.16 0.23 -0.51 4.44 4.24 3ippB1 PRO 420 HB2 -0.04 0.02 0.02 -0.04 2.28 2.24 3ippB1 PRO 420 HB3 -0.05 0.03 0.07 -0.04 2.02 2.03 3ippB1 PRO 420 HG2 -0.07 -0.02 0.01 -0.04 2.03 1.91 3ippB1 PRO 420 HG3 -0.05 0.02 0.05 -0.04 2.03 2.01 3ippB1 PRO 420 HD2 -0.10 0.05 0.22 -0.04 3.68 3.81 3ippB1 PRO 420 HD3 -0.09 0.23 0.07 -0.04 3.65 3.82 3ippB1 LYS 421 H -0.12 -0.00 -0.34 -0.55 8.42 7.40 3ippB1 LYS 421 HA -0.07 0.06 0.54 -0.75 4.32 4.09 3ippB1 LYS 421 HB2 -0.15 -0.04 -0.01 -0.04 1.87 1.63 3ippB1 LYS 421 HB3 -0.11 0.01 -0.05 -0.04 1.79 1.60 3ippB1 LYS 421 HG2 -0.06 0.02 0.02 -0.04 1.46 1.39 3ippB1 LYS 421 HG3 -0.08 -0.04 0.00 -0.04 1.46 1.30 3ippB1 LYS 421 HD2 -0.06 -0.02 -0.01 -0.04 1.69 1.56 3ippB1 LYS 421 HD3 -0.09 -0.02 -0.02 -0.04 1.68 1.52 3ippB1 LYS 421 HE2 -0.08 0.01 -0.03 -0.04 2.99 2.85 3ippB1 LYS 421 HE3 -0.06 0.03 -0.01 -0.04 2.99 2.91 3ippB1 ASN 422 H -0.28 0.47 -0.13 -0.55 8.53 8.04 3ippB1 ASN 422 HA -0.32 -0.01 0.34 -0.75 4.76 4.01 3ippB1 ASN 422 HB2 -0.72 0.29 0.16 -0.04 2.88 2.56 3ippB1 ASN 422 HB3 -1.46 -0.01 -0.04 -0.04 2.79 1.25 3ippB1 ASN 422 HD21 -0.77 -0.18 0.03 -0.04 7.03 6.08 3ippB1 ASN 422 HD22 -1.01 0.40 0.22 -0.04 7.74 7.31 3ippB1 PRO 423 HA 0.14 0.12 0.52 -0.51 4.44 4.71 3ippB1 PRO 423 HB2 0.22 -0.01 0.02 -0.04 2.28 2.47 3ippB1 PRO 423 HB3 0.14 0.03 0.12 -0.04 2.02 2.26 3ippB1 PRO 423 HG2 0.45 0.01 0.12 -0.04 2.03 2.57 3ippB1 PRO 423 HG3 0.21 0.03 0.09 -0.04 2.03 2.32 3ippB1 PRO 423 HD2 0.14 0.01 0.21 -0.04 3.68 3.99 3ippB1 PRO 423 HD3 0.03 0.15 0.19 -0.04 3.65 3.98 3ippB1 VAL 424 H 0.17 0.21 0.24 -0.55 8.24 8.30 3ippB1 VAL 424 HA 0.33 0.24 0.96 -0.75 4.13 4.90 3ippB1 VAL 424 HB 0.19 -0.04 0.07 -0.04 2.12 2.30 3ippB1 VAL 424 HG13 0.24 -0.02 -0.10 -0.04 0.97 1.05 3ippB1 VAL 424 HG23 0.42 0.05 -0.30 -0.04 0.95 1.09 3ippB1 ALA 425 H 0.01 0.68 0.23 -0.55 8.40 8.77 3ippB1 ALA 425 HA -0.01 0.13 0.85 -0.75 4.34 4.55 3ippB1 ALA 425 HB3 -0.12 0.00 -0.02 -0.04 1.41 1.24 3ippB1 THR 426 H -0.07 0.21 0.17 -0.55 8.28 8.03 3ippB1 THR 426 HA -0.25 0.18 0.63 -0.75 4.39 4.19 3ippB1 THR 426 HB -0.11 0.05 0.12 -0.04 4.32 4.34 3ippB1 THR 426 HG23 -0.06 -0.03 -0.16 -0.04 1.22 0.93 3ippB1 GLY 427 H -0.21 0.83 0.27 -0.55 8.43 8.78 3ippB1 GLY 427 HA2 -0.11 -0.06 0.42 -0.51 4.01 3.75 3ippB1 GLY 427 HA3 -0.07 0.11 0.42 -0.51 4.01 3.96 3ippB1 GLU 428 H -0.00 0.04 0.15 -0.55 8.60 8.25 3ippB1 GLU 428 HA 0.16 0.01 0.39 -0.75 4.29 4.09 3ippB1 GLU 428 HB2 0.11 0.01 0.07 -0.04 2.09 2.24 3ippB1 GLU 428 HB3 0.24 0.01 0.02 -0.04 1.99 2.22 3ippB1 GLU 428 HG2 0.06 -0.06 0.15 -0.04 2.34 2.44 3ippB1 GLU 428 HG3 0.09 0.01 0.06 -0.04 2.34 2.46 3ippB1 ARG 429 H 0.44 0.29 0.27 -0.55 8.46 8.91 3ippB1 ARG 429 HA 0.17 0.01 0.55 -0.75 4.34 4.32 3ippB1 ARG 429 HB2 0.19 -0.08 0.11 -0.04 1.90 2.08 3ippB1 ARG 429 HB3 0.11 0.19 -0.21 -0.04 1.80 1.85 3ippB1 ARG 429 HG2 0.28 -0.06 -0.07 -0.04 1.67 1.78 3ippB1 ARG 429 HG3 0.48 -0.00 -0.21 -0.04 1.67 1.89 3ippB1 ARG 429 HD2 0.07 -0.06 -0.09 -0.04 3.22 3.10 3ippB1 ARG 429 HD3 -0.05 0.24 -0.23 -0.04 3.22 3.14 3ippB1 GLY 430 H 0.12 0.08 0.17 -0.55 8.43 8.25 3ippB1 GLY 430 HA2 -0.03 0.25 0.89 -0.51 4.01 4.61 3ippB1 GLY 430 HA3 -0.12 0.03 0.39 -0.51 4.01 3.80 3ippB1 PRO 431 HA -0.70 0.13 0.31 -0.51 4.44 3.68 3ippB1 PRO 431 HB2 -0.26 -0.02 -0.00 -0.04 2.28 1.96 3ippB1 PRO 431 HB3 -0.36 0.13 0.07 -0.04 2.02 1.82 3ippB1 PRO 431 HG2 -0.43 0.07 0.17 -0.04 2.03 1.80 3ippB1 PRO 431 HG3 -1.20 0.15 0.19 -0.04 2.03 1.13 3ippB1 PRO 431 HD2 -0.38 0.04 0.21 -0.04 3.68 3.51 3ippB1 PRO 431 HD3 -0.88 0.13 0.27 -0.04 3.65 3.13 3ippB1 ASP 432 H -0.14 0.05 -0.27 -0.55 8.40 7.50 3ippB1 ASP 432 HA 0.01 0.13 0.52 -0.75 4.63 4.54 3ippB1 ASP 432 HB2 -0.02 -0.05 0.04 -0.04 2.71 2.65 3ippB1 ASP 432 HB3 0.01 0.02 0.04 -0.04 2.70 2.73 3ippB1 SER 433 H 0.07 0.41 -0.12 -0.55 8.46 8.27 3ippB1 SER 433 HA 0.10 0.04 0.51 -0.75 4.49 4.38 3ippB1 SER 433 HB2 0.12 -0.01 0.14 -0.04 3.95 4.16 3ippB1 SER 433 HB3 0.12 -0.12 0.14 -0.04 3.93 4.02 3ippB1 SER 434 H 0.16 0.42 -0.68 -0.55 8.46 7.82 3ippB1 SER 434 HA 0.21 0.09 0.83 -0.75 4.49 4.87 3ippB1 SER 434 HB2 0.43 0.06 0.02 -0.04 3.95 4.42 3ippB1 SER 434 HB3 0.28 0.09 0.04 -0.04 3.93 4.30 3ippB1 LYS 435 H 0.13 0.31 -0.22 -0.55 8.42 8.09 3ippB1 LYS 435 HA 0.12 0.17 0.45 -0.75 4.32 4.30 3ippB1 LYS 435 HB2 0.09 0.09 0.10 -0.04 1.87 2.11 3ippB1 LYS 435 HB3 0.09 -0.04 0.04 -0.04 1.79 1.84 3ippB1 LYS 435 HG2 0.06 -0.05 0.01 -0.04 1.46 1.44 3ippB1 LYS 435 HG3 0.07 0.07 -0.00 -0.04 1.46 1.55 3ippB1 LYS 435 HD2 0.03 -0.07 0.03 -0.04 1.69 1.64 3ippB1 LYS 435 HD3 0.05 0.23 0.19 -0.04 1.68 2.11 3ippB1 LYS 435 HE2 0.03 -0.04 0.04 -0.04 2.99 2.98 3ippB1 LYS 435 HE3 0.04 0.01 0.04 -0.04 2.99 3.03