============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. PHE 5 1.000 17.351 11.179 114.786 -99.200 -91.000 PHE 14 1.000 16.812 22.323 118.540 -99.200 -91.000 PHE 27 1.000 15.539 34.986 113.663 -99.200 -91.000 TYR 29 0.840 21.679 36.521 125.314 -99.200 -91.000 TYR 38 0.840 22.208 28.366 122.453 -99.200 -91.000 HIS 42 0.900 31.342 25.622 118.797 -99.200 -91.000 PHE 47 1.000 20.790 25.790 113.128 -99.200 -91.000 PHE 49 1.000 21.938 31.295 117.793 -99.200 -91.000 HIS 54 0.900 14.876 41.375 126.720 -99.200 -91.000 HIS 60 0.900 8.495 41.493 119.672 -99.200 -91.000 TYR 65 0.840 13.076 33.311 108.878 -99.200 -91.000 PHE 94 1.000 -3.229 32.232 121.003 -99.200 -91.000 PHE 103 1.000 12.355 23.804 119.291 -99.200 -91.000 PHE 117 1.000 20.736 29.826 138.685 -99.200 -91.000 TRP 132 1.040 0.331 20.823 121.689 -99.200 -91.000 TRP6 132 1.020 2.484 20.079 121.050 -99.200 -91.000 PHE 150 1.000 9.866 23.273 113.373 -99.200 -91.000 PHE 192 1.000 -20.719 21.792 105.719 -99.200 -91.000 TYR 213 0.840 -13.615 42.243 107.009 -99.200 -91.000 HIS 221 0.900 -2.353 28.770 98.168 -99.200 -91.000 PHE 249 1.000 -7.772 44.589 94.958 -99.200 -91.000 HIS 263 0.900 -7.298 55.813 113.928 -99.200 -91.000 PHE 285 1.000 -16.618 39.539 110.012 -99.200 -91.000 PHE 296 1.000 -19.326 45.001 110.271 -99.200 -91.000 HIS 313 0.900 -15.458 34.666 108.735 -99.200 -91.000 PHE 314 1.000 -15.051 32.400 100.590 -99.200 -91.000 PHE 347 1.000 -24.651 32.859 87.358 -99.200 -91.000 TRP 355 1.040 -20.983 48.605 95.055 -99.200 -91.000 TRP6 355 1.020 -21.635 49.737 97.035 -99.200 -91.000 PHE 356 1.000 -17.166 49.174 90.415 -99.200 -91.000 TRP 362 1.040 -19.672 57.550 99.808 -99.200 -91.000 TRP6 362 1.020 -20.416 55.307 99.803 -99.200 -91.000 TYR 366 0.840 -16.683 61.691 103.252 -99.200 -91.000 TYR 368 0.840 -6.515 57.247 104.189 -99.200 -91.000 TYR 370 0.840 -1.313 65.318 105.328 -99.200 -91.000 HIS 398 0.900 9.941 42.143 98.264 -99.200 -91.000 HIS 408 0.900 4.905 54.529 114.963 -99.200 -91.000 TRP 411 1.040 -0.772 59.812 110.516 -99.200 -91.000 TRP6 411 1.020 0.271 60.803 112.397 -99.200 -91.000 HIS 415 0.900 -1.464 59.762 104.543 -99.200 -91.000 TRP 416 1.040 4.416 51.910 101.469 -99.200 -91.000 TRP6 416 1.020 6.518 52.792 102.105 -99.200 -91.000 TRP 418 1.040 0.088 49.666 102.335 -99.200 -91.000 TRP6 418 1.020 2.255 49.108 103.107 -99.200 -91.000 HIS 422 0.900 3.289 37.003 101.580 -99.200 -91.000 PHE 424 1.000 1.762 47.834 107.385 -99.200 -91.000 TYR 435 0.840 6.295 43.022 115.058 -99.200 -91.000 PHE 461 1.000 15.018 53.265 117.778 -99.200 -91.000 TRP 494 1.040 -7.644 56.658 121.634 -99.200 -91.000 TRP6 494 1.020 -9.632 55.483 122.152 -99.200 -91.000 PHE 498 1.000 -12.700 59.068 123.379 -99.200 -91.000 TYR 499 0.840 -9.500 59.548 129.592 -99.200 -91.000 HIS 501 0.900 -7.601 69.028 124.601 -99.200 -91.000 TYR 503 0.840 -2.124 65.964 126.164 -99.200 -91.000 HIS 505 0.900 2.634 60.197 135.135 -99.200 -91.000 HIS 507 0.900 3.624 64.526 126.538 -99.200 -91.000 PHE 513 1.000 15.250 58.747 119.365 -99.200 -91.000 PHE 540 1.000 15.824 55.831 106.194 -99.200 -91.000 PHE 572 1.000 -16.680 59.209 107.971 -99.200 -91.000 PHE 575 1.000 -7.348 68.314 108.275 -99.200 -91.000 HIS 588 0.900 -0.731 75.269 122.312 -99.200 -91.000 HIS 595 0.900 2.869 68.378 126.831 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1t9bB1 MET 85 HA -0.01 -0.15 0.07 -0.75 4.52 3.68 1t9bB1 MET 85 HB2 -0.01 -0.00 -0.11 -0.04 2.15 1.99 1t9bB1 MET 85 HB3 -0.00 -0.02 -0.20 -0.04 2.03 1.76 1t9bB1 MET 85 HG2 -0.00 -0.00 -0.03 -0.04 2.63 2.55 1t9bB1 MET 85 HG3 0.00 0.03 -0.10 -0.04 2.56 2.45 1t9bB1 MET 85 HE3 0.01 0.01 -0.24 -0.04 2.10 1.84 1t9bB1 ASP 86 H -0.03 0.72 0.19 -0.55 8.40 8.74 1t9bB1 ASP 86 HA -0.06 0.15 0.95 -0.75 4.63 4.92 1t9bB1 ASP 86 HB2 -0.09 -0.00 -0.03 -0.04 2.71 2.55 1t9bB1 ASP 86 HB3 -0.10 0.12 0.05 -0.04 2.70 2.73 1t9bB1 THR 87 H -0.05 0.21 0.15 -0.55 8.28 8.05 1t9bB1 THR 87 HA -0.00 0.18 0.98 -0.75 4.39 4.80 1t9bB1 THR 87 HB 0.01 0.04 0.10 -0.04 4.32 4.43 1t9bB1 THR 87 HG23 -0.00 0.01 -0.15 -0.04 1.22 1.04 1t9bB1 SER 88 H -0.10 0.07 0.02 -0.55 8.46 7.90 1t9bB1 SER 88 HA -0.00 0.12 0.35 -0.75 4.49 4.21 1t9bB1 SER 88 HB2 -0.05 0.08 0.05 -0.04 3.95 3.99 1t9bB1 SER 88 HB3 -0.09 -0.01 0.11 -0.04 3.93 3.90 1t9bB1 PHE 89 H 0.02 0.01 -0.46 -0.55 8.34 7.36 1t9bB1 PHE 89 HA 0.01 0.22 0.70 -0.75 4.62 4.79 1t9bB1 PHE 89 HB2 0.01 -0.01 -0.06 -0.04 3.15 3.05 1t9bB1 PHE 89 HB3 0.02 -0.04 -0.01 -0.04 3.06 2.98 1t9bB1 PHE 89 HD2 0.01 0.06 -0.16 -0.04 7.28 7.15 1t9bB1 PHE 89 HE2 -0.00 0.04 -0.06 -0.04 7.38 7.31 1t9bB1 PHE 89 HZ -0.02 0.09 -0.08 -0.04 7.32 7.27 1t9bB1 VAL 90 H 0.10 0.27 -0.26 -0.55 8.24 7.80 1t9bB1 VAL 90 HA 0.08 0.04 0.33 -0.75 4.13 3.83 1t9bB1 VAL 90 HB 0.04 0.13 0.11 -0.04 2.12 2.36 1t9bB1 VAL 90 HG13 0.03 -0.01 -0.17 -0.04 0.97 0.78 1t9bB1 VAL 90 HG23 0.04 -0.05 -0.19 -0.04 0.95 0.71 1t9bB1 GLY 91 H 0.04 0.62 0.34 -0.55 8.43 8.88 1t9bB1 GLY 91 HA2 0.02 -0.07 0.34 -0.51 4.01 3.79 1t9bB1 GLY 91 HA3 0.03 0.17 0.79 -0.51 4.01 4.49 1t9bB1 LEU 92 H 0.04 0.58 -0.03 -0.55 8.37 8.41 1t9bB1 LEU 92 HA -0.00 0.10 0.68 -0.75 4.35 4.37 1t9bB1 LEU 92 HB2 -0.06 0.05 0.07 -0.04 1.64 1.66 1t9bB1 LEU 92 HB3 -0.07 -0.10 0.06 -0.04 1.64 1.49 1t9bB1 LEU 92 HG 0.06 0.12 -0.11 -0.04 1.64 1.67 1t9bB1 LEU 92 HD13 -0.05 -0.01 -0.06 -0.04 0.93 0.77 1t9bB1 LEU 92 HD23 0.01 -0.01 -0.08 -0.04 0.89 0.78 1t9bB1 THR 93 H -0.02 0.07 0.20 -0.55 8.28 7.98 1t9bB1 THR 93 HA -0.01 0.32 0.63 -0.75 4.39 4.58 1t9bB1 THR 93 HB -0.01 0.15 0.10 -0.04 4.32 4.52 1t9bB1 THR 93 HG23 -0.01 0.02 0.02 -0.04 1.22 1.21 1t9bB1 GLY 94 H -0.01 0.49 0.07 -0.55 8.43 8.44 1t9bB1 GLY 94 HA2 -0.02 0.03 0.42 -0.51 4.01 3.94 1t9bB1 GLY 94 HA3 0.00 0.08 0.41 -0.51 4.01 4.00 1t9bB1 GLY 95 H -0.02 0.57 -0.04 -0.55 8.43 8.40 1t9bB1 GLY 95 HA2 -0.02 -0.01 0.33 -0.51 4.01 3.80 1t9bB1 GLY 95 HA3 -0.02 0.20 0.20 -0.51 4.01 3.88 1t9bB1 GLN 96 H -0.03 0.08 -0.24 -0.55 8.47 7.74 1t9bB1 GLN 96 HA -0.01 0.14 0.47 -0.75 4.36 4.21 1t9bB1 GLN 96 HB2 -0.06 -0.01 0.13 -0.04 2.15 2.18 1t9bB1 GLN 96 HB3 -0.05 0.07 0.07 -0.04 2.02 2.08 1t9bB1 GLN 96 HG2 -0.01 0.12 0.07 -0.04 2.40 2.54 1t9bB1 GLN 96 HG3 -0.02 -0.09 0.09 -0.04 2.39 2.33 1t9bB1 GLN 96 HE21 -0.00 0.02 0.04 -0.04 6.97 6.99 1t9bB1 GLN 96 HE22 -0.01 0.06 0.03 -0.04 7.69 7.74 1t9bB1 ILE 97 H -0.11 0.47 -0.28 -0.55 8.25 7.78 1t9bB1 ILE 97 HA -0.56 0.05 0.42 -0.75 4.18 3.33 1t9bB1 ILE 97 HB -0.14 0.09 0.13 -0.04 1.89 1.93 1t9bB1 ILE 97 HG12 -0.88 -0.03 -0.02 -0.04 1.49 0.52 1t9bB1 ILE 97 HG13 -0.26 0.05 -0.09 -0.04 1.21 0.87 1t9bB1 ILE 97 HG23 -0.33 -0.01 -0.15 -0.04 0.93 0.40 1t9bB1 ILE 97 HD13 -0.05 -0.01 -0.14 -0.04 0.88 0.64 1t9bB1 PHE 98 H 0.06 0.52 -0.20 -0.55 8.34 8.16 1t9bB1 PHE 98 HA -0.13 -0.00 0.30 -0.75 4.62 4.04 1t9bB1 PHE 98 HB2 -0.13 -0.05 0.05 -0.04 3.15 2.97 1t9bB1 PHE 98 HB3 -0.12 0.22 0.17 -0.04 3.06 3.29 1t9bB1 PHE 98 HD2 -0.24 0.01 -0.19 -0.04 7.28 6.81 1t9bB1 PHE 98 HE2 -1.48 0.01 -0.15 -0.04 7.38 5.72 1t9bB1 PHE 98 HZ -0.57 0.04 -0.15 -0.04 7.32 6.60 1t9bB1 ASN 99 H 0.14 0.51 -0.14 -0.55 8.53 8.49 1t9bB1 ASN 99 HA 0.17 0.01 0.28 -0.75 4.76 4.46 1t9bB1 ASN 99 HB2 0.11 0.02 0.00 -0.04 2.88 2.98 1t9bB1 ASN 99 HB3 0.02 0.10 0.12 -0.04 2.79 2.99 1t9bB1 ASN 99 HD21 -0.06 -0.09 -0.01 -0.04 7.03 6.83 1t9bB1 ASN 99 HD22 -0.01 -0.01 -0.01 -0.04 7.74 7.66 1t9bB1 GLU 100 H -0.09 0.48 -0.30 -0.55 8.60 8.14 1t9bB1 GLU 100 HA -0.02 0.01 0.41 -0.75 4.29 3.94 1t9bB1 GLU 100 HB2 -0.16 0.16 0.17 -0.04 2.09 2.22 1t9bB1 GLU 100 HB3 -0.10 0.02 -0.01 -0.04 1.99 1.87 1t9bB1 GLU 100 HG2 0.16 -0.03 -0.01 -0.04 2.34 2.41 1t9bB1 GLU 100 HG3 0.11 -0.02 0.02 -0.04 2.34 2.41 1t9bB1 MET 101 H -0.16 0.59 -0.14 -0.55 8.47 8.21 1t9bB1 MET 101 HA -0.04 0.03 0.43 -0.75 4.52 4.18 1t9bB1 MET 101 HB2 -0.25 0.09 0.08 -0.04 2.15 2.03 1t9bB1 MET 101 HB3 -0.12 -0.04 -0.03 -0.04 2.03 1.79 1t9bB1 MET 101 HG2 -0.09 0.23 -0.01 -0.04 2.63 2.71 1t9bB1 MET 101 HG3 0.02 -0.11 -0.08 -0.04 2.56 2.34 1t9bB1 MET 101 HE3 0.04 0.04 -0.05 -0.04 2.10 2.08 1t9bB1 MET 102 H -0.26 0.46 -0.33 -0.55 8.47 7.79 1t9bB1 MET 102 HA -0.30 0.02 0.34 -0.75 4.52 3.82 1t9bB1 MET 102 HB2 0.01 0.19 0.08 -0.04 2.15 2.39 1t9bB1 MET 102 HB3 -0.16 0.02 -0.09 -0.04 2.03 1.77 1t9bB1 MET 102 HG2 -0.83 0.21 -0.08 -0.04 2.63 1.88 1t9bB1 MET 102 HG3 -0.43 -0.06 -0.13 -0.04 2.56 1.90 1t9bB1 MET 102 HE3 -0.62 -0.00 -0.18 -0.04 2.10 1.25 1t9bB1 SER 103 H -0.03 0.31 -0.14 -0.55 8.46 8.06 1t9bB1 SER 103 HA 0.00 0.16 0.46 -0.75 4.49 4.36 1t9bB1 SER 103 HB2 0.00 -0.03 0.06 -0.04 3.95 3.94 1t9bB1 SER 103 HB3 0.02 0.01 0.12 -0.04 3.93 4.04 1t9bB1 ARG 104 H -0.06 0.30 -0.31 -0.55 8.46 7.84 1t9bB1 ARG 104 HA -0.04 0.04 0.52 -0.75 4.34 4.11 1t9bB1 ARG 104 HB2 -0.05 0.00 0.10 -0.04 1.90 1.91 1t9bB1 ARG 104 HB3 -0.03 0.00 0.11 -0.04 1.80 1.84 1t9bB1 ARG 104 HG2 0.01 0.00 0.02 -0.04 1.67 1.65 1t9bB1 ARG 104 HG3 0.03 0.29 0.07 -0.04 1.67 2.01 1t9bB1 ARG 104 HD2 0.12 0.00 -0.02 -0.04 3.22 3.28 1t9bB1 ARG 104 HD3 0.02 0.03 0.05 -0.04 3.22 3.28 1t9bB1 GLN 105 H -0.19 0.35 -0.42 -0.55 8.47 7.66 1t9bB1 GLN 105 HA -0.23 0.09 0.68 -0.75 4.36 4.15 1t9bB1 GLN 105 HB2 -0.60 0.09 0.11 -0.04 2.15 1.70 1t9bB1 GLN 105 HB3 -1.02 -0.04 0.10 -0.04 2.02 1.03 1t9bB1 GLN 105 HG2 -0.37 0.03 -0.12 -0.04 2.40 1.90 1t9bB1 GLN 105 HG3 -1.12 -0.10 -0.10 -0.04 2.39 1.02 1t9bB1 GLN 105 HE21 -0.03 -0.05 -0.02 -0.04 6.97 6.82 1t9bB1 GLN 105 HE22 -0.09 -0.04 -0.13 -0.04 7.69 7.38 1t9bB1 ASN 106 H -0.08 0.27 -0.61 -0.55 8.53 7.56 1t9bB1 ASN 106 HA -0.02 0.06 0.27 -0.75 4.76 4.32 1t9bB1 ASN 106 HB2 -0.03 -0.04 -0.21 -0.04 2.88 2.56 1t9bB1 ASN 106 HB3 -0.01 0.16 0.08 -0.04 2.79 2.97 1t9bB1 ASN 106 HD21 0.01 -0.04 0.04 -0.04 7.03 7.00 1t9bB1 ASN 106 HD22 0.01 0.01 0.03 -0.04 7.74 7.75 1t9bB1 VAL 107 H -0.07 0.50 -0.14 -0.55 8.24 7.98 1t9bB1 VAL 107 HA 0.05 0.11 0.64 -0.75 4.13 4.17 1t9bB1 VAL 107 HB -0.10 -0.06 0.00 -0.04 2.12 1.91 1t9bB1 VAL 107 HG13 -0.14 -0.03 -0.19 -0.04 0.97 0.57 1t9bB1 VAL 107 HG23 -0.01 0.00 -0.09 -0.04 0.95 0.82 1t9bB1 ASP 108 H 0.07 0.16 0.21 -0.55 8.40 8.30 1t9bB1 ASP 108 HA 0.13 0.34 1.01 -0.75 4.63 5.35 1t9bB1 ASP 108 HB2 0.08 -0.04 0.15 -0.04 2.71 2.85 1t9bB1 ASP 108 HB3 0.08 0.04 -0.02 -0.04 2.70 2.75 1t9bB1 THR 109 H -0.09 0.13 0.10 -0.55 8.28 7.87 1t9bB1 THR 109 HA -0.15 0.30 0.91 -0.75 4.39 4.69 1t9bB1 THR 109 HB -0.69 -0.03 0.00 -0.04 4.32 3.57 1t9bB1 THR 109 HG23 -0.84 -0.01 -0.17 -0.04 1.22 0.16 1t9bB1 VAL 110 H -0.41 0.70 0.29 -0.55 8.24 8.27 1t9bB1 VAL 110 HA -0.30 0.22 0.91 -0.75 4.13 4.20 1t9bB1 VAL 110 HB -0.26 -0.01 -0.04 -0.04 2.12 1.77 1t9bB1 VAL 110 HG13 -0.14 -0.03 -0.33 -0.04 0.97 0.42 1t9bB1 VAL 110 HG23 -0.78 -0.01 -0.33 -0.04 0.95 -0.20 1t9bB1 PHE 111 H -0.01 0.78 0.35 -0.55 8.34 8.91 1t9bB1 PHE 111 HA -0.39 0.25 1.04 -0.75 4.62 4.77 1t9bB1 PHE 111 HB2 -0.11 -0.00 0.16 -0.04 3.15 3.17 1t9bB1 PHE 111 HB3 -0.10 -0.10 0.10 -0.04 3.06 2.92 1t9bB1 PHE 111 HD2 -0.14 0.05 -0.04 -0.04 7.28 7.11 1t9bB1 PHE 111 HE2 -0.35 0.05 -0.13 -0.04 7.38 6.90 1t9bB1 PHE 111 HZ -0.07 0.12 -0.11 -0.04 7.32 7.22 1t9bB1 GLY 112 H -0.30 0.67 0.34 -0.55 8.43 8.59 1t9bB1 GLY 112 HA2 0.18 -0.07 0.50 -0.51 4.01 4.12 1t9bB1 GLY 112 HA3 0.29 0.15 0.39 -0.51 4.01 4.33 1t9bB1 TYR 113 H 0.39 0.46 0.28 -0.55 8.29 8.87 1t9bB1 TYR 113 HA 0.17 0.21 0.74 -0.75 4.56 4.93 1t9bB1 TYR 113 HB2 0.08 -0.05 -0.26 -0.04 3.06 2.79 1t9bB1 TYR 113 HB3 0.02 -0.15 0.07 -0.04 2.98 2.89 1t9bB1 TYR 113 HD2 0.01 0.08 -0.13 -0.04 7.15 7.08 1t9bB1 TYR 113 HE2 -0.00 0.03 0.00 -0.04 6.85 6.84 1t9bB1 PRO 114 HA -0.88 0.04 0.41 -0.51 4.44 3.50 1t9bB1 PRO 114 HB2 -0.53 -0.02 -0.04 -0.04 2.28 1.66 1t9bB1 PRO 114 HB3 -1.35 0.08 0.03 -0.04 2.02 0.73 1t9bB1 PRO 114 HG2 -0.47 -0.01 0.00 -0.04 2.03 1.51 1t9bB1 PRO 114 HG3 -0.42 0.10 0.01 -0.04 2.03 1.68 1t9bB1 PRO 114 HD2 -0.76 0.14 0.20 -0.04 3.68 3.21 1t9bB1 PRO 114 HD3 -0.29 0.21 0.06 -0.04 3.65 3.59 1t9bB1 GLY 115 H -0.27 0.31 0.15 -0.55 8.43 8.08 1t9bB1 GLY 115 HA2 -0.05 0.17 0.45 -0.51 4.01 4.07 1t9bB1 GLY 115 HA3 -0.04 -0.02 0.35 -0.51 4.01 3.79 1t9bB1 GLY 116 H -0.00 0.20 0.14 -0.55 8.43 8.23 1t9bB1 GLY 116 HA2 -0.00 0.15 0.39 -0.51 4.01 4.03 1t9bB1 GLY 116 HA3 0.04 0.08 0.37 -0.51 4.01 3.99 1t9bB1 ALA 117 H -0.01 0.06 -0.03 -0.55 8.40 7.88 1t9bB1 ALA 117 HA 0.01 0.11 0.40 -0.75 4.34 4.11 1t9bB1 ALA 117 HB3 -0.01 -0.01 -0.09 -0.04 1.41 1.26 1t9bB1 ILE 118 H 0.01 0.08 -0.43 -0.55 8.25 7.35 1t9bB1 ILE 118 HA 0.02 0.22 0.79 -0.75 4.18 4.45 1t9bB1 ILE 118 HB 0.07 -0.09 -0.02 -0.04 1.89 1.80 1t9bB1 ILE 118 HG12 0.19 0.14 -0.20 -0.04 1.49 1.59 1t9bB1 ILE 118 HG13 0.16 -0.11 0.04 -0.04 1.21 1.26 1t9bB1 ILE 118 HG23 0.10 0.01 -0.21 -0.04 0.93 0.79 1t9bB1 ILE 118 HD13 -0.07 0.02 -0.07 -0.04 0.88 0.71 1t9bB1 LEU 119 H 0.01 0.42 -0.19 -0.55 8.37 8.06 1t9bB1 LEU 119 HA 0.04 -0.02 0.35 -0.75 4.35 3.97 1t9bB1 LEU 119 HB2 -0.01 0.17 0.19 -0.04 1.64 1.95 1t9bB1 LEU 119 HB3 -0.01 -0.02 -0.03 -0.04 1.64 1.54 1t9bB1 LEU 119 HG -0.04 0.10 0.03 -0.04 1.64 1.68 1t9bB1 LEU 119 HD13 -0.03 -0.01 0.00 -0.04 0.93 0.86 1t9bB1 LEU 119 HD23 -0.08 -0.02 -0.03 -0.04 0.89 0.71 1t9bB1 PRO 120 HA -0.01 0.08 0.37 -0.51 4.44 4.38 1t9bB1 PRO 120 HB2 -0.02 -0.03 -0.17 -0.04 2.28 2.02 1t9bB1 PRO 120 HB3 -0.01 0.07 -0.18 -0.04 2.02 1.86 1t9bB1 PRO 120 HG2 -0.00 0.10 0.08 -0.04 2.03 2.17 1t9bB1 PRO 120 HG3 -0.00 0.03 0.03 -0.04 2.03 2.05 1t9bB1 PRO 120 HD2 0.00 0.15 -0.24 -0.04 3.68 3.56 1t9bB1 PRO 120 HD3 0.00 0.14 0.04 -0.04 3.65 3.79 1t9bB1 VAL 121 H -0.03 0.31 -0.33 -0.55 8.24 7.64 1t9bB1 VAL 121 HA -0.11 0.04 0.53 -0.75 4.13 3.84 1t9bB1 VAL 121 HB -0.21 0.11 0.06 -0.04 2.12 2.03 1t9bB1 VAL 121 HG13 -0.77 0.02 -0.14 -0.04 0.97 0.05 1t9bB1 VAL 121 HG23 -0.26 -0.02 -0.06 -0.04 0.95 0.58 1t9bB1 TYR 122 H 0.15 0.35 -0.05 -0.55 8.29 8.19 1t9bB1 TYR 122 HA -0.06 0.09 0.32 -0.75 4.56 4.16 1t9bB1 TYR 122 HB2 -0.08 -0.02 0.09 -0.04 3.06 3.01 1t9bB1 TYR 122 HB3 -0.10 0.02 -0.09 -0.04 2.98 2.76 1t9bB1 TYR 122 HD2 -0.17 0.08 -0.13 -0.04 7.15 6.89 1t9bB1 TYR 122 HE2 -0.22 0.04 -0.26 -0.04 6.85 6.37 1t9bB1 ASP 123 H 0.04 0.64 -0.14 -0.55 8.40 8.40 1t9bB1 ASP 123 HA -0.02 0.03 0.40 -0.75 4.63 4.30 1t9bB1 ASP 123 HB2 -0.02 -0.05 0.05 -0.04 2.71 2.65 1t9bB1 ASP 123 HB3 -0.01 0.07 0.06 -0.04 2.70 2.78 1t9bB1 ALA 124 H -0.00 0.23 -0.50 -0.55 8.40 7.58 1t9bB1 ALA 124 HA 0.01 0.05 0.42 -0.75 4.34 4.06 1t9bB1 ALA 124 HB3 0.01 0.02 -0.11 -0.04 1.41 1.28 1t9bB1 ILE 125 H -0.01 0.30 -0.31 -0.55 8.25 7.69 1t9bB1 ILE 125 HA -0.01 0.17 0.80 -0.75 4.18 4.38 1t9bB1 ILE 125 HB 0.19 -0.01 0.08 -0.04 1.89 2.11 1t9bB1 ILE 125 HG12 -0.17 0.05 0.05 -0.04 1.49 1.39 1t9bB1 ILE 125 HG13 -0.11 0.05 -0.25 -0.04 1.21 0.86 1t9bB1 ILE 125 HG23 0.26 0.02 -0.12 -0.04 0.93 1.05 1t9bB1 ILE 125 HD13 -0.24 -0.03 -0.15 -0.04 0.88 0.42 1t9bB1 HIS 126 H 0.08 0.25 -0.53 -0.55 8.41 7.66 1t9bB1 HIS 126 HA -0.08 -0.04 0.44 -0.75 4.63 4.20 1t9bB1 HIS 126 HB2 -0.04 0.01 0.15 -0.04 3.26 3.35 1t9bB1 HIS 126 HB3 -0.04 0.09 0.14 -0.04 3.20 3.34 1t9bB1 HIS 126 HD2 -0.06 -0.02 0.01 -0.04 6.97 6.86 1t9bB1 HIS 126 HE1 -0.03 -0.03 -0.04 -0.04 7.75 7.60 1t9bB1 ASN 127 H -0.28 0.12 0.22 -0.55 8.53 8.04 1t9bB1 ASN 127 HA -0.24 0.03 0.32 -0.75 4.76 4.12 1t9bB1 ASN 127 HB2 -0.32 0.20 -0.21 -0.04 2.88 2.51 1t9bB1 ASN 127 HB3 -0.20 -0.03 0.18 -0.04 2.79 2.70 1t9bB1 ASN 127 HD21 -0.24 -0.04 -0.03 -0.04 7.03 6.68 1t9bB1 ASN 127 HD22 -0.23 0.01 -0.06 -0.04 7.74 7.42 1t9bB1 SER 128 H -0.20 0.39 -0.53 -0.55 8.46 7.57 1t9bB1 SER 128 HA -0.18 0.02 0.39 -0.75 4.49 3.97 1t9bB1 SER 128 HB2 -0.20 0.06 -0.00 -0.04 3.95 3.76 1t9bB1 SER 128 HB3 -0.53 0.08 0.09 -0.04 3.93 3.53 1t9bB1 ASP 129 H -0.16 0.12 0.17 -0.55 8.40 7.98 1t9bB1 ASP 129 HA -0.16 0.28 0.81 -0.75 4.63 4.80 1t9bB1 ASP 129 HB2 -0.07 0.02 0.16 -0.04 2.71 2.77 1t9bB1 ASP 129 HB3 -0.09 0.04 0.05 -0.04 2.70 2.66 1t9bB1 LYS 130 H -0.34 0.01 -0.28 -0.55 8.42 7.25 1t9bB1 LYS 130 HA -0.06 0.08 0.47 -0.75 4.32 4.06 1t9bB1 LYS 130 HB2 -0.31 -0.02 -0.02 -0.04 1.87 1.48 1t9bB1 LYS 130 HB3 0.09 0.07 -0.01 -0.04 1.79 1.90 1t9bB1 LYS 130 HG2 -0.03 0.02 0.02 -0.04 1.46 1.42 1t9bB1 LYS 130 HG3 -0.10 -0.11 0.00 -0.04 1.46 1.21 1t9bB1 LYS 130 HD2 0.00 -0.02 -0.06 -0.04 1.69 1.58 1t9bB1 LYS 130 HD3 0.04 0.01 0.03 -0.04 1.68 1.72 1t9bB1 LYS 130 HE2 -0.03 -0.04 -0.07 -0.04 2.99 2.81 1t9bB1 LYS 130 HE3 -0.01 -0.05 -0.33 -0.04 2.99 2.56 1t9bB1 PHE 131 H -0.54 0.17 -0.32 -0.55 8.34 7.09 1t9bB1 PHE 131 HA -0.02 0.19 0.43 -0.75 4.62 4.46 1t9bB1 PHE 131 HB2 -0.05 -0.01 -0.61 -0.04 3.15 2.44 1t9bB1 PHE 131 HB3 -0.03 0.34 -0.40 -0.04 3.06 2.93 1t9bB1 PHE 131 HD2 -0.01 0.12 -0.60 -0.04 7.28 6.75 1t9bB1 PHE 131 HE2 0.08 -0.02 -0.15 -0.04 7.38 7.24 1t9bB1 PHE 131 HZ 0.07 -0.07 -0.11 -0.04 7.32 7.16 1t9bB1 ASN 132 H 0.13 0.77 0.25 -0.55 8.53 9.14 1t9bB1 ASN 132 HA 0.07 0.06 0.68 -0.75 4.76 4.82 1t9bB1 ASN 132 HB2 0.03 0.00 0.11 -0.04 2.88 2.98 1t9bB1 ASN 132 HB3 -0.02 0.05 0.21 -0.04 2.79 2.99 1t9bB1 ASN 132 HD21 0.00 0.05 -0.04 -0.04 7.03 7.00 1t9bB1 ASN 132 HD22 0.00 0.05 -0.01 -0.04 7.74 7.74 1t9bB1 PHE 133 H 0.19 0.18 0.20 -0.55 8.34 8.36 1t9bB1 PHE 133 HA -0.02 0.25 0.98 -0.75 4.62 5.08 1t9bB1 PHE 133 HB2 0.14 0.03 -0.02 -0.04 3.15 3.26 1t9bB1 PHE 133 HB3 0.05 -0.04 0.09 -0.04 3.06 3.12 1t9bB1 PHE 133 HD2 0.10 -0.01 -0.28 -0.04 7.28 7.04 1t9bB1 PHE 133 HE2 0.01 -0.01 -0.22 -0.04 7.38 7.12 1t9bB1 PHE 133 HZ 0.35 -0.16 -0.38 -0.04 7.32 7.08 1t9bB1 VAL 134 H -0.80 0.71 0.39 -0.55 8.24 7.99 1t9bB1 VAL 134 HA -0.02 0.20 0.99 -0.75 4.13 4.55 1t9bB1 VAL 134 HB -0.40 -0.08 0.09 -0.04 2.12 1.69 1t9bB1 VAL 134 HG13 0.15 -0.01 -0.20 -0.04 0.97 0.87 1t9bB1 VAL 134 HG23 -0.26 0.04 -0.21 -0.04 0.95 0.48 1t9bB1 LEU 135 H 0.14 0.24 0.12 -0.55 8.37 8.32 1t9bB1 LEU 135 HA 0.23 0.34 1.01 -0.75 4.35 5.17 1t9bB1 LEU 135 HB2 0.35 -0.03 0.02 -0.04 1.64 1.94 1t9bB1 LEU 135 HB3 0.17 -0.01 0.16 -0.04 1.64 1.92 1t9bB1 LEU 135 HG 0.19 0.24 -0.11 -0.04 1.64 1.93 1t9bB1 LEU 135 HD13 -0.02 0.03 0.13 -0.04 0.93 1.02 1t9bB1 LEU 135 HD23 0.03 -0.03 -0.00 -0.04 0.89 0.84 1t9bB1 PRO 136 HA 0.13 0.15 0.60 -0.51 4.44 4.80 1t9bB1 PRO 136 HB2 0.10 -0.22 0.10 -0.04 2.28 2.22 1t9bB1 PRO 136 HB3 0.12 0.11 -0.14 -0.04 2.02 2.07 1t9bB1 PRO 136 HG2 0.20 -0.08 -0.41 -0.04 2.03 1.70 1t9bB1 PRO 136 HG3 0.14 -0.08 -0.13 -0.04 2.03 1.92 1t9bB1 PRO 136 HD2 0.33 0.35 0.21 -0.04 3.68 4.53 1t9bB1 PRO 136 HD3 0.17 0.24 0.16 -0.04 3.65 4.18 1t9bB1 LYS 137 H 0.10 0.02 0.13 -0.55 8.42 8.12 1t9bB1 LYS 137 HA 0.19 0.28 0.81 -0.75 4.32 4.85 1t9bB1 LYS 137 HB2 0.06 -0.10 -0.04 -0.04 1.87 1.75 1t9bB1 LYS 137 HB3 0.06 -0.01 0.04 -0.04 1.79 1.84 1t9bB1 LYS 137 HG2 0.09 -0.03 -0.13 -0.04 1.46 1.35 1t9bB1 LYS 137 HG3 0.06 0.07 -0.00 -0.04 1.46 1.55 1t9bB1 LYS 137 HD2 0.11 -0.05 0.03 -0.04 1.69 1.74 1t9bB1 LYS 137 HD3 0.16 0.14 -0.09 -0.04 1.68 1.85 1t9bB1 LYS 137 HE2 0.07 -0.02 -0.02 -0.04 2.99 2.98 1t9bB1 LYS 137 HE3 0.09 0.02 -0.04 -0.04 2.99 3.02 1t9bB1 HIS 138 H 0.08 0.08 0.08 -0.55 8.41 8.10 1t9bB1 HIS 138 HA -0.25 0.21 0.73 -0.75 4.63 4.57 1t9bB1 HIS 138 HB2 -0.08 0.12 -0.17 -0.04 3.26 3.10 1t9bB1 HIS 138 HB3 -0.06 -0.10 0.07 -0.04 3.20 3.07 1t9bB1 HIS 138 HD2 -0.07 0.07 0.03 -0.04 6.97 6.96 1t9bB1 HIS 138 HE1 -0.07 0.10 0.10 -0.04 7.75 7.84 1t9bB1 GLU 139 H -0.43 0.24 0.10 -0.55 8.60 7.96 1t9bB1 GLU 139 HA 0.00 0.10 0.31 -0.75 4.29 3.95 1t9bB1 GLU 139 HB2 -0.15 -0.03 0.07 -0.04 2.09 1.94 1t9bB1 GLU 139 HB3 -0.03 0.09 -0.12 -0.04 1.99 1.89 1t9bB1 GLU 139 HG2 -0.04 0.10 0.10 -0.04 2.34 2.46 1t9bB1 GLU 139 HG3 -0.01 0.02 0.02 -0.04 2.34 2.33 1t9bB1 GLN 140 H 0.65 0.07 -0.19 -0.55 8.47 8.45 1t9bB1 GLN 140 HA -0.08 0.16 0.45 -0.75 4.36 4.13 1t9bB1 GLN 140 HB2 0.01 0.11 0.15 -0.04 2.15 2.39 1t9bB1 GLN 140 HB3 -0.17 -0.06 0.03 -0.04 2.02 1.78 1t9bB1 GLN 140 HG2 -0.06 -0.02 -0.22 -0.04 2.40 2.06 1t9bB1 GLN 140 HG3 -0.18 -0.02 0.03 -0.04 2.39 2.18 1t9bB1 GLN 140 HE21 0.09 0.05 -0.08 -0.04 6.97 6.99 1t9bB1 GLN 140 HE22 0.55 -0.03 -0.14 -0.04 7.69 8.03 1t9bB1 GLY 141 H 0.09 0.21 -0.37 -0.55 8.43 7.81 1t9bB1 GLY 141 HA2 0.04 0.04 0.41 -0.51 4.01 3.98 1t9bB1 GLY 141 HA3 0.04 -0.00 0.31 -0.51 4.01 3.84 1t9bB1 ALA 142 H 0.04 0.24 -0.16 -0.55 8.40 7.97 1t9bB1 ALA 142 HA 0.05 0.09 0.35 -0.75 4.34 4.07 1t9bB1 ALA 142 HB3 0.09 0.04 -0.09 -0.04 1.41 1.41 1t9bB1 GLY 143 H -0.08 0.46 -0.23 -0.55 8.43 8.04 1t9bB1 GLY 143 HA2 -0.09 0.08 0.32 -0.51 4.01 3.81 1t9bB1 GLY 143 HA3 -0.16 0.01 0.26 -0.51 4.01 3.61 1t9bB1 HIS 144 H -0.19 0.52 -0.08 -0.55 8.41 8.11 1t9bB1 HIS 144 HA 0.01 0.04 0.40 -0.75 4.63 4.33 1t9bB1 HIS 144 HB2 -0.09 0.05 0.05 -0.04 3.26 3.23 1t9bB1 HIS 144 HB3 -0.20 -0.02 -0.02 -0.04 3.20 2.92 1t9bB1 HIS 144 HD2 -0.02 -0.02 -0.19 -0.04 6.97 6.70 1t9bB1 HIS 144 HE1 0.05 -0.02 -0.21 -0.04 7.75 7.53 1t9bB1 MET 145 H -0.14 0.50 -0.36 -0.55 8.47 7.92 1t9bB1 MET 145 HA -0.22 0.19 0.32 -0.75 4.52 4.05 1t9bB1 MET 145 HB2 -0.39 0.10 0.12 -0.04 2.15 1.94 1t9bB1 MET 145 HB3 -0.59 0.02 -0.08 -0.04 2.03 1.34 1t9bB1 MET 145 HG2 -0.03 0.06 0.05 -0.04 2.63 2.67 1t9bB1 MET 145 HG3 -0.05 0.06 0.05 -0.04 2.56 2.58 1t9bB1 MET 145 HE3 0.07 -0.06 -0.11 -0.04 2.10 1.96 1t9bB1 ALA 146 H -0.47 0.48 -0.25 -0.55 8.40 7.62 1t9bB1 ALA 146 HA -0.71 0.06 0.35 -0.75 4.34 3.29 1t9bB1 ALA 146 HB3 -0.14 0.03 -0.06 -0.04 1.41 1.20 1t9bB1 GLU 147 H -0.08 0.32 -0.33 -0.55 8.60 7.97 1t9bB1 GLU 147 HA 0.04 0.12 0.38 -0.75 4.29 4.08 1t9bB1 GLU 147 HB2 0.19 0.04 0.09 -0.04 2.09 2.38 1t9bB1 GLU 147 HB3 0.20 -0.04 -0.07 -0.04 1.99 2.04 1t9bB1 GLU 147 HG2 0.07 0.05 -0.07 -0.04 2.34 2.35 1t9bB1 GLU 147 HG3 0.07 0.27 0.00 -0.04 2.34 2.64 1t9bB1 GLY 148 H -0.11 0.53 -0.13 -0.55 8.43 8.18 1t9bB1 GLY 148 HA2 -0.04 -0.04 0.32 -0.51 4.01 3.74 1t9bB1 GLY 148 HA3 -0.12 0.13 0.37 -0.51 4.01 3.88 1t9bB1 TYR 149 H -0.00 0.51 -0.35 -0.55 8.29 7.90 1t9bB1 TYR 149 HA 0.03 0.13 0.15 -0.75 4.56 4.12 1t9bB1 TYR 149 HB2 0.08 -0.02 0.02 -0.04 3.06 3.10 1t9bB1 TYR 149 HB3 -0.07 0.04 0.12 -0.04 2.98 3.03 1t9bB1 TYR 149 HD2 0.18 0.07 -0.21 -0.04 7.15 7.14 1t9bB1 TYR 149 HE2 0.09 0.10 -0.18 -0.04 6.85 6.81 1t9bB1 ALA 150 H 0.13 0.48 -0.18 -0.55 8.40 8.29 1t9bB1 ALA 150 HA 0.01 0.23 0.49 -0.75 4.34 4.32 1t9bB1 ALA 150 HB3 0.08 -0.05 0.16 -0.04 1.41 1.56 1t9bB1 ARG 151 H 0.01 0.58 -0.11 -0.55 8.46 8.39 1t9bB1 ARG 151 HA 0.01 0.04 0.40 -0.75 4.34 4.03 1t9bB1 ARG 151 HB2 0.02 0.06 0.08 -0.04 1.90 2.01 1t9bB1 ARG 151 HB3 0.02 -0.04 -0.07 -0.04 1.80 1.67 1t9bB1 ARG 151 HG2 0.04 0.06 -0.02 -0.04 1.67 1.70 1t9bB1 ARG 151 HG3 0.06 -0.18 -0.09 -0.04 1.67 1.43 1t9bB1 ARG 151 HD2 0.00 0.03 0.05 -0.04 3.22 3.26 1t9bB1 ARG 151 HD3 0.01 0.09 0.01 -0.04 3.22 3.28 1t9bB1 ALA 152 H -0.06 0.37 -0.33 -0.55 8.40 7.83 1t9bB1 ALA 152 HA 0.01 0.16 0.64 -0.75 4.34 4.39 1t9bB1 ALA 152 HB3 -0.03 -0.02 0.07 -0.04 1.41 1.39 1t9bB1 SER 153 H -0.22 0.32 -0.07 -0.55 8.46 7.95 1t9bB1 SER 153 HA -0.18 0.21 0.96 -0.75 4.49 4.73 1t9bB1 SER 153 HB2 -0.23 -0.05 0.08 -0.04 3.95 3.71 1t9bB1 SER 153 HB3 -0.43 0.01 0.04 -0.04 3.93 3.50 1t9bB1 GLY 154 H -0.15 0.58 0.11 -0.55 8.43 8.43 1t9bB1 GLY 154 HA2 -0.10 0.03 0.34 -0.51 4.01 3.78 1t9bB1 GLY 154 HA3 -0.14 0.06 0.64 -0.51 4.01 4.06 1t9bB1 LYS 155 H -0.09 0.03 -0.19 -0.55 8.42 7.62 1t9bB1 LYS 155 HA 0.06 0.19 0.84 -0.75 4.32 4.65 1t9bB1 LYS 155 HB2 0.14 -0.05 -0.04 -0.04 1.87 1.88 1t9bB1 LYS 155 HB3 0.18 0.06 0.05 -0.04 1.79 2.04 1t9bB1 LYS 155 HG2 0.03 0.02 -0.08 -0.04 1.46 1.38 1t9bB1 LYS 155 HG3 -0.04 0.05 -0.23 -0.04 1.46 1.21 1t9bB1 LYS 155 HD2 0.03 -0.03 0.01 -0.04 1.69 1.66 1t9bB1 LYS 155 HD3 0.10 -0.04 0.00 -0.04 1.68 1.70 1t9bB1 LYS 155 HE2 0.16 -0.01 0.07 -0.04 2.99 3.17 1t9bB1 LYS 155 HE3 0.07 -0.01 0.06 -0.04 2.99 3.07 1t9bB1 PRO 156 HA 0.09 0.24 0.39 -0.51 4.44 4.65 1t9bB1 PRO 156 HB2 -0.01 -0.08 -0.23 -0.04 2.28 1.93 1t9bB1 PRO 156 HB3 0.05 0.02 -0.11 -0.04 2.02 1.94 1t9bB1 PRO 156 HG2 0.32 -0.01 0.02 -0.04 2.03 2.32 1t9bB1 PRO 156 HG3 0.34 0.03 0.02 -0.04 2.03 2.38 1t9bB1 PRO 156 HD2 0.17 0.11 0.20 -0.04 3.68 4.12 1t9bB1 PRO 156 HD3 0.12 0.17 0.15 -0.04 3.65 4.05 1t9bB1 GLY 157 H 0.09 0.52 0.31 -0.55 8.43 8.80 1t9bB1 GLY 157 HA2 0.19 0.12 0.68 -0.51 4.01 4.49 1t9bB1 GLY 157 HA3 0.10 0.03 0.35 -0.51 4.01 3.98 1t9bB1 VAL 158 H 0.09 0.26 0.20 -0.55 8.24 8.24 1t9bB1 VAL 158 HA 0.07 0.22 1.08 -0.75 4.13 4.75 1t9bB1 VAL 158 HB 0.01 0.11 0.25 -0.04 2.12 2.46 1t9bB1 VAL 158 HG13 0.28 -0.02 -0.14 -0.04 0.97 1.04 1t9bB1 VAL 158 HG23 0.20 0.04 -0.11 -0.04 0.95 1.05 1t9bB1 VAL 159 H 0.10 0.61 0.39 -0.55 8.24 8.80 1t9bB1 VAL 159 HA 0.12 0.49 1.11 -0.75 4.13 5.09 1t9bB1 VAL 159 HB 0.03 -0.09 0.10 -0.04 2.12 2.12 1t9bB1 VAL 159 HG13 0.06 -0.03 -0.17 -0.04 0.97 0.80 1t9bB1 VAL 159 HG23 0.02 0.02 -0.27 -0.04 0.95 0.67 1t9bB1 LEU 160 H 0.13 0.56 0.29 -0.55 8.37 8.81 1t9bB1 LEU 160 HA 0.19 0.26 1.00 -0.75 4.35 5.05 1t9bB1 LEU 160 HB2 0.09 0.07 -0.20 -0.04 1.64 1.56 1t9bB1 LEU 160 HB3 0.17 -0.02 0.00 -0.04 1.64 1.75 1t9bB1 LEU 160 HG 0.11 -0.08 -0.28 -0.04 1.64 1.34 1t9bB1 LEU 160 HD13 -0.29 0.02 -0.08 -0.04 0.93 0.54 1t9bB1 LEU 160 HD23 -0.45 -0.00 -0.20 -0.04 0.89 0.19 1t9bB1 VAL 161 H 0.14 0.65 0.28 -0.55 8.24 8.75 1t9bB1 VAL 161 HA 0.21 0.32 1.04 -0.75 4.13 4.93 1t9bB1 VAL 161 HB 0.06 -0.14 0.08 -0.04 2.12 2.08 1t9bB1 VAL 161 HG13 0.10 -0.01 -0.16 -0.04 0.97 0.86 1t9bB1 VAL 161 HG23 0.04 0.06 -0.22 -0.04 0.95 0.78 1t9bB1 THR 162 H 0.06 0.18 0.12 -0.55 8.28 8.09 1t9bB1 THR 162 HA 0.04 0.05 0.65 -0.75 4.39 4.37 1t9bB1 THR 162 HB 0.00 0.14 -0.10 -0.04 4.32 4.31 1t9bB1 THR 162 HG23 -0.02 0.09 -0.03 -0.04 1.22 1.22 1t9bB1 SER 163 H -0.03 -0.10 0.03 -0.55 8.46 7.82 1t9bB1 SER 163 HA -0.04 0.29 0.53 -0.75 4.49 4.51 1t9bB1 SER 163 HB2 -0.06 -0.08 0.27 -0.04 3.95 4.04 1t9bB1 SER 163 HB3 -0.04 -0.02 -0.34 -0.04 3.93 3.49 1t9bB1 GLY 164 H -0.07 0.09 0.17 -0.55 8.43 8.07 1t9bB1 GLY 164 HA2 -0.09 0.01 0.12 -0.51 4.01 3.54 1t9bB1 GLY 164 HA3 -0.14 0.09 0.30 -0.51 4.01 3.75 1t9bB1 PRO 165 HA -0.08 0.04 0.41 -0.51 4.44 4.30 1t9bB1 PRO 165 HB2 -0.11 0.06 0.02 -0.04 2.28 2.22 1t9bB1 PRO 165 HB3 -0.08 0.05 0.12 -0.04 2.02 2.06 1t9bB1 PRO 165 HG2 -0.10 0.05 0.08 -0.04 2.03 2.02 1t9bB1 PRO 165 HG3 -0.11 0.06 0.09 -0.04 2.03 2.03 1t9bB1 PRO 165 HD2 -0.16 0.21 0.23 -0.04 3.68 3.92 1t9bB1 PRO 165 HD3 -0.15 0.09 0.19 -0.04 3.65 3.74 1t9bB1 GLY 166 H -0.08 0.48 -0.30 -0.55 8.43 7.98 1t9bB1 GLY 166 HA2 -0.10 0.02 0.41 -0.51 4.01 3.84 1t9bB1 GLY 166 HA3 -0.04 0.03 0.19 -0.51 4.01 3.68 1t9bB1 ALA 167 H -0.05 0.16 -0.51 -0.55 8.40 7.45 1t9bB1 ALA 167 HA -0.03 0.13 0.37 -0.75 4.34 4.05 1t9bB1 ALA 167 HB3 -0.04 0.02 -0.04 -0.04 1.41 1.31 1t9bB1 THR 168 H -0.06 0.51 -0.09 -0.55 8.28 8.10 1t9bB1 THR 168 HA -0.05 0.07 0.38 -0.75 4.39 4.04 1t9bB1 THR 168 HB -0.04 0.01 0.01 -0.04 4.32 4.26 1t9bB1 THR 168 HG23 -0.05 0.03 -0.07 -0.04 1.22 1.08 1t9bB1 ASN 169 H -0.06 0.38 -0.54 -0.55 8.53 7.77 1t9bB1 ASN 169 HA 0.02 0.05 0.40 -0.75 4.76 4.48 1t9bB1 ASN 169 HB2 -0.11 0.24 0.12 -0.04 2.88 3.08 1t9bB1 ASN 169 HB3 -0.05 -0.26 0.07 -0.04 2.79 2.51 1t9bB1 ASN 169 HD21 -0.35 0.00 0.03 -0.04 7.03 6.67 1t9bB1 ASN 169 HD22 -0.50 -0.11 0.05 -0.04 7.74 7.14 1t9bB1 VAL 170 H -0.04 0.44 -0.67 -0.55 8.24 7.42 1t9bB1 VAL 170 HA -0.06 0.15 0.84 -0.75 4.13 4.30 1t9bB1 VAL 170 HB -0.05 -0.02 0.05 -0.04 2.12 2.06 1t9bB1 VAL 170 HG13 -0.02 0.05 -0.20 -0.04 0.97 0.76 1t9bB1 VAL 170 HG23 -0.04 0.06 -0.11 -0.04 0.95 0.82 1t9bB1 VAL 171 H -0.04 0.38 -0.25 -0.55 8.24 7.78 1t9bB1 VAL 171 HA -0.06 0.10 0.37 -0.75 4.13 3.79 1t9bB1 VAL 171 HB -0.04 0.04 0.10 -0.04 2.12 2.18 1t9bB1 VAL 171 HG13 -0.05 0.00 -0.14 -0.04 0.97 0.74 1t9bB1 VAL 171 HG23 -0.05 0.00 0.02 -0.04 0.95 0.87 1t9bB1 THR 172 H -0.03 0.14 -0.20 -0.55 8.28 7.63 1t9bB1 THR 172 HA -0.01 0.07 0.34 -0.75 4.39 4.03 1t9bB1 THR 172 HB -0.02 0.05 0.02 -0.04 4.32 4.33 1t9bB1 THR 172 HG23 0.10 0.00 -0.19 -0.04 1.22 1.09 1t9bB1 PRO 173 HA 0.01 0.01 0.33 -0.51 4.44 4.28 1t9bB1 PRO 173 HB2 -0.13 0.15 -0.03 -0.04 2.28 2.24 1t9bB1 PRO 173 HB3 -0.24 0.01 -0.19 -0.04 2.02 1.56 1t9bB1 PRO 173 HG2 -0.28 0.05 0.14 -0.04 2.03 1.89 1t9bB1 PRO 173 HG3 -0.92 0.04 0.03 -0.04 2.03 1.14 1t9bB1 PRO 173 HD2 -0.10 -0.00 -0.39 -0.04 3.68 3.14 1t9bB1 PRO 173 HD3 -0.13 0.03 0.00 -0.04 3.65 3.51 1t9bB1 MET 174 H -0.05 0.46 -0.35 -0.55 8.47 7.99 1t9bB1 MET 174 HA 0.00 0.07 0.46 -0.75 4.52 4.29 1t9bB1 MET 174 HB2 -0.05 0.02 0.14 -0.04 2.15 2.22 1t9bB1 MET 174 HB3 -0.04 0.19 -0.02 -0.04 2.03 2.12 1t9bB1 MET 174 HG2 -0.04 -0.01 -0.05 -0.04 2.63 2.48 1t9bB1 MET 174 HG3 -0.05 0.16 -0.01 -0.04 2.56 2.62 1t9bB1 MET 174 HE3 -0.07 -0.01 -0.25 -0.04 2.10 1.73 1t9bB1 ALA 175 H -0.02 0.61 -0.01 -0.55 8.40 8.44 1t9bB1 ALA 175 HA 0.02 0.11 0.46 -0.75 4.34 4.17 1t9bB1 ALA 175 HB3 -0.02 -0.01 0.08 -0.04 1.41 1.43 1t9bB1 ASP 176 H 0.03 0.50 -0.37 -0.55 8.40 8.01 1t9bB1 ASP 176 HA -0.01 -0.12 0.44 -0.75 4.63 4.19 1t9bB1 ASP 176 HB2 0.07 0.01 0.02 -0.04 2.71 2.76 1t9bB1 ASP 176 HB3 0.10 0.20 0.10 -0.04 2.70 3.06 1t9bB1 ALA 177 H 0.05 0.58 -0.10 -0.55 8.40 8.38 1t9bB1 ALA 177 HA 0.01 -0.03 0.43 -0.75 4.34 4.01 1t9bB1 ALA 177 HB3 0.04 0.09 0.09 -0.04 1.41 1.60 1t9bB1 PHE 178 H 0.17 0.46 -0.26 -0.55 8.34 8.16 1t9bB1 PHE 178 HA -0.01 0.10 0.47 -0.75 4.62 4.43 1t9bB1 PHE 178 HB2 -0.02 0.30 0.06 -0.04 3.15 3.46 1t9bB1 PHE 178 HB3 -0.02 -0.01 0.14 -0.04 3.06 3.12 1t9bB1 PHE 178 HD2 -0.01 -0.03 -0.19 -0.04 7.28 7.01 1t9bB1 PHE 178 HE2 0.00 -0.02 -0.24 -0.04 7.38 7.08 1t9bB1 PHE 178 HZ 0.01 -0.04 -0.08 -0.04 7.32 7.16 1t9bB1 ALA 179 H 0.10 0.39 -0.15 -0.55 8.40 8.19 1t9bB1 ALA 179 HA -0.05 0.09 0.44 -0.75 4.34 4.06 1t9bB1 ALA 179 HB3 -0.00 -0.04 0.08 -0.04 1.41 1.42 1t9bB1 ASP 180 H -0.05 0.39 -0.23 -0.55 8.40 7.96 1t9bB1 ASP 180 HA -0.08 0.07 0.82 -0.75 4.63 4.68 1t9bB1 ASP 180 HB2 -0.09 0.16 0.12 -0.04 2.71 2.86 1t9bB1 ASP 180 HB3 -0.09 0.10 0.14 -0.04 2.70 2.81 1t9bB1 GLY 181 H -0.10 0.26 -0.37 -0.55 8.43 7.67 1t9bB1 GLY 181 HA2 -0.09 0.32 0.33 -0.51 4.01 4.06 1t9bB1 GLY 181 HA3 -0.07 -0.12 0.36 -0.51 4.01 3.68 1t9bB1 ILE 182 H -0.02 0.45 0.00 -0.55 8.25 8.14 1t9bB1 ILE 182 HA -0.00 0.27 0.72 -0.75 4.18 4.41 1t9bB1 ILE 182 HB 0.02 -0.17 0.04 -0.04 1.89 1.74 1t9bB1 ILE 182 HG12 -0.01 0.15 -0.20 -0.04 1.49 1.39 1t9bB1 ILE 182 HG13 -0.03 -0.10 -0.36 -0.04 1.21 0.69 1t9bB1 ILE 182 HG23 0.03 0.02 -0.15 -0.04 0.93 0.79 1t9bB1 ILE 182 HD13 0.01 -0.04 -0.11 -0.04 0.88 0.70 1t9bB1 PRO 183 HA 0.00 0.26 0.51 -0.51 4.44 4.70 1t9bB1 PRO 183 HB2 0.02 -0.07 -0.12 -0.04 2.28 2.08 1t9bB1 PRO 183 HB3 0.01 0.18 0.04 -0.04 2.02 2.21 1t9bB1 PRO 183 HG2 0.04 -0.03 -0.03 -0.04 2.03 1.96 1t9bB1 PRO 183 HG3 0.02 0.13 -0.11 -0.04 2.03 2.03 1t9bB1 PRO 183 HD2 0.01 0.02 0.11 -0.04 3.68 3.78 1t9bB1 PRO 183 HD3 0.01 0.25 0.13 -0.04 3.65 4.00 1t9bB1 MET 184 H -0.02 0.50 0.24 -0.55 8.47 8.64 1t9bB1 MET 184 HA -0.02 0.20 0.77 -0.75 4.52 4.71 1t9bB1 MET 184 HB2 0.00 0.07 -0.39 -0.04 2.15 1.79 1t9bB1 MET 184 HB3 -0.01 -0.11 -0.00 -0.04 2.03 1.87 1t9bB1 MET 184 HG2 -0.05 -0.11 -0.26 -0.04 2.63 2.17 1t9bB1 MET 184 HG3 -0.02 0.21 -0.04 -0.04 2.56 2.67 1t9bB1 MET 184 HE3 -0.02 -0.04 -0.21 -0.04 2.10 1.80 1t9bB1 VAL 185 H -0.12 0.68 0.23 -0.55 8.24 8.48 1t9bB1 VAL 185 HA -0.28 0.18 1.03 -0.75 4.13 4.31 1t9bB1 VAL 185 HB -0.44 -0.00 0.10 -0.04 2.12 1.74 1t9bB1 VAL 185 HG13 -0.80 -0.03 -0.20 -0.04 0.97 -0.10 1t9bB1 VAL 185 HG23 -0.95 0.03 -0.25 -0.04 0.95 -0.26 1t9bB1 VAL 186 H -0.23 0.85 0.34 -0.55 8.24 8.64 1t9bB1 VAL 186 HA -0.06 0.14 1.01 -0.75 4.13 4.46 1t9bB1 VAL 186 HB -0.11 -0.02 0.16 -0.04 2.12 2.11 1t9bB1 VAL 186 HG13 -0.03 -0.04 -0.25 -0.04 0.97 0.61 1t9bB1 VAL 186 HG23 -0.06 0.01 -0.13 -0.04 0.95 0.74 1t9bB1 PHE 187 H 0.18 0.87 0.36 -0.55 8.34 9.18 1t9bB1 PHE 187 HA 0.03 0.23 0.99 -0.75 4.62 5.11 1t9bB1 PHE 187 HB2 0.05 0.07 0.27 -0.04 3.15 3.49 1t9bB1 PHE 187 HB3 -0.00 -0.08 -0.00 -0.04 3.06 2.93 1t9bB1 PHE 187 HD2 0.18 0.07 -0.04 -0.04 7.28 7.44 1t9bB1 PHE 187 HE2 0.22 0.01 -0.12 -0.04 7.38 7.46 1t9bB1 PHE 187 HZ 0.34 0.05 -0.10 -0.04 7.32 7.56 1t9bB1 THR 188 H 0.07 0.50 0.21 -0.55 8.28 8.51 1t9bB1 THR 188 HA 0.06 0.27 0.95 -0.75 4.39 4.91 1t9bB1 THR 188 HB -0.01 0.03 -0.14 -0.04 4.32 4.17 1t9bB1 THR 188 HG23 -0.02 0.01 -0.28 -0.04 1.22 0.89 1t9bB1 GLY 189 H 0.04 0.55 0.15 -0.55 8.43 8.62 1t9bB1 GLY 189 HA2 0.01 0.25 0.46 -0.51 4.01 4.23 1t9bB1 GLY 189 HA3 0.01 -0.17 0.14 -0.51 4.01 3.49 1t9bB1 GLN 190 H -0.00 0.64 0.18 -0.55 8.47 8.74 1t9bB1 GLN 190 HA -0.02 0.06 0.78 -0.75 4.36 4.42 1t9bB1 GLN 190 HB2 -0.02 0.05 -0.26 -0.04 2.15 1.89 1t9bB1 GLN 190 HB3 -0.01 -0.03 -0.39 -0.04 2.02 1.55 1t9bB1 GLN 190 HG2 -0.02 0.01 -0.04 -0.04 2.40 2.31 1t9bB1 GLN 190 HG3 -0.01 0.23 -0.03 -0.04 2.39 2.53 1t9bB1 GLN 190 HE21 -0.04 0.24 0.27 -0.04 6.97 7.39 1t9bB1 GLN 190 HE22 -0.04 -0.02 0.08 -0.04 7.69 7.68 1t9bB1 VAL 191 H -0.02 0.09 0.14 -0.55 8.24 7.91 1t9bB1 VAL 191 HA 0.00 0.10 0.50 -0.75 4.13 3.98 1t9bB1 VAL 191 HB 0.01 0.06 0.07 -0.04 2.12 2.22 1t9bB1 VAL 191 HG13 -0.02 -0.01 -0.07 -0.04 0.97 0.83 1t9bB1 VAL 191 HG23 -0.01 0.01 -0.16 -0.04 0.95 0.75 1t9bB1 PRO 192 HA 0.01 -0.17 0.52 -0.51 4.44 4.29 1t9bB1 PRO 192 HB2 0.01 -0.00 0.08 -0.04 2.28 2.33 1t9bB1 PRO 192 HB3 0.01 0.08 0.16 -0.04 2.02 2.22 1t9bB1 PRO 192 HG2 0.02 0.15 0.10 -0.04 2.03 2.26 1t9bB1 PRO 192 HG3 0.01 0.04 0.14 -0.04 2.03 2.18 1t9bB1 PRO 192 HD2 0.02 0.13 0.21 -0.04 3.68 3.99 1t9bB1 PRO 192 HD3 0.02 0.16 0.28 -0.04 3.65 4.06 1t9bB1 THR 193 H 0.01 0.11 0.21 -0.55 8.28 8.05 1t9bB1 THR 193 HA -0.00 0.10 0.39 -0.75 4.39 4.13 1t9bB1 THR 193 HB 0.00 0.09 0.09 -0.04 4.32 4.47 1t9bB1 THR 193 HG23 0.01 0.02 0.12 -0.04 1.22 1.33 1t9bB1 SER 194 H 0.01 -0.02 -0.35 -0.55 8.46 7.55 1t9bB1 SER 194 HA 0.00 0.20 0.51 -0.75 4.49 4.44 1t9bB1 SER 194 HB2 0.00 0.08 0.08 -0.04 3.95 4.07 1t9bB1 SER 194 HB3 0.00 -0.00 0.06 -0.04 3.93 3.94 1t9bB1 ALA 195 H 0.01 0.47 -0.32 -0.55 8.40 8.00 1t9bB1 ALA 195 HA 0.01 0.25 0.75 -0.75 4.34 4.59 1t9bB1 ALA 195 HB3 0.01 -0.03 0.03 -0.04 1.41 1.39 1t9bB1 ILE 196 H -0.00 0.26 -0.27 -0.55 8.25 7.68 1t9bB1 ILE 196 HA -0.01 -0.14 0.41 -0.75 4.18 3.69 1t9bB1 ILE 196 HB -0.01 0.23 0.12 -0.04 1.89 2.19 1t9bB1 ILE 196 HG12 -0.01 -0.13 -0.02 -0.04 1.49 1.29 1t9bB1 ILE 196 HG13 -0.01 0.12 -0.13 -0.04 1.21 1.16 1t9bB1 ILE 196 HG23 -0.02 -0.02 -0.14 -0.04 0.93 0.72 1t9bB1 ILE 196 HD13 -0.01 0.00 -0.01 -0.04 0.88 0.82 1t9bB1 GLY 197 H -0.01 -0.01 0.20 -0.55 8.43 8.06 1t9bB1 GLY 197 HA2 -0.01 -0.03 0.33 -0.51 4.01 3.79 1t9bB1 GLY 197 HA3 -0.01 0.22 0.58 -0.51 4.01 4.29 1t9bB1 THR 198 H -0.00 0.19 -0.03 -0.55 8.28 7.89 1t9bB1 THR 198 HA 0.00 0.28 0.90 -0.75 4.39 4.81 1t9bB1 THR 198 HB 0.01 -0.00 0.09 -0.04 4.32 4.38 1t9bB1 THR 198 HG23 0.00 0.03 -0.28 -0.04 1.22 0.94 1t9bB1 ASP 199 H -0.00 -0.06 -0.04 -0.55 8.40 7.75 1t9bB1 ASP 199 HA -0.00 -0.02 0.31 -0.75 4.63 4.16 1t9bB1 ASP 199 HB2 0.01 0.29 0.19 -0.04 2.71 3.15 1t9bB1 ASP 199 HB3 0.01 -0.02 0.19 -0.04 2.70 2.83 1t9bB1 ALA 200 H 0.01 -0.09 -0.05 -0.55 8.40 7.73 1t9bB1 ALA 200 HA 0.05 0.19 0.42 -0.75 4.34 4.25 1t9bB1 ALA 200 HB3 0.03 0.00 0.04 -0.04 1.41 1.44 1t9bB1 PHE 201 H 0.19 0.13 0.13 -0.55 8.34 8.23 1t9bB1 PHE 201 HA -0.01 0.07 0.43 -0.75 4.62 4.36 1t9bB1 PHE 201 HB2 -0.01 0.07 0.15 -0.04 3.15 3.32 1t9bB1 PHE 201 HB3 -0.01 -0.04 0.13 -0.04 3.06 3.10 1t9bB1 PHE 201 HD2 -0.01 -0.00 0.02 -0.04 7.28 7.24 1t9bB1 PHE 201 HE2 -0.01 0.00 0.01 -0.04 7.38 7.34 1t9bB1 PHE 201 HZ -0.01 0.03 0.01 -0.04 7.32 7.31 1t9bB1 GLN 202 H -0.36 0.18 0.20 -0.55 8.47 7.93 1t9bB1 GLN 202 HA -0.30 0.06 0.33 -0.75 4.36 3.69 1t9bB1 GLN 202 HB2 -0.49 0.08 -0.15 -0.04 2.15 1.55 1t9bB1 GLN 202 HB3 -0.32 -0.07 0.03 -0.04 2.02 1.62 1t9bB1 GLN 202 HG2 -0.66 0.06 0.06 -0.04 2.40 1.82 1t9bB1 GLN 202 HG3 -2.40 -0.01 -0.11 -0.04 2.39 -0.18 1t9bB1 GLN 202 HE21 -0.12 0.02 0.04 -0.04 6.97 6.86 1t9bB1 GLN 202 HE22 -0.23 0.05 0.04 -0.04 7.69 7.51 1t9bB1 GLU 203 H -0.08 0.43 -0.21 -0.55 8.60 8.19 1t9bB1 GLU 203 HA -0.06 0.04 0.88 -0.75 4.29 4.39 1t9bB1 GLU 203 HB2 -0.02 0.01 -0.11 -0.04 2.09 1.92 1t9bB1 GLU 203 HB3 -0.02 0.08 0.04 -0.04 1.99 2.05 1t9bB1 GLU 203 HG2 -0.03 0.05 -0.24 -0.04 2.34 2.07 1t9bB1 GLU 203 HG3 -0.03 -0.02 0.03 -0.04 2.34 2.29 1t9bB1 ALA 204 H -0.05 0.24 0.27 -0.55 8.40 8.32 1t9bB1 ALA 204 HA -0.04 0.21 0.70 -0.75 4.34 4.45 1t9bB1 ALA 204 HB3 -0.06 0.02 -0.07 -0.04 1.41 1.26 1t9bB1 ASP 205 H -0.04 0.27 0.05 -0.55 8.40 8.14 1t9bB1 ASP 205 HA -0.04 0.11 0.65 -0.75 4.63 4.59 1t9bB1 ASP 205 HB2 -0.04 0.07 0.11 -0.04 2.71 2.80 1t9bB1 ASP 205 HB3 -0.04 0.07 0.21 -0.04 2.70 2.90 1t9bB1 VAL 206 H -0.05 0.47 -0.07 -0.55 8.24 8.04 1t9bB1 VAL 206 HA -0.06 0.08 0.28 -0.75 4.13 3.68 1t9bB1 VAL 206 HB -0.06 0.01 -0.00 -0.04 2.12 2.03 1t9bB1 VAL 206 HG13 -0.07 0.04 -0.20 -0.04 0.97 0.70 1t9bB1 VAL 206 HG23 -0.05 0.05 -0.06 -0.04 0.95 0.85 1t9bB1 VAL 207 H -0.08 0.07 -0.16 -0.55 8.24 7.53 1t9bB1 VAL 207 HA -0.13 0.16 0.29 -0.75 4.13 3.69 1t9bB1 VAL 207 HB -0.09 -0.07 -0.03 -0.04 2.12 1.90 1t9bB1 VAL 207 HG13 -0.13 0.04 -0.23 -0.04 0.97 0.60 1t9bB1 VAL 207 HG23 -0.13 -0.00 -0.16 -0.04 0.95 0.61 1t9bB1 GLY 208 H -0.07 -0.01 -0.44 -0.55 8.43 7.36 1t9bB1 GLY 208 HA2 -0.07 0.14 0.44 -0.51 4.01 4.01 1t9bB1 GLY 208 HA3 -0.06 0.01 0.23 -0.51 4.01 3.69 1t9bB1 ILE 209 H -0.07 0.46 -0.02 -0.55 8.25 8.07 1t9bB1 ILE 209 HA -0.06 0.06 0.37 -0.75 4.18 3.79 1t9bB1 ILE 209 HB -0.06 -0.02 0.06 -0.04 1.89 1.83 1t9bB1 ILE 209 HG12 -0.05 0.02 0.00 -0.04 1.49 1.42 1t9bB1 ILE 209 HG13 -0.05 0.12 0.05 -0.04 1.21 1.29 1t9bB1 ILE 209 HG23 -0.06 0.00 -0.17 -0.04 0.93 0.66 1t9bB1 ILE 209 HD13 -0.05 -0.04 -0.14 -0.04 0.88 0.61 1t9bB1 SER 210 H -0.09 0.52 -0.26 -0.55 8.46 8.08 1t9bB1 SER 210 HA -0.11 0.12 0.54 -0.75 4.49 4.28 1t9bB1 SER 210 HB2 -0.11 0.04 -0.06 -0.04 3.95 3.78 1t9bB1 SER 210 HB3 -0.09 -0.08 -0.07 -0.04 3.93 3.65 1t9bB1 ARG 211 H -0.10 0.28 -0.61 -0.55 8.46 7.48 1t9bB1 ARG 211 HA -0.12 0.04 0.30 -0.75 4.34 3.81 1t9bB1 ARG 211 HB2 -0.09 0.00 0.16 -0.04 1.90 1.93 1t9bB1 ARG 211 HB3 -0.08 0.00 0.08 -0.04 1.80 1.75 1t9bB1 ARG 211 HG2 -0.06 0.04 -0.20 -0.04 1.67 1.40 1t9bB1 ARG 211 HG3 -0.07 0.00 0.01 -0.04 1.67 1.57 1t9bB1 ARG 211 HD2 -0.06 -0.02 0.01 -0.04 3.22 3.11 1t9bB1 ARG 211 HD3 -0.04 0.00 -0.04 -0.04 3.22 3.10 1t9bB1 SER 212 H -0.14 0.13 -0.19 -0.55 8.46 7.72 1t9bB1 SER 212 HA -0.19 0.17 0.49 -0.75 4.49 4.21 1t9bB1 SER 212 HB2 -0.12 0.01 0.09 -0.04 3.95 3.88 1t9bB1 SER 212 HB3 -0.10 -0.04 0.05 -0.04 3.93 3.81 1t9bB1 CYS 213 H -0.28 0.20 -0.59 -0.55 8.50 7.28 1t9bB1 CYS 213 HA -1.07 0.26 0.94 -0.75 4.58 3.95 1t9bB1 CYS 213 HB2 -0.16 -0.05 -0.01 -0.04 2.97 2.71 1t9bB1 CYS 213 HB3 -0.21 -0.04 -0.10 -0.04 2.97 2.59 1t9bB1 THR 214 H -0.43 0.41 -0.19 -0.55 8.28 7.52 1t9bB1 THR 214 HA 0.06 0.20 0.68 -0.75 4.39 4.57 1t9bB1 THR 214 HB -0.00 0.05 0.04 -0.04 4.32 4.37 1t9bB1 THR 214 HG23 -0.09 -0.06 -0.32 -0.04 1.22 0.72 1t9bB1 LYS 215 H 0.22 0.75 0.26 -0.55 8.42 9.10 1t9bB1 LYS 215 HA 0.35 0.03 0.48 -0.75 4.32 4.43 1t9bB1 LYS 215 HB2 0.17 0.04 -0.05 -0.04 1.87 1.98 1t9bB1 LYS 215 HB3 0.14 -0.06 0.01 -0.04 1.79 1.84 1t9bB1 LYS 215 HG2 0.10 -0.07 -0.01 -0.04 1.46 1.43 1t9bB1 LYS 215 HG3 0.17 -0.03 -0.02 -0.04 1.46 1.54 1t9bB1 LYS 215 HD2 0.01 0.15 -0.25 -0.04 1.69 1.56 1t9bB1 LYS 215 HD3 0.05 0.04 -0.16 -0.04 1.68 1.57 1t9bB1 LYS 215 HE2 0.04 -0.17 -0.06 -0.04 2.99 2.76 1t9bB1 LYS 215 HE3 0.01 -0.18 -0.01 -0.04 2.99 2.77 1t9bB1 TRP 216 H 0.19 0.23 -0.08 -0.55 7.97 7.76 1t9bB1 TRP 216 HA -0.01 0.06 0.44 -0.75 4.62 4.36 1t9bB1 TRP 216 HB2 0.01 0.21 -0.18 -0.04 3.23 3.23 1t9bB1 TRP 216 HB3 -0.01 -0.03 -0.16 -0.04 3.23 3.00 1t9bB1 TRP 216 HD1 0.00 0.02 0.09 -0.04 7.22 7.29 1t9bB1 TRP 216 HE1 0.01 -0.07 0.01 -0.04 10.20 10.10 1t9bB1 TRP 216 HE3 -0.03 -0.00 -0.25 -0.04 7.59 7.27 1t9bB1 TRP 216 HZ2 0.02 -0.06 -0.07 -0.04 7.44 7.28 1t9bB1 TRP 216 HZ3 -0.00 0.03 -0.18 -0.04 7.13 6.93 1t9bB1 TRP 216 HH2 0.03 -0.05 -0.08 -0.04 7.19 7.04 1t9bB1 ASN 217 H -0.76 0.29 0.22 -0.55 8.53 7.73 1t9bB1 ASN 217 HA -0.53 0.27 0.73 -0.75 4.76 4.48 1t9bB1 ASN 217 HB2 -0.28 -0.08 0.13 -0.04 2.88 2.61 1t9bB1 ASN 217 HB3 -0.21 0.06 -0.06 -0.04 2.79 2.53 1t9bB1 ASN 217 HD21 -0.15 0.27 -0.07 -0.04 7.03 7.05 1t9bB1 ASN 217 HD22 -0.15 -0.05 -0.32 -0.04 7.74 7.18 1t9bB1 VAL 218 H -0.44 0.48 0.33 -0.55 8.24 8.06 1t9bB1 VAL 218 HA -0.38 0.06 0.53 -0.75 4.13 3.58 1t9bB1 VAL 218 HB -1.04 0.19 -0.18 -0.04 2.12 1.06 1t9bB1 VAL 218 HG13 -0.30 0.00 -0.16 -0.04 0.97 0.47 1t9bB1 VAL 218 HG23 -0.07 -0.01 -0.08 -0.04 0.95 0.75 1t9bB1 MET 219 H -0.12 0.25 0.14 -0.55 8.47 8.19 1t9bB1 MET 219 HA -0.06 0.17 1.06 -0.75 4.52 4.93 1t9bB1 MET 219 HB2 -0.07 -0.08 0.01 -0.04 2.15 1.96 1t9bB1 MET 219 HB3 -0.05 0.01 0.10 -0.04 2.03 2.06 1t9bB1 MET 219 HG2 -0.02 0.20 -0.25 -0.04 2.63 2.52 1t9bB1 MET 219 HG3 -0.03 -0.07 -0.03 -0.04 2.56 2.39 1t9bB1 MET 219 HE3 -0.01 0.03 -0.11 -0.04 2.10 1.97 1t9bB1 VAL 220 H 0.01 0.63 0.20 -0.55 8.24 8.53 1t9bB1 VAL 220 HA 0.04 0.03 0.51 -0.75 4.13 3.96 1t9bB1 VAL 220 HB 0.06 -0.01 0.14 -0.04 2.12 2.27 1t9bB1 VAL 220 HG13 0.07 -0.04 -0.19 -0.04 0.97 0.77 1t9bB1 VAL 220 HG23 0.11 0.04 -0.08 -0.04 0.95 0.98 1t9bB1 LYS 221 H 0.03 0.16 0.23 -0.55 8.42 8.29 1t9bB1 LYS 221 HA 0.01 0.11 0.65 -0.75 4.32 4.35 1t9bB1 LYS 221 HB2 0.03 -0.01 0.09 -0.04 1.87 1.94 1t9bB1 LYS 221 HB3 0.02 -0.01 0.09 -0.04 1.79 1.85 1t9bB1 LYS 221 HG2 0.00 -0.03 -0.02 -0.04 1.46 1.38 1t9bB1 LYS 221 HG3 0.01 0.18 0.09 -0.04 1.46 1.70 1t9bB1 LYS 221 HD2 0.02 0.01 0.04 -0.04 1.69 1.72 1t9bB1 LYS 221 HD3 0.01 -0.01 0.02 -0.04 1.68 1.66 1t9bB1 LYS 221 HE2 -0.00 -0.03 0.02 -0.04 2.99 2.93 1t9bB1 LYS 221 HE3 0.00 0.04 0.05 -0.04 2.99 3.04 1t9bB1 SER 222 H 0.04 0.17 0.01 -0.55 8.46 8.13 1t9bB1 SER 222 HA 0.03 0.18 0.63 -0.75 4.49 4.58 1t9bB1 SER 222 HB2 0.03 -0.01 0.11 -0.04 3.95 4.04 1t9bB1 SER 222 HB3 0.03 0.15 -0.19 -0.04 3.93 3.87 1t9bB1 VAL 223 H 0.03 0.22 0.13 -0.55 8.24 8.08 1t9bB1 VAL 223 HA 0.04 0.11 0.36 -0.75 4.13 3.89 1t9bB1 VAL 223 HB 0.02 0.11 0.09 -0.04 2.12 2.30 1t9bB1 VAL 223 HG13 0.03 0.02 -0.14 -0.04 0.97 0.84 1t9bB1 VAL 223 HG23 0.02 0.03 -0.10 -0.04 0.95 0.86 1t9bB1 GLU 224 H 0.05 0.03 -0.22 -0.55 8.60 7.90 1t9bB1 GLU 224 HA 0.07 0.15 0.30 -0.75 4.29 4.06 1t9bB1 GLU 224 HB2 0.05 -0.09 -0.01 -0.04 2.09 2.00 1t9bB1 GLU 224 HB3 0.05 0.08 -0.05 -0.04 1.99 2.03 1t9bB1 GLU 224 HG2 0.04 0.08 -0.02 -0.04 2.34 2.40 1t9bB1 GLU 224 HG3 0.05 0.10 -0.00 -0.04 2.34 2.45 1t9bB1 GLU 225 H 0.06 0.19 -0.43 -0.55 8.60 7.88 1t9bB1 GLU 225 HA 0.08 0.22 0.81 -0.75 4.29 4.65 1t9bB1 GLU 225 HB2 0.09 0.00 0.12 -0.04 2.09 2.27 1t9bB1 GLU 225 HB3 0.07 0.00 0.01 -0.04 1.99 2.03 1t9bB1 GLU 225 HG2 0.06 -0.10 0.08 -0.04 2.34 2.33 1t9bB1 GLU 225 HG3 0.08 0.16 -0.11 -0.04 2.34 2.43 1t9bB1 LEU 226 H 0.09 0.40 -0.29 -0.55 8.37 8.02 1t9bB1 LEU 226 HA 0.13 -0.04 0.34 -0.75 4.35 4.03 1t9bB1 LEU 226 HB2 0.08 -0.08 0.10 -0.04 1.64 1.69 1t9bB1 LEU 226 HB3 0.07 0.16 0.09 -0.04 1.64 1.92 1t9bB1 LEU 226 HG 0.10 0.06 -0.27 -0.04 1.64 1.49 1t9bB1 LEU 226 HD13 0.18 -0.03 -0.06 -0.04 0.93 0.97 1t9bB1 LEU 226 HD23 0.06 -0.01 -0.04 -0.04 0.89 0.85 1t9bB1 PRO 227 HA 0.13 0.06 0.36 -0.51 4.44 4.48 1t9bB1 PRO 227 HB2 0.15 0.06 -0.14 -0.04 2.28 2.31 1t9bB1 PRO 227 HB3 0.23 0.08 0.02 -0.04 2.02 2.31 1t9bB1 PRO 227 HG2 0.32 0.03 -0.04 -0.04 2.03 2.29 1t9bB1 PRO 227 HG3 0.21 0.03 -0.03 -0.04 2.03 2.19 1t9bB1 PRO 227 HD2 0.13 0.19 -0.18 -0.04 3.68 3.77 1t9bB1 PRO 227 HD3 0.10 0.13 0.05 -0.04 3.65 3.90 1t9bB1 LEU 228 H 0.11 0.06 -0.32 -0.55 8.37 7.68 1t9bB1 LEU 228 HA 0.09 0.21 0.44 -0.75 4.35 4.34 1t9bB1 LEU 228 HB2 0.08 -0.03 0.12 -0.04 1.64 1.76 1t9bB1 LEU 228 HB3 0.10 0.03 0.13 -0.04 1.64 1.86 1t9bB1 LEU 228 HG 0.11 -0.00 -0.31 -0.04 1.64 1.40 1t9bB1 LEU 228 HD13 0.04 0.00 0.01 -0.04 0.93 0.94 1t9bB1 LEU 228 HD23 0.08 -0.02 -0.02 -0.04 0.89 0.88 1t9bB1 ARG 229 H 0.16 0.57 -0.09 -0.55 8.46 8.54 1t9bB1 ARG 229 HA 0.32 0.01 0.37 -0.75 4.34 4.29 1t9bB1 ARG 229 HB2 0.21 0.08 0.04 -0.04 1.90 2.19 1t9bB1 ARG 229 HB3 0.25 -0.05 -0.07 -0.04 1.80 1.88 1t9bB1 ARG 229 HG2 0.15 0.24 0.03 -0.04 1.67 2.05 1t9bB1 ARG 229 HG3 0.13 -0.14 -0.10 -0.04 1.67 1.52 1t9bB1 ARG 229 HD2 0.36 0.00 -0.07 -0.04 3.22 3.48 1t9bB1 ARG 229 HD3 0.26 0.01 -0.14 -0.04 3.22 3.31 1t9bB1 ILE 230 H 0.22 0.56 -0.22 -0.55 8.25 8.27 1t9bB1 ILE 230 HA 0.43 -0.02 0.36 -0.75 4.18 4.19 1t9bB1 ILE 230 HB 0.17 0.14 0.09 -0.04 1.89 2.26 1t9bB1 ILE 230 HG12 0.54 -0.05 -0.07 -0.04 1.49 1.87 1t9bB1 ILE 230 HG13 0.31 0.02 -0.02 -0.04 1.21 1.47 1t9bB1 ILE 230 HG23 0.26 0.00 -0.23 -0.04 0.93 0.93 1t9bB1 ILE 230 HD13 0.03 -0.02 -0.14 -0.04 0.88 0.71 1t9bB1 ASN 231 H 0.16 0.60 -0.15 -0.55 8.53 8.58 1t9bB1 ASN 231 HA 0.14 0.04 0.31 -0.75 4.76 4.50 1t9bB1 ASN 231 HB2 0.07 0.10 0.07 -0.04 2.88 3.09 1t9bB1 ASN 231 HB3 0.05 -0.07 -0.10 -0.04 2.79 2.63 1t9bB1 ASN 231 HD21 0.05 -0.09 -0.55 -0.04 7.03 6.39 1t9bB1 ASN 231 HD22 0.06 0.13 -0.40 -0.04 7.74 7.48 1t9bB1 GLU 232 H 0.11 0.52 -0.20 -0.55 8.60 8.48 1t9bB1 GLU 232 HA -0.10 0.03 0.42 -0.75 4.29 3.88 1t9bB1 GLU 232 HB2 -0.02 0.04 0.06 -0.04 2.09 2.12 1t9bB1 GLU 232 HB3 -0.58 -0.06 -0.01 -0.04 1.99 1.30 1t9bB1 GLU 232 HG2 -0.09 -0.04 -0.01 -0.04 2.34 2.16 1t9bB1 GLU 232 HG3 0.03 0.39 0.07 -0.04 2.34 2.79 1t9bB1 ALA 233 H 0.23 0.50 -0.31 -0.55 8.40 8.28 1t9bB1 ALA 233 HA 0.26 -0.02 0.30 -0.75 4.34 4.12 1t9bB1 ALA 233 HB3 0.16 0.03 0.01 -0.04 1.41 1.57 1t9bB1 PHE 234 H 0.36 0.55 -0.09 -0.55 8.34 8.61 1t9bB1 PHE 234 HA 0.04 0.03 0.36 -0.75 4.62 4.29 1t9bB1 PHE 234 HB2 0.04 0.06 0.09 -0.04 3.15 3.30 1t9bB1 PHE 234 HB3 0.03 0.04 -0.04 -0.04 3.06 3.04 1t9bB1 PHE 234 HD2 0.09 0.18 -0.00 -0.04 7.28 7.50 1t9bB1 PHE 234 HE2 0.19 -0.01 -0.09 -0.04 7.38 7.43 1t9bB1 PHE 234 HZ 0.11 -0.04 -0.08 -0.04 7.32 7.27 1t9bB1 GLU 235 H 0.10 0.41 -0.32 -0.55 8.60 8.24 1t9bB1 GLU 235 HA 0.05 0.07 0.42 -0.75 4.29 4.08 1t9bB1 GLU 235 HB2 0.01 0.02 0.09 -0.04 2.09 2.17 1t9bB1 GLU 235 HB3 -0.05 0.04 0.13 -0.04 1.99 2.07 1t9bB1 GLU 235 HG2 -0.05 -0.02 -0.26 -0.04 2.34 1.97 1t9bB1 GLU 235 HG3 -0.01 -0.01 0.00 -0.04 2.34 2.28 1t9bB1 ILE 236 H -0.08 0.60 -0.09 -0.55 8.25 8.14 1t9bB1 ILE 236 HA -0.07 -0.02 0.38 -0.75 4.18 3.71 1t9bB1 ILE 236 HB -0.08 0.07 0.07 -0.04 1.89 1.91 1t9bB1 ILE 236 HG12 -0.27 -0.06 -0.03 -0.04 1.49 1.09 1t9bB1 ILE 236 HG13 -0.34 0.08 0.05 -0.04 1.21 0.97 1t9bB1 ILE 236 HG23 0.01 -0.01 -0.22 -0.04 0.93 0.66 1t9bB1 ILE 236 HD13 -1.12 -0.04 -0.10 -0.04 0.88 -0.42 1t9bB1 ALA 237 H -0.01 0.51 -0.20 -0.55 8.40 8.16 1t9bB1 ALA 237 HA 0.01 0.08 0.39 -0.75 4.34 4.07 1t9bB1 ALA 237 HB3 -0.06 -0.04 0.07 -0.04 1.41 1.33 1t9bB1 THR 238 H 0.02 0.31 -0.37 -0.55 8.28 7.69 1t9bB1 THR 238 HA 0.01 0.16 0.88 -0.75 4.39 4.69 1t9bB1 THR 238 HB 0.03 -0.03 0.17 -0.04 4.32 4.45 1t9bB1 THR 238 HG23 0.07 -0.01 -0.03 -0.04 1.22 1.21 1t9bB1 SER 239 H -0.00 0.27 -0.29 -0.55 8.46 7.89 1t9bB1 SER 239 HA 0.00 0.15 0.88 -0.75 4.49 4.78 1t9bB1 SER 239 HB2 -0.01 -0.22 0.10 -0.04 3.95 3.78 1t9bB1 SER 239 HB3 -0.01 0.02 0.02 -0.04 3.93 3.92 1t9bB1 GLY 240 H -0.00 0.01 0.10 -0.55 8.43 7.98 1t9bB1 GLY 240 HA2 -0.00 -0.08 0.27 -0.51 4.01 3.69 1t9bB1 GLY 240 HA3 -0.01 0.00 0.34 -0.51 4.01 3.83 1t9bB1 ARG 241 H -0.02 0.02 0.12 -0.55 8.46 8.03 1t9bB1 ARG 241 HA -0.02 0.05 0.67 -0.75 4.34 4.28 1t9bB1 ARG 241 HB2 -0.04 -0.25 0.08 -0.04 1.90 1.65 1t9bB1 ARG 241 HB3 -0.06 0.00 0.15 -0.04 1.80 1.85 1t9bB1 ARG 241 HG2 -0.07 0.39 -0.09 -0.04 1.67 1.86 1t9bB1 ARG 241 HG3 -0.05 -0.14 0.04 -0.04 1.67 1.49 1t9bB1 ARG 241 HD2 -0.08 -0.18 -0.01 -0.04 3.22 2.90 1t9bB1 ARG 241 HD3 -0.16 0.08 -0.01 -0.04 3.22 3.09 1t9bB1 PRO 242 HA -0.01 0.29 0.30 -0.51 4.44 4.51 1t9bB1 PRO 242 HB2 -0.01 0.20 -0.09 -0.04 2.28 2.34 1t9bB1 PRO 242 HB3 0.00 0.04 0.10 -0.04 2.02 2.12 1t9bB1 PRO 242 HG2 0.00 -0.02 0.10 -0.04 2.03 2.07 1t9bB1 PRO 242 HG3 0.00 0.12 -0.04 -0.04 2.03 2.07 1t9bB1 PRO 242 HD2 -0.02 0.00 0.20 -0.04 3.68 3.83 1t9bB1 PRO 242 HD3 -0.01 0.16 0.25 -0.04 3.65 4.02 1t9bB1 GLY 243 H 0.00 0.61 0.25 -0.55 8.43 8.74 1t9bB1 GLY 243 HA2 -0.00 0.04 0.22 -0.51 4.01 3.76 1t9bB1 GLY 243 HA3 0.01 -0.01 0.30 -0.51 4.01 3.80 1t9bB1 PRO 244 HA 0.00 0.26 0.93 -0.51 4.44 5.13 1t9bB1 PRO 244 HB2 0.01 -0.06 0.06 -0.04 2.28 2.25 1t9bB1 PRO 244 HB3 0.03 -0.01 0.11 -0.04 2.02 2.11 1t9bB1 PRO 244 HG2 0.17 -0.04 0.20 -0.04 2.03 2.32 1t9bB1 PRO 244 HG3 0.14 0.21 0.16 -0.04 2.03 2.50 1t9bB1 PRO 244 HD2 0.23 0.06 0.13 -0.04 3.68 4.07 1t9bB1 PRO 244 HD3 0.09 0.14 -0.27 -0.04 3.65 3.56 1t9bB1 VAL 245 H -0.05 0.55 0.46 -0.55 8.24 8.65 1t9bB1 VAL 245 HA 0.05 0.18 0.96 -0.75 4.13 4.57 1t9bB1 VAL 245 HB 0.21 0.00 0.06 -0.04 2.12 2.34 1t9bB1 VAL 245 HG13 0.13 0.03 -0.19 -0.04 0.97 0.89 1t9bB1 VAL 245 HG23 -0.11 0.05 0.05 -0.04 0.95 0.90 1t9bB1 LEU 246 H -0.12 0.43 0.38 -0.55 8.37 8.51 1t9bB1 LEU 246 HA -0.19 0.33 1.15 -0.75 4.35 4.89 1t9bB1 LEU 246 HB2 -0.12 0.05 -0.13 -0.04 1.64 1.41 1t9bB1 LEU 246 HB3 -0.16 -0.07 0.06 -0.04 1.64 1.43 1t9bB1 LEU 246 HG -0.11 0.15 -0.08 -0.04 1.64 1.56 1t9bB1 LEU 246 HD13 -0.08 -0.01 -0.18 -0.04 0.93 0.61 1t9bB1 LEU 246 HD23 -0.12 -0.05 -0.41 -0.04 0.89 0.26 1t9bB1 VAL 247 H -0.24 0.81 0.32 -0.55 8.24 8.58 1t9bB1 VAL 247 HA -0.15 0.18 0.98 -0.75 4.13 4.39 1t9bB1 VAL 247 HB -0.17 -0.00 0.07 -0.04 2.12 1.98 1t9bB1 VAL 247 HG13 0.20 -0.02 -0.22 -0.04 0.97 0.90 1t9bB1 VAL 247 HG23 -0.09 0.02 -0.27 -0.04 0.95 0.57 1t9bB1 ASP 248 H -0.09 0.77 0.37 -0.55 8.40 8.91 1t9bB1 ASP 248 HA -0.01 0.15 0.66 -0.75 4.63 4.68 1t9bB1 ASP 248 HB2 -0.08 0.04 0.06 -0.04 2.71 2.69 1t9bB1 ASP 248 HB3 -0.04 -0.11 0.18 -0.04 2.70 2.68 1t9bB1 LEU 249 H 0.03 0.85 0.24 -0.55 8.37 8.94 1t9bB1 LEU 249 HA 0.04 0.22 1.03 -0.75 4.35 4.89 1t9bB1 LEU 249 HB2 0.02 -0.04 0.03 -0.04 1.64 1.62 1t9bB1 LEU 249 HB3 0.01 -0.03 -0.06 -0.04 1.64 1.52 1t9bB1 LEU 249 HG 0.20 0.13 -0.30 -0.04 1.64 1.62 1t9bB1 LEU 249 HD13 -0.02 0.00 -0.15 -0.04 0.93 0.73 1t9bB1 LEU 249 HD23 0.17 0.02 -0.21 -0.04 0.89 0.84 1t9bB1 PRO 250 HA 0.00 0.15 0.29 -0.51 4.44 4.37 1t9bB1 PRO 250 HB2 0.01 -0.16 0.11 -0.04 2.28 2.20 1t9bB1 PRO 250 HB3 0.00 -0.00 0.10 -0.04 2.02 2.08 1t9bB1 PRO 250 HG2 0.01 0.21 0.08 -0.04 2.03 2.29 1t9bB1 PRO 250 HG3 -0.00 -0.01 -0.02 -0.04 2.03 1.96 1t9bB1 PRO 250 HD2 0.02 0.15 0.22 -0.04 3.68 4.04 1t9bB1 PRO 250 HD3 0.01 0.26 -0.02 -0.04 3.65 3.86 1t9bB1 LYS 251 H 0.00 0.55 0.16 -0.55 8.42 8.58 1t9bB1 LYS 251 HA -0.00 0.20 0.51 -0.75 4.32 4.28 1t9bB1 LYS 251 HB2 0.01 0.09 0.32 -0.04 1.87 2.24 1t9bB1 LYS 251 HB3 0.01 -0.15 0.18 -0.04 1.79 1.79 1t9bB1 LYS 251 HG2 0.00 0.06 0.13 -0.04 1.46 1.62 1t9bB1 LYS 251 HG3 0.01 -0.01 0.05 -0.04 1.46 1.47 1t9bB1 LYS 251 HD2 0.01 -0.04 -0.08 -0.04 1.69 1.54 1t9bB1 LYS 251 HD3 0.00 -0.04 -0.78 -0.04 1.68 0.83 1t9bB1 LYS 251 HE2 0.00 -0.01 -0.04 -0.04 2.99 2.90 1t9bB1 LYS 251 HE3 0.00 0.04 -0.00 -0.04 2.99 2.99 1t9bB1 ASP 252 H 0.01 -0.03 -0.14 -0.55 8.40 7.70 1t9bB1 ASP 252 HA 0.00 0.15 0.49 -0.75 4.63 4.52 1t9bB1 ASP 252 HB2 0.01 0.11 0.10 -0.04 2.71 2.89 1t9bB1 ASP 252 HB3 0.01 0.00 0.14 -0.04 2.70 2.81 1t9bB1 VAL 253 H 0.01 0.29 -0.36 -0.55 8.24 7.63 1t9bB1 VAL 253 HA 0.02 0.05 0.51 -0.75 4.13 3.95 1t9bB1 VAL 253 HB 0.02 0.19 0.02 -0.04 2.12 2.31 1t9bB1 VAL 253 HG13 0.04 -0.03 -0.41 -0.04 0.97 0.53 1t9bB1 VAL 253 HG23 0.02 0.00 -0.20 -0.04 0.95 0.73 1t9bB1 THR 254 H 0.00 0.41 -0.10 -0.55 8.28 8.04 1t9bB1 THR 254 HA -0.00 0.05 0.46 -0.75 4.39 4.14 1t9bB1 THR 254 HB -0.04 -0.06 -0.11 -0.04 4.32 4.06 1t9bB1 THR 254 HG23 -0.03 0.03 -0.15 -0.04 1.22 1.02 1t9bB1 ALA 255 H -0.00 0.31 -0.23 -0.55 8.40 7.93 1t9bB1 ALA 255 HA -0.01 0.09 0.67 -0.75 4.34 4.34 1t9bB1 ALA 255 HB3 -0.00 -0.01 0.10 -0.04 1.41 1.45 1t9bB1 ALA 256 H 0.00 0.13 -0.37 -0.55 8.40 7.61 1t9bB1 ALA 256 HA 0.01 0.02 0.45 -0.75 4.34 4.06 1t9bB1 ALA 256 HB3 0.01 0.06 0.16 -0.04 1.41 1.60 1t9bB1 ILE 257 H 0.01 0.10 0.19 -0.55 8.25 7.99 1t9bB1 ILE 257 HA 0.01 0.27 0.64 -0.75 4.18 4.34 1t9bB1 ILE 257 HB 0.01 -0.09 0.06 -0.04 1.89 1.83 1t9bB1 ILE 257 HG12 0.00 0.07 -0.17 -0.04 1.49 1.35 1t9bB1 ILE 257 HG13 0.00 -0.03 -0.04 -0.04 1.21 1.10 1t9bB1 ILE 257 HG23 0.01 0.03 -0.33 -0.04 0.93 0.60 1t9bB1 ILE 257 HD13 0.00 0.00 -0.01 -0.04 0.88 0.84 1t9bB1 LEU 258 H 0.02 0.82 0.20 -0.55 8.37 8.86 1t9bB1 LEU 258 HA 0.04 -0.05 0.55 -0.75 4.35 4.13 1t9bB1 LEU 258 HB2 0.05 0.02 -0.03 -0.04 1.64 1.64 1t9bB1 LEU 258 HB3 0.06 0.13 0.12 -0.04 1.64 1.91 1t9bB1 LEU 258 HG 0.07 -0.06 -0.32 -0.04 1.64 1.29 1t9bB1 LEU 258 HD13 0.06 0.01 -0.06 -0.04 0.93 0.91 1t9bB1 LEU 258 HD23 0.17 0.01 -0.25 -0.04 0.89 0.78 1t9bB1 ARG 259 H 0.03 0.12 0.19 -0.55 8.46 8.25 1t9bB1 ARG 259 HA 0.03 0.21 0.87 -0.75 4.34 4.70 1t9bB1 ARG 259 HB2 0.02 -0.02 0.08 -0.04 1.90 1.93 1t9bB1 ARG 259 HB3 0.02 0.01 0.16 -0.04 1.80 1.95 1t9bB1 ARG 259 HG2 0.02 0.05 -0.15 -0.04 1.67 1.54 1t9bB1 ARG 259 HG3 0.02 0.11 -0.31 -0.04 1.67 1.45 1t9bB1 ARG 259 HD2 0.01 -0.03 0.01 -0.04 3.22 3.17 1t9bB1 ARG 259 HD3 0.01 0.00 0.00 -0.04 3.22 3.19 1t9bB1 ASN 260 H 0.04 0.09 -0.05 -0.55 8.53 8.06 1t9bB1 ASN 260 HA 0.02 0.26 0.95 -0.75 4.76 5.24 1t9bB1 ASN 260 HB2 0.03 -0.12 0.04 -0.04 2.88 2.79 1t9bB1 ASN 260 HB3 0.03 0.16 0.03 -0.04 2.79 2.97 1t9bB1 ASN 260 HD21 0.02 0.02 -0.06 -0.04 7.03 6.97 1t9bB1 ASN 260 HD22 0.03 -0.10 -0.03 -0.04 7.74 7.59 1t9bB1 PRO 261 HA 0.02 0.13 0.54 -0.51 4.44 4.62 1t9bB1 PRO 261 HB2 0.01 -0.01 -0.06 -0.04 2.28 2.18 1t9bB1 PRO 261 HB3 0.00 0.01 -0.14 -0.04 2.02 1.86 1t9bB1 PRO 261 HG2 0.01 0.04 0.01 -0.04 2.03 2.05 1t9bB1 PRO 261 HG3 0.01 0.04 -0.01 -0.04 2.03 2.03 1t9bB1 PRO 261 HD2 0.02 0.08 0.19 -0.04 3.68 3.93 1t9bB1 PRO 261 HD3 0.02 0.18 0.17 -0.04 3.65 3.98 1t9bB1 ILE 262 H 0.01 0.55 0.33 -0.55 8.25 8.59 1t9bB1 ILE 262 HA 0.03 0.20 0.91 -0.75 4.18 4.56 1t9bB1 ILE 262 HB 0.05 0.04 0.07 -0.04 1.89 2.01 1t9bB1 ILE 262 HG12 0.06 -0.02 0.08 -0.04 1.49 1.56 1t9bB1 ILE 262 HG13 0.02 -0.01 -0.14 -0.04 1.21 1.04 1t9bB1 ILE 262 HG23 0.06 0.05 -0.13 -0.04 0.93 0.86 1t9bB1 ILE 262 HD13 0.17 -0.01 -0.05 -0.04 0.88 0.95 1t9bB1 PRO 263 HA -0.00 0.08 0.47 -0.51 4.44 4.47 1t9bB1 PRO 263 HB2 0.02 -0.08 0.12 -0.04 2.28 2.30 1t9bB1 PRO 263 HB3 0.01 0.06 0.12 -0.04 2.02 2.16 1t9bB1 PRO 263 HG2 0.02 0.06 0.09 -0.04 2.03 2.16 1t9bB1 PRO 263 HG3 0.01 0.09 0.09 -0.04 2.03 2.18 1t9bB1 PRO 263 HD2 0.03 0.13 0.19 -0.04 3.68 3.99 1t9bB1 PRO 263 HD3 0.02 0.19 0.22 -0.04 3.65 4.04 1t9bB1 THR 264 H -0.02 0.25 0.16 -0.55 8.28 8.12 1t9bB1 THR 264 HA -0.06 0.09 0.35 -0.75 4.39 4.02 1t9bB1 THR 264 HB -0.03 -0.01 0.01 -0.04 4.32 4.26 1t9bB1 THR 264 HG23 -0.05 0.01 -0.04 -0.04 1.22 1.10 1t9bB1 LYS 265 H -0.01 0.02 -0.26 -0.55 8.42 7.61 1t9bB1 LYS 265 HA -0.01 0.15 0.42 -0.75 4.32 4.13 1t9bB1 THR 266 H 0.01 0.12 -0.30 -0.55 8.28 7.56 1t9bB1 THR 266 HA 0.03 0.12 0.34 -0.75 4.39 4.13 1t9bB1 THR 266 HB 0.06 -0.12 0.09 -0.04 4.32 4.31 1t9bB1 THR 266 HG23 0.03 -0.03 0.02 -0.04 1.22 1.20 1t9bB1 THR 267 H -0.00 0.26 -0.70 -0.55 8.28 7.29 1t9bB1 THR 267 HA 0.07 0.14 0.75 -0.75 4.39 4.60 1t9bB1 THR 267 HB -0.11 -0.03 0.06 -0.04 4.32 4.20 1t9bB1 THR 267 HG23 -0.03 0.00 -0.18 -0.04 1.22 0.97 1t9bB1 LEU 268 H -0.00 0.31 -0.21 -0.55 8.37 7.92 1t9bB1 LEU 268 HA -0.02 0.20 0.89 -0.75 4.35 4.66 1t9bB1 LEU 268 HB2 -0.01 -0.00 0.17 -0.04 1.64 1.75 1t9bB1 LEU 268 HB3 -0.02 0.05 -0.01 -0.04 1.64 1.63 1t9bB1 LEU 268 HG -0.04 0.15 -0.05 -0.04 1.64 1.66 1t9bB1 LEU 268 HD13 -0.02 -0.04 -0.06 -0.04 0.93 0.77 1t9bB1 LEU 268 HD23 -0.04 0.02 -0.06 -0.04 0.89 0.77 1t9bB1 PRO 269 HA 0.00 0.07 0.12 -0.51 4.44 4.11 1t9bB1 PRO 269 HB2 -0.03 0.00 0.05 -0.04 2.28 2.27 1t9bB1 PRO 269 HB3 -0.04 0.06 0.03 -0.04 2.02 2.03 1t9bB1 PRO 269 HG2 -0.05 0.27 0.02 -0.04 2.03 2.22 1t9bB1 PRO 269 HG3 -0.05 0.00 -0.09 -0.04 2.03 1.84 1t9bB1 PRO 269 HD2 -0.02 0.05 0.15 -0.04 3.68 3.82 1t9bB1 PRO 269 HD3 -0.01 0.27 0.21 -0.04 3.65 4.07 1t9bB1 SER 278 HA 0.01 -0.03 0.27 -0.75 4.49 3.98 1t9bB1 SER 278 HB2 0.01 0.12 0.09 -0.04 3.95 4.12 1t9bB1 SER 278 HB3 0.02 -0.03 0.11 -0.04 3.93 3.99 1t9bB1 ARG 279 H 0.01 0.17 0.13 -0.55 8.46 8.22 1t9bB1 ARG 279 HA 0.02 0.13 0.42 -0.75 4.34 4.15 1t9bB1 ARG 279 HB2 0.01 0.05 0.14 -0.04 1.90 2.07 1t9bB1 ARG 279 HB3 0.01 -0.04 0.11 -0.04 1.80 1.85 1t9bB1 ARG 279 HG2 0.02 -0.01 -0.11 -0.04 1.67 1.53 1t9bB1 ARG 279 HG3 0.01 0.04 0.04 -0.04 1.67 1.72 1t9bB1 ARG 279 HD2 0.01 0.01 0.01 -0.04 3.22 3.21 1t9bB1 ARG 279 HD3 0.01 -0.01 -0.03 -0.04 3.22 3.15 1t9bB1 ALA 280 H 0.02 0.09 -0.10 -0.55 8.40 7.86 1t9bB1 ALA 280 HA 0.04 0.11 0.40 -0.75 4.34 4.13 1t9bB1 ALA 280 HB3 0.01 0.02 0.05 -0.04 1.41 1.45 1t9bB1 GLN 281 H 0.03 0.10 -0.36 -0.55 8.47 7.70 1t9bB1 GLN 281 HA 0.11 0.08 0.48 -0.75 4.36 4.28 1t9bB1 GLN 281 HB2 0.03 -0.04 0.09 -0.04 2.15 2.18 1t9bB1 GLN 281 HB3 0.04 0.19 0.16 -0.04 2.02 2.37 1t9bB1 GLN 281 HG2 0.04 0.04 -0.00 -0.04 2.40 2.44 1t9bB1 GLN 281 HG3 0.08 0.01 -0.20 -0.04 2.39 2.25 1t9bB1 GLN 281 HE21 0.30 0.02 -0.01 -0.04 6.97 7.24 1t9bB1 GLN 281 HE22 0.19 0.02 -0.05 -0.04 7.69 7.81 1t9bB1 ASP 282 H 0.04 0.69 0.08 -0.55 8.40 8.66 1t9bB1 ASP 282 HA 0.04 0.02 0.40 -0.75 4.63 4.34 1t9bB1 ASP 282 HB2 0.03 0.05 0.12 -0.04 2.71 2.86 1t9bB1 ASP 282 HB3 0.02 -0.02 0.05 -0.04 2.70 2.71 1t9bB1 GLU 283 H 0.05 0.44 -0.46 -0.55 8.60 8.08 1t9bB1 GLU 283 HA 0.02 0.03 0.45 -0.75 4.29 4.04 1t9bB1 GLU 283 HB2 0.04 0.19 0.14 -0.04 2.09 2.41 1t9bB1 GLU 283 HB3 0.06 0.09 0.09 -0.04 1.99 2.19 1t9bB1 GLU 283 HG2 0.04 -0.01 -0.04 -0.04 2.34 2.29 1t9bB1 GLU 283 HG3 0.02 -0.02 0.07 -0.04 2.34 2.37 1t9bB1 PHE 284 H 0.18 0.38 -0.18 -0.55 8.34 8.16 1t9bB1 PHE 284 HA -0.01 0.01 0.52 -0.75 4.62 4.39 1t9bB1 PHE 284 HB2 -0.01 0.00 0.17 -0.04 3.15 3.28 1t9bB1 PHE 284 HB3 -0.01 0.13 0.30 -0.04 3.06 3.43 1t9bB1 PHE 284 HD2 -0.02 0.01 0.02 -0.04 7.28 7.25 1t9bB1 PHE 284 HE2 -0.02 -0.00 0.01 -0.04 7.38 7.32 1t9bB1 PHE 284 HZ -0.03 0.02 0.03 -0.04 7.32 7.30 1t9bB1 VAL 285 H 0.03 0.61 -0.03 -0.55 8.24 8.31 1t9bB1 VAL 285 HA -0.35 0.01 0.47 -0.75 4.13 3.51 1t9bB1 VAL 285 HB -0.02 0.10 0.15 -0.04 2.12 2.31 1t9bB1 VAL 285 HG13 -0.05 -0.01 -0.09 -0.04 0.97 0.77 1t9bB1 VAL 285 HG23 0.04 0.02 0.01 -0.04 0.95 0.98 1t9bB1 MET 286 H -0.05 0.55 -0.17 -0.55 8.47 8.25 1t9bB1 MET 286 HA -0.05 0.02 0.37 -0.75 4.52 4.11 1t9bB1 MET 286 HB2 -0.01 0.06 0.14 -0.04 2.15 2.29 1t9bB1 MET 286 HB3 -0.02 0.11 0.13 -0.04 2.03 2.20 1t9bB1 MET 286 HG2 -0.01 -0.02 0.00 -0.04 2.63 2.56 1t9bB1 MET 286 HG3 -0.02 -0.02 -0.10 -0.04 2.56 2.38 1t9bB1 MET 286 HE3 0.00 0.00 -0.00 -0.04 2.10 2.06 1t9bB1 GLN 287 H -0.12 0.38 -0.39 -0.55 8.47 7.80 1t9bB1 GLN 287 HA -0.06 0.01 0.45 -0.75 4.36 4.01 1t9bB1 GLN 287 HB2 -0.18 0.21 0.26 -0.04 2.15 2.40 1t9bB1 GLN 287 HB3 -0.06 -0.06 0.04 -0.04 2.02 1.90 1t9bB1 GLN 287 HG2 -0.00 -0.07 0.06 -0.04 2.40 2.34 1t9bB1 GLN 287 HG3 -0.00 0.44 0.17 -0.04 2.39 2.95 1t9bB1 GLN 287 HE21 0.12 -0.06 -0.05 -0.04 6.97 6.93 1t9bB1 GLN 287 HE22 0.08 0.04 -0.30 -0.04 7.69 7.47 1t9bB1 SER 288 H -0.39 0.54 -0.02 -0.55 8.46 8.04 1t9bB1 SER 288 HA -0.19 0.01 0.43 -0.75 4.49 3.98 1t9bB1 SER 288 HB2 -0.27 -0.04 0.01 -0.04 3.95 3.62 1t9bB1 SER 288 HB3 -0.53 0.00 0.17 -0.04 3.93 3.53 1t9bB1 ILE 289 H -0.15 0.52 -0.30 -0.55 8.25 7.77 1t9bB1 ILE 289 HA -0.08 -0.01 0.37 -0.75 4.18 3.71 1t9bB1 ILE 289 HB -0.05 0.12 0.14 -0.04 1.89 2.06 1t9bB1 ILE 289 HG12 0.01 -0.06 -0.05 -0.04 1.49 1.34 1t9bB1 ILE 289 HG13 -0.09 0.23 -0.01 -0.04 1.21 1.30 1t9bB1 ILE 289 HG23 0.02 -0.01 -0.24 -0.04 0.93 0.67 1t9bB1 ILE 289 HD13 0.01 -0.02 -0.11 -0.04 0.88 0.72 1t9bB1 ASN 290 H -0.07 0.62 -0.09 -0.55 8.53 8.45 1t9bB1 ASN 290 HA -0.04 0.04 0.43 -0.75 4.76 4.44 1t9bB1 ASN 290 HB2 -0.04 0.12 0.20 -0.04 2.88 3.11 1t9bB1 ASN 290 HB3 -0.03 -0.05 0.03 -0.04 2.79 2.70 1t9bB1 ASN 290 HD21 -0.01 -0.07 -0.03 -0.04 7.03 6.88 1t9bB1 ASN 290 HD22 -0.02 -0.05 -0.01 -0.04 7.74 7.62 1t9bB1 LYS 291 H -0.08 0.52 -0.23 -0.55 8.42 8.08 1t9bB1 LYS 291 HA -0.05 0.02 0.42 -0.75 4.32 3.96 1t9bB1 LYS 291 HB2 -0.07 0.09 0.11 -0.04 1.87 1.96 1t9bB1 LYS 291 HB3 -0.08 0.08 0.07 -0.04 1.79 1.82 1t9bB1 LYS 291 HG2 -0.04 -0.01 -0.06 -0.04 1.46 1.31 1t9bB1 LYS 291 HG3 -0.03 -0.02 0.04 -0.04 1.46 1.41 1t9bB1 LYS 291 HD2 -0.04 -0.01 0.00 -0.04 1.69 1.60 1t9bB1 LYS 291 HD3 -0.02 0.01 -0.00 -0.04 1.68 1.63 1t9bB1 LYS 291 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.90 1t9bB1 LYS 291 HE3 -0.05 0.06 -0.05 -0.04 2.99 2.91 1t9bB1 ALA 292 H -0.08 0.50 -0.29 -0.55 8.40 7.99 1t9bB1 ALA 292 HA -0.04 -0.01 0.38 -0.75 4.34 3.92 1t9bB1 ALA 292 HB3 -0.05 0.02 0.01 -0.04 1.41 1.34 1t9bB1 ALA 293 H -0.04 0.54 -0.20 -0.55 8.40 8.16 1t9bB1 ALA 293 HA -0.04 0.00 0.36 -0.75 4.34 3.91 1t9bB1 ALA 293 HB3 -0.08 0.07 0.01 -0.04 1.41 1.37 1t9bB1 ASP 294 H -0.08 0.50 -0.17 -0.55 8.40 8.10 1t9bB1 ASP 294 HA -0.15 0.04 0.34 -0.75 4.63 4.10 1t9bB1 ASP 294 HB2 -0.05 0.10 0.11 -0.04 2.71 2.83 1t9bB1 ASP 294 HB3 -0.04 -0.04 -0.01 -0.04 2.70 2.57 1t9bB1 LEU 295 H -0.04 0.37 -0.36 -0.55 8.37 7.78 1t9bB1 LEU 295 HA -0.03 0.07 0.34 -0.75 4.35 3.97 1t9bB1 LEU 295 HB2 -0.02 0.10 0.04 -0.04 1.64 1.72 1t9bB1 LEU 295 HB3 -0.01 0.04 -0.02 -0.04 1.64 1.62 1t9bB1 LEU 295 HG -0.01 -0.06 -0.25 -0.04 1.64 1.29 1t9bB1 LEU 295 HD13 -0.02 0.00 -0.17 -0.04 0.93 0.71 1t9bB1 LEU 295 HD23 -0.00 -0.00 -0.24 -0.04 0.89 0.61 1t9bB1 ILE 296 H -0.03 0.53 -0.19 -0.55 8.25 8.02 1t9bB1 ILE 296 HA -0.00 -0.05 0.37 -0.75 4.18 3.74 1t9bB1 ILE 296 HB -0.03 0.11 0.12 -0.04 1.89 2.06 1t9bB1 ILE 296 HG12 0.06 -0.10 -0.07 -0.04 1.49 1.33 1t9bB1 ILE 296 HG13 0.04 0.19 0.02 -0.04 1.21 1.42 1t9bB1 ILE 296 HG23 0.01 -0.01 -0.16 -0.04 0.93 0.73 1t9bB1 ILE 296 HD13 0.10 -0.04 -0.15 -0.04 0.88 0.75 1t9bB1 ASN 297 H -0.12 0.62 -0.16 -0.55 8.53 8.32 1t9bB1 ASN 297 HA -0.05 0.07 0.42 -0.75 4.76 4.44 1t9bB1 ASN 297 HB2 -0.27 0.09 0.11 -0.04 2.88 2.77 1t9bB1 ASN 297 HB3 -0.20 -0.08 0.11 -0.04 2.79 2.59 1t9bB1 ASN 297 HD21 -0.83 0.36 0.14 -0.04 7.03 6.66 1t9bB1 ASN 297 HD22 -0.77 -0.09 -0.07 -0.04 7.74 6.77 1t9bB1 LEU 298 H -0.04 0.25 -0.72 -0.55 8.37 7.31 1t9bB1 LEU 298 HA 0.00 0.05 0.69 -0.75 4.35 4.34 1t9bB1 LEU 298 HB2 -0.02 0.16 0.10 -0.04 1.64 1.84 1t9bB1 LEU 298 HB3 -0.02 0.07 -0.02 -0.04 1.64 1.62 1t9bB1 LEU 298 HG -0.01 -0.06 0.09 -0.04 1.64 1.62 1t9bB1 LEU 298 HD13 0.01 -0.01 0.02 -0.04 0.93 0.90 1t9bB1 LEU 298 HD23 -0.01 -0.02 0.02 -0.04 0.89 0.83 1t9bB1 ALA 299 H -0.02 0.30 -0.16 -0.55 8.40 7.97 1t9bB1 ALA 299 HA -0.06 -0.00 0.44 -0.75 4.34 3.96 1t9bB1 ALA 299 HB3 -0.04 -0.00 0.04 -0.04 1.41 1.37 1t9bB1 LYS 300 H -0.14 -0.04 0.23 -0.55 8.42 7.91 1t9bB1 LYS 300 HA -0.10 0.26 0.93 -0.75 4.32 4.66 1t9bB1 LYS 300 HB2 -0.15 -0.05 0.11 -0.04 1.87 1.73 1t9bB1 LYS 300 HB3 -0.11 -0.08 0.12 -0.04 1.79 1.68 1t9bB1 LYS 300 HG2 -0.06 0.16 -0.01 -0.04 1.46 1.51 1t9bB1 LYS 300 HG3 -0.06 -0.08 0.04 -0.04 1.46 1.32 1t9bB1 LYS 300 HD2 -0.04 -0.13 0.06 -0.04 1.69 1.54 1t9bB1 LYS 300 HD3 -0.04 0.24 -0.16 -0.04 1.68 1.68 1t9bB1 LYS 300 HE2 -0.02 -0.11 0.02 -0.04 2.99 2.83 1t9bB1 LYS 300 HE3 -0.01 -0.05 0.01 -0.04 2.99 2.90 1t9bB1 LYS 301 H -0.33 -0.08 0.08 -0.55 8.42 7.54 1t9bB1 LYS 301 HA -1.67 0.25 0.81 -0.75 4.32 2.95 1t9bB1 LYS 301 HB2 -0.72 -0.15 0.26 -0.04 1.87 1.21 1t9bB1 LYS 301 HB3 -2.42 0.08 0.17 -0.04 1.79 -0.43 1t9bB1 LYS 301 HG2 -0.76 0.11 -0.04 -0.04 1.46 0.73 1t9bB1 LYS 301 HG3 -0.44 -0.09 -0.28 -0.04 1.46 0.61 1t9bB1 LYS 301 HD2 -0.58 0.02 0.00 -0.04 1.69 1.09 1t9bB1 LYS 301 HD3 -0.12 -0.06 -0.03 -0.04 1.68 1.43 1t9bB1 LYS 301 HE2 -0.20 -0.07 0.00 -0.04 2.99 2.68 1t9bB1 LYS 301 HE3 -0.33 0.21 0.10 -0.04 2.99 2.92 1t9bB1 PRO 302 HA 0.01 0.18 0.77 -0.51 4.44 4.88 1t9bB1 PRO 302 HB2 0.09 0.01 -0.07 -0.04 2.28 2.27 1t9bB1 PRO 302 HB3 0.01 -0.02 0.02 -0.04 2.02 1.98 1t9bB1 PRO 302 HG2 0.21 0.05 -0.01 -0.04 2.03 2.24 1t9bB1 PRO 302 HG3 0.07 0.20 -0.09 -0.04 2.03 2.17 1t9bB1 PRO 302 HD2 -0.12 0.18 -0.09 -0.04 3.68 3.62 1t9bB1 PRO 302 HD3 -0.14 0.03 -0.42 -0.04 3.65 3.07 1t9bB1 VAL 303 H 0.13 0.46 0.34 -0.55 8.24 8.62 1t9bB1 VAL 303 HA 0.22 0.28 0.76 -0.75 4.13 4.64 1t9bB1 VAL 303 HB 0.36 0.00 -0.20 -0.04 2.12 2.24 1t9bB1 VAL 303 HG13 0.13 0.04 0.00 -0.04 0.97 1.10 1t9bB1 VAL 303 HG23 0.11 -0.01 -0.27 -0.04 0.95 0.73 1t9bB1 LEU 304 H 0.05 0.77 0.25 -0.55 8.37 8.89 1t9bB1 LEU 304 HA 0.06 0.14 0.83 -0.75 4.35 4.63 1t9bB1 LEU 304 HB2 -0.07 0.16 0.08 -0.04 1.64 1.77 1t9bB1 LEU 304 HB3 -0.07 -0.08 -0.02 -0.04 1.64 1.42 1t9bB1 LEU 304 HG 0.03 -0.01 -0.14 -0.04 1.64 1.47 1t9bB1 LEU 304 HD13 -0.03 0.03 -0.14 -0.04 0.93 0.74 1t9bB1 LEU 304 HD23 -0.05 0.02 -0.05 -0.04 0.89 0.77 1t9bB1 TYR 305 H 0.13 0.66 0.19 -0.55 8.29 8.72 1t9bB1 TYR 305 HA -0.05 0.18 0.75 -0.75 4.56 4.69 1t9bB1 TYR 305 HB2 -0.01 0.05 -0.09 -0.04 3.06 2.96 1t9bB1 TYR 305 HB3 -0.02 0.01 -0.04 -0.04 2.98 2.89 1t9bB1 TYR 305 HD2 -0.20 0.09 -0.15 -0.04 7.15 6.85 1t9bB1 TYR 305 HE2 -1.19 -0.02 -0.16 -0.04 6.85 5.44 1t9bB1 VAL 306 H -0.00 0.82 0.30 -0.55 8.24 8.81 1t9bB1 VAL 306 HA -0.20 0.20 1.08 -0.75 4.13 4.44 1t9bB1 VAL 306 HB -0.06 -0.00 0.01 -0.04 2.12 2.03 1t9bB1 VAL 306 HG13 -0.06 0.02 -0.08 -0.04 0.97 0.82 1t9bB1 VAL 306 HG23 -0.09 0.02 -0.20 -0.04 0.95 0.64 1t9bB1 GLY 307 H -0.16 0.64 0.21 -0.55 8.43 8.58 1t9bB1 GLY 307 HA2 -0.09 -0.03 0.89 -0.51 4.01 4.27 1t9bB1 GLY 307 HA3 -0.14 -0.02 0.37 -0.51 4.01 3.71 1t9bB1 ALA 308 H -0.06 -0.01 0.12 -0.55 8.40 7.90 1t9bB1 ALA 308 HA -0.04 0.23 0.41 -0.75 4.34 4.19 1t9bB1 ALA 308 HB3 -0.04 0.01 0.14 -0.04 1.41 1.49 1t9bB1 GLY 309 H -0.04 0.47 -0.10 -0.55 8.43 8.22 1t9bB1 GLY 309 HA2 -0.00 0.14 0.43 -0.51 4.01 4.07 1t9bB1 GLY 309 HA3 -0.01 -0.13 0.42 -0.51 4.01 3.78 1t9bB1 ILE 310 H -0.03 0.45 -0.15 -0.55 8.25 7.97 1t9bB1 ILE 310 HA -0.01 -0.08 0.42 -0.75 4.18 3.76 1t9bB1 ILE 310 HB -0.05 -0.02 0.04 -0.04 1.89 1.82 1t9bB1 ILE 310 HG12 -0.02 0.06 -0.14 -0.04 1.49 1.36 1t9bB1 ILE 310 HG13 -0.01 -0.07 -0.11 -0.04 1.21 0.98 1t9bB1 ILE 310 HG23 -0.02 0.10 -0.14 -0.04 0.93 0.83 1t9bB1 ILE 310 HD13 -0.06 -0.00 -0.01 -0.04 0.88 0.77 1t9bB1 LEU 311 H 0.00 0.44 -0.30 -0.55 8.37 7.97 1t9bB1 LEU 311 HA 0.01 0.12 0.68 -0.75 4.35 4.41 1t9bB1 LEU 311 HB2 0.02 0.21 0.17 -0.04 1.64 1.99 1t9bB1 LEU 311 HB3 -0.01 0.04 0.17 -0.04 1.64 1.80 1t9bB1 LEU 311 HG -0.06 -0.09 -0.03 -0.04 1.64 1.42 1t9bB1 LEU 311 HD13 -0.08 0.01 0.03 -0.04 0.93 0.85 1t9bB1 LEU 311 HD23 -0.28 -0.01 -0.06 -0.04 0.89 0.49 1t9bB1 ASN 312 H 0.06 0.28 -0.29 -0.55 8.53 8.04 1t9bB1 ASN 312 HA 0.08 0.25 0.71 -0.75 4.76 5.05 1t9bB1 ASN 312 HB2 0.05 0.00 0.20 -0.04 2.88 3.09 1t9bB1 ASN 312 HB3 0.04 0.01 0.24 -0.04 2.79 3.04 1t9bB1 ASN 312 HD21 0.00 0.08 0.04 -0.04 7.03 7.11 1t9bB1 ASN 312 HD22 0.01 -0.15 0.10 -0.04 7.74 7.65 1t9bB1 HIS 313 H 0.16 0.30 -0.48 -0.55 8.41 7.84 1t9bB1 HIS 313 HA 0.03 0.21 0.73 -0.75 4.63 4.85 1t9bB1 HIS 313 HB2 0.02 0.03 -0.11 -0.04 3.26 3.16 1t9bB1 HIS 313 HB3 0.02 -0.08 0.06 -0.04 3.20 3.16 1t9bB1 HIS 313 HD2 0.02 0.00 0.02 -0.04 6.97 6.96 1t9bB1 HIS 313 HE1 0.02 0.07 -0.01 -0.04 7.75 7.79 1t9bB1 ALA 314 H -0.12 0.21 0.13 -0.55 8.40 8.06 1t9bB1 ALA 314 HA 0.15 0.20 0.41 -0.75 4.34 4.35 1t9bB1 ALA 314 HB3 0.03 0.03 0.11 -0.04 1.41 1.54 1t9bB1 ASP 315 H 0.74 0.02 -0.28 -0.55 8.40 8.34 1t9bB1 ASP 315 HA 0.09 0.22 0.80 -0.75 4.63 4.99 1t9bB1 ASP 315 HB2 -0.08 -0.02 -0.03 -0.04 2.71 2.55 1t9bB1 ASP 315 HB3 0.01 -0.02 0.13 -0.04 2.70 2.77 1t9bB1 GLY 316 H 0.14 0.55 -0.28 -0.55 8.43 8.29 1t9bB1 GLY 316 HA2 -0.04 -0.14 0.41 -0.51 4.01 3.73 1t9bB1 GLY 316 HA3 0.03 0.51 0.47 -0.51 4.01 4.50 1t9bB1 PRO 317 HA 0.05 0.09 0.48 -0.51 4.44 4.55 1t9bB1 PRO 317 HB2 0.03 -0.01 0.09 -0.04 2.28 2.34 1t9bB1 PRO 317 HB3 0.03 0.18 0.13 -0.04 2.02 2.32 1t9bB1 PRO 317 HG2 -0.01 0.10 0.10 -0.04 2.03 2.17 1t9bB1 PRO 317 HG3 -0.01 -0.02 0.08 -0.04 2.03 2.05 1t9bB1 PRO 317 HD2 0.06 0.20 0.00 -0.04 3.68 3.90 1t9bB1 PRO 317 HD3 0.03 0.28 0.19 -0.04 3.65 4.11 1t9bB1 ARG 318 H 0.03 0.19 -0.29 -0.55 8.46 7.83 1t9bB1 ARG 318 HA 0.02 0.05 0.41 -0.75 4.34 4.06 1t9bB1 ARG 318 HB2 0.03 0.04 0.12 -0.04 1.90 2.05 1t9bB1 ARG 318 HB3 0.02 0.07 0.12 -0.04 1.80 1.97 1t9bB1 ARG 318 HG2 0.02 -0.03 -0.07 -0.04 1.67 1.54 1t9bB1 ARG 318 HG3 0.02 0.01 0.04 -0.04 1.67 1.70 1t9bB1 ARG 318 HD2 0.02 -0.01 -0.01 -0.04 3.22 3.18 1t9bB1 ARG 318 HD3 0.03 0.02 0.02 -0.04 3.22 3.25 1t9bB1 LEU 319 H -0.01 0.62 -0.02 -0.55 8.37 8.41 1t9bB1 LEU 319 HA -0.01 0.02 0.45 -0.75 4.35 4.07 1t9bB1 LEU 319 HB2 -0.06 0.08 0.12 -0.04 1.64 1.73 1t9bB1 LEU 319 HB3 -0.06 -0.05 -0.03 -0.04 1.64 1.46 1t9bB1 LEU 319 HG -0.04 0.11 0.06 -0.04 1.64 1.73 1t9bB1 LEU 319 HD13 -0.10 -0.05 -0.04 -0.04 0.93 0.69 1t9bB1 LEU 319 HD23 -0.02 -0.01 -0.04 -0.04 0.89 0.79 1t9bB1 LEU 320 H 0.01 0.62 -0.15 -0.55 8.37 8.30 1t9bB1 LEU 320 HA -0.02 -0.02 0.40 -0.75 4.35 3.96 1t9bB1 LEU 320 HB2 0.00 -0.06 0.04 -0.04 1.64 1.59 1t9bB1 LEU 320 HB3 0.09 0.19 0.18 -0.04 1.64 2.06 1t9bB1 LEU 320 HG 0.21 0.01 -0.32 -0.04 1.64 1.49 1t9bB1 LEU 320 HD13 -0.06 -0.03 -0.05 -0.04 0.93 0.75 1t9bB1 LEU 320 HD23 0.10 0.02 -0.15 -0.04 0.89 0.82 1t9bB1 LYS 321 H 0.09 0.68 -0.05 -0.55 8.42 8.59 1t9bB1 LYS 321 HA 0.29 -0.02 0.39 -0.75 4.32 4.23 1t9bB1 LYS 321 HB2 0.03 0.01 0.16 -0.04 1.87 2.03 1t9bB1 LYS 321 HB3 0.04 0.16 0.21 -0.04 1.79 2.16 1t9bB1 LYS 321 HG2 0.04 0.00 -0.20 -0.04 1.46 1.26 1t9bB1 LYS 321 HG3 0.02 -0.07 0.05 -0.04 1.46 1.42 1t9bB1 LYS 321 HD2 -0.10 -0.04 0.03 -0.04 1.69 1.53 1t9bB1 LYS 321 HD3 -0.02 0.03 0.01 -0.04 1.68 1.67 1t9bB1 LYS 321 HE2 -0.03 -0.01 -0.00 -0.04 2.99 2.91 1t9bB1 LYS 321 HE3 -0.00 0.01 -0.03 -0.04 2.99 2.93 1t9bB1 GLU 322 H 0.04 0.49 -0.22 -0.55 8.60 8.36 1t9bB1 GLU 322 HA 0.04 -0.00 0.40 -0.75 4.29 3.97 1t9bB1 GLU 322 HB2 0.02 0.08 0.13 -0.04 2.09 2.29 1t9bB1 GLU 322 HB3 0.01 0.08 0.11 -0.04 1.99 2.16 1t9bB1 GLU 322 HG2 0.03 -0.00 -0.07 -0.04 2.34 2.25 1t9bB1 GLU 322 HG3 0.03 -0.03 0.03 -0.04 2.34 2.32 1t9bB1 LEU 323 H 0.02 0.57 -0.12 -0.55 8.37 8.29 1t9bB1 LEU 323 HA 0.03 0.03 0.41 -0.75 4.35 4.06 1t9bB1 LEU 323 HB2 -0.03 -0.01 0.09 -0.04 1.64 1.65 1t9bB1 LEU 323 HB3 -0.01 0.11 0.16 -0.04 1.64 1.85 1t9bB1 LEU 323 HG 0.01 0.01 -0.32 -0.04 1.64 1.31 1t9bB1 LEU 323 HD13 0.01 -0.01 -0.04 -0.04 0.93 0.85 1t9bB1 LEU 323 HD23 -0.08 -0.02 -0.09 -0.04 0.89 0.66 1t9bB1 SER 324 H 0.08 0.63 -0.11 -0.55 8.46 8.51 1t9bB1 SER 324 HA 0.08 -0.02 0.36 -0.75 4.49 4.16 1t9bB1 SER 324 HB2 0.08 -0.02 0.05 -0.04 3.95 4.02 1t9bB1 SER 324 HB3 0.25 0.05 0.14 -0.04 3.93 4.33 1t9bB1 ASP 325 H 0.11 0.60 -0.17 -0.55 8.40 8.39 1t9bB1 ASP 325 HA 0.12 0.00 0.47 -0.75 4.63 4.47 1t9bB1 ASP 325 HB2 0.07 0.09 0.15 -0.04 2.71 2.97 1t9bB1 ASP 325 HB3 0.07 -0.05 0.00 -0.04 2.70 2.68 1t9bB1 ARG 326 H 0.07 0.62 -0.04 -0.55 8.46 8.55 1t9bB1 ARG 326 HA 0.05 -0.02 0.44 -0.75 4.34 4.06 1t9bB1 ARG 326 HB2 0.05 0.03 0.13 -0.04 1.90 2.06 1t9bB1 ARG 326 HB3 0.05 0.02 0.14 -0.04 1.80 1.97 1t9bB1 ARG 326 HG2 0.06 0.04 -0.32 -0.04 1.67 1.41 1t9bB1 ARG 326 HG3 0.05 -0.09 0.01 -0.04 1.67 1.59 1t9bB1 ARG 326 HD2 0.04 -0.11 -0.06 -0.04 3.22 3.04 1t9bB1 ARG 326 HD3 0.04 -0.04 -0.06 -0.04 3.22 3.11 1t9bB1 ALA 327 H 0.07 0.60 -0.09 -0.55 8.40 8.43 1t9bB1 ALA 327 HA 0.06 0.15 0.79 -0.75 4.34 4.59 1t9bB1 ALA 327 HB3 0.06 -0.00 -0.04 -0.04 1.41 1.38 1t9bB1 GLN 328 H 0.10 0.21 -0.54 -0.55 8.47 7.70 1t9bB1 GLN 328 HA 0.21 0.05 0.31 -0.75 4.36 4.18 1t9bB1 GLN 328 HB2 0.03 0.14 -0.28 -0.04 2.15 1.99 1t9bB1 GLN 328 HB3 -0.03 -0.18 0.08 -0.04 2.02 1.85 1t9bB1 GLN 328 HG2 0.05 0.24 -0.21 -0.04 2.40 2.43 1t9bB1 GLN 328 HG3 -0.03 -0.14 -0.40 -0.04 2.39 1.77 1t9bB1 GLN 328 HE21 0.13 -0.17 0.04 -0.04 6.97 6.93 1t9bB1 GLN 328 HE22 0.10 0.47 0.14 -0.04 7.69 8.36 1t9bB1 ILE 329 H 0.17 0.37 0.03 -0.55 8.25 8.27 1t9bB1 ILE 329 HA 0.30 0.27 0.84 -0.75 4.18 4.83 1t9bB1 ILE 329 HB 0.08 -0.11 -0.06 -0.04 1.89 1.77 1t9bB1 ILE 329 HG12 0.13 0.10 -0.28 -0.04 1.49 1.39 1t9bB1 ILE 329 HG13 0.11 -0.04 -0.60 -0.04 1.21 0.64 1t9bB1 ILE 329 HG23 0.12 0.02 -0.34 -0.04 0.93 0.69 1t9bB1 ILE 329 HD13 0.06 -0.03 -0.19 -0.04 0.88 0.68 1t9bB1 PRO 330 HA -0.08 0.15 0.58 -0.51 4.44 4.58 1t9bB1 PRO 330 HB2 -0.13 -0.01 -0.05 -0.04 2.28 2.05 1t9bB1 PRO 330 HB3 -0.31 -0.01 0.05 -0.04 2.02 1.71 1t9bB1 PRO 330 HG2 0.20 -0.07 0.16 -0.04 2.03 2.28 1t9bB1 PRO 330 HG3 -0.05 -0.01 0.05 -0.04 2.03 1.99 1t9bB1 PRO 330 HD2 0.45 0.29 0.26 -0.04 3.68 4.64 1t9bB1 PRO 330 HD3 0.48 0.13 0.12 -0.04 3.65 4.34 1t9bB1 VAL 331 H -0.24 0.67 0.33 -0.55 8.24 8.45 1t9bB1 VAL 331 HA -0.18 0.24 1.25 -0.75 4.13 4.70 1t9bB1 VAL 331 HB -1.53 -0.06 0.04 -0.04 2.12 0.52 1t9bB1 VAL 331 HG13 -0.43 -0.03 -0.28 -0.04 0.97 0.19 1t9bB1 VAL 331 HG23 -0.57 0.03 -0.17 -0.04 0.95 0.21 1t9bB1 THR 332 H -0.05 0.77 0.38 -0.55 8.28 8.83 1t9bB1 THR 332 HA -0.02 0.24 0.96 -0.75 4.39 4.82 1t9bB1 THR 332 HB -0.01 0.00 -0.07 -0.04 4.32 4.21 1t9bB1 THR 332 HG23 0.07 0.00 -0.03 -0.04 1.22 1.22 1t9bB1 THR 333 H 0.04 0.36 0.10 -0.55 8.28 8.22 1t9bB1 THR 333 HA 0.02 0.28 1.14 -0.75 4.39 5.09 1t9bB1 THR 333 HB -0.00 -0.09 -0.12 -0.04 4.32 4.06 1t9bB1 THR 333 HG23 0.03 -0.00 -0.28 -0.04 1.22 0.93 1t9bB1 THR 334 H 0.01 0.51 0.30 -0.55 8.28 8.54 1t9bB1 THR 334 HA 0.06 0.16 0.55 -0.75 4.39 4.40 1t9bB1 THR 334 HB 0.02 -0.08 0.18 -0.04 4.32 4.40 1t9bB1 THR 334 HG23 0.11 0.06 -0.06 -0.04 1.22 1.29 1t9bB1 LEU 335 H 0.01 0.14 0.15 -0.55 8.37 8.12 1t9bB1 LEU 335 HA 0.02 0.18 0.41 -0.75 4.35 4.21 1t9bB1 LEU 335 HB2 0.03 0.04 0.10 -0.04 1.64 1.76 1t9bB1 LEU 335 HB3 -0.01 -0.09 0.09 -0.04 1.64 1.58 1t9bB1 LEU 335 HG 0.07 0.07 -0.19 -0.04 1.64 1.55 1t9bB1 LEU 335 HD13 0.16 0.02 -0.03 -0.04 0.93 1.04 1t9bB1 LEU 335 HD23 -0.06 -0.02 -0.14 -0.04 0.89 0.63 1t9bB1 GLN 336 H -0.03 -0.03 -0.14 -0.55 8.47 7.72 1t9bB1 GLN 336 HA -0.08 0.28 0.58 -0.75 4.36 4.39 1t9bB1 GLN 336 HB2 -0.06 -0.17 0.11 -0.04 2.15 1.99 1t9bB1 GLN 336 HB3 -0.07 0.18 0.21 -0.04 2.02 2.30 1t9bB1 GLN 336 HG2 -0.07 -0.17 0.01 -0.04 2.40 2.13 1t9bB1 GLN 336 HG3 -0.08 0.02 0.07 -0.04 2.39 2.37 1t9bB1 GLN 336 HE21 -0.20 0.36 0.14 -0.04 6.97 7.23 1t9bB1 GLN 336 HE22 -0.13 -0.21 0.10 -0.04 7.69 7.41 1t9bB1 GLY 337 H -0.04 0.23 -0.61 -0.55 8.43 7.47 1t9bB1 GLY 337 HA2 -0.05 0.25 0.52 -0.51 4.01 4.22 1t9bB1 GLY 337 HA3 -0.04 -0.01 0.13 -0.51 4.01 3.58 1t9bB1 LEU 338 H -0.10 0.21 -0.28 -0.55 8.37 7.65 1t9bB1 LEU 338 HA -0.11 -0.03 0.36 -0.75 4.35 3.81 1t9bB1 LEU 338 HB2 -0.52 0.09 0.12 -0.04 1.64 1.28 1t9bB1 LEU 338 HB3 -1.36 0.01 -0.02 -0.04 1.64 0.23 1t9bB1 LEU 338 HG -0.15 0.08 0.08 -0.04 1.64 1.61 1t9bB1 LEU 338 HD13 -0.46 0.02 0.06 -0.04 0.93 0.50 1t9bB1 LEU 338 HD23 -0.02 -0.01 -0.01 -0.04 0.89 0.81 1t9bB1 GLY 339 H 0.08 0.15 0.08 -0.55 8.43 8.19 1t9bB1 GLY 339 HA2 0.21 -0.10 0.05 -0.51 4.01 3.66 1t9bB1 GLY 339 HA3 0.03 0.25 0.68 -0.51 4.01 4.46 1t9bB1 SER 340 H 0.02 0.51 -0.23 -0.55 8.46 8.22 1t9bB1 SER 340 HA -0.00 0.11 0.41 -0.75 4.49 4.25 1t9bB1 SER 340 HB2 0.01 -0.07 -0.04 -0.04 3.95 3.81 1t9bB1 SER 340 HB3 -0.03 0.03 -0.05 -0.04 3.93 3.84 1t9bB1 PHE 341 H 0.18 0.04 -0.26 -0.55 8.34 7.75 1t9bB1 PHE 341 HA 0.03 0.19 0.79 -0.75 4.62 4.88 1t9bB1 PHE 341 HB2 0.01 -0.02 -0.24 -0.04 3.15 2.86 1t9bB1 PHE 341 HB3 0.04 -0.05 -0.13 -0.04 3.06 2.87 1t9bB1 PHE 341 HD2 0.02 -0.00 -0.17 -0.04 7.28 7.08 1t9bB1 PHE 341 HE2 0.01 -0.01 -0.18 -0.04 7.38 7.16 1t9bB1 PHE 341 HZ 0.02 -0.01 -0.11 -0.04 7.32 7.18 1t9bB1 ASP 342 H -0.60 0.16 0.06 -0.55 8.40 7.47 1t9bB1 ASP 342 HA -0.04 0.14 0.61 -0.75 4.63 4.59 1t9bB1 ASP 342 HB2 -0.16 0.15 0.15 -0.04 2.71 2.81 1t9bB1 ASP 342 HB3 -0.36 -0.03 0.20 -0.04 2.70 2.47 1t9bB1 GLN 343 H 0.08 0.70 0.42 -0.55 8.47 9.13 1t9bB1 GLN 343 HA 0.15 0.05 0.46 -0.75 4.36 4.27 1t9bB1 GLN 343 HB2 0.10 0.02 0.13 -0.04 2.15 2.36 1t9bB1 GLN 343 HB3 0.11 -0.00 0.17 -0.04 2.02 2.26 1t9bB1 GLN 343 HG2 0.23 -0.09 0.06 -0.04 2.40 2.56 1t9bB1 GLN 343 HG3 0.27 0.27 0.24 -0.04 2.39 3.12 1t9bB1 GLN 343 HE21 0.37 0.09 0.12 -0.04 6.97 7.51 1t9bB1 GLN 343 HE22 0.24 -0.09 0.06 -0.04 7.69 7.87 1t9bB1 GLU 344 H -0.02 0.01 -0.45 -0.55 8.60 7.59 1t9bB1 GLU 344 HA -0.01 0.14 0.53 -0.75 4.29 4.19 1t9bB1 GLU 344 HB2 -0.04 -0.03 -0.03 -0.04 2.09 1.96 1t9bB1 GLU 344 HB3 -0.03 -0.00 0.03 -0.04 1.99 1.95 1t9bB1 GLU 344 HG2 -0.03 -0.04 -0.09 -0.04 2.34 2.14 1t9bB1 GLU 344 HG3 -0.03 0.01 -0.04 -0.04 2.34 2.25 1t9bB1 ASP 345 H -0.05 0.35 -0.31 -0.55 8.40 7.84 1t9bB1 ASP 345 HA -0.02 0.11 0.52 -0.75 4.63 4.48 1t9bB1 ASP 345 HB2 -0.21 -0.02 0.11 -0.04 2.71 2.55 1t9bB1 ASP 345 HB3 -0.02 0.05 0.07 -0.04 2.70 2.76 1t9bB1 PRO 346 HA -0.01 0.13 0.39 -0.51 4.44 4.44 1t9bB1 PRO 346 HB2 0.02 0.01 0.01 -0.04 2.28 2.28 1t9bB1 PRO 346 HB3 -0.00 0.01 0.08 -0.04 2.02 2.07 1t9bB1 PRO 346 HG2 0.03 0.01 0.08 -0.04 2.03 2.12 1t9bB1 PRO 346 HG3 0.01 0.08 0.10 -0.04 2.03 2.18 1t9bB1 PRO 346 HD2 0.04 0.06 0.19 -0.04 3.68 3.93 1t9bB1 PRO 346 HD3 0.01 0.19 0.28 -0.04 3.65 4.09 1t9bB1 LYS 347 H 0.08 0.06 -0.32 -0.55 8.42 7.68 1t9bB1 LYS 347 HA -0.23 0.15 0.45 -0.75 4.32 3.94 1t9bB1 LYS 347 HB2 0.23 -0.02 -0.06 -0.04 1.87 1.98 1t9bB1 LYS 347 HB3 0.03 0.01 -0.00 -0.04 1.79 1.79 1t9bB1 LYS 347 HG2 -0.10 0.02 -0.16 -0.04 1.46 1.17 1t9bB1 LYS 347 HG3 0.12 -0.07 -0.09 -0.04 1.46 1.38 1t9bB1 LYS 347 HD2 0.27 0.05 -0.35 -0.04 1.69 1.62 1t9bB1 LYS 347 HD3 0.37 0.00 -0.13 -0.04 1.68 1.88 1t9bB1 LYS 347 HE2 0.24 -0.04 -0.21 -0.04 2.99 2.94 1t9bB1 LYS 347 HE3 0.19 0.17 -0.42 -0.04 2.99 2.89 1t9bB1 SER 348 H 0.14 0.50 -0.54 -0.55 8.46 8.01 1t9bB1 SER 348 HA 0.12 0.04 0.65 -0.75 4.49 4.55 1t9bB1 SER 348 HB2 0.42 0.02 0.03 -0.04 3.95 4.39 1t9bB1 SER 348 HB3 0.14 0.30 0.11 -0.04 3.93 4.44 1t9bB1 LEU 349 H -0.02 0.75 0.37 -0.55 8.37 8.92 1t9bB1 LEU 349 HA -0.04 0.18 0.74 -0.75 4.35 4.47 1t9bB1 LEU 349 HB2 -0.04 0.05 -0.16 -0.04 1.64 1.45 1t9bB1 LEU 349 HB3 -0.05 -0.15 -0.05 -0.04 1.64 1.35 1t9bB1 LEU 349 HG -0.10 0.05 -0.26 -0.04 1.64 1.30 1t9bB1 LEU 349 HD13 -0.02 -0.01 -0.23 -0.04 0.93 0.62 1t9bB1 LEU 349 HD23 -0.15 0.02 -0.19 -0.04 0.89 0.53 1t9bB1 ASP 350 H 0.07 0.04 0.05 -0.55 8.40 8.02 1t9bB1 ASP 350 HA 0.13 0.03 0.36 -0.75 4.63 4.40 1t9bB1 ASP 350 HB2 0.05 0.04 -0.26 -0.04 2.71 2.49 1t9bB1 ASP 350 HB3 0.03 0.10 0.33 -0.04 2.70 3.11 1t9bB1 MET 351 H 0.16 0.15 0.22 -0.55 8.47 8.45 1t9bB1 MET 351 HA 0.06 0.27 0.68 -0.75 4.52 4.78 1t9bB1 MET 351 HB2 0.09 0.03 0.06 -0.04 2.15 2.29 1t9bB1 MET 351 HB3 0.14 -0.02 0.09 -0.04 2.03 2.20 1t9bB1 MET 351 HG2 0.06 0.17 -0.13 -0.04 2.63 2.69 1t9bB1 MET 351 HG3 0.05 0.02 -0.02 -0.04 2.56 2.57 1t9bB1 MET 351 HE3 0.08 -0.00 -0.24 -0.04 2.10 1.89 1t9bB1 LEU 352 H 0.04 0.27 0.19 -0.55 8.37 8.32 1t9bB1 LEU 352 HA -0.02 0.21 0.81 -0.75 4.35 4.59 1t9bB1 LEU 352 HB2 -0.04 0.01 -0.08 -0.04 1.64 1.49 1t9bB1 LEU 352 HB3 -0.01 0.05 -0.13 -0.04 1.64 1.51 1t9bB1 LEU 352 HG -0.05 0.03 -0.39 -0.04 1.64 1.18 1t9bB1 LEU 352 HD13 -0.23 0.00 -0.16 -0.04 0.93 0.50 1t9bB1 LEU 352 HD23 0.07 -0.03 -0.22 -0.04 0.89 0.67 1t9bB1 GLY 353 H -0.02 0.20 0.09 -0.55 8.43 8.15 1t9bB1 GLY 353 HA2 -0.02 0.27 0.38 -0.51 4.01 4.13 1t9bB1 GLY 353 HA3 -0.01 0.15 1.04 -0.51 4.01 4.68 1t9bB1 MET 354 H -0.04 0.75 0.30 -0.55 8.47 8.94 1t9bB1 MET 354 HA -0.08 0.11 0.43 -0.75 4.52 4.23 1t9bB1 MET 354 HB2 -0.06 0.02 0.23 -0.04 2.15 2.30 1t9bB1 MET 354 HB3 -0.13 -0.10 0.19 -0.04 2.03 1.95 1t9bB1 MET 354 HG2 -0.88 -0.02 -0.18 -0.04 2.63 1.52 1t9bB1 MET 354 HG3 -0.15 0.22 0.10 -0.04 2.56 2.69 1t9bB1 MET 354 HE3 0.21 0.05 0.10 -0.04 2.10 2.42 1t9bB1 HIS 355 H 0.00 0.02 -0.28 -0.55 8.41 7.61 1t9bB1 HIS 355 HA 0.04 0.48 0.79 -0.75 4.63 5.19 1t9bB1 HIS 355 HB2 -0.01 -0.11 -0.03 -0.04 3.26 3.08 1t9bB1 HIS 355 HB3 -0.01 0.03 0.05 -0.04 3.20 3.22 1t9bB1 HIS 355 HD2 -0.00 -0.07 -0.06 -0.04 6.97 6.79 1t9bB1 HIS 355 HE1 0.05 0.02 -0.03 -0.04 7.75 7.74 1t9bB1 GLY 356 H 0.03 0.30 -0.65 -0.55 8.43 7.56 1t9bB1 GLY 356 HA2 0.14 0.04 0.30 -0.51 4.01 3.98 1t9bB1 GLY 356 HA3 0.04 -0.12 -0.17 -0.51 4.01 3.24 1t9bB1 CYS 357 H 0.05 0.32 0.23 -0.55 8.50 8.56 1t9bB1 CYS 357 HA -0.19 0.14 0.50 -0.75 4.58 4.28 1t9bB1 CYS 357 HB2 -0.51 0.05 0.18 -0.04 2.97 2.66 1t9bB1 CYS 357 HB3 -0.83 0.04 0.18 -0.04 2.97 2.32 1t9bB1 ALA 358 H -0.42 0.27 0.19 -0.55 8.40 7.90 1t9bB1 ALA 358 HA -0.80 0.09 0.38 -0.75 4.34 3.26 1t9bB1 ALA 358 HB3 -1.08 0.04 0.10 -0.04 1.41 0.43 1t9bB1 THR 359 H -0.21 0.19 -0.14 -0.55 8.28 7.57 1t9bB1 THR 359 HA -0.16 0.04 0.33 -0.75 4.39 3.84 1t9bB1 THR 359 HB -0.07 0.08 0.04 -0.04 4.32 4.32 1t9bB1 THR 359 HG23 0.10 0.02 -0.08 -0.04 1.22 1.22 1t9bB1 ALA 360 H -0.14 0.19 -0.26 -0.55 8.40 7.64 1t9bB1 ALA 360 HA -0.06 0.06 0.33 -0.75 4.34 3.93 1t9bB1 ALA 360 HB3 -0.05 0.10 -0.17 -0.04 1.41 1.25 1t9bB1 ASN 361 H -0.18 0.49 -0.18 -0.55 8.53 8.11 1t9bB1 ASN 361 HA -0.08 -0.05 0.36 -0.75 4.76 4.24 1t9bB1 ASN 361 HB2 -0.22 0.10 0.07 -0.04 2.88 2.80 1t9bB1 ASN 361 HB3 -0.06 0.04 -0.11 -0.04 2.79 2.62 1t9bB1 ASN 361 HD21 -0.05 0.30 -0.05 -0.04 7.03 7.19 1t9bB1 ASN 361 HD22 -0.11 0.05 -0.12 -0.04 7.74 7.52 1t9bB1 LEU 362 H -0.40 0.81 -0.11 -0.55 8.37 8.12 1t9bB1 LEU 362 HA -0.33 -0.04 0.39 -0.75 4.35 3.61 1t9bB1 LEU 362 HB2 -1.37 0.12 0.10 -0.04 1.64 0.45 1t9bB1 LEU 362 HB3 -2.01 -0.04 -0.04 -0.04 1.64 -0.50 1t9bB1 LEU 362 HG -0.41 0.06 0.06 -0.04 1.64 1.31 1t9bB1 LEU 362 HD13 -1.01 -0.02 -0.07 -0.04 0.93 -0.21 1t9bB1 LEU 362 HD23 -0.26 -0.02 0.01 -0.04 0.89 0.58 1t9bB1 ALA 363 H -0.23 0.60 -0.24 -0.55 8.40 7.98 1t9bB1 ALA 363 HA 0.45 0.01 0.34 -0.75 4.34 4.39 1t9bB1 ALA 363 HB3 0.08 0.05 0.06 -0.04 1.41 1.55 1t9bB1 VAL 364 H -0.02 0.51 -0.25 -0.55 8.24 7.93 1t9bB1 VAL 364 HA 0.03 0.04 0.37 -0.75 4.13 3.82 1t9bB1 VAL 364 HB -0.06 0.14 0.12 -0.04 2.12 2.28 1t9bB1 VAL 364 HG13 -0.20 -0.04 -0.15 -0.04 0.97 0.54 1t9bB1 VAL 364 HG23 -0.04 0.01 -0.05 -0.04 0.95 0.83 1t9bB1 GLN 365 H -0.06 0.44 -0.27 -0.55 8.47 8.03 1t9bB1 GLN 365 HA -0.13 -0.09 0.57 -0.75 4.36 3.96 1t9bB1 GLN 365 HB2 -0.08 0.14 0.12 -0.04 2.15 2.29 1t9bB1 GLN 365 HB3 -0.04 -0.06 0.10 -0.04 2.02 1.98 1t9bB1 GLN 365 HG2 -0.07 0.32 0.03 -0.04 2.40 2.64 1t9bB1 GLN 365 HG3 -0.05 -0.14 -0.11 -0.04 2.39 2.04 1t9bB1 GLN 365 HE21 -0.00 0.50 0.14 -0.04 6.97 7.57 1t9bB1 GLN 365 HE22 -0.02 -0.15 0.04 -0.04 7.69 7.52 1t9bB1 ASN 366 H 0.17 0.40 -0.35 -0.55 8.53 8.19 1t9bB1 ASN 366 HA 0.10 0.09 0.93 -0.75 4.76 5.13 1t9bB1 ASN 366 HB2 0.65 0.13 0.05 -0.04 2.88 3.67 1t9bB1 ASN 366 HB3 0.43 -0.07 0.09 -0.04 2.79 3.21 1t9bB1 ASN 366 HD21 0.14 -0.10 -0.06 -0.04 7.03 6.97 1t9bB1 ASN 366 HD22 0.09 0.38 -0.01 -0.04 7.74 8.15 1t9bB1 ALA 367 H 0.12 0.20 -0.19 -0.55 8.40 7.99 1t9bB1 ALA 367 HA -0.27 0.15 0.57 -0.75 4.34 4.04 1t9bB1 ALA 367 HB3 0.11 0.02 0.06 -0.04 1.41 1.56 1t9bB1 ASP 368 H -0.26 0.28 0.23 -0.55 8.40 8.11 1t9bB1 ASP 368 HA -0.08 0.19 0.49 -0.75 4.63 4.47 1t9bB1 ASP 368 HB2 -0.09 0.05 0.11 -0.04 2.71 2.74 1t9bB1 ASP 368 HB3 -0.15 0.04 0.07 -0.04 2.70 2.62 1t9bB1 LEU 369 H -0.07 0.24 -0.07 -0.55 8.37 7.92 1t9bB1 LEU 369 HA 0.00 0.21 0.84 -0.75 4.35 4.65 1t9bB1 LEU 369 HB2 -0.02 0.09 -0.18 -0.04 1.64 1.49 1t9bB1 LEU 369 HB3 -0.02 -0.07 0.01 -0.04 1.64 1.52 1t9bB1 LEU 369 HG 0.05 -0.04 -0.47 -0.04 1.64 1.14 1t9bB1 LEU 369 HD13 0.02 0.03 -0.27 -0.04 0.93 0.68 1t9bB1 LEU 369 HD23 0.02 0.05 -0.21 -0.04 0.89 0.70 1t9bB1 ILE 370 H 0.06 0.69 0.34 -0.55 8.25 8.79 1t9bB1 ILE 370 HA 0.11 0.27 1.05 -0.75 4.18 4.85 1t9bB1 ILE 370 HB 0.14 -0.02 0.19 -0.04 1.89 2.16 1t9bB1 ILE 370 HG12 0.03 0.05 -0.03 -0.04 1.49 1.50 1t9bB1 ILE 370 HG13 -0.00 -0.02 -0.21 -0.04 1.21 0.94 1t9bB1 ILE 370 HG23 0.23 -0.02 -0.16 -0.04 0.93 0.94 1t9bB1 ILE 370 HD13 -0.15 0.03 -0.02 -0.04 0.88 0.69 1t9bB1 ILE 371 H 0.14 0.73 0.29 -0.55 8.25 8.86 1t9bB1 ILE 371 HA 0.20 0.12 0.93 -0.75 4.18 4.68 1t9bB1 ILE 371 HB 0.10 -0.03 0.17 -0.04 1.89 2.08 1t9bB1 ILE 371 HG12 0.13 0.01 -0.17 -0.04 1.49 1.41 1t9bB1 ILE 371 HG13 0.10 -0.05 -0.30 -0.04 1.21 0.92 1t9bB1 ILE 371 HG23 0.21 -0.01 -0.16 -0.04 0.93 0.94 1t9bB1 ILE 371 HD13 0.07 0.02 -0.16 -0.04 0.88 0.77 1t9bB1 ALA 372 H 0.27 0.74 0.28 -0.55 8.40 9.15 1t9bB1 ALA 372 HA -0.04 0.27 0.83 -0.75 4.34 4.64 1t9bB1 ALA 372 HB3 0.13 -0.02 0.12 -0.04 1.41 1.60 1t9bB1 VAL 373 H -0.15 0.74 0.35 -0.55 8.24 8.63 1t9bB1 VAL 373 HA 0.12 0.15 1.07 -0.75 4.13 4.71 1t9bB1 VAL 373 HB -0.10 -0.02 0.14 -0.04 2.12 2.10 1t9bB1 VAL 373 HG13 -0.14 -0.01 -0.12 -0.04 0.97 0.66 1t9bB1 VAL 373 HG23 -0.17 0.06 -0.24 -0.04 0.95 0.56 1t9bB1 GLY 374 H 0.07 0.61 0.25 -0.55 8.43 8.81 1t9bB1 GLY 374 HA2 0.01 0.12 0.41 -0.51 4.01 4.03 1t9bB1 GLY 374 HA3 -0.03 -0.09 0.45 -0.51 4.01 3.84 1t9bB1 ALA 375 H 0.01 0.34 -0.09 -0.55 8.40 8.11 1t9bB1 ALA 375 HA -0.13 0.06 0.77 -0.75 4.34 4.28 1t9bB1 ALA 375 HB3 -0.75 0.01 -0.20 -0.04 1.41 0.44 1t9bB1 ARG 376 H -0.00 0.09 0.09 -0.55 8.46 8.08 1t9bB1 ARG 376 HA 0.29 0.35 0.97 -0.75 4.34 5.20 1t9bB1 ARG 376 HB2 0.10 0.09 0.15 -0.04 1.90 2.20 1t9bB1 ARG 376 HB3 0.07 0.04 -0.03 -0.04 1.80 1.84 1t9bB1 ARG 376 HG2 0.01 -0.09 0.06 -0.04 1.67 1.60 1t9bB1 ARG 376 HG3 0.04 -0.10 -0.13 -0.04 1.67 1.44 1t9bB1 ARG 376 HD2 0.00 0.04 0.00 -0.04 3.22 3.23 1t9bB1 ARG 376 HD3 -0.01 0.08 0.00 -0.04 3.22 3.25 1t9bB1 PHE 377 H -0.01 0.05 -0.22 -0.55 8.34 7.60 1t9bB1 PHE 377 HA 0.02 -0.00 0.24 -0.75 4.62 4.12 1t9bB1 PHE 377 HB2 -0.07 0.15 -0.10 -0.04 3.15 3.09 1t9bB1 PHE 377 HB3 -0.20 0.02 0.12 -0.04 3.06 2.96 1t9bB1 PHE 377 HD2 -0.23 -0.00 -0.21 -0.04 7.28 6.80 1t9bB1 PHE 377 HE2 -0.37 0.05 -0.08 -0.04 7.38 6.93 1t9bB1 PHE 377 HZ 0.03 0.05 -0.09 -0.04 7.32 7.27 1t9bB1 ASP 378 H 0.04 -0.08 -0.18 -0.55 8.40 7.63 1t9bB1 ASP 378 HA 0.01 0.27 0.43 -0.75 4.63 4.59 1t9bB1 ASP 378 HB2 -0.01 0.05 0.13 -0.04 2.71 2.83 1t9bB1 ASP 378 HB3 0.00 0.08 0.04 -0.04 2.70 2.79 1t9bB1 ASP 379 H -0.02 0.23 0.16 -0.55 8.40 8.22 1t9bB1 ASP 379 HA -0.05 0.16 0.42 -0.75 4.63 4.40 1t9bB1 ASP 379 HB2 -0.02 0.04 0.14 -0.04 2.71 2.83 1t9bB1 ASP 379 HB3 -0.03 0.08 0.13 -0.04 2.70 2.84 1t9bB1 ARG 380 H -0.03 0.06 -0.36 -0.55 8.46 7.58 1t9bB1 ARG 380 HA -0.02 0.22 0.73 -0.75 4.34 4.52 1t9bB1 ARG 380 HB2 -0.02 -0.03 -0.01 -0.04 1.90 1.80 1t9bB1 ARG 380 HB3 -0.01 -0.02 0.14 -0.04 1.80 1.86 1t9bB1 ARG 380 HG2 -0.04 -0.03 -0.03 -0.04 1.67 1.54 1t9bB1 ARG 380 HG3 -0.03 0.07 0.01 -0.04 1.67 1.67 1t9bB1 ARG 380 HD2 -0.04 0.02 -0.01 -0.04 3.22 3.15 1t9bB1 ARG 380 HD3 -0.01 -0.01 0.06 -0.04 3.22 3.22 1t9bB1 VAL 381 H -0.05 0.35 -0.26 -0.55 8.24 7.73 1t9bB1 VAL 381 HA -0.04 0.12 0.96 -0.75 4.13 4.42 1t9bB1 VAL 381 HB -0.07 0.09 0.02 -0.04 2.12 2.12 1t9bB1 VAL 381 HG13 -0.21 0.02 -0.31 -0.04 0.97 0.43 1t9bB1 VAL 381 HG23 0.01 -0.02 -0.12 -0.04 0.95 0.79 1t9bB1 THR 382 H -0.14 0.32 0.01 -0.55 8.28 7.92 1t9bB1 THR 382 HA -0.28 0.08 0.35 -0.75 4.39 3.79 1t9bB1 THR 382 HB -0.65 0.00 -0.06 -0.04 4.32 3.57 1t9bB1 THR 382 HG23 -0.43 0.03 -0.12 -0.04 1.22 0.66 1t9bB1 GLY 383 H -0.04 0.00 -0.44 -0.55 8.43 7.41 1t9bB1 GLY 383 HA2 0.01 0.06 0.07 -0.51 4.01 3.64 1t9bB1 GLY 383 HA3 0.04 0.04 0.21 -0.51 4.01 3.79 1t9bB1 ASN 384 H 0.03 0.60 0.04 -0.55 8.53 8.66 1t9bB1 ASN 384 HA 0.01 0.00 0.35 -0.75 4.76 4.38 1t9bB1 ASN 384 HB2 0.02 0.11 -0.31 -0.04 2.88 2.65 1t9bB1 ASN 384 HB3 0.03 -0.10 -0.11 -0.04 2.79 2.57 1t9bB1 ASN 384 HD21 0.01 -0.06 0.01 -0.04 7.03 6.95 1t9bB1 ASN 384 HD22 0.01 0.43 0.14 -0.04 7.74 8.27 1t9bB1 ILE 385 H 0.00 0.14 0.18 -0.55 8.25 8.03 1t9bB1 ILE 385 HA 0.03 0.12 0.22 -0.75 4.18 3.80 1t9bB1 ILE 385 HB -0.03 0.02 0.11 -0.04 1.89 1.95 1t9bB1 ILE 385 HG12 -0.03 0.12 -0.00 -0.04 1.49 1.53 1t9bB1 ILE 385 HG13 0.02 0.00 -0.12 -0.04 1.21 1.08 1t9bB1 ILE 385 HG23 0.00 -0.00 -0.03 -0.04 0.93 0.86 1t9bB1 ILE 385 HD13 -0.08 -0.01 -0.04 -0.04 0.88 0.71 1t9bB1 SER 386 H 0.03 0.04 -0.26 -0.55 8.46 7.73 1t9bB1 SER 386 HA 0.04 0.15 0.47 -0.75 4.49 4.40 1t9bB1 SER 386 HB2 0.02 0.03 0.07 -0.04 3.95 4.03 1t9bB1 SER 386 HB3 0.02 -0.02 0.06 -0.04 3.93 3.94 1t9bB1 LYS 387 H 0.07 0.39 -0.38 -0.55 8.42 7.94 1t9bB1 LYS 387 HA 0.03 0.18 0.76 -0.75 4.32 4.53 1t9bB1 LYS 387 HB2 0.04 0.06 0.02 -0.04 1.87 1.96 1t9bB1 LYS 387 HB3 0.02 -0.10 0.14 -0.04 1.79 1.81 1t9bB1 LYS 387 HG2 0.01 0.04 -0.09 -0.04 1.46 1.38 1t9bB1 LYS 387 HG3 0.02 -0.08 -0.14 -0.04 1.46 1.22 1t9bB1 LYS 387 HD2 0.01 0.03 -0.10 -0.04 1.69 1.59 1t9bB1 LYS 387 HD3 -0.00 -0.09 0.03 -0.04 1.68 1.59 1t9bB1 LYS 387 HE2 -0.00 -0.03 -0.01 -0.04 2.99 2.91 1t9bB1 LYS 387 HE3 0.01 -0.00 0.01 -0.04 2.99 2.97 1t9bB1 PHE 388 H 0.19 0.24 -0.35 -0.55 8.34 7.87 1t9bB1 PHE 388 HA -0.01 -0.08 0.48 -0.75 4.62 4.25 1t9bB1 PHE 388 HB2 0.00 0.11 -0.04 -0.04 3.15 3.19 1t9bB1 PHE 388 HB3 0.01 0.15 0.10 -0.04 3.06 3.27 1t9bB1 PHE 388 HD2 0.00 0.06 -0.08 -0.04 7.28 7.23 1t9bB1 PHE 388 HE2 0.05 -0.02 -0.12 -0.04 7.38 7.25 1t9bB1 PHE 388 HZ -0.16 -0.05 -0.12 -0.04 7.32 6.95 1t9bB1 ALA 389 H -0.49 0.06 0.13 -0.55 8.40 7.55 1t9bB1 ALA 389 HA -0.32 0.13 0.41 -0.75 4.34 3.79 1t9bB1 ALA 389 HB3 -0.65 0.01 -0.03 -0.04 1.41 0.70 1t9bB1 PRO 390 HA -0.03 0.08 0.39 -0.51 4.44 4.37 1t9bB1 PRO 390 HB2 -0.02 -0.01 -0.00 -0.04 2.28 2.22 1t9bB1 PRO 390 HB3 -0.02 0.05 0.05 -0.04 2.02 2.06 1t9bB1 PRO 390 HG2 -0.03 0.16 0.20 -0.04 2.03 2.32 1t9bB1 PRO 390 HG3 -0.02 -0.02 0.11 -0.04 2.03 2.06 1t9bB1 PRO 390 HD2 -0.11 0.02 0.31 -0.04 3.68 3.86 1t9bB1 PRO 390 HD3 -0.06 0.38 0.00 -0.04 3.65 3.93 1t9bB1 GLU 391 H -0.05 0.39 -0.10 -0.55 8.60 8.29 1t9bB1 GLU 391 HA -0.02 -0.00 0.45 -0.75 4.29 3.95 1t9bB1 GLU 391 HB2 -0.02 0.07 -0.24 -0.04 2.09 1.86 1t9bB1 GLU 391 HB3 -0.04 0.05 -0.38 -0.04 1.99 1.58 1t9bB1 GLU 391 HG2 0.02 0.01 0.08 -0.04 2.34 2.40 1t9bB1 GLU 391 HG3 0.03 0.10 0.03 -0.04 2.34 2.46 1t9bB1 ALA 392 H -0.08 0.14 -0.31 -0.55 8.40 7.61 1t9bB1 ALA 392 HA -0.04 0.12 0.44 -0.75 4.34 4.11 1t9bB1 ALA 392 HB3 -0.05 0.05 -0.05 -0.04 1.41 1.31 1t9bB1 ARG 393 H -0.04 0.45 -0.19 -0.55 8.46 8.13 1t9bB1 ARG 393 HA -0.01 0.01 0.44 -0.75 4.34 4.03 1t9bB1 ARG 393 HB2 -0.01 0.09 0.10 -0.04 1.90 2.04 1t9bB1 ARG 393 HB3 -0.00 -0.07 0.05 -0.04 1.80 1.73 1t9bB1 ARG 393 HG2 -0.04 0.44 0.07 -0.04 1.67 2.11 1t9bB1 ARG 393 HG3 0.01 -0.02 -0.02 -0.04 1.67 1.60 1t9bB1 ARG 393 HD2 0.01 -0.07 -0.01 -0.04 3.22 3.11 1t9bB1 ARG 393 HD3 -0.01 -0.16 -0.16 -0.04 3.22 2.85 1t9bB1 ARG 394 H -0.02 0.55 -0.14 -0.55 8.46 8.29 1t9bB1 ARG 394 HA -0.01 -0.00 0.41 -0.75 4.34 3.98 1t9bB1 ARG 394 HB2 -0.01 0.05 0.12 -0.04 1.90 2.02 1t9bB1 ARG 394 HB3 -0.02 0.12 0.12 -0.04 1.80 1.98 1t9bB1 ARG 394 HG2 -0.01 0.01 -0.15 -0.04 1.67 1.47 1t9bB1 ARG 394 HG3 -0.01 -0.05 0.03 -0.04 1.67 1.60 1t9bB1 ARG 394 HD2 -0.01 -0.04 -0.02 -0.04 3.22 3.11 1t9bB1 ARG 394 HD3 -0.01 -0.01 -0.01 -0.04 3.22 3.15 1t9bB1 ALA 395 H -0.03 0.54 -0.29 -0.55 8.40 8.07 1t9bB1 ALA 395 HA -0.03 0.02 0.30 -0.75 4.34 3.88 1t9bB1 ALA 395 HB3 -0.04 0.05 0.01 -0.04 1.41 1.39 1t9bB1 ALA 396 H -0.02 0.46 -0.40 -0.55 8.40 7.89 1t9bB1 ALA 396 HA -0.01 0.13 0.41 -0.75 4.34 4.12 1t9bB1 ALA 396 HB3 -0.01 0.01 0.12 -0.04 1.41 1.49 1t9bB1 ALA 397 H -0.01 0.58 -0.10 -0.55 8.40 8.32 1t9bB1 ALA 397 HA -0.01 -0.00 0.42 -0.75 4.34 3.99 1t9bB1 ALA 397 HB3 -0.01 0.01 0.11 -0.04 1.41 1.49 1t9bB1 GLU 398 H -0.01 0.26 -0.67 -0.55 8.60 7.64 1t9bB1 GLU 398 HA -0.01 0.11 0.76 -0.75 4.29 4.39 1t9bB1 GLU 398 HB2 -0.01 0.07 0.08 -0.04 2.09 2.18 1t9bB1 GLU 398 HB3 -0.01 -0.05 0.13 -0.04 1.99 2.02 1t9bB1 GLU 398 HG2 -0.01 -0.05 -0.01 -0.04 2.34 2.24 1t9bB1 GLU 398 HG3 -0.01 -0.01 -0.15 -0.04 2.34 2.13 1t9bB1 GLY 399 H -0.01 0.49 -0.41 -0.55 8.43 7.95 1t9bB1 GLY 399 HA2 -0.01 0.03 0.38 -0.51 4.01 3.90 1t9bB1 GLY 399 HA3 -0.01 -0.04 0.36 -0.51 4.01 3.82 1t9bB1 ARG 400 H -0.02 0.66 -0.15 -0.55 8.46 8.40 1t9bB1 ARG 400 HA -0.02 0.19 0.89 -0.75 4.34 4.65 1t9bB1 ARG 400 HB2 -0.02 -0.02 0.16 -0.04 1.90 1.97 1t9bB1 ARG 400 HB3 -0.02 0.05 -0.07 -0.04 1.80 1.72 1t9bB1 ARG 400 HG2 -0.02 0.07 -0.07 -0.04 1.67 1.60 1t9bB1 ARG 400 HG3 -0.03 -0.07 -0.12 -0.04 1.67 1.41 1t9bB1 ARG 400 HD2 -0.03 -0.03 0.01 -0.04 3.22 3.13 1t9bB1 ARG 400 HD3 -0.02 0.02 -0.01 -0.04 3.22 3.17 1t9bB1 GLY 401 H -0.02 0.21 -0.16 -0.55 8.43 7.92 1t9bB1 GLY 401 HA2 -0.02 0.04 0.20 -0.51 4.01 3.72 1t9bB1 GLY 401 HA3 -0.03 0.23 0.47 -0.51 4.01 4.17 1t9bB1 GLY 402 H -0.01 0.58 0.37 -0.55 8.43 8.82 1t9bB1 GLY 402 HA2 -0.00 0.24 0.33 -0.51 4.01 4.07 1t9bB1 GLY 402 HA3 0.01 0.11 1.03 -0.51 4.01 4.64 1t9bB1 ILE 403 H 0.03 0.12 0.21 -0.55 8.25 8.07 1t9bB1 ILE 403 HA 0.10 0.33 1.17 -0.75 4.18 5.03 1t9bB1 ILE 403 HB 0.05 -0.07 0.15 -0.04 1.89 1.99 1t9bB1 ILE 403 HG12 0.15 0.05 -0.08 -0.04 1.49 1.57 1t9bB1 ILE 403 HG13 0.06 -0.09 -0.45 -0.04 1.21 0.69 1t9bB1 ILE 403 HG23 0.22 -0.00 -0.19 -0.04 0.93 0.92 1t9bB1 ILE 403 HD13 0.17 0.03 -0.12 -0.04 0.88 0.92 1t9bB1 ILE 404 H 0.14 0.69 0.42 -0.55 8.25 8.96 1t9bB1 ILE 404 HA 0.03 0.24 0.98 -0.75 4.18 4.68 1t9bB1 ILE 404 HB 0.16 -0.05 0.13 -0.04 1.89 2.10 1t9bB1 ILE 404 HG12 0.00 0.02 -0.09 -0.04 1.49 1.38 1t9bB1 ILE 404 HG13 0.05 -0.07 -0.27 -0.04 1.21 0.88 1t9bB1 ILE 404 HG23 -0.10 -0.00 -0.15 -0.04 0.93 0.64 1t9bB1 ILE 404 HD13 0.06 0.00 -0.09 -0.04 0.88 0.81 1t9bB1 HIS 405 H 0.03 0.61 0.35 -0.55 8.41 8.86 1t9bB1 HIS 405 HA 0.18 0.28 1.12 -0.75 4.63 5.46 1t9bB1 HIS 405 HB2 0.12 -0.01 -0.15 -0.04 3.26 3.18 1t9bB1 HIS 405 HB3 0.03 -0.07 0.16 -0.04 3.20 3.28 1t9bB1 HIS 405 HD2 0.18 0.11 -0.05 -0.04 6.97 7.17 1t9bB1 HIS 405 HE1 0.15 0.21 0.04 -0.04 7.75 8.11 1t9bB1 PHE 406 H 0.46 0.78 0.29 -0.55 8.34 9.32 1t9bB1 PHE 406 HA -0.04 0.30 0.79 -0.75 4.62 4.91 1t9bB1 PHE 406 HB2 0.01 -0.11 0.34 -0.04 3.15 3.35 1t9bB1 PHE 406 HB3 -0.03 -0.04 0.07 -0.04 3.06 3.02 1t9bB1 PHE 406 HD2 0.01 0.07 -0.14 -0.04 7.28 7.18 1t9bB1 PHE 406 HE2 -0.00 0.03 -0.22 -0.04 7.38 7.14 1t9bB1 PHE 406 HZ -0.01 0.06 -0.16 -0.04 7.32 7.16 1t9bB1 GLU 407 H -0.17 0.47 0.07 -0.55 8.60 8.42 1t9bB1 GLU 407 HA -0.13 0.03 0.91 -0.75 4.29 4.34 1t9bB1 GLU 407 HB2 -1.09 0.02 -0.22 -0.04 2.09 0.76 1t9bB1 GLU 407 HB3 -0.40 0.04 -0.12 -0.04 1.99 1.47 1t9bB1 GLU 407 HG2 -0.13 0.07 -0.32 -0.04 2.34 1.92 1t9bB1 GLU 407 HG3 -0.10 -0.04 -0.40 -0.04 2.34 1.75 1t9bB1 VAL 408 H -0.04 0.09 0.14 -0.55 8.24 7.88 1t9bB1 VAL 408 HA -0.01 -0.03 0.68 -0.75 4.13 4.01 1t9bB1 VAL 408 HB 0.00 0.00 -0.02 -0.04 2.12 2.06 1t9bB1 VAL 408 HG13 -0.01 0.03 -0.20 -0.04 0.97 0.74 1t9bB1 VAL 408 HG23 0.01 -0.01 -0.17 -0.04 0.95 0.74 1t9bB1 SER 409 H -0.04 0.04 -0.03 -0.55 8.46 7.88 1t9bB1 SER 409 HA -0.02 0.35 1.04 -0.75 4.49 5.10 1t9bB1 SER 409 HB2 -0.03 0.08 0.01 -0.04 3.95 3.97 1t9bB1 SER 409 HB3 -0.02 -0.03 0.10 -0.04 3.93 3.94 1t9bB1 PRO 410 HA -0.00 0.07 0.35 -0.51 4.44 4.35 1t9bB1 PRO 410 HB2 0.00 0.03 0.03 -0.04 2.28 2.30 1t9bB1 PRO 410 HB3 -0.00 0.05 0.07 -0.04 2.02 2.10 1t9bB1 PRO 410 HG2 -0.00 0.06 0.08 -0.04 2.03 2.13 1t9bB1 PRO 410 HG3 0.00 0.05 0.05 -0.04 2.03 2.08 1t9bB1 PRO 410 HD2 -0.00 0.10 0.23 -0.04 3.68 3.96 1t9bB1 PRO 410 HD3 -0.01 0.34 0.31 -0.04 3.65 4.25 1t9bB1 LYS 411 H -0.00 0.10 -0.29 -0.55 8.42 7.68 1t9bB1 LYS 411 HA 0.01 0.10 0.36 -0.75 4.32 4.04 1t9bB1 LYS 411 HB2 -0.00 0.00 -0.05 -0.04 1.87 1.78 1t9bB1 LYS 411 HB3 0.01 0.04 0.04 -0.04 1.79 1.84 1t9bB1 LYS 411 HG2 0.02 0.02 0.02 -0.04 1.46 1.47 1t9bB1 LYS 411 HG3 0.01 -0.09 0.04 -0.04 1.46 1.38 1t9bB1 LYS 411 HD2 0.02 0.03 0.02 -0.04 1.69 1.72 1t9bB1 LYS 411 HD3 0.00 0.03 -0.00 -0.04 1.68 1.66 1t9bB1 LYS 411 HE2 0.04 -0.03 0.01 -0.04 2.99 2.97 1t9bB1 LYS 411 HE3 0.07 0.07 0.00 -0.04 2.99 3.09 1t9bB1 ASN 412 H 0.01 0.39 -0.43 -0.55 8.53 7.95 1t9bB1 ASN 412 HA 0.05 0.22 0.86 -0.75 4.76 5.14 1t9bB1 ASN 412 HB2 0.04 -0.00 0.04 -0.04 2.88 2.91 1t9bB1 ASN 412 HB3 0.14 -0.06 0.14 -0.04 2.79 2.97 1t9bB1 ASN 412 HD21 -0.02 0.07 -0.04 -0.04 7.03 7.00 1t9bB1 ASN 412 HD22 0.01 -0.07 -0.03 -0.04 7.74 7.61 1t9bB1 ILE 413 H 0.02 0.51 -0.32 -0.55 8.25 7.92 1t9bB1 ILE 413 HA 0.13 0.05 0.77 -0.75 4.18 4.37 1t9bB1 ILE 413 HB 0.01 0.14 0.13 -0.04 1.89 2.13 1t9bB1 ILE 413 HG12 -0.09 -0.02 -0.14 -0.04 1.49 1.20 1t9bB1 ILE 413 HG13 -0.04 0.07 -0.25 -0.04 1.21 0.94 1t9bB1 ILE 413 HG23 0.03 -0.01 -0.15 -0.04 0.93 0.75 1t9bB1 ILE 413 HD13 -0.03 0.01 -0.18 -0.04 0.88 0.63 1t9bB1 ASN 414 H 0.05 0.14 0.12 -0.55 8.53 8.29 1t9bB1 ASN 414 HA -0.06 0.18 0.30 -0.75 4.76 4.42 1t9bB1 ASN 414 HB2 -0.00 0.23 -0.19 -0.04 2.88 2.88 1t9bB1 ASN 414 HB3 -0.02 -0.01 0.14 -0.04 2.79 2.87 1t9bB1 ASN 414 HD21 0.01 0.04 -0.05 -0.04 7.03 6.99 1t9bB1 ASN 414 HD22 0.01 0.04 -0.11 -0.04 7.74 7.64 1t9bB1 LYS 415 H -0.02 0.04 -0.43 -0.55 8.42 7.45 1t9bB1 LYS 415 HA -0.01 0.19 0.58 -0.75 4.32 4.33 1t9bB1 LYS 415 HB2 0.01 0.17 -0.11 -0.04 1.87 1.90 1t9bB1 LYS 415 HB3 0.01 -0.06 -0.04 -0.04 1.79 1.66 1t9bB1 LYS 415 HG2 -0.00 -0.05 -0.14 -0.04 1.46 1.22 1t9bB1 LYS 415 HG3 0.00 0.01 0.04 -0.04 1.46 1.47 1t9bB1 LYS 415 HD2 0.01 -0.07 -0.02 -0.04 1.69 1.58 1t9bB1 LYS 415 HD3 0.02 0.21 0.04 -0.04 1.68 1.90 1t9bB1 LYS 415 HE2 0.04 0.01 -0.03 -0.04 2.99 2.97 1t9bB1 LYS 415 HE3 0.01 -0.04 -0.08 -0.04 2.99 2.84 1t9bB1 VAL 416 H -0.12 -0.06 -0.02 -0.55 8.24 7.50 1t9bB1 VAL 416 HA -0.06 0.23 0.91 -0.75 4.13 4.46 1t9bB1 VAL 416 HB -0.17 -0.06 0.06 -0.04 2.12 1.91 1t9bB1 VAL 416 HG13 -0.08 0.03 -0.07 -0.04 0.97 0.81 1t9bB1 VAL 416 HG23 -0.00 0.03 -0.08 -0.04 0.95 0.86 1t9bB1 VAL 417 H -0.27 0.06 0.04 -0.55 8.24 7.52 1t9bB1 VAL 417 HA -0.08 0.21 0.74 -0.75 4.13 4.25 1t9bB1 VAL 417 HB -0.12 0.03 -0.20 -0.04 2.12 1.79 1t9bB1 VAL 417 HG13 -0.48 -0.02 -0.21 -0.04 0.97 0.22 1t9bB1 VAL 417 HG23 0.03 0.07 -0.03 -0.04 0.95 0.98 1t9bB1 GLN 418 H -0.04 0.16 0.06 -0.55 8.47 8.10 1t9bB1 GLN 418 HA -0.05 0.05 0.49 -0.75 4.36 4.10 1t9bB1 GLN 418 HB2 -0.02 0.01 0.06 -0.04 2.15 2.16 1t9bB1 GLN 418 HB3 -0.02 -0.01 0.11 -0.04 2.02 2.06 1t9bB1 GLN 418 HG2 -0.01 0.06 -0.36 -0.04 2.40 2.05 1t9bB1 GLN 418 HG3 -0.01 0.01 -0.01 -0.04 2.39 2.34 1t9bB1 GLN 418 HE21 -0.01 -0.02 -0.02 -0.04 6.97 6.88 1t9bB1 GLN 418 HE22 -0.01 0.01 -0.02 -0.04 7.69 7.63 1t9bB1 THR 419 H -0.03 0.13 0.20 -0.55 8.28 8.03 1t9bB1 THR 419 HA -0.01 0.16 0.90 -0.75 4.39 4.68 1t9bB1 THR 419 HB 0.03 0.12 -0.07 -0.04 4.32 4.37 1t9bB1 THR 419 HG23 -0.12 0.03 -0.14 -0.04 1.22 0.95 1t9bB1 GLN 420 H 0.01 0.30 0.32 -0.55 8.47 8.55 1t9bB1 GLN 420 HA -0.00 0.11 0.62 -0.75 4.36 4.33 1t9bB1 GLN 420 HB2 0.01 -0.01 0.15 -0.04 2.15 2.26 1t9bB1 GLN 420 HB3 -0.00 0.03 0.02 -0.04 2.02 2.03 1t9bB1 GLN 420 HG2 -0.00 0.24 0.18 -0.04 2.40 2.78 1t9bB1 GLN 420 HG3 -0.00 0.02 0.07 -0.04 2.39 2.44 1t9bB1 GLN 420 HE21 -0.00 0.07 -0.17 -0.04 6.97 6.83 1t9bB1 GLN 420 HE22 -0.00 0.03 -0.14 -0.04 7.69 7.54 1t9bB1 ILE 421 H 0.00 0.38 0.16 -0.55 8.25 8.24 1t9bB1 ILE 421 HA -0.03 0.17 0.82 -0.75 4.18 4.38 1t9bB1 ILE 421 HB -0.06 -0.08 0.03 -0.04 1.89 1.74 1t9bB1 ILE 421 HG12 -0.04 0.11 -0.15 -0.04 1.49 1.37 1t9bB1 ILE 421 HG13 -0.02 -0.13 -0.65 -0.04 1.21 0.37 1t9bB1 ILE 421 HG23 -0.13 0.00 -0.18 -0.04 0.93 0.58 1t9bB1 ILE 421 HD13 -0.04 -0.02 -0.32 -0.04 0.88 0.46 1t9bB1 ALA 422 H -0.05 0.25 0.10 -0.55 8.40 8.15 1t9bB1 ALA 422 HA -0.06 0.16 1.01 -0.75 4.34 4.69 1t9bB1 ALA 422 HB3 -0.01 0.00 0.03 -0.04 1.41 1.39 1t9bB1 VAL 423 H -0.31 0.64 0.18 -0.55 8.24 8.20 1t9bB1 VAL 423 HA -0.25 0.12 0.84 -0.75 4.13 4.09 1t9bB1 VAL 423 HB -0.95 -0.07 0.06 -0.04 2.12 1.12 1t9bB1 VAL 423 HG13 -0.14 0.02 -0.19 -0.04 0.97 0.62 1t9bB1 VAL 423 HG23 -0.57 -0.00 -0.30 -0.04 0.95 0.04 1t9bB1 GLU 424 H -0.09 0.14 0.05 -0.55 8.60 8.16 1t9bB1 GLU 424 HA -0.05 0.35 0.56 -0.75 4.29 4.40 1t9bB1 GLU 424 HB2 0.05 -0.05 0.04 -0.04 2.09 2.09 1t9bB1 GLU 424 HB3 0.02 0.02 0.02 -0.04 1.99 2.00 1t9bB1 GLU 424 HG2 0.01 0.01 -0.10 -0.04 2.34 2.22 1t9bB1 GLU 424 HG3 0.03 0.04 -0.02 -0.04 2.34 2.35 1t9bB1 GLY 425 H -0.01 0.34 0.28 -0.55 8.43 8.49 1t9bB1 GLY 425 HA2 0.02 0.03 0.32 -0.51 4.01 3.86 1t9bB1 GLY 425 HA3 0.02 0.19 0.86 -0.51 4.01 4.56 1t9bB1 ASP 426 H 0.04 0.15 0.10 -0.55 8.40 8.14 1t9bB1 ASP 426 HA 0.04 0.10 0.46 -0.75 4.63 4.47 1t9bB1 ASP 426 HB2 0.06 0.14 0.13 -0.04 2.71 3.00 1t9bB1 ASP 426 HB3 0.05 -0.04 0.15 -0.04 2.70 2.83 1t9bB1 ALA 427 H 0.04 0.20 0.11 -0.55 8.40 8.21 1t9bB1 ALA 427 HA 0.14 0.12 0.23 -0.75 4.34 4.09 1t9bB1 ALA 427 HB3 -0.01 0.04 -0.00 -0.04 1.41 1.40 1t9bB1 THR 428 H -0.03 0.17 -0.11 -0.55 8.28 7.76 1t9bB1 THR 428 HA -0.13 0.11 0.32 -0.75 4.39 3.94 1t9bB1 THR 428 HB -0.29 -0.03 0.00 -0.04 4.32 3.96 1t9bB1 THR 428 HG23 -0.44 0.00 -0.31 -0.04 1.22 0.42 1t9bB1 THR 429 H -0.07 0.08 -0.31 -0.55 8.28 7.43 1t9bB1 THR 429 HA -0.08 0.07 0.37 -0.75 4.39 3.99 1t9bB1 THR 429 HB 0.02 0.10 0.05 -0.04 4.32 4.45 1t9bB1 THR 429 HG23 0.02 0.01 -0.08 -0.04 1.22 1.13 1t9bB1 ASN 430 H 0.03 0.48 -0.28 -0.55 8.53 8.22 1t9bB1 ASN 430 HA 0.06 0.03 0.43 -0.75 4.76 4.53 1t9bB1 ASN 430 HB2 0.26 0.08 -0.03 -0.04 2.88 3.15 1t9bB1 ASN 430 HB3 0.29 -0.04 -0.11 -0.04 2.79 2.90 1t9bB1 ASN 430 HD21 0.03 0.29 -0.31 -0.04 7.03 7.00 1t9bB1 ASN 430 HD22 0.12 -0.00 -0.59 -0.04 7.74 7.22 1t9bB1 LEU 431 H -0.07 0.56 -0.15 -0.55 8.37 8.16 1t9bB1 LEU 431 HA -0.10 0.04 0.40 -0.75 4.35 3.93 1t9bB1 LEU 431 HB2 -0.13 0.09 0.07 -0.04 1.64 1.63 1t9bB1 LEU 431 HB3 -0.13 0.01 -0.06 -0.04 1.64 1.41 1t9bB1 LEU 431 HG -0.39 0.13 -0.08 -0.04 1.64 1.26 1t9bB1 LEU 431 HD13 -0.19 -0.01 -0.16 -0.04 0.93 0.53 1t9bB1 LEU 431 HD23 -0.68 -0.01 -0.09 -0.04 0.89 0.07 1t9bB1 GLY 432 H -0.05 0.42 -0.31 -0.55 8.43 7.94 1t9bB1 GLY 432 HA2 -0.03 0.02 0.41 -0.51 4.01 3.91 1t9bB1 GLY 432 HA3 -0.03 0.05 0.29 -0.51 4.01 3.81 1t9bB1 LYS 433 H 0.01 0.33 -0.22 -0.55 8.42 7.98 1t9bB1 LYS 433 HA 0.01 0.04 0.44 -0.75 4.32 4.06 1t9bB1 LYS 433 HB2 0.03 0.09 0.08 -0.04 1.87 2.02 1t9bB1 LYS 433 HB3 0.01 -0.05 0.01 -0.04 1.79 1.73 1t9bB1 LYS 433 HG2 0.01 -0.04 0.00 -0.04 1.46 1.39 1t9bB1 LYS 433 HG3 0.01 0.16 0.05 -0.04 1.46 1.63 1t9bB1 LYS 433 HD2 0.02 -0.01 -0.09 -0.04 1.69 1.57 1t9bB1 LYS 433 HD3 0.01 -0.03 -0.03 -0.04 1.68 1.59 1t9bB1 LYS 433 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.92 1t9bB1 LYS 433 HE3 0.01 0.00 -0.05 -0.04 2.99 2.91 1t9bB1 MET 434 H 0.03 0.32 -0.39 -0.55 8.47 7.88 1t9bB1 MET 434 HA 0.02 0.09 0.57 -0.75 4.52 4.44 1t9bB1 MET 434 HB2 0.10 -0.02 0.01 -0.04 2.15 2.21 1t9bB1 MET 434 HB3 0.06 0.07 0.08 -0.04 2.03 2.19 1t9bB1 MET 434 HG2 0.03 0.01 -0.26 -0.04 2.63 2.37 1t9bB1 MET 434 HG3 0.03 0.00 -0.03 -0.04 2.56 2.53 1t9bB1 MET 434 HE3 0.06 0.01 -0.13 -0.04 2.10 1.99 1t9bB1 MET 435 H 0.01 0.41 -0.17 -0.55 8.47 8.17 1t9bB1 MET 435 HA 0.01 0.02 0.27 -0.75 4.52 4.06 1t9bB1 MET 435 HB2 -0.00 0.14 0.16 -0.04 2.15 2.40 1t9bB1 MET 435 HB3 0.01 -0.03 0.06 -0.04 2.03 2.03 1t9bB1 MET 435 HG2 0.01 -0.05 -0.04 -0.04 2.63 2.52 1t9bB1 MET 435 HG3 0.02 0.02 -0.11 -0.04 2.56 2.45 1t9bB1 MET 435 HE3 -0.01 0.04 -0.01 -0.04 2.10 2.07 1t9bB1 SER 436 H 0.02 0.16 -0.23 -0.55 8.46 7.87 1t9bB1 SER 436 HA 0.04 0.09 0.35 -0.75 4.49 4.22 1t9bB1 SER 436 HB2 0.03 -0.03 0.08 -0.04 3.95 3.99 1t9bB1 SER 436 HB3 0.02 -0.04 0.07 -0.04 3.93 3.94 1t9bB1 LYS 437 H 0.01 0.55 -0.41 -0.55 8.42 8.02 1t9bB1 LYS 437 HA 0.04 0.07 0.64 -0.75 4.32 4.32 1t9bB1 LYS 437 HB2 -0.02 0.12 0.04 -0.04 1.87 1.97 1t9bB1 LYS 437 HB3 -0.05 -0.08 0.10 -0.04 1.79 1.72 1t9bB1 LYS 437 HG2 0.01 -0.06 -0.04 -0.04 1.46 1.33 1t9bB1 LYS 437 HG3 0.01 -0.06 -0.10 -0.04 1.46 1.26 1t9bB1 LYS 437 HD2 -0.00 0.03 -0.02 -0.04 1.69 1.66 1t9bB1 LYS 437 HD3 -0.01 -0.08 -0.04 -0.04 1.68 1.50 1t9bB1 LYS 437 HE2 0.01 0.19 0.04 -0.04 2.99 3.18 1t9bB1 LYS 437 HE3 -0.00 -0.07 -0.06 -0.04 2.99 2.82 1t9bB1 ILE 438 H 0.01 0.46 -0.21 -0.55 8.25 7.97 1t9bB1 ILE 438 HA -0.14 0.03 0.59 -0.75 4.18 3.91 1t9bB1 ILE 438 HB 0.03 0.10 0.07 -0.04 1.89 2.04 1t9bB1 ILE 438 HG12 -0.00 0.12 -0.14 -0.04 1.49 1.42 1t9bB1 ILE 438 HG13 0.01 -0.09 -0.10 -0.04 1.21 0.98 1t9bB1 ILE 438 HG23 0.02 0.01 -0.26 -0.04 0.93 0.67 1t9bB1 ILE 438 HD13 -0.03 -0.01 -0.13 -0.04 0.88 0.66 1t9bB1 PHE 439 H -0.16 0.11 0.11 -0.55 8.34 7.84 1t9bB1 PHE 439 HA 0.01 0.07 0.44 -0.75 4.62 4.38 1t9bB1 PHE 439 HB2 0.01 0.01 0.12 -0.04 3.15 3.24 1t9bB1 PHE 439 HB3 0.01 0.04 0.01 -0.04 3.06 3.07 1t9bB1 PHE 439 HD2 0.00 0.06 -0.08 -0.04 7.28 7.22 1t9bB1 PHE 439 HE2 0.00 -0.03 -0.01 -0.04 7.38 7.30 1t9bB1 PHE 439 HZ 0.00 -0.07 0.00 -0.04 7.32 7.21 1t9bB1 PRO 440 HA 0.07 0.21 0.42 -0.51 4.44 4.64 1t9bB1 PRO 440 HB2 0.04 -0.09 0.05 -0.04 2.28 2.23 1t9bB1 PRO 440 HB3 0.04 0.03 0.09 -0.04 2.02 2.14 1t9bB1 PRO 440 HG2 0.04 -0.07 0.08 -0.04 2.03 2.05 1t9bB1 PRO 440 HG3 0.07 0.09 0.08 -0.04 2.03 2.22 1t9bB1 PRO 440 HD2 0.07 -0.02 0.21 -0.04 3.68 3.90 1t9bB1 PRO 440 HD3 0.15 0.25 0.28 -0.04 3.65 4.30 1t9bB1 VAL 441 H 0.05 0.79 0.39 -0.55 8.24 8.92 1t9bB1 VAL 441 HA 0.04 0.07 0.92 -0.75 4.13 4.41 1t9bB1 VAL 441 HB 0.04 0.01 -0.11 -0.04 2.12 2.02 1t9bB1 VAL 441 HG13 -0.01 -0.05 -0.20 -0.04 0.97 0.68 1t9bB1 VAL 441 HG23 0.06 0.08 -0.04 -0.04 0.95 1.00 1t9bB1 LYS 442 H 0.00 0.12 0.15 -0.55 8.42 8.14 1t9bB1 LYS 442 HA 0.00 0.11 0.51 -0.75 4.32 4.19 1t9bB1 LYS 442 HB2 -0.01 0.01 0.11 -0.04 1.87 1.95 1t9bB1 LYS 442 HB3 -0.01 -0.03 0.18 -0.04 1.79 1.88 1t9bB1 LYS 442 HG2 -0.02 -0.02 -0.24 -0.04 1.46 1.14 1t9bB1 LYS 442 HG3 -0.01 0.00 0.04 -0.04 1.46 1.46 1t9bB1 LYS 442 HD2 -0.01 -0.01 0.01 -0.04 1.69 1.64 1t9bB1 LYS 442 HD3 -0.01 -0.05 -0.02 -0.04 1.68 1.57 1t9bB1 LYS 442 HE2 -0.01 0.00 0.01 -0.04 2.99 2.96 1t9bB1 LYS 442 HE3 -0.01 0.04 0.02 -0.04 2.99 3.01 1t9bB1 GLU 443 H -0.04 0.22 0.09 -0.55 8.60 8.32 1t9bB1 GLU 443 HA -0.15 0.18 0.37 -0.75 4.29 3.94 1t9bB1 GLU 443 HB2 -0.12 -0.12 0.08 -0.04 2.09 1.89 1t9bB1 GLU 443 HB3 -0.06 0.26 -0.11 -0.04 1.99 2.04 1t9bB1 GLU 443 HG2 -0.04 -0.02 -0.16 -0.04 2.34 2.08 1t9bB1 GLU 443 HG3 -0.06 -0.07 -0.17 -0.04 2.34 2.01 1t9bB1 ARG 444 H -0.50 0.21 -0.00 -0.55 8.46 7.62 1t9bB1 ARG 444 HA -0.09 0.19 0.83 -0.75 4.34 4.51 1t9bB1 ARG 444 HB2 -0.69 0.03 0.20 -0.04 1.90 1.41 1t9bB1 ARG 444 HB3 0.09 -0.08 0.26 -0.04 1.80 2.03 1t9bB1 ARG 444 HG2 -0.03 0.04 0.02 -0.04 1.67 1.66 1t9bB1 ARG 444 HG3 -0.12 -0.02 -0.24 -0.04 1.67 1.25 1t9bB1 ARG 444 HD2 0.33 0.08 0.15 -0.04 3.22 3.74 1t9bB1 ARG 444 HD3 0.15 -0.04 0.04 -0.04 3.22 3.32 1t9bB1 SER 445 H -0.09 0.23 -0.10 -0.55 8.46 7.95 1t9bB1 SER 445 HA -0.03 0.09 0.37 -0.75 4.49 4.16 1t9bB1 SER 445 HB2 -0.01 -0.02 0.10 -0.04 3.95 3.98 1t9bB1 SER 445 HB3 -0.00 0.03 0.00 -0.04 3.93 3.92 1t9bB1 GLU 446 H 0.03 0.14 -0.08 -0.55 8.60 8.15 1t9bB1 GLU 446 HA 0.04 0.07 0.48 -0.75 4.29 4.13 1t9bB1 GLU 446 HB2 0.03 -0.01 0.11 -0.04 2.09 2.19 1t9bB1 GLU 446 HB3 0.08 0.06 0.09 -0.04 1.99 2.18 1t9bB1 GLU 446 HG2 0.07 0.03 -0.10 -0.04 2.34 2.30 1t9bB1 GLU 446 HG3 0.03 -0.02 0.05 -0.04 2.34 2.35 1t9bB1 TRP 447 H 0.27 0.13 -0.11 -0.55 7.97 7.71 1t9bB1 TRP 447 HA 0.02 0.04 0.44 -0.75 4.62 4.36 1t9bB1 TRP 447 HB2 0.05 0.10 0.24 -0.04 3.23 3.58 1t9bB1 TRP 447 HB3 0.12 0.08 0.21 -0.04 3.23 3.61 1t9bB1 TRP 447 HD1 0.28 0.11 0.07 -0.04 7.22 7.64 1t9bB1 TRP 447 HE1 0.13 0.50 -0.00 -0.04 10.20 10.79 1t9bB1 TRP 447 HE3 0.02 -0.07 0.09 -0.04 7.59 7.59 1t9bB1 TRP 447 HZ2 0.12 0.06 -0.17 -0.04 7.44 7.40 1t9bB1 TRP 447 HZ3 0.17 -0.04 -0.05 -0.04 7.13 7.17 1t9bB1 TRP 447 HH2 0.24 0.03 -0.10 -0.04 7.19 7.33 1t9bB1 PHE 448 H 0.35 0.68 -0.03 -0.55 8.34 8.79 1t9bB1 PHE 448 HA -0.26 0.07 0.41 -0.75 4.62 4.08 1t9bB1 PHE 448 HB2 -0.00 0.04 0.08 -0.04 3.15 3.22 1t9bB1 PHE 448 HB3 -0.06 -0.04 -0.04 -0.04 3.06 2.89 1t9bB1 PHE 448 HD2 -0.03 -0.10 -0.07 -0.04 7.28 7.04 1t9bB1 PHE 448 HE2 0.11 0.08 -0.05 -0.04 7.38 7.48 1t9bB1 PHE 448 HZ 0.08 0.04 -0.25 -0.04 7.32 7.15 1t9bB1 ALA 449 H 0.08 0.53 -0.18 -0.55 8.40 8.28 1t9bB1 ALA 449 HA -0.03 0.00 0.45 -0.75 4.34 4.01 1t9bB1 ALA 449 HB3 -0.02 0.02 0.13 -0.04 1.41 1.51 1t9bB1 GLN 450 H -0.12 0.56 -0.12 -0.55 8.47 8.25 1t9bB1 GLN 450 HA -0.43 -0.02 0.43 -0.75 4.36 3.59 1t9bB1 GLN 450 HB2 -0.19 -0.02 0.13 -0.04 2.15 2.03 1t9bB1 GLN 450 HB3 -0.29 0.21 0.19 -0.04 2.02 2.10 1t9bB1 GLN 450 HG2 -0.43 0.02 -0.03 -0.04 2.40 1.92 1t9bB1 GLN 450 HG3 -2.10 -0.00 -0.28 -0.04 2.39 -0.03 1t9bB1 GLN 450 HE21 -0.55 -0.02 0.01 -0.04 6.97 6.38 1t9bB1 GLN 450 HE22 -2.09 -0.06 0.08 -0.04 7.69 5.58 1t9bB1 ILE 451 H -0.45 0.51 -0.16 -0.55 8.25 7.60 1t9bB1 ILE 451 HA -0.18 -0.01 0.43 -0.75 4.18 3.66 1t9bB1 ILE 451 HB -0.42 0.10 0.17 -0.04 1.89 1.70 1t9bB1 ILE 451 HG12 -0.44 -0.06 0.01 -0.04 1.49 0.95 1t9bB1 ILE 451 HG13 -1.13 0.12 0.06 -0.04 1.21 0.23 1t9bB1 ILE 451 HG23 -0.21 -0.01 -0.14 -0.04 0.93 0.53 1t9bB1 ILE 451 HD13 -1.06 -0.00 -0.08 -0.04 0.88 -0.30 1t9bB1 ASN 452 H -0.18 0.62 -0.15 -0.55 8.53 8.27 1t9bB1 ASN 452 HA -0.07 0.04 0.49 -0.75 4.76 4.47 1t9bB1 ASN 452 HB2 -0.07 0.10 0.17 -0.04 2.88 3.03 1t9bB1 ASN 452 HB3 -0.05 -0.08 0.04 -0.04 2.79 2.66 1t9bB1 ASN 452 HD21 -0.01 -0.04 -0.05 -0.04 7.03 6.89 1t9bB1 ASN 452 HD22 -0.01 -0.06 -0.08 -0.04 7.74 7.55 1t9bB1 LYS 453 H -0.21 0.48 -0.24 -0.55 8.42 7.89 1t9bB1 LYS 453 HA -0.06 0.01 0.48 -0.75 4.32 4.00 1t9bB1 TRP 454 H -0.08 0.46 -0.21 -0.55 7.97 7.59 1t9bB1 TRP 454 HA 0.14 0.00 0.43 -0.75 4.62 4.44 1t9bB1 TRP 454 HB2 -0.03 0.23 0.18 -0.04 3.23 3.57 1t9bB1 TRP 454 HB3 0.09 -0.13 -0.03 -0.04 3.23 3.12 1t9bB1 TRP 454 HD1 0.24 -0.04 -0.06 -0.04 7.22 7.32 1t9bB1 TRP 454 HE1 0.13 -0.04 -0.04 -0.04 10.20 10.22 1t9bB1 TRP 454 HE3 -0.16 0.04 0.01 -0.04 7.59 7.44 1t9bB1 TRP 454 HZ2 0.11 -0.03 -0.07 -0.04 7.44 7.41 1t9bB1 TRP 454 HZ3 -0.22 0.01 -0.16 -0.04 7.13 6.72 1t9bB1 TRP 454 HH2 0.21 0.04 -0.15 -0.04 7.19 7.25 1t9bB1 LYS 455 H 0.12 0.46 -0.16 -0.55 8.42 8.29 1t9bB1 LYS 455 HA 0.06 -0.01 0.37 -0.75 4.32 3.99 1t9bB1 LYS 455 HB2 -0.00 0.08 0.16 -0.04 1.87 2.07 1t9bB1 LYS 455 HB3 -0.00 -0.03 -0.02 -0.04 1.79 1.70 1t9bB1 LYS 455 HG2 -0.01 -0.08 0.02 -0.04 1.46 1.35 1t9bB1 LYS 455 HG3 0.01 0.20 0.04 -0.04 1.46 1.66 1t9bB1 LYS 455 HD2 -0.06 -0.04 -0.02 -0.04 1.69 1.53 1t9bB1 LYS 455 HD3 -0.03 -0.03 -0.00 -0.04 1.68 1.57 1t9bB1 LYS 455 HE2 -0.05 -0.05 0.03 -0.04 2.99 2.87 1t9bB1 LYS 455 HE3 -0.10 -0.08 -0.08 -0.04 2.99 2.69 1t9bB1 LYS 456 H 0.02 0.46 -0.21 -0.55 8.42 8.13 1t9bB1 LYS 456 HA -0.00 0.03 0.47 -0.75 4.32 4.06 1t9bB1 GLU 457 H 0.01 0.39 -0.24 -0.55 8.60 8.21 1t9bB1 GLU 457 HA -0.14 0.01 0.54 -0.75 4.29 3.95 1t9bB1 GLU 457 HB2 -0.11 -0.03 0.11 -0.04 2.09 2.01 1t9bB1 GLU 457 HB3 -0.11 0.06 0.19 -0.04 1.99 2.09 1t9bB1 GLU 457 HG2 -0.75 -0.05 -0.04 -0.04 2.34 1.46 1t9bB1 GLU 457 HG3 -1.42 0.01 -0.24 -0.04 2.34 0.65 1t9bB1 TYR 458 H 0.10 0.67 -0.09 -0.55 8.29 8.42 1t9bB1 TYR 458 HA 0.03 0.25 1.21 -0.75 4.56 5.30 1t9bB1 TYR 458 HB2 -0.09 -0.05 0.22 -0.04 3.06 3.09 1t9bB1 TYR 458 HB3 -0.12 -0.10 0.20 -0.04 2.98 2.92 1t9bB1 TYR 458 HD2 0.11 0.05 0.02 -0.04 7.15 7.29 1t9bB1 TYR 458 HE2 0.23 -0.02 -0.03 -0.04 6.85 6.99 1t9bB1 PRO 459 HA -0.07 0.11 0.57 -0.51 4.44 4.55 1t9bB1 PRO 459 HB2 0.07 -0.06 0.01 -0.04 2.28 2.26 1t9bB1 PRO 459 HB3 0.02 0.14 0.09 -0.04 2.02 2.23 1t9bB1 PRO 459 HG2 0.08 -0.13 -0.05 -0.04 2.03 1.89 1t9bB1 PRO 459 HG3 0.04 0.04 0.01 -0.04 2.03 2.08 1t9bB1 PRO 459 HD2 0.04 0.18 -0.07 -0.04 3.68 3.79 1t9bB1 PRO 459 HD3 0.01 0.33 -0.32 -0.04 3.65 3.64 1t9bB1 TYR 460 H 0.09 0.16 0.11 -0.55 8.29 8.10 1t9bB1 TYR 460 HA 0.09 0.14 0.53 -0.75 4.56 4.56 1t9bB1 TYR 460 HB2 0.05 -0.02 0.18 -0.04 3.06 3.24 1t9bB1 TYR 460 HB3 0.04 -0.03 0.17 -0.04 2.98 3.12 1t9bB1 TYR 460 HD2 -0.04 0.07 0.07 -0.04 7.15 7.22 1t9bB1 TYR 460 HE2 -0.02 0.11 -0.01 -0.04 6.85 6.89 1t9bB1 ALA 461 H 0.20 0.58 -0.04 -0.55 8.40 8.59 1t9bB1 ALA 461 HA 0.05 0.02 0.36 -0.75 4.34 4.03 1t9bB1 ALA 461 HB3 0.21 -0.00 0.03 -0.04 1.41 1.60 1t9bB1 TYR 462 H -0.56 0.29 0.20 -0.55 8.29 7.67 1t9bB1 TYR 462 HA -1.58 0.07 0.47 -0.75 4.56 2.77 1t9bB1 TYR 462 HB2 -0.32 -0.09 0.06 -0.04 3.06 2.67 1t9bB1 TYR 462 HB3 -0.20 0.24 -0.25 -0.04 2.98 2.73 1t9bB1 TYR 462 HD2 -0.16 0.26 -0.27 -0.04 7.15 6.94 1t9bB1 TYR 462 HE2 -0.20 -0.00 -0.12 -0.04 6.85 6.49 1t9bB1 MET 463 H -0.21 0.16 0.08 -0.55 8.47 7.95 1t9bB1 MET 463 HA -0.00 0.07 0.60 -0.75 4.52 4.44 1t9bB1 MET 463 HB2 0.31 -0.04 0.10 -0.04 2.15 2.48 1t9bB1 MET 463 HB3 0.10 -0.03 0.17 -0.04 2.03 2.24 1t9bB1 MET 463 HG2 0.11 -0.02 -0.01 -0.04 2.63 2.66 1t9bB1 MET 463 HG3 0.06 0.21 -0.16 -0.04 2.56 2.63 1t9bB1 MET 463 HE3 0.16 -0.02 0.05 -0.04 2.10 2.25 1t9bB1 GLU 464 H -0.22 0.18 0.22 -0.55 8.60 8.23 1t9bB1 GLU 464 HA -0.08 -0.01 0.47 -0.75 4.29 3.92 1t9bB1 GLU 464 HB2 -0.18 0.03 0.12 -0.04 2.09 2.02 1t9bB1 GLU 464 HB3 -0.13 -0.01 0.12 -0.04 1.99 1.93 1t9bB1 GLU 464 HG2 -0.46 -0.06 -0.00 -0.04 2.34 1.78 1t9bB1 GLU 464 HG3 -0.98 0.08 -0.04 -0.04 2.34 1.35 1t9bB1 GLU 465 H -0.03 0.02 0.14 -0.55 8.60 8.19 1t9bB1 GLU 465 HA -0.01 0.08 0.38 -0.75 4.29 3.99 1t9bB1 GLU 465 HB2 -0.03 -0.02 0.10 -0.04 2.09 2.11 1t9bB1 GLU 465 HB3 -0.02 0.05 -0.06 -0.04 1.99 1.92 1t9bB1 GLU 465 HG2 -0.03 -0.03 0.02 -0.04 2.34 2.27 1t9bB1 GLU 465 HG3 -0.02 0.20 0.06 -0.04 2.34 2.53 1t9bB1 THR 466 H -0.01 0.18 0.21 -0.55 8.28 8.12 1t9bB1 THR 466 HA -0.01 0.19 0.77 -0.75 4.39 4.59 1t9bB1 THR 466 HB 0.00 0.03 0.11 -0.04 4.32 4.43 1t9bB1 THR 466 HG23 0.00 0.05 -0.13 -0.04 1.22 1.11 1t9bB1 PRO 467 HA -0.01 -0.04 0.46 -0.51 4.44 4.34 1t9bB1 PRO 467 HB2 -0.00 0.04 0.11 -0.04 2.28 2.39 1t9bB1 PRO 467 HB3 -0.00 0.03 0.09 -0.04 2.02 2.10 1t9bB1 PRO 467 HG2 -0.00 0.06 0.09 -0.04 2.03 2.14 1t9bB1 PRO 467 HG3 -0.01 0.04 0.08 -0.04 2.03 2.10 1t9bB1 PRO 467 HD2 -0.00 0.12 0.20 -0.04 3.68 3.96 1t9bB1 PRO 467 HD3 -0.01 0.16 0.20 -0.04 3.65 3.97 1t9bB1 GLY 468 H -0.00 0.07 0.21 -0.55 8.43 8.15 1t9bB1 GLY 468 HA2 -0.00 -0.05 0.40 -0.51 4.01 3.85 1t9bB1 GLY 468 HA3 -0.00 0.09 0.45 -0.51 4.01 4.04 1t9bB1 SER 469 H -0.00 0.43 -0.52 -0.55 8.46 7.82 1t9bB1 SER 469 HA 0.01 0.05 0.42 -0.75 4.49 4.22 1t9bB1 SER 469 HB2 0.01 -0.04 0.13 -0.04 3.95 4.01 1t9bB1 SER 469 HB3 0.01 0.02 0.05 -0.04 3.93 3.97 1t9bB1 LYS 470 H 0.01 0.06 0.15 -0.55 8.42 8.08 1t9bB1 LYS 470 HA -0.00 0.14 0.56 -0.75 4.32 4.26 1t9bB1 LYS 470 HB2 0.01 -0.07 0.01 -0.04 1.87 1.77 1t9bB1 LYS 470 HB3 -0.00 0.06 -0.06 -0.04 1.79 1.74 1t9bB1 LYS 470 HG2 0.01 0.04 0.00 -0.04 1.46 1.47 1t9bB1 LYS 470 HG3 0.01 -0.02 0.05 -0.04 1.46 1.46 1t9bB1 LYS 470 HD2 0.03 -0.08 -0.03 -0.04 1.69 1.57 1t9bB1 LYS 470 HD3 0.02 0.07 -0.20 -0.04 1.68 1.53 1t9bB1 LYS 470 HE2 0.02 -0.01 -0.02 -0.04 2.99 2.93 1t9bB1 LYS 470 HE3 0.02 0.01 -0.00 -0.04 2.99 2.98 1t9bB1 ILE 471 H -0.02 0.26 0.17 -0.55 8.25 8.10 1t9bB1 ILE 471 HA -0.04 0.01 0.45 -0.75 4.18 3.85 1t9bB1 ILE 471 HB -0.05 0.25 0.09 -0.04 1.89 2.15 1t9bB1 ILE 471 HG12 -0.04 -0.05 -0.07 -0.04 1.49 1.29 1t9bB1 ILE 471 HG13 -0.03 0.03 -0.05 -0.04 1.21 1.12 1t9bB1 ILE 471 HG23 -0.08 -0.03 -0.21 -0.04 0.93 0.58 1t9bB1 ILE 471 HD13 -0.04 0.02 -0.39 -0.04 0.88 0.43 1t9bB1 LYS 472 H -0.07 0.11 0.17 -0.55 8.42 8.07 1t9bB1 LYS 472 HA -0.14 0.20 0.79 -0.75 4.32 4.41 1t9bB1 LYS 472 HB2 -0.07 -0.15 0.14 -0.04 1.87 1.75 1t9bB1 LYS 472 HB3 -0.15 0.05 0.06 -0.04 1.79 1.70 1t9bB1 LYS 472 HG2 -0.02 -0.06 0.02 -0.04 1.46 1.35 1t9bB1 LYS 472 HG3 0.04 0.05 0.01 -0.04 1.46 1.52 1t9bB1 LYS 472 HD2 -0.02 0.03 0.00 -0.04 1.69 1.66 1t9bB1 LYS 472 HD3 -0.03 -0.02 -0.21 -0.04 1.68 1.37 1t9bB1 LYS 472 HE2 0.00 -0.04 -0.14 -0.04 2.99 2.77 1t9bB1 LYS 472 HE3 0.01 0.21 -0.51 -0.04 2.99 2.66 1t9bB1 PRO 473 HA -0.24 0.07 0.36 -0.51 4.44 4.12 1t9bB1 PRO 473 HB2 -0.58 0.03 -0.06 -0.04 2.28 1.63 1t9bB1 PRO 473 HB3 -0.18 0.03 0.04 -0.04 2.02 1.87 1t9bB1 PRO 473 HG2 -1.67 0.01 0.05 -0.04 2.03 0.37 1t9bB1 PRO 473 HG3 -0.76 0.10 0.02 -0.04 2.03 1.34 1t9bB1 PRO 473 HD2 -0.37 0.15 0.22 -0.04 3.68 3.63 1t9bB1 PRO 473 HD3 -0.22 0.19 0.21 -0.04 3.65 3.79 1t9bB1 GLN 474 H -1.02 0.17 -0.19 -0.55 8.47 6.88 1t9bB1 GLN 474 HA -0.79 0.11 0.36 -0.75 4.36 3.28 1t9bB1 GLN 474 HB2 -2.15 -0.02 -0.06 -0.04 2.15 -0.12 1t9bB1 GLN 474 HB3 -1.87 0.15 -0.01 -0.04 2.02 0.24 1t9bB1 GLN 474 HG2 -0.86 0.17 -0.03 -0.04 2.40 1.64 1t9bB1 GLN 474 HG3 -2.08 -0.07 -0.03 -0.04 2.39 0.17 1t9bB1 GLN 474 HE21 -0.20 -0.02 -0.03 -0.04 6.97 6.69 1t9bB1 GLN 474 HE22 -0.14 0.14 -0.03 -0.04 7.69 7.62 1t9bB1 THR 475 H -0.43 0.09 -0.38 -0.55 8.28 7.01 1t9bB1 THR 475 HA -0.16 0.13 0.40 -0.75 4.39 4.00 1t9bB1 THR 475 HB -0.11 0.09 0.12 -0.04 4.32 4.38 1t9bB1 THR 475 HG23 -0.05 0.01 -0.05 -0.04 1.22 1.08 1t9bB1 VAL 476 H -0.20 0.32 -0.22 -0.55 8.24 7.59 1t9bB1 VAL 476 HA -0.08 0.01 0.32 -0.75 4.13 3.63 1t9bB1 VAL 476 HB -0.09 0.13 0.06 -0.04 2.12 2.17 1t9bB1 VAL 476 HG13 -0.04 -0.01 -0.16 -0.04 0.97 0.72 1t9bB1 VAL 476 HG23 -0.10 0.03 -0.10 -0.04 0.95 0.74 1t9bB1 ILE 477 H -0.13 0.36 -0.24 -0.55 8.25 7.70 1t9bB1 ILE 477 HA 0.13 0.01 0.28 -0.75 4.18 3.85 1t9bB1 ILE 477 HB -0.02 0.13 0.03 -0.04 1.89 1.98 1t9bB1 ILE 477 HG12 -0.01 0.17 0.01 -0.04 1.49 1.62 1t9bB1 ILE 477 HG13 0.20 -0.06 -0.34 -0.04 1.21 0.98 1t9bB1 ILE 477 HG23 0.28 0.06 -0.23 -0.04 0.93 1.00 1t9bB1 ILE 477 HD13 0.20 -0.03 -0.11 -0.04 0.88 0.90 1t9bB1 LYS 478 H -0.16 0.40 -0.16 -0.55 8.42 7.95 1t9bB1 LYS 478 HA -0.14 0.22 0.41 -0.75 4.32 4.04 1t9bB1 LYS 478 HB2 -0.11 -0.02 0.14 -0.04 1.87 1.83 1t9bB1 LYS 478 HB3 -0.08 -0.02 0.02 -0.04 1.79 1.67 1t9bB1 LYS 478 HG2 0.01 0.13 0.09 -0.04 1.46 1.65 1t9bB1 LYS 478 HG3 -0.29 0.19 0.12 -0.04 1.46 1.44 1t9bB1 LYS 478 HD2 -0.04 -0.01 -0.04 -0.04 1.69 1.55 1t9bB1 LYS 478 HD3 -0.03 -0.12 -0.04 -0.04 1.68 1.45 1t9bB1 LYS 478 HE2 -0.00 -0.02 -0.01 -0.04 2.99 2.91 1t9bB1 LYS 478 HE3 0.08 0.08 0.01 -0.04 2.99 3.12 1t9bB1 LYS 479 H -0.11 0.51 -0.17 -0.55 8.42 8.10 1t9bB1 LYS 479 HA -0.11 0.04 0.42 -0.75 4.32 3.93 1t9bB1 LYS 479 HB2 -0.07 0.08 0.13 -0.04 1.87 1.97 1t9bB1 LYS 479 HB3 -0.06 -0.05 -0.05 -0.04 1.79 1.59 1t9bB1 LYS 479 HG2 -0.06 -0.01 0.01 -0.04 1.46 1.35 1t9bB1 LYS 479 HG3 -0.07 0.08 0.04 -0.04 1.46 1.47 1t9bB1 LYS 479 HD2 -0.06 -0.03 -0.13 -0.04 1.69 1.44 1t9bB1 LYS 479 HD3 -0.05 -0.06 -0.09 -0.04 1.68 1.45 1t9bB1 LYS 479 HE2 -0.05 0.01 -0.03 -0.04 2.99 2.88 1t9bB1 LYS 479 HE3 -0.04 -0.07 -0.04 -0.04 2.99 2.80 1t9bB1 LEU 480 H -0.06 0.66 -0.08 -0.55 8.37 8.34 1t9bB1 LEU 480 HA -0.01 -0.01 0.39 -0.75 4.35 3.97 1t9bB1 LEU 480 HB2 0.09 -0.03 0.06 -0.04 1.64 1.71 1t9bB1 LEU 480 HB3 0.17 0.08 0.07 -0.04 1.64 1.92 1t9bB1 LEU 480 HG 0.46 0.04 -0.20 -0.04 1.64 1.90 1t9bB1 LEU 480 HD13 0.23 -0.02 -0.00 -0.04 0.93 1.10 1t9bB1 LEU 480 HD23 0.32 -0.02 -0.11 -0.04 0.89 1.04 1t9bB1 SER 481 H -0.41 0.66 -0.17 -0.55 8.46 7.99 1t9bB1 SER 481 HA -2.51 0.00 0.39 -0.75 4.49 1.62 1t9bB1 SER 481 HB2 -1.10 0.04 0.15 -0.04 3.95 3.01 1t9bB1 SER 481 HB3 -0.64 0.19 0.18 -0.04 3.93 3.62 1t9bB1 LYS 482 H -0.34 0.37 -0.29 -0.55 8.42 7.60 1t9bB1 LYS 482 HA -0.26 0.06 0.47 -0.75 4.32 3.83 1t9bB1 LYS 482 HB2 -0.19 0.02 0.10 -0.04 1.87 1.76 1t9bB1 LYS 482 HB3 -0.15 0.09 0.16 -0.04 1.79 1.84 1t9bB1 LYS 482 HG2 -0.10 0.00 -0.25 -0.04 1.46 1.07 1t9bB1 LYS 482 HG3 -0.12 -0.00 0.02 -0.04 1.46 1.31 1t9bB1 LYS 482 HD2 -0.10 0.00 -0.01 -0.04 1.69 1.54 1t9bB1 LYS 482 HD3 -0.08 -0.04 -0.02 -0.04 1.68 1.49 1t9bB1 LYS 482 HE2 -0.06 -0.04 -0.03 -0.04 2.99 2.82 1t9bB1 LYS 482 HE3 -0.06 -0.00 -0.05 -0.04 2.99 2.84 1t9bB1 VAL 483 H -0.14 0.50 -0.01 -0.55 8.24 8.03 1t9bB1 VAL 483 HA -0.06 0.02 0.37 -0.75 4.13 3.71 1t9bB1 VAL 483 HB -0.01 0.01 0.10 -0.04 2.12 2.18 1t9bB1 VAL 483 HG13 0.01 0.00 -0.22 -0.04 0.97 0.72 1t9bB1 VAL 483 HG23 -0.03 0.03 -0.02 -0.04 0.95 0.89 1t9bB1 ALA 484 H -0.09 0.72 -0.06 -0.55 8.40 8.43 1t9bB1 ALA 484 HA 0.03 0.05 0.40 -0.75 4.34 4.07 1t9bB1 ALA 484 HB3 0.16 -0.01 0.04 -0.04 1.41 1.57 1t9bB1 ASN 485 H -0.20 0.52 -0.10 -0.55 8.53 8.20 1t9bB1 ASN 485 HA -0.02 0.04 0.38 -0.75 4.76 4.40 1t9bB1 ASN 485 HB2 -0.22 0.00 0.16 -0.04 2.88 2.79 1t9bB1 ASN 485 HB3 -0.24 0.14 0.22 -0.04 2.79 2.87 1t9bB1 ASN 485 HD21 -0.08 -0.08 -0.13 -0.04 7.03 6.70 1t9bB1 ASN 485 HD22 -0.12 0.07 -0.18 -0.04 7.74 7.47 1t9bB1 ASP 486 H -0.08 0.41 -0.47 -0.55 8.40 7.71 1t9bB1 ASP 486 HA -0.04 0.02 0.49 -0.75 4.63 4.34 1t9bB1 ASP 486 HB2 -0.05 0.15 0.15 -0.04 2.71 2.91 1t9bB1 ASP 486 HB3 -0.04 -0.09 0.02 -0.04 2.70 2.55 1t9bB1 THR 487 H -0.02 0.46 -0.30 -0.55 8.28 7.88 1t9bB1 THR 487 HA -0.00 -0.00 0.42 -0.75 4.39 4.05 1t9bB1 THR 487 HB 0.01 -0.04 0.08 -0.04 4.32 4.33 1t9bB1 THR 487 HG23 -0.00 0.05 0.10 -0.04 1.22 1.32 1t9bB1 GLY 488 H 0.00 0.32 -0.34 -0.55 8.43 7.86 1t9bB1 GLY 488 HA2 0.01 0.00 0.28 -0.51 4.01 3.80 1t9bB1 GLY 488 HA3 0.01 0.08 0.61 -0.51 4.01 4.21 1t9bB1 ARG 489 H 0.03 0.01 -0.41 -0.55 8.46 7.53 1t9bB1 ARG 489 HA 0.06 0.10 0.53 -0.75 4.34 4.28 1t9bB1 ARG 489 HB2 0.04 -0.02 -0.06 -0.04 1.90 1.82 1t9bB1 ARG 489 HB3 0.06 0.08 0.09 -0.04 1.80 1.99 1t9bB1 ARG 489 HG2 0.03 -0.00 -0.04 -0.04 1.67 1.62 1t9bB1 ARG 489 HG3 0.02 -0.00 -0.13 -0.04 1.67 1.52 1t9bB1 ARG 489 HD2 0.01 -0.02 -0.01 -0.04 3.22 3.16 1t9bB1 ARG 489 HD3 0.02 -0.02 -0.01 -0.04 3.22 3.17 1t9bB1 HIS 490 H 0.16 0.17 0.13 -0.55 8.41 8.33 1t9bB1 HIS 490 HA 0.07 0.06 0.58 -0.75 4.63 4.58 1t9bB1 HIS 490 HB2 0.04 -0.01 0.08 -0.04 3.26 3.35 1t9bB1 HIS 490 HB3 0.05 -0.03 0.11 -0.04 3.20 3.28 1t9bB1 HIS 490 HD2 0.07 -0.06 0.01 -0.04 6.97 6.94 1t9bB1 HIS 490 HE1 0.08 0.12 -0.10 -0.04 7.75 7.80 1t9bB1 VAL 491 H -0.20 0.15 0.19 -0.55 8.24 7.82 1t9bB1 VAL 491 HA 0.01 0.30 1.00 -0.75 4.13 4.69 1t9bB1 VAL 491 HB 0.14 -0.07 0.07 -0.04 2.12 2.21 1t9bB1 VAL 491 HG13 0.24 -0.01 -0.15 -0.04 0.97 1.00 1t9bB1 VAL 491 HG23 0.09 0.04 -0.22 -0.04 0.95 0.81 1t9bB1 ILE 492 H 0.02 0.72 0.36 -0.55 8.25 8.80 1t9bB1 ILE 492 HA 0.04 0.22 1.01 -0.75 4.18 4.70 1t9bB1 ILE 492 HB 0.05 -0.05 -0.00 -0.04 1.89 1.85 1t9bB1 ILE 492 HG12 0.13 0.15 -0.04 -0.04 1.49 1.69 1t9bB1 ILE 492 HG13 0.08 -0.10 -0.46 -0.04 1.21 0.69 1t9bB1 ILE 492 HG23 0.05 -0.03 -0.26 -0.04 0.93 0.66 1t9bB1 ILE 492 HD13 0.16 0.01 -0.11 -0.04 0.88 0.90 1t9bB1 VAL 493 H 0.09 0.87 0.32 -0.55 8.24 8.97 1t9bB1 VAL 493 HA -0.04 0.33 1.23 -0.75 4.13 4.89 1t9bB1 VAL 493 HB 0.20 0.02 0.18 -0.04 2.12 2.48 1t9bB1 VAL 493 HG13 0.00 -0.05 -0.14 -0.04 0.97 0.75 1t9bB1 VAL 493 HG23 -0.97 -0.01 -0.14 -0.04 0.95 -0.20 1t9bB1 THR 494 H 0.02 0.64 0.43 -0.55 8.28 8.82 1t9bB1 THR 494 HA -0.05 0.45 0.98 -0.75 4.39 5.01 1t9bB1 THR 494 HB -0.09 -0.04 0.10 -0.04 4.32 4.25 1t9bB1 THR 494 HG23 -0.05 0.02 -0.32 -0.04 1.22 0.83 1t9bB1 THR 495 H 0.04 0.33 0.28 -0.55 8.28 8.39 1t9bB1 THR 495 HA 0.13 0.22 0.74 -0.75 4.39 4.73 1t9bB1 THR 495 HB 0.24 -0.12 0.17 -0.04 4.32 4.57 1t9bB1 THR 495 HG23 0.24 0.04 -0.28 -0.04 1.22 1.18 1t9bB1 GLY 496 H 0.51 0.25 0.18 -0.55 8.43 8.83 1t9bB1 GLY 496 HA2 0.14 0.01 0.84 -0.51 4.01 4.49 1t9bB1 GLY 496 HA3 0.26 -0.18 0.45 -0.51 4.01 4.02 1t9bB1 VAL 497 H 0.16 0.04 0.21 -0.55 8.24 8.10 1t9bB1 VAL 497 HA -0.11 0.30 0.96 -0.75 4.13 4.53 1t9bB1 VAL 497 HB -0.02 -0.11 -0.02 -0.04 2.12 1.93 1t9bB1 VAL 497 HG13 -0.08 0.07 -0.12 -0.04 0.97 0.80 1t9bB1 VAL 497 HG23 -0.08 0.03 -0.61 -0.04 0.95 0.26 1t9bB1 GLY 498 H -0.22 0.39 0.18 -0.55 8.43 8.23 1t9bB1 GLY 498 HA2 -0.12 0.15 0.33 -0.51 4.01 3.85 1t9bB1 GLY 498 HA3 -0.09 0.03 0.95 -0.51 4.01 4.39 1t9bB1 GLN 499 H -0.17 0.04 0.19 -0.55 8.47 7.98 1t9bB1 GLN 499 HA -0.67 0.20 0.43 -0.75 4.36 3.57 1t9bB1 GLN 499 HB2 -0.32 -0.07 0.12 -0.04 2.15 1.83 1t9bB1 GLN 499 HB3 -1.81 0.18 -0.00 -0.04 2.02 0.35 1t9bB1 GLN 499 HG2 -0.40 0.11 -0.03 -0.04 2.40 2.05 1t9bB1 GLN 499 HG3 -0.17 -0.30 -0.07 -0.04 2.39 1.81 1t9bB1 GLN 499 HE21 0.07 0.24 -0.06 -0.04 6.97 7.18 1t9bB1 GLN 499 HE22 -0.13 -0.11 0.00 -0.04 7.69 7.41 1t9bB1 HIS 500 H 0.05 0.01 -0.10 -0.55 8.41 7.81 1t9bB1 HIS 500 HA 0.43 0.14 0.32 -0.75 4.63 4.77 1t9bB1 HIS 500 HB2 0.14 0.17 -0.15 -0.04 3.26 3.38 1t9bB1 HIS 500 HB3 0.16 0.01 0.04 -0.04 3.20 3.37 1t9bB1 HIS 500 HD2 0.08 0.40 -0.40 -0.04 6.97 7.00 1t9bB1 HIS 500 HE1 0.01 0.04 -0.14 -0.04 7.75 7.62 1t9bB1 GLN 501 H -0.88 -0.06 -0.60 -0.55 8.47 6.38 1t9bB1 GLN 501 HA 0.01 0.16 0.36 -0.75 4.36 4.14 1t9bB1 GLN 501 HB2 -0.35 0.06 -0.08 -0.04 2.15 1.73 1t9bB1 GLN 501 HB3 -0.34 0.04 0.11 -0.04 2.02 1.78 1t9bB1 GLN 501 HG2 -0.03 0.04 -0.29 -0.04 2.40 2.08 1t9bB1 GLN 501 HG3 -0.02 0.05 -0.03 -0.04 2.39 2.35 1t9bB1 GLN 501 HE21 -0.13 0.32 0.02 -0.04 6.97 7.14 1t9bB1 GLN 501 HE22 -0.14 -0.06 -0.12 -0.04 7.69 7.33 1t9bB1 MET 502 H -0.28 0.25 -0.09 -0.55 8.47 7.80 1t9bB1 MET 502 HA -0.05 0.09 0.48 -0.75 4.52 4.28 1t9bB1 MET 502 HB2 -0.59 0.00 0.16 -0.04 2.15 1.68 1t9bB1 MET 502 HB3 -0.32 0.12 0.01 -0.04 2.03 1.79 1t9bB1 MET 502 HG2 -0.21 0.02 0.05 -0.04 2.63 2.45 1t9bB1 MET 502 HG3 -0.30 -0.00 -0.01 -0.04 2.56 2.20 1t9bB1 MET 502 HE3 -0.02 -0.00 -0.15 -0.04 2.10 1.89 1t9bB1 TRP 503 H -0.09 0.56 -0.08 -0.55 7.97 7.81 1t9bB1 TRP 503 HA -0.01 0.11 0.44 -0.75 4.62 4.40 1t9bB1 TRP 503 HB2 0.02 -0.01 0.04 -0.04 3.23 3.24 1t9bB1 TRP 503 HB3 0.02 -0.01 -0.08 -0.04 3.23 3.12 1t9bB1 TRP 503 HD1 -0.01 0.11 -0.02 -0.04 7.22 7.27 1t9bB1 TRP 503 HE1 -0.05 0.11 -0.01 -0.04 10.20 10.20 1t9bB1 TRP 503 HE3 0.01 -0.04 -0.27 -0.04 7.59 7.26 1t9bB1 TRP 503 HZ2 -0.02 0.18 -0.45 -0.04 7.44 7.12 1t9bB1 TRP 503 HZ3 0.02 -0.08 -0.08 -0.04 7.13 6.94 1t9bB1 TRP 503 HH2 0.01 0.09 -0.05 -0.04 7.19 7.20 1t9bB1 ALA 504 H 0.24 0.39 -0.34 -0.55 8.40 8.14 1t9bB1 ALA 504 HA 0.29 0.01 0.38 -0.75 4.34 4.26 1t9bB1 ALA 504 HB3 0.26 0.03 0.05 -0.04 1.41 1.71 1t9bB1 ALA 505 H 0.16 0.33 -0.24 -0.55 8.40 8.10 1t9bB1 ALA 505 HA 0.03 0.04 0.35 -0.75 4.34 4.01 1t9bB1 ALA 505 HB3 0.08 0.00 0.10 -0.04 1.41 1.56 1t9bB1 GLN 506 H -0.01 0.46 -0.11 -0.55 8.47 8.27 1t9bB1 GLN 506 HA -0.16 0.02 0.52 -0.75 4.36 3.99 1t9bB1 GLN 506 HB2 -0.54 -0.07 0.15 -0.04 2.15 1.65 1t9bB1 GLN 506 HB3 -1.83 -0.02 0.03 -0.04 2.02 0.16 1t9bB1 GLN 506 HG2 -0.34 0.02 0.04 -0.04 2.40 2.07 1t9bB1 GLN 506 HG3 -0.17 0.14 0.08 -0.04 2.39 2.40 1t9bB1 GLN 506 HE21 0.06 0.05 -0.22 -0.04 6.97 6.82 1t9bB1 GLN 506 HE22 0.06 0.59 0.01 -0.04 7.69 8.31 1t9bB1 HIS 507 H 0.03 0.51 -0.01 -0.55 8.41 8.39 1t9bB1 HIS 507 HA -0.02 0.18 0.72 -0.75 4.63 4.76 1t9bB1 HIS 507 HB2 -0.01 0.08 0.08 -0.04 3.26 3.37 1t9bB1 HIS 507 HB3 -0.07 -0.09 0.07 -0.04 3.20 3.06 1t9bB1 HIS 507 HD2 -0.02 -0.07 0.11 -0.04 6.97 6.94 1t9bB1 HIS 507 HE1 0.14 0.25 0.04 -0.04 7.75 8.13 1t9bB1 TRP 508 H 0.16 0.35 -0.25 -0.55 7.97 7.67 1t9bB1 TRP 508 HA -0.33 0.04 0.59 -0.75 4.62 4.16 1t9bB1 TRP 508 HB2 -0.35 -0.01 0.08 -0.04 3.23 2.91 1t9bB1 TRP 508 HB3 -1.28 0.04 -0.04 -0.04 3.23 1.92 1t9bB1 TRP 508 HD1 -2.09 -0.05 -0.58 -0.04 7.22 4.46 1t9bB1 TRP 508 HE1 -0.47 0.05 -0.04 -0.04 10.20 9.71 1t9bB1 TRP 508 HE3 -0.13 -0.05 -0.03 -0.04 7.59 7.34 1t9bB1 TRP 508 HZ2 -0.12 0.05 -0.07 -0.04 7.44 7.27 1t9bB1 TRP 508 HZ3 -0.01 -0.10 -0.17 -0.04 7.13 6.81 1t9bB1 TRP 508 HH2 -0.03 0.02 -0.14 -0.04 7.19 7.00 1t9bB1 THR 509 H -1.00 0.14 0.07 -0.55 8.28 6.94 1t9bB1 THR 509 HA -0.19 0.18 0.78 -0.75 4.39 4.40 1t9bB1 THR 509 HB -0.38 -0.01 0.14 -0.04 4.32 4.03 1t9bB1 THR 509 HG23 -0.09 -0.00 -0.18 -0.04 1.22 0.91 1t9bB1 TRP 510 H 0.03 0.23 0.08 -0.55 7.97 7.76 1t9bB1 TRP 510 HA 0.20 0.11 0.65 -0.75 4.62 4.83 1t9bB1 TRP 510 HB2 0.06 -0.02 0.14 -0.04 3.23 3.37 1t9bB1 TRP 510 HB3 0.05 -0.05 -0.04 -0.04 3.23 3.15 1t9bB1 TRP 510 HD1 0.01 0.01 0.07 -0.04 7.22 7.26 1t9bB1 TRP 510 HE1 -0.21 0.30 0.12 -0.04 10.20 10.37 1t9bB1 TRP 510 HE3 0.02 -0.02 -0.10 -0.04 7.59 7.45 1t9bB1 TRP 510 HZ2 -0.91 -0.01 -0.24 -0.04 7.44 6.24 1t9bB1 TRP 510 HZ3 -0.32 0.18 -0.19 -0.04 7.13 6.76 1t9bB1 TRP 510 HH2 -0.77 -0.03 -0.08 -0.04 7.19 6.27 1t9bB1 ARG 511 H 0.30 0.05 0.25 -0.55 8.46 8.51 1t9bB1 ARG 511 HA 0.10 0.04 0.81 -0.75 4.34 4.54 1t9bB1 ARG 511 HB2 0.07 0.09 -0.00 -0.04 1.90 2.02 1t9bB1 ARG 511 HB3 0.03 -0.02 0.05 -0.04 1.80 1.82 1t9bB1 ARG 511 HG2 0.03 -0.08 -0.29 -0.04 1.67 1.29 1t9bB1 ARG 511 HG3 0.02 0.14 -0.44 -0.04 1.67 1.35 1t9bB1 ARG 511 HD2 -0.04 0.01 -0.10 -0.04 3.22 3.05 1t9bB1 ARG 511 HD3 -0.01 0.08 -0.06 -0.04 3.22 3.19 1t9bB1 ASN 512 H 0.22 -0.05 0.21 -0.55 8.53 8.36 1t9bB1 ASN 512 HA 0.09 0.28 1.08 -0.75 4.76 5.46 1t9bB1 ASN 512 HB2 0.12 -0.00 0.08 -0.04 2.88 3.04 1t9bB1 ASN 512 HB3 0.16 0.14 0.04 -0.04 2.79 3.09 1t9bB1 ASN 512 HD21 0.07 -0.03 -0.11 -0.04 7.03 6.92 1t9bB1 ASN 512 HD22 0.08 0.11 -0.07 -0.04 7.74 7.83 1t9bB1 PRO 513 HA -0.11 -0.07 0.31 -0.51 4.44 4.05 1t9bB1 PRO 513 HB2 -0.48 0.08 -0.00 -0.04 2.28 1.83 1t9bB1 PRO 513 HB3 -0.12 -0.02 0.07 -0.04 2.02 1.91 1t9bB1 PRO 513 HG2 0.12 0.07 0.11 -0.04 2.03 2.29 1t9bB1 PRO 513 HG3 0.04 -0.00 0.11 -0.04 2.03 2.14 1t9bB1 PRO 513 HD2 0.09 0.04 0.26 -0.04 3.68 4.03 1t9bB1 PRO 513 HD3 0.04 0.17 0.21 -0.04 3.65 4.02 1t9bB1 HIS 514 H -0.23 0.07 0.15 -0.55 8.41 7.86 1t9bB1 HIS 514 HA 0.03 0.02 0.35 -0.75 4.63 4.27 1t9bB1 HIS 514 HB2 0.09 0.19 0.21 -0.04 3.26 3.70 1t9bB1 HIS 514 HB3 0.04 0.18 0.23 -0.04 3.20 3.61 1t9bB1 HIS 514 HD2 0.01 0.03 0.07 -0.04 6.97 7.03 1t9bB1 HIS 514 HE1 0.03 -0.08 -0.05 -0.04 7.75 7.60 1t9bB1 THR 515 H 0.08 0.07 -0.02 -0.55 8.28 7.86 1t9bB1 THR 515 HA 0.12 0.28 1.01 -0.75 4.39 5.05 1t9bB1 THR 515 HB 0.17 0.03 0.26 -0.04 4.32 4.74 1t9bB1 THR 515 HG23 0.02 0.02 -0.22 -0.04 1.22 1.00 1t9bB1 PHE 516 H 0.04 0.14 0.02 -0.55 8.34 7.98 1t9bB1 PHE 516 HA -0.19 0.26 0.97 -0.75 4.62 4.90 1t9bB1 PHE 516 HB2 -1.34 -0.02 -0.09 -0.04 3.15 1.65 1t9bB1 PHE 516 HB3 -0.57 0.06 0.14 -0.04 3.06 2.65 1t9bB1 PHE 516 HD2 -0.36 0.16 0.02 -0.04 7.28 7.05 1t9bB1 PHE 516 HE2 -0.10 -0.07 -0.13 -0.04 7.38 7.04 1t9bB1 PHE 516 HZ -0.04 -0.05 -0.10 -0.04 7.32 7.10 1t9bB1 ILE 517 H -0.13 0.89 0.19 -0.55 8.25 8.66 1t9bB1 ILE 517 HA -0.16 0.16 0.83 -0.75 4.18 4.26 1t9bB1 ILE 517 HB -0.04 -0.03 0.02 -0.04 1.89 1.79 1t9bB1 ILE 517 HG12 -0.00 0.08 -0.30 -0.04 1.49 1.22 1t9bB1 ILE 517 HG13 0.00 -0.06 -0.55 -0.04 1.21 0.56 1t9bB1 ILE 517 HG23 0.05 -0.02 -0.15 -0.04 0.93 0.76 1t9bB1 ILE 517 HD13 0.01 0.05 -0.19 -0.04 0.88 0.71 1t9bB1 THR 518 H -0.37 0.34 0.08 -0.55 8.28 7.78 1t9bB1 THR 518 HA -0.10 0.09 0.84 -0.75 4.39 4.47 1t9bB1 THR 518 HB -1.04 0.08 -0.32 -0.04 4.32 2.99 1t9bB1 THR 518 HG23 -0.56 0.01 -0.27 -0.04 1.22 0.36 1t9bB1 SER 519 H -0.30 0.18 0.04 -0.55 8.46 7.82 1t9bB1 SER 519 HA -0.50 0.18 0.67 -0.75 4.49 4.08 1t9bB1 SER 519 HB2 -1.08 0.13 0.04 -0.04 3.95 3.00 1t9bB1 SER 519 HB3 -0.34 0.02 0.10 -0.04 3.93 3.66 1t9bB1 GLY 520 H -0.21 0.24 0.17 -0.55 8.43 8.08 1t9bB1 GLY 520 HA2 -0.13 0.19 0.76 -0.51 4.01 4.33 1t9bB1 GLY 520 HA3 -0.12 0.07 0.23 -0.51 4.01 3.67 1t9bB1 GLY 521 H -0.11 0.13 0.08 -0.55 8.43 7.98 1t9bB1 GLY 521 HA2 -0.06 0.08 0.43 -0.51 4.01 3.94 1t9bB1 GLY 521 HA3 -0.06 0.15 0.25 -0.51 4.01 3.83 1t9bB1 LEU 522 H -0.09 0.02 -0.02 -0.55 8.37 7.73 1t9bB1 LEU 522 HA -0.05 0.21 0.58 -0.75 4.35 4.34 1t9bB1 LEU 522 HB2 -0.03 0.12 -0.01 -0.04 1.64 1.68 1t9bB1 LEU 522 HB3 -0.07 -0.13 -0.07 -0.04 1.64 1.34 1t9bB1 LEU 522 HG -0.04 -0.03 -0.18 -0.04 1.64 1.35 1t9bB1 LEU 522 HD13 -0.02 0.03 -0.04 -0.04 0.93 0.87 1t9bB1 LEU 522 HD23 0.00 -0.01 -0.24 -0.04 0.89 0.60 1t9bB1 GLY 523 H -0.13 -0.11 -0.49 -0.55 8.43 7.15 1t9bB1 GLY 523 HA2 -0.14 0.20 0.08 -0.51 4.01 3.64 1t9bB1 GLY 523 HA3 -0.10 0.10 0.22 -0.51 4.01 3.72 1t9bB1 THR 524 H -0.17 0.04 -0.12 -0.55 8.28 7.47 1t9bB1 THR 524 HA -0.05 0.19 0.55 -0.75 4.39 4.32 1t9bB1 THR 524 HB -0.15 -0.06 0.03 -0.04 4.32 4.11 1t9bB1 THR 524 HG23 0.06 0.04 -0.22 -0.04 1.22 1.07 1t9bB1 MET 525 H -0.03 0.26 0.20 -0.55 8.47 8.35 1t9bB1 MET 525 HA 0.01 -0.17 0.54 -0.75 4.52 4.15 1t9bB1 MET 525 HB2 -0.01 0.11 0.16 -0.04 2.15 2.37 1t9bB1 MET 525 HB3 0.01 -0.05 0.09 -0.04 2.03 2.04 1t9bB1 MET 525 HG2 0.03 -0.11 0.16 -0.04 2.63 2.66 1t9bB1 MET 525 HG3 -0.02 0.15 0.10 -0.04 2.56 2.75 1t9bB1 MET 525 HE3 0.03 -0.02 -0.15 -0.04 2.10 1.91 1t9bB1 GLY 526 H 0.02 -0.10 0.25 -0.55 8.43 8.06 1t9bB1 GLY 526 HA2 -0.03 0.12 0.34 -0.51 4.01 3.92 1t9bB1 GLY 526 HA3 -0.04 0.23 0.73 -0.51 4.01 4.42 1t9bB1 TYR 527 H 0.00 0.24 -0.09 -0.55 8.29 7.89 1t9bB1 TYR 527 HA -0.54 0.09 0.34 -0.75 4.56 3.70 1t9bB1 TYR 527 HB2 -0.32 0.13 0.09 -0.04 3.06 2.92 1t9bB1 TYR 527 HB3 -0.16 -0.00 0.16 -0.04 2.98 2.93 1t9bB1 TYR 527 HD2 -0.36 0.03 -0.05 -0.04 7.15 6.73 1t9bB1 TYR 527 HE2 -0.07 0.07 -0.29 -0.04 6.85 6.52 1t9bB1 GLY 528 H 0.05 -0.14 -0.14 -0.55 8.43 7.65 1t9bB1 GLY 528 HA2 -0.03 0.16 0.14 -0.51 4.01 3.77 1t9bB1 GLY 528 HA3 0.03 -0.14 -0.08 -0.51 4.01 3.31 1t9bB1 LEU 529 H 0.00 0.03 -0.28 -0.55 8.37 7.58 1t9bB1 LEU 529 HA 0.03 0.11 0.32 -0.75 4.35 4.06 1t9bB1 LEU 529 HB2 0.13 -0.08 -0.06 -0.04 1.64 1.59 1t9bB1 LEU 529 HB3 -0.03 0.04 -0.02 -0.04 1.64 1.59 1t9bB1 LEU 529 HG 0.01 0.04 -0.39 -0.04 1.64 1.26 1t9bB1 LEU 529 HD13 0.11 0.02 -0.12 -0.04 0.93 0.89 1t9bB1 LEU 529 HD23 -0.01 0.01 -0.23 -0.04 0.89 0.62 1t9bB1 PRO 530 HA -0.03 0.09 0.41 -0.51 4.44 4.40 1t9bB1 PRO 530 HB2 -0.01 0.05 -0.08 -0.04 2.28 2.20 1t9bB1 PRO 530 HB3 0.00 -0.07 0.11 -0.04 2.02 2.02 1t9bB1 PRO 530 HG2 -0.14 0.13 0.04 -0.04 2.03 2.02 1t9bB1 PRO 530 HG3 0.05 -0.01 0.03 -0.04 2.03 2.06 1t9bB1 PRO 530 HD2 -0.09 -0.01 -0.19 -0.04 3.68 3.35 1t9bB1 PRO 530 HD3 -0.05 0.04 0.06 -0.04 3.65 3.67 1t9bB1 ALA 531 H -0.33 0.54 -0.29 -0.55 8.40 7.77 1t9bB1 ALA 531 HA -0.30 0.13 0.38 -0.75 4.34 3.79 1t9bB1 ALA 531 HB3 -0.89 -0.00 -0.03 -0.04 1.41 0.45 1t9bB1 ALA 532 H -0.12 0.38 -0.33 -0.55 8.40 7.78 1t9bB1 ALA 532 HA -0.03 0.07 0.28 -0.75 4.34 3.90 1t9bB1 ALA 532 HB3 -0.00 0.02 -0.05 -0.04 1.41 1.33 1t9bB1 ILE 533 H -0.02 0.38 -0.21 -0.55 8.25 7.85 1t9bB1 ILE 533 HA 0.05 0.07 0.34 -0.75 4.18 3.90 1t9bB1 ILE 533 HB 0.02 0.04 0.12 -0.04 1.89 2.03 1t9bB1 ILE 533 HG12 0.05 0.04 -0.01 -0.04 1.49 1.53 1t9bB1 ILE 533 HG13 0.03 0.15 -0.00 -0.04 1.21 1.35 1t9bB1 ILE 533 HG23 0.11 0.00 -0.18 -0.04 0.93 0.81 1t9bB1 ILE 533 HD13 0.05 -0.05 -0.13 -0.04 0.88 0.70 1t9bB1 GLY 534 H -0.04 0.52 -0.13 -0.55 8.43 8.23 1t9bB1 GLY 534 HA2 0.21 0.00 0.34 -0.51 4.01 4.05 1t9bB1 GLY 534 HA3 -0.08 0.24 0.36 -0.51 4.01 4.02 1t9bB1 ALA 535 H -0.00 0.55 -0.28 -0.55 8.40 8.12 1t9bB1 ALA 535 HA 0.02 0.10 0.22 -0.75 4.34 3.93 1t9bB1 ALA 535 HB3 0.01 -0.00 -0.04 -0.04 1.41 1.34 1t9bB1 GLN 536 H 0.06 0.50 -0.33 -0.55 8.47 8.15 1t9bB1 GLN 536 HA 0.06 0.15 0.29 -0.75 4.36 4.10 1t9bB1 GLN 536 HB2 0.05 -0.05 -0.02 -0.04 2.15 2.09 1t9bB1 GLN 536 HB3 0.07 0.03 0.03 -0.04 2.02 2.11 1t9bB1 GLN 536 HG2 0.05 -0.20 -0.11 -0.04 2.40 2.09 1t9bB1 GLN 536 HG3 0.06 0.05 -0.19 -0.04 2.39 2.27 1t9bB1 GLN 536 HE21 0.05 0.39 0.00 -0.04 6.97 7.37 1t9bB1 GLN 536 HE22 0.05 -0.04 0.06 -0.04 7.69 7.71 1t9bB1 VAL 537 H 0.16 0.37 -0.29 -0.55 8.24 7.93 1t9bB1 VAL 537 HA 0.12 0.05 0.34 -0.75 4.13 3.89 1t9bB1 VAL 537 HB 0.39 0.10 0.08 -0.04 2.12 2.65 1t9bB1 VAL 537 HG13 0.13 -0.03 -0.17 -0.04 0.97 0.87 1t9bB1 VAL 537 HG23 0.16 0.03 -0.04 -0.04 0.95 1.06 1t9bB1 ALA 538 H 0.18 0.36 -0.33 -0.55 8.40 8.06 1t9bB1 ALA 538 HA 0.09 -0.02 0.43 -0.75 4.34 4.09 1t9bB1 ALA 538 HB3 -0.27 -0.00 0.07 -0.04 1.41 1.16 1t9bB1 LYS 539 H 0.05 0.44 -0.34 -0.55 8.42 8.02 1t9bB1 LYS 539 HA 0.01 0.11 0.84 -0.75 4.32 4.52 1t9bB1 LYS 539 HB2 0.06 0.07 0.12 -0.04 1.87 2.08 1t9bB1 LYS 539 HB3 0.04 -0.17 0.08 -0.04 1.79 1.70 1t9bB1 LYS 539 HG2 -0.03 -0.04 -0.41 -0.04 1.46 0.94 1t9bB1 LYS 539 HG3 0.04 0.01 -0.06 -0.04 1.46 1.41 1t9bB1 LYS 539 HD2 -0.10 -0.13 -0.00 -0.04 1.69 1.42 1t9bB1 LYS 539 HD3 -0.05 0.12 0.01 -0.04 1.68 1.72 1t9bB1 LYS 539 HE2 -0.09 0.06 -0.07 -0.04 2.99 2.85 1t9bB1 LYS 539 HE3 -0.07 0.08 0.03 -0.04 2.99 2.99 1t9bB1 PRO 540 HA 0.05 0.19 0.45 -0.51 4.44 4.62 1t9bB1 PRO 540 HB2 0.03 -0.09 0.03 -0.04 2.28 2.21 1t9bB1 PRO 540 HB3 0.04 0.00 0.11 -0.04 2.02 2.13 1t9bB1 PRO 540 HG2 0.04 -0.06 0.05 -0.04 2.03 2.02 1t9bB1 PRO 540 HG3 0.06 0.18 0.04 -0.04 2.03 2.27 1t9bB1 PRO 540 HD2 0.03 -0.04 0.12 -0.04 3.68 3.74 1t9bB1 PRO 540 HD3 0.04 0.35 -0.52 -0.04 3.65 3.48 1t9bB1 GLU 541 H 0.03 0.04 -0.27 -0.55 8.60 7.85 1t9bB1 GLU 541 HA 0.03 0.19 0.72 -0.75 4.29 4.47 1t9bB1 GLU 541 HB2 0.02 -0.02 0.02 -0.04 2.09 2.08 1t9bB1 GLU 541 HB3 0.03 -0.04 0.09 -0.04 1.99 2.03 1t9bB1 GLU 541 HG2 0.01 -0.05 0.01 -0.04 2.34 2.28 1t9bB1 GLU 541 HG3 0.02 0.03 -0.02 -0.04 2.34 2.33 1t9bB1 SER 542 H 0.07 0.31 -0.24 -0.55 8.46 8.06 1t9bB1 SER 542 HA 0.13 0.03 0.57 -0.75 4.49 4.47 1t9bB1 SER 542 HB2 0.13 0.13 -0.03 -0.04 3.95 4.14 1t9bB1 SER 542 HB3 0.20 0.01 -0.15 -0.04 3.93 3.95 1t9bB1 LEU 543 H 0.08 0.68 0.31 -0.55 8.37 8.89 1t9bB1 LEU 543 HA 0.01 0.18 0.66 -0.75 4.35 4.45 1t9bB1 LEU 543 HB2 0.02 0.04 0.07 -0.04 1.64 1.74 1t9bB1 LEU 543 HB3 0.04 -0.04 0.13 -0.04 1.64 1.74 1t9bB1 LEU 543 HG 0.02 -0.13 -0.21 -0.04 1.64 1.28 1t9bB1 LEU 543 HD13 -0.07 0.03 -0.01 -0.04 0.93 0.83 1t9bB1 LEU 543 HD23 0.03 -0.02 -0.01 -0.04 0.89 0.84 1t9bB1 VAL 544 H 0.01 0.32 0.08 -0.55 8.24 8.10 1t9bB1 VAL 544 HA 0.03 0.27 1.02 -0.75 4.13 4.69 1t9bB1 VAL 544 HB 0.02 -0.05 0.04 -0.04 2.12 2.10 1t9bB1 VAL 544 HG13 0.02 -0.00 -0.20 -0.04 0.97 0.75 1t9bB1 VAL 544 HG23 0.05 0.06 -0.30 -0.04 0.95 0.72 1t9bB1 ILE 545 H 0.01 0.80 0.39 -0.55 8.25 8.90 1t9bB1 ILE 545 HA 0.03 0.29 1.16 -0.75 4.18 4.90 1t9bB1 ILE 545 HB 0.01 -0.01 0.10 -0.04 1.89 1.95 1t9bB1 ILE 545 HG12 -0.05 0.05 -0.15 -0.04 1.49 1.31 1t9bB1 ILE 545 HG13 0.02 0.04 -0.38 -0.04 1.21 0.84 1t9bB1 ILE 545 HG23 0.21 -0.04 -0.25 -0.04 0.93 0.81 1t9bB1 ILE 545 HD13 0.22 -0.01 -0.10 -0.04 0.88 0.94 1t9bB1 ASP 546 H 0.09 0.74 0.31 -0.55 8.40 8.99 1t9bB1 ASP 546 HA 0.04 0.23 0.84 -0.75 4.63 4.99 1t9bB1 ASP 546 HB2 0.03 0.14 -0.16 -0.04 2.71 2.68 1t9bB1 ASP 546 HB3 0.06 0.01 0.07 -0.04 2.70 2.80 1t9bB1 ILE 547 H 0.08 0.79 0.26 -0.55 8.25 8.83 1t9bB1 ILE 547 HA 0.07 0.09 0.74 -0.75 4.18 4.32 1t9bB1 ILE 547 HB 0.18 0.04 0.19 -0.04 1.89 2.25 1t9bB1 ILE 547 HG12 0.14 -0.02 -0.09 -0.04 1.49 1.49 1t9bB1 ILE 547 HG13 0.05 0.12 -0.10 -0.04 1.21 1.24 1t9bB1 ILE 547 HG23 0.21 -0.05 -0.12 -0.04 0.93 0.93 1t9bB1 ILE 547 HD13 0.12 0.01 -0.05 -0.04 0.88 0.91 1t9bB1 ASP 548 H -0.08 0.99 0.32 -0.55 8.40 9.09 1t9bB1 ASP 548 HA -0.20 -0.07 0.92 -0.75 4.63 4.53 1t9bB1 ASP 548 HB2 -0.08 0.22 -0.11 -0.04 2.71 2.71 1t9bB1 ASP 548 HB3 -0.20 -0.00 -0.11 -0.04 2.70 2.35 1t9bB1 GLY 549 H -0.53 0.02 0.22 -0.55 8.43 7.59 1t9bB1 GLY 549 HA2 -0.33 0.34 0.90 -0.51 4.01 4.42 1t9bB1 GLY 549 HA3 -0.34 -0.06 0.41 -0.51 4.01 3.51 1t9bB1 ASP 550 H -0.02 0.23 0.23 -0.55 8.40 8.29 1t9bB1 ASP 550 HA -0.08 0.18 0.43 -0.75 4.63 4.42 1t9bB1 ASP 550 HB2 0.32 0.14 0.05 -0.04 2.71 3.17 1t9bB1 ASP 550 HB3 0.12 0.04 0.13 -0.04 2.70 2.95 1t9bB1 ALA 551 H 0.07 0.08 0.03 -0.55 8.40 8.04 1t9bB1 ALA 551 HA 0.10 0.20 0.43 -0.75 4.34 4.31 1t9bB1 ALA 551 HB3 0.05 0.02 0.04 -0.04 1.41 1.48 1t9bB1 SER 552 H 0.06 -0.03 -0.17 -0.55 8.46 7.76 1t9bB1 SER 552 HA 0.04 0.14 0.43 -0.75 4.49 4.34 1t9bB1 SER 552 HB2 0.04 -0.05 0.23 -0.04 3.95 4.12 1t9bB1 SER 552 HB3 0.07 -0.14 0.18 -0.04 3.93 4.00 1t9bB1 PHE 553 H 0.12 0.45 -0.23 -0.55 8.34 8.13 1t9bB1 PHE 553 HA -0.06 -0.01 0.33 -0.75 4.62 4.13 1t9bB1 PHE 553 HB2 -0.19 0.04 0.05 -0.04 3.15 3.00 1t9bB1 PHE 553 HB3 -0.17 0.10 0.08 -0.04 3.06 3.03 1t9bB1 PHE 553 HD2 -0.13 -0.03 -0.13 -0.04 7.28 6.95 1t9bB1 PHE 553 HE2 0.02 0.04 -0.10 -0.04 7.38 7.30 1t9bB1 PHE 553 HZ -0.00 0.10 -0.08 -0.04 7.32 7.30 1t9bB1 ASN 554 H 0.13 0.34 -0.29 -0.55 8.53 8.17 1t9bB1 ASN 554 HA -0.01 0.02 0.35 -0.75 4.76 4.37 1t9bB1 ASN 554 HB2 0.08 0.10 0.11 -0.04 2.88 3.13 1t9bB1 ASN 554 HB3 0.05 0.02 -0.04 -0.04 2.79 2.78 1t9bB1 ASN 554 HD21 0.33 -0.08 -0.06 -0.04 7.03 7.17 1t9bB1 ASN 554 HD22 0.22 0.05 -0.03 -0.04 7.74 7.94 1t9bB1 MET 555 H -0.03 0.26 -0.44 -0.55 8.47 7.72 1t9bB1 MET 555 HA -0.05 0.05 0.35 -0.75 4.52 4.12 1t9bB1 MET 555 HB2 -0.04 0.07 0.07 -0.04 2.15 2.20 1t9bB1 MET 555 HB3 -0.04 0.03 -0.03 -0.04 2.03 1.94 1t9bB1 MET 555 HG2 -0.01 0.03 0.02 -0.04 2.63 2.64 1t9bB1 MET 555 HG3 -0.01 -0.18 -0.12 -0.04 2.56 2.21 1t9bB1 MET 555 HE3 -0.01 -0.02 -0.02 -0.04 2.10 2.01 1t9bB1 THR 556 H -0.17 0.24 -0.16 -0.55 8.28 7.64 1t9bB1 THR 556 HA -0.13 0.22 1.00 -0.75 4.39 4.72 1t9bB1 THR 556 HB -0.07 -0.09 0.18 -0.04 4.32 4.30 1t9bB1 THR 556 HG23 -0.04 0.00 -0.18 -0.04 1.22 0.96 1t9bB1 LEU 557 H -0.31 0.36 -0.11 -0.55 8.37 7.76 1t9bB1 LEU 557 HA -0.60 0.03 0.30 -0.75 4.35 3.33 1t9bB1 LEU 557 HB2 -0.32 -0.02 0.02 -0.04 1.64 1.28 1t9bB1 LEU 557 HB3 -1.11 0.07 -0.00 -0.04 1.64 0.55 1t9bB1 LEU 557 HG -0.16 0.19 0.06 -0.04 1.64 1.69 1t9bB1 LEU 557 HD13 -0.03 -0.00 -0.19 -0.04 0.93 0.67 1t9bB1 LEU 557 HD23 0.10 -0.03 -0.08 -0.04 0.89 0.85 1t9bB1 THR 558 H -0.10 0.12 -0.52 -0.55 8.28 7.22 1t9bB1 THR 558 HA -0.01 0.12 0.39 -0.75 4.39 4.13 1t9bB1 THR 558 HB -0.02 0.03 0.05 -0.04 4.32 4.34 1t9bB1 THR 558 HG23 -0.01 -0.01 -0.14 -0.04 1.22 1.02 1t9bB1 GLU 559 H -0.06 0.57 -0.23 -0.55 8.60 8.34 1t9bB1 GLU 559 HA 0.03 0.00 0.47 -0.75 4.29 4.04 1t9bB1 GLU 559 HB2 -0.02 0.10 -0.00 -0.04 2.09 2.12 1t9bB1 GLU 559 HB3 0.03 0.04 0.09 -0.04 1.99 2.10 1t9bB1 GLU 559 HG2 -0.02 0.09 0.11 -0.04 2.34 2.48 1t9bB1 GLU 559 HG3 0.01 0.02 0.07 -0.04 2.34 2.40 1t9bB1 LEU 560 H 0.00 0.44 -0.57 -0.55 8.37 7.70 1t9bB1 LEU 560 HA 0.08 0.05 0.37 -0.75 4.35 4.09 1t9bB1 LEU 560 HB2 0.07 0.04 0.09 -0.04 1.64 1.79 1t9bB1 LEU 560 HB3 0.10 0.07 -0.08 -0.04 1.64 1.69 1t9bB1 LEU 560 HG 0.08 0.00 0.05 -0.04 1.64 1.73 1t9bB1 LEU 560 HD13 0.28 -0.02 -0.09 -0.04 0.93 1.06 1t9bB1 LEU 560 HD23 0.24 -0.01 -0.07 -0.04 0.89 1.01 1t9bB1 SER 561 H 0.05 0.24 -0.09 -0.55 8.46 8.11 1t9bB1 SER 561 HA 0.06 0.29 0.50 -0.75 4.49 4.58 1t9bB1 SER 561 HB2 0.05 0.02 0.07 -0.04 3.95 4.06 1t9bB1 SER 561 HB3 0.05 0.03 0.15 -0.04 3.93 4.12 1t9bB1 SER 562 H 0.06 0.04 -0.43 -0.55 8.46 7.58 1t9bB1 SER 562 HA 0.08 0.11 0.44 -0.75 4.49 4.37 1t9bB1 SER 562 HB2 0.07 0.17 0.13 -0.04 3.95 4.28 1t9bB1 SER 562 HB3 0.09 0.10 0.05 -0.04 3.93 4.13 1t9bB1 ALA 563 H 0.06 0.35 -0.23 -0.55 8.40 8.04 1t9bB1 ALA 563 HA 0.07 0.02 0.41 -0.75 4.34 4.08 1t9bB1 ALA 563 HB3 0.06 0.07 0.12 -0.04 1.41 1.62 1t9bB1 VAL 564 H 0.06 0.27 -0.21 -0.55 8.24 7.81 1t9bB1 VAL 564 HA 0.05 0.07 0.44 -0.75 4.13 3.94 1t9bB1 VAL 564 HB 0.05 0.07 0.21 -0.04 2.12 2.41 1t9bB1 VAL 564 HG13 0.04 -0.01 -0.04 -0.04 0.97 0.92 1t9bB1 VAL 564 HG23 0.05 0.06 0.00 -0.04 0.95 1.02 1t9bB1 GLN 565 H 0.06 0.52 -0.01 -0.55 8.47 8.50 1t9bB1 GLN 565 HA 0.05 0.01 0.44 -0.75 4.36 4.10 1t9bB1 GLN 565 HB2 0.06 -0.06 0.13 -0.04 2.15 2.24 1t9bB1 GLN 565 HB3 0.07 0.05 0.19 -0.04 2.02 2.29 1t9bB1 GLN 565 HG2 0.07 0.04 -0.12 -0.04 2.40 2.35 1t9bB1 GLN 565 HG3 0.05 -0.02 0.10 -0.04 2.39 2.48 1t9bB1 GLN 565 HE21 0.05 -0.07 0.01 -0.04 6.97 6.92 1t9bB1 GLN 565 HE22 0.05 0.01 0.03 -0.04 7.69 7.74 1t9bB1 ALA 566 H 0.06 0.52 -0.25 -0.55 8.40 8.19 1t9bB1 ALA 566 HA 0.06 0.05 0.58 -0.75 4.34 4.28 1t9bB1 ALA 566 HB3 0.08 -0.04 0.07 -0.04 1.41 1.48 1t9bB1 GLY 567 H 0.05 0.31 -0.44 -0.55 8.43 7.81 1t9bB1 GLY 567 HA2 0.04 0.00 0.31 -0.51 4.01 3.85 1t9bB1 GLY 567 HA3 0.04 0.01 0.44 -0.51 4.01 3.99 1t9bB1 THR 568 H 0.05 0.35 -0.06 -0.55 8.28 8.08 1t9bB1 THR 568 HA 0.05 0.31 0.80 -0.75 4.39 4.80 1t9bB1 THR 568 HB 0.06 -0.02 -0.04 -0.04 4.32 4.27 1t9bB1 THR 568 HG23 0.08 0.06 -0.20 -0.04 1.22 1.12 1t9bB1 PRO 569 HA 0.02 -0.03 0.28 -0.51 4.44 4.21 1t9bB1 PRO 569 HB2 -0.00 0.19 0.07 -0.04 2.28 2.50 1t9bB1 PRO 569 HB3 0.02 -0.06 0.09 -0.04 2.02 2.03 1t9bB1 PRO 569 HG2 0.02 0.03 0.05 -0.04 2.03 2.09 1t9bB1 PRO 569 HG3 0.02 0.05 0.12 -0.04 2.03 2.17 1t9bB1 PRO 569 HD2 0.03 0.11 0.20 -0.04 3.68 3.98 1t9bB1 PRO 569 HD3 0.03 0.28 0.15 -0.04 3.65 4.07 1t9bB1 VAL 570 H 0.03 0.39 -0.20 -0.55 8.24 7.92 1t9bB1 VAL 570 HA 0.00 0.20 0.42 -0.75 4.13 4.00 1t9bB1 VAL 570 HB 0.03 -0.08 -0.13 -0.04 2.12 1.90 1t9bB1 VAL 570 HG13 0.03 0.00 -0.27 -0.04 0.97 0.70 1t9bB1 VAL 570 HG23 0.05 -0.00 -0.05 -0.04 0.95 0.91 1t9bB1 LYS 571 H -0.03 0.72 0.36 -0.55 8.42 8.92 1t9bB1 LYS 571 HA -0.07 0.23 0.97 -0.75 4.32 4.70 1t9bB1 LYS 571 HB2 -0.24 -0.15 0.17 -0.04 1.87 1.61 1t9bB1 LYS 571 HB3 -1.29 -0.08 -0.06 -0.04 1.79 0.31 1t9bB1 LYS 571 HG2 -0.18 0.08 -0.00 -0.04 1.46 1.32 1t9bB1 LYS 571 HG3 -0.45 -0.05 -0.07 -0.04 1.46 0.85 1t9bB1 LYS 571 HD2 -0.41 -0.05 -0.06 -0.04 1.69 1.13 1t9bB1 LYS 571 HD3 -0.15 0.03 -0.40 -0.04 1.68 1.12 1t9bB1 LYS 571 HE2 -0.13 -0.12 0.00 -0.04 2.99 2.70 1t9bB1 LYS 571 HE3 -0.18 0.10 -0.01 -0.04 2.99 2.85 1t9bB1 ILE 572 H 0.21 0.82 0.33 -0.55 8.25 9.06 1t9bB1 ILE 572 HA 0.11 0.09 0.90 -0.75 4.18 4.52 1t9bB1 ILE 572 HB 0.01 -0.06 0.17 -0.04 1.89 1.97 1t9bB1 ILE 572 HG12 0.10 0.23 -0.14 -0.04 1.49 1.64 1t9bB1 ILE 572 HG13 0.14 -0.07 -0.11 -0.04 1.21 1.13 1t9bB1 ILE 572 HG23 -0.13 -0.05 -0.19 -0.04 0.93 0.51 1t9bB1 ILE 572 HD13 0.09 -0.01 -0.28 -0.04 0.88 0.65 1t9bB1 LEU 573 H 0.06 0.85 0.39 -0.55 8.37 9.13 1t9bB1 LEU 573 HA -0.29 0.26 1.01 -0.75 4.35 4.57 1t9bB1 LEU 573 HB2 0.04 0.09 -0.06 -0.04 1.64 1.67 1t9bB1 LEU 573 HB3 0.04 -0.02 0.19 -0.04 1.64 1.81 1t9bB1 LEU 573 HG -0.12 -0.11 -0.34 -0.04 1.64 1.03 1t9bB1 LEU 573 HD13 -0.35 0.04 -0.09 -0.04 0.93 0.49 1t9bB1 LEU 573 HD23 0.05 -0.02 -0.12 -0.04 0.89 0.76 1t9bB1 ILE 574 H -0.28 0.76 0.33 -0.55 8.25 8.50 1t9bB1 ILE 574 HA -0.30 0.20 0.95 -0.75 4.18 4.28 1t9bB1 ILE 574 HB -0.43 -0.02 0.15 -0.04 1.89 1.54 1t9bB1 ILE 574 HG12 -0.83 -0.02 -0.28 -0.04 1.49 0.32 1t9bB1 ILE 574 HG13 -0.67 0.10 -0.39 -0.04 1.21 0.21 1t9bB1 ILE 574 HG23 -0.51 -0.04 -0.34 -0.04 0.93 -0.01 1t9bB1 ILE 574 HD13 -1.74 -0.01 -0.13 -0.04 0.88 -1.04 1t9bB1 LEU 575 H -0.14 0.65 0.18 -0.55 8.37 8.51 1t9bB1 LEU 575 HA -0.05 0.22 0.71 -0.75 4.35 4.48 1t9bB1 LEU 575 HB2 0.07 -0.11 0.27 -0.04 1.64 1.83 1t9bB1 LEU 575 HB3 0.07 -0.01 0.09 -0.04 1.64 1.75 1t9bB1 LEU 575 HG 0.03 0.06 -0.06 -0.04 1.64 1.64 1t9bB1 LEU 575 HD13 0.18 -0.03 -0.03 -0.04 0.93 1.02 1t9bB1 LEU 575 HD23 -0.03 0.02 -0.11 -0.04 0.89 0.73 1t9bB1 ASN 576 H -0.03 0.68 0.19 -0.55 8.53 8.82 1t9bB1 ASN 576 HA 0.05 -0.18 0.77 -0.75 4.76 4.64 1t9bB1 ASN 576 HB2 0.07 0.00 0.03 -0.04 2.88 2.94 1t9bB1 ASN 576 HB3 0.07 0.12 0.17 -0.04 2.79 3.10 1t9bB1 ASN 576 HD21 0.14 0.06 0.01 -0.04 7.03 7.19 1t9bB1 ASN 576 HD22 0.18 0.03 0.00 -0.04 7.74 7.91 1t9bB1 ASN 577 H 0.08 0.02 0.36 -0.55 8.53 8.45 1t9bB1 ASN 577 HA 0.08 0.44 0.87 -0.75 4.76 5.39 1t9bB1 ASN 577 HB2 0.11 -0.02 0.20 -0.04 2.88 3.12 1t9bB1 ASN 577 HB3 0.12 0.17 0.01 -0.04 2.79 3.05 1t9bB1 ASN 577 HD21 0.16 -0.22 0.14 -0.04 7.03 7.07 1t9bB1 ASN 577 HD22 0.25 0.15 0.07 -0.04 7.74 8.17 1t9bB1 GLU 578 H 0.11 -0.05 -0.00 -0.55 8.60 8.11 1t9bB1 GLU 578 HA 0.12 -0.04 0.36 -0.75 4.29 3.97 1t9bB1 GLU 578 HB2 0.11 0.18 -0.03 -0.04 2.09 2.32 1t9bB1 GLU 578 HB3 0.11 0.05 0.21 -0.04 1.99 2.32 1t9bB1 GLU 578 HG2 0.09 -0.07 0.02 -0.04 2.34 2.35 1t9bB1 GLU 578 HG3 0.08 0.01 -0.22 -0.04 2.34 2.18 1t9bB1 GLU 579 H 0.07 -0.02 -0.02 -0.55 8.60 8.09 1t9bB1 GLU 579 HA -0.08 0.19 0.66 -0.75 4.29 4.30 1t9bB1 GLU 579 HB2 -0.32 0.03 0.07 -0.04 2.09 1.82 1t9bB1 GLU 579 HB3 0.04 0.31 -0.19 -0.04 1.99 2.12 1t9bB1 GLU 579 HG2 0.05 -0.05 -0.15 -0.04 2.34 2.15 1t9bB1 GLU 579 HG3 -0.01 -0.26 -0.35 -0.04 2.34 1.68 1t9bB1 GLN 580 H -0.20 0.76 0.24 -0.55 8.47 8.74 1t9bB1 GLN 580 HA 0.00 -0.02 0.77 -0.75 4.36 4.36 1t9bB1 GLN 580 HB2 -0.07 0.10 0.33 -0.04 2.15 2.47 1t9bB1 GLN 580 HB3 -0.02 -0.04 0.21 -0.04 2.02 2.13 1t9bB1 GLN 580 HG2 0.00 -0.06 0.04 -0.04 2.40 2.34 1t9bB1 GLN 580 HG3 -0.03 -0.02 -0.05 -0.04 2.39 2.25 1t9bB1 GLN 580 HE21 0.00 0.16 0.05 -0.04 6.97 7.14 1t9bB1 GLN 580 HE22 -0.01 -0.11 0.07 -0.04 7.69 7.59 1t9bB1 GLY 581 H 0.03 0.30 -0.05 -0.55 8.43 8.16 1t9bB1 GLY 581 HA2 0.01 0.14 0.31 -0.51 4.01 3.96 1t9bB1 GLY 581 HA3 0.03 0.04 0.37 -0.51 4.01 3.94 1t9bB1 MET 582 H -0.01 0.02 0.04 -0.55 8.47 7.97 1t9bB1 MET 582 HA 0.06 0.15 0.45 -0.75 4.52 4.42 1t9bB1 MET 582 HB2 -0.07 0.00 0.18 -0.04 2.15 2.22 1t9bB1 MET 582 HB3 -0.03 0.00 0.05 -0.04 2.03 2.00 1t9bB1 MET 582 HG2 -0.04 0.06 -0.02 -0.04 2.63 2.58 1t9bB1 MET 582 HG3 0.04 0.00 -0.02 -0.04 2.56 2.55 1t9bB1 MET 582 HE3 0.46 0.02 0.06 -0.04 2.10 2.60 1t9bB1 VAL 583 H 0.02 0.11 -0.23 -0.55 8.24 7.60 1t9bB1 VAL 583 HA 0.09 0.14 0.56 -0.75 4.13 4.17 1t9bB1 VAL 583 HB 0.01 0.08 0.15 -0.04 2.12 2.31 1t9bB1 VAL 583 HG13 0.03 0.03 -0.03 -0.04 0.97 0.95 1t9bB1 VAL 583 HG23 -0.04 -0.02 0.03 -0.04 0.95 0.88 1t9bB1 THR 584 H 0.05 0.46 0.05 -0.55 8.28 8.29 1t9bB1 THR 584 HA 0.29 0.07 0.39 -0.75 4.39 4.39 1t9bB1 THR 584 HB -0.13 0.05 -0.01 -0.04 4.32 4.19 1t9bB1 THR 584 HG23 -0.26 0.03 -0.03 -0.04 1.22 0.92 1t9bB1 GLN 585 H 0.16 0.48 -0.30 -0.55 8.47 8.26 1t9bB1 GLN 585 HA 0.13 0.06 0.33 -0.75 4.36 4.12 1t9bB1 GLN 585 HB2 0.10 -0.01 0.06 -0.04 2.15 2.25 1t9bB1 GLN 585 HB3 0.25 0.11 0.13 -0.04 2.02 2.48 1t9bB1 GLN 585 HG2 0.01 0.04 -0.24 -0.04 2.40 2.16 1t9bB1 GLN 585 HG3 0.04 0.00 0.00 -0.04 2.39 2.39 1t9bB1 GLN 585 HE21 0.09 0.36 0.09 -0.04 6.97 7.47 1t9bB1 GLN 585 HE22 0.03 0.01 -0.04 -0.04 7.69 7.65 1t9bB1 TRP 586 H 0.52 0.34 -0.22 -0.55 7.97 8.06 1t9bB1 TRP 586 HA 0.23 0.06 0.49 -0.75 4.62 4.64 1t9bB1 TRP 586 HB2 0.15 0.08 0.19 -0.04 3.23 3.61 1t9bB1 TRP 586 HB3 0.30 -0.01 0.02 -0.04 3.23 3.49 1t9bB1 TRP 586 HD1 0.10 0.15 0.10 -0.04 7.22 7.54 1t9bB1 TRP 586 HE1 0.13 -0.01 -0.01 -0.04 10.20 10.27 1t9bB1 TRP 586 HE3 0.04 0.00 0.01 -0.04 7.59 7.60 1t9bB1 TRP 586 HZ2 0.04 0.03 0.00 -0.04 7.44 7.47 1t9bB1 TRP 586 HZ3 -0.40 0.01 0.01 -0.04 7.13 6.71 1t9bB1 TRP 586 HH2 -0.07 -0.04 0.04 -0.04 7.19 7.08 1t9bB1 GLN 587 H 0.33 0.41 -0.28 -0.55 8.47 8.39 1t9bB1 GLN 587 HA 0.44 0.05 0.47 -0.75 4.36 4.56 1t9bB1 GLN 587 HB2 0.29 -0.01 0.10 -0.04 2.15 2.49 1t9bB1 GLN 587 HB3 -0.03 0.07 -0.18 -0.04 2.02 1.83 1t9bB1 GLN 587 HG2 -0.00 0.04 0.07 -0.04 2.40 2.47 1t9bB1 GLN 587 HG3 0.16 0.02 0.01 -0.04 2.39 2.54 1t9bB1 GLN 587 HE21 0.03 0.08 0.03 -0.04 6.97 7.07 1t9bB1 GLN 587 HE22 -0.07 0.06 0.06 -0.04 7.69 7.70 1t9bB1 SER 588 H 0.15 0.58 -0.21 -0.55 8.46 8.43 1t9bB1 SER 588 HA -0.48 -0.07 0.37 -0.75 4.49 3.56 1t9bB1 SER 588 HB2 -0.00 0.11 0.13 -0.04 3.95 4.14 1t9bB1 SER 588 HB3 -0.13 -0.00 -0.02 -0.04 3.93 3.74 1t9bB1 LEU 589 H -0.16 0.42 -0.18 -0.55 8.37 7.91 1t9bB1 LEU 589 HA -0.36 0.10 0.52 -0.75 4.35 3.85 1t9bB1 LEU 589 HB2 -0.41 -0.00 0.07 -0.04 1.64 1.26 1t9bB1 LEU 589 HB3 -0.65 0.01 0.14 -0.04 1.64 1.10 1t9bB1 LEU 589 HG -2.00 0.01 -0.25 -0.04 1.64 -0.64 1t9bB1 LEU 589 HD13 -0.44 -0.00 0.02 -0.04 0.93 0.47 1t9bB1 LEU 589 HD23 -0.75 -0.01 -0.06 -0.04 0.89 0.03 1t9bB1 PHE 590 H -0.04 0.62 0.00 -0.55 8.34 8.37 1t9bB1 PHE 590 HA -0.24 0.24 1.04 -0.75 4.62 4.90 1t9bB1 PHE 590 HB2 -0.19 0.09 0.08 -0.04 3.15 3.09 1t9bB1 PHE 590 HB3 -0.48 -0.03 0.11 -0.04 3.06 2.61 1t9bB1 PHE 590 HD2 -0.20 0.05 0.05 -0.04 7.28 7.14 1t9bB1 PHE 590 HE2 -1.03 -0.02 -0.04 -0.04 7.38 6.25 1t9bB1 PHE 590 HZ -0.45 -0.05 -0.11 -0.04 7.32 6.67 1t9bB1 TYR 591 H 0.07 0.36 -0.09 -0.55 8.29 8.08 1t9bB1 TYR 591 HA 0.03 0.23 0.96 -0.75 4.56 5.03 1t9bB1 TYR 591 HB2 0.00 -0.00 0.22 -0.04 3.06 3.24 1t9bB1 TYR 591 HB3 0.00 -0.02 0.23 -0.04 2.98 3.15 1t9bB1 TYR 591 HD2 0.12 0.01 -0.04 -0.04 7.15 7.19 1t9bB1 TYR 591 HE2 0.14 -0.03 -0.05 -0.04 6.85 6.87 1t9bB1 GLU 592 H -0.07 0.17 -0.32 -0.55 8.60 7.84 1t9bB1 GLU 592 HA -0.00 0.10 0.28 -0.75 4.29 3.91 1t9bB1 GLU 592 HB2 0.04 0.05 -0.09 -0.04 2.09 2.05 1t9bB1 GLU 592 HB3 0.07 -0.00 0.13 -0.04 1.99 2.15 1t9bB1 GLU 592 HG2 0.00 0.04 -0.00 -0.04 2.34 2.34 1t9bB1 GLU 592 HG3 -0.00 -0.02 -0.15 -0.04 2.34 2.12 1t9bB1 HIS 593 H -0.33 0.29 -0.14 -0.55 8.41 7.69 1t9bB1 HIS 593 HA -0.40 -0.08 0.02 -0.75 4.63 3.41 1t9bB1 HIS 593 HB2 -0.06 0.20 -0.04 -0.04 3.26 3.32 1t9bB1 HIS 593 HB3 -0.06 -0.09 0.16 -0.04 3.20 3.18 1t9bB1 HIS 593 HD2 0.17 -0.05 0.01 -0.04 6.97 7.05 1t9bB1 HIS 593 HE1 -0.02 -0.02 -0.04 -0.04 7.75 7.63 1t9bB1 ARG 594 H -0.14 0.50 -0.31 -0.55 8.46 7.96 1t9bB1 ARG 594 HA -0.13 0.12 0.73 -0.75 4.34 4.30 1t9bB1 ARG 594 HB2 0.00 0.05 0.19 -0.04 1.90 2.10 1t9bB1 ARG 594 HB3 -0.03 -0.11 -0.00 -0.04 1.80 1.62 1t9bB1 ARG 594 HG2 -0.00 0.02 -0.05 -0.04 1.67 1.59 1t9bB1 ARG 594 HG3 0.02 0.23 -0.07 -0.04 1.67 1.80 1t9bB1 ARG 594 HD2 0.02 -0.08 -0.01 -0.04 3.22 3.10 1t9bB1 ARG 594 HD3 0.03 -0.01 -0.02 -0.04 3.22 3.18 1t9bB1 TYR 595 H -0.09 0.29 0.02 -0.55 8.29 7.95 1t9bB1 TYR 595 HA 0.04 0.09 0.64 -0.75 4.56 4.57 1t9bB1 TYR 595 HB2 0.11 0.04 0.14 -0.04 3.06 3.31 1t9bB1 TYR 595 HB3 0.13 -0.12 -0.04 -0.04 2.98 2.91 1t9bB1 TYR 595 HD2 0.10 -0.03 -0.05 -0.04 7.15 7.13 1t9bB1 TYR 595 HE2 0.13 0.10 -0.02 -0.04 6.85 7.01 1t9bB1 SER 596 H 0.01 0.33 0.06 -0.55 8.46 8.31 1t9bB1 SER 596 HA -0.19 0.12 0.70 -0.75 4.49 4.36 1t9bB1 SER 596 HB2 -0.07 0.06 -0.01 -0.04 3.95 3.89 1t9bB1 SER 596 HB3 -0.05 0.01 0.15 -0.04 3.93 3.99 1t9bB1 HIS 597 H -0.27 0.27 0.17 -0.55 8.41 8.03 1t9bB1 HIS 597 HA 0.09 0.03 0.31 -0.75 4.63 4.31 1t9bB1 HIS 597 HB2 0.02 0.15 -0.08 -0.04 3.26 3.32 1t9bB1 HIS 597 HB3 0.03 -0.01 0.16 -0.04 3.20 3.33 1t9bB1 HIS 597 HD2 0.01 0.04 -0.14 -0.04 6.97 6.84 1t9bB1 HIS 597 HE1 0.04 0.03 0.02 -0.04 7.75 7.79 1t9bB1 THR 598 H 0.12 0.16 -0.37 -0.55 8.28 7.64 1t9bB1 THR 598 HA -0.01 0.24 0.88 -0.75 4.39 4.75 1t9bB1 THR 598 HB -0.18 -0.17 0.17 -0.04 4.32 4.10 1t9bB1 THR 598 HG23 0.02 0.08 -0.17 -0.04 1.22 1.11 1t9bB1 HIS 599 H 0.15 0.19 -0.28 -0.55 8.41 7.92 1t9bB1 HIS 599 HA 0.03 0.06 0.92 -0.75 4.63 4.89 1t9bB1 HIS 599 HB2 0.09 -0.01 0.13 -0.04 3.26 3.42 1t9bB1 HIS 599 HB3 0.08 0.14 0.04 -0.04 3.20 3.41 1t9bB1 HIS 599 HD2 -0.03 0.30 0.17 -0.04 6.97 7.35 1t9bB1 HIS 599 HE1 -0.74 -0.00 -0.08 -0.04 7.75 6.89 1t9bB1 GLN 600 H 0.07 0.03 -0.08 -0.55 8.47 7.94 1t9bB1 GLN 600 HA 0.08 0.17 0.63 -0.75 4.36 4.48 1t9bB1 GLN 600 HB2 0.06 0.09 -0.02 -0.04 2.15 2.24 1t9bB1 GLN 600 HB3 0.05 -0.03 -0.06 -0.04 2.02 1.95 1t9bB1 GLN 600 HG2 0.08 0.07 -0.53 -0.04 2.40 1.97 1t9bB1 GLN 600 HG3 0.08 0.03 -0.15 -0.04 2.39 2.31 1t9bB1 GLN 600 HE21 0.10 -0.17 -0.16 -0.04 6.97 6.70 1t9bB1 GLN 600 HE22 0.15 0.09 -0.28 -0.04 7.69 7.60 1t9bB1 LEU 601 H 0.05 0.16 0.10 -0.55 8.37 8.14 1t9bB1 LEU 601 HA 0.04 0.09 0.60 -0.75 4.35 4.33 1t9bB1 LEU 601 HB2 0.04 0.03 0.08 -0.04 1.64 1.74 1t9bB1 LEU 601 HB3 0.02 -0.03 0.16 -0.04 1.64 1.75 1t9bB1 LEU 601 HG -0.01 0.08 -0.29 -0.04 1.64 1.38 1t9bB1 LEU 601 HD13 0.01 -0.01 0.01 -0.04 0.93 0.90 1t9bB1 LEU 601 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.83 1t9bB1 ASN 602 H -0.00 0.13 0.16 -0.55 8.53 8.27 1t9bB1 ASN 602 HA -0.03 0.11 0.49 -0.75 4.76 4.57 1t9bB1 ASN 602 HB2 -0.13 -0.02 0.10 -0.04 2.88 2.79 1t9bB1 ASN 602 HB3 -0.56 0.12 0.05 -0.04 2.79 2.36 1t9bB1 ASN 602 HD21 0.20 -0.22 0.02 -0.04 7.03 6.98 1t9bB1 ASN 602 HD22 0.14 0.04 0.05 -0.04 7.74 7.93 1t9bB1 PRO 603 HA -0.12 0.15 0.51 -0.51 4.44 4.48 1t9bB1 PRO 603 HB2 -0.05 0.02 -0.01 -0.04 2.28 2.20 1t9bB1 PRO 603 HB3 -0.04 0.08 0.04 -0.04 2.02 2.06 1t9bB1 PRO 603 HG2 -0.21 -0.05 -0.23 -0.04 2.03 1.49 1t9bB1 PRO 603 HG3 0.07 0.07 -0.04 -0.04 2.03 2.10 1t9bB1 PRO 603 HD2 -0.17 0.00 0.16 -0.04 3.68 3.64 1t9bB1 PRO 603 HD3 -0.02 0.22 0.13 -0.04 3.65 3.95 1t9bB1 ASP 604 H -0.10 0.19 0.08 -0.55 8.40 8.02 1t9bB1 ASP 604 HA -0.17 0.12 0.57 -0.75 4.63 4.40 1t9bB1 ASP 604 HB2 -0.05 0.12 0.11 -0.04 2.71 2.85 1t9bB1 ASP 604 HB3 -0.02 -0.01 0.20 -0.04 2.70 2.83 1t9bB1 PHE 605 H -0.23 0.27 0.14 -0.55 8.34 7.96 1t9bB1 PHE 605 HA 0.08 0.10 0.28 -0.75 4.62 4.32 1t9bB1 PHE 605 HB2 -0.03 -0.02 0.06 -0.04 3.15 3.12 1t9bB1 PHE 605 HB3 -0.06 0.06 -0.05 -0.04 3.06 2.96 1t9bB1 PHE 605 HD2 0.09 -0.00 -0.04 -0.04 7.28 7.29 1t9bB1 PHE 605 HE2 0.14 -0.04 -0.02 -0.04 7.38 7.42 1t9bB1 PHE 605 HZ 0.10 -0.04 0.01 -0.04 7.32 7.35 1t9bB1 ILE 606 H 0.10 0.08 -0.19 -0.55 8.25 7.69 1t9bB1 ILE 606 HA 0.08 0.15 0.45 -0.75 4.18 4.11 1t9bB1 ILE 606 HB 0.04 -0.06 0.01 -0.04 1.89 1.84 1t9bB1 ILE 606 HG12 0.03 0.02 -0.26 -0.04 1.49 1.24 1t9bB1 ILE 606 HG13 0.03 0.02 -0.32 -0.04 1.21 0.90 1t9bB1 ILE 606 HG23 0.03 0.04 -0.23 -0.04 0.93 0.72 1t9bB1 ILE 606 HD13 0.06 0.02 -0.17 -0.04 0.88 0.76 1t9bB1 LYS 607 H 0.04 0.04 -0.20 -0.55 8.42 7.75 1t9bB1 LYS 607 HA 0.04 0.13 0.44 -0.75 4.32 4.17 1t9bB1 LYS 607 HB2 0.02 0.00 0.08 -0.04 1.87 1.93 1t9bB1 LYS 607 HB3 0.03 0.06 0.02 -0.04 1.79 1.85 1t9bB1 LYS 607 HG2 0.02 0.07 0.00 -0.04 1.46 1.51 1t9bB1 LYS 607 HG3 0.02 -0.10 0.00 -0.04 1.46 1.34 1t9bB1 LYS 607 HD2 0.00 -0.04 0.02 -0.04 1.69 1.63 1t9bB1 LYS 607 HD3 0.01 0.05 0.01 -0.04 1.68 1.70 1t9bB1 LYS 607 HE2 0.01 0.04 -0.01 -0.04 2.99 2.99 1t9bB1 LYS 607 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.91 1t9bB1 LEU 608 H 0.09 0.34 -0.33 -0.55 8.37 7.92 1t9bB1 LEU 608 HA 0.08 0.05 0.36 -0.75 4.35 4.08 1t9bB1 LEU 608 HB2 0.13 -0.03 -0.03 -0.04 1.64 1.67 1t9bB1 LEU 608 HB3 0.23 0.05 0.09 -0.04 1.64 1.98 1t9bB1 LEU 608 HG 0.19 0.06 -0.36 -0.04 1.64 1.49 1t9bB1 LEU 608 HD13 0.09 -0.01 -0.06 -0.04 0.93 0.91 1t9bB1 LEU 608 HD23 0.38 -0.02 -0.11 -0.04 0.89 1.11 1t9bB1 ALA 609 H 0.13 0.49 -0.18 -0.55 8.40 8.30 1t9bB1 ALA 609 HA 0.12 0.01 0.27 -0.75 4.34 3.98 1t9bB1 ALA 609 HB3 0.09 0.03 -0.04 -0.04 1.41 1.45 1t9bB1 GLU 610 H 0.07 0.38 -0.23 -0.55 8.60 8.27 1t9bB1 GLU 610 HA 0.05 0.32 0.46 -0.75 4.29 4.36 1t9bB1 GLU 610 HB2 0.04 0.00 0.12 -0.04 2.09 2.21 1t9bB1 GLU 610 HB3 0.04 0.00 0.03 -0.04 1.99 2.02 1t9bB1 GLU 610 HG2 0.05 0.19 0.13 -0.04 2.34 2.67 1t9bB1 GLU 610 HG3 0.04 0.00 0.02 -0.04 2.34 2.35 1t9bB1 ALA 611 H 0.06 0.50 -0.20 -0.55 8.40 8.21 1t9bB1 ALA 611 HA 0.04 0.01 0.41 -0.75 4.34 4.04 1t9bB1 ALA 611 HB3 0.04 -0.01 0.11 -0.04 1.41 1.52 1t9bB1 MET 612 H 0.07 0.40 -0.39 -0.55 8.47 8.00 1t9bB1 MET 612 HA 0.05 0.03 0.55 -0.75 4.52 4.40 1t9bB1 MET 612 HB2 0.09 0.12 0.03 -0.04 2.15 2.34 1t9bB1 MET 612 HB3 0.07 -0.10 -0.07 -0.04 2.03 1.88 1t9bB1 MET 612 HG2 0.07 0.05 -0.05 -0.04 2.63 2.66 1t9bB1 MET 612 HG3 0.09 -0.08 -0.08 -0.04 2.56 2.45 1t9bB1 MET 612 HE3 0.04 -0.00 -0.03 -0.04 2.10 2.06 1t9bB1 GLY 613 H 0.05 0.37 -0.49 -0.55 8.43 7.82 1t9bB1 GLY 613 HA2 0.04 0.01 0.28 -0.51 4.01 3.83 1t9bB1 GLY 613 HA3 0.04 0.08 0.62 -0.51 4.01 4.24 1t9bB1 LEU 614 H 0.06 0.57 0.02 -0.55 8.37 8.47 1t9bB1 LEU 614 HA 0.05 0.27 0.87 -0.75 4.35 4.79 1t9bB1 LEU 614 HB2 0.08 -0.12 -0.18 -0.04 1.64 1.37 1t9bB1 LEU 614 HB3 0.07 0.06 -0.16 -0.04 1.64 1.57 1t9bB1 LEU 614 HG 0.06 0.11 -0.19 -0.04 1.64 1.58 1t9bB1 LEU 614 HD13 0.08 0.00 -0.31 -0.04 0.93 0.66 1t9bB1 LEU 614 HD23 0.09 -0.04 -0.23 -0.04 0.89 0.67 1t9bB1 LYS 615 H 0.05 0.48 0.19 -0.55 8.42 8.59 1t9bB1 LYS 615 HA 0.05 0.03 0.54 -0.75 4.32 4.18 1t9bB1 LYS 615 HB2 0.04 0.03 0.09 -0.04 1.87 1.99 1t9bB1 LYS 615 HB3 0.06 0.09 0.15 -0.04 1.79 2.05 1t9bB1 LYS 615 HG2 0.06 -0.02 -0.26 -0.04 1.46 1.19 1t9bB1 LYS 615 HG3 0.04 -0.04 0.02 -0.04 1.46 1.44 1t9bB1 LYS 615 HD2 0.04 -0.00 -0.03 -0.04 1.69 1.66 1t9bB1 LYS 615 HD3 0.06 0.07 -0.09 -0.04 1.68 1.68 1t9bB1 LYS 615 HE2 0.05 -0.04 -0.12 -0.04 2.99 2.85 1t9bB1 LYS 615 HE3 0.04 -0.04 -0.04 -0.04 2.99 2.91 1t9bB1 GLY 616 H 0.05 0.17 0.21 -0.55 8.43 8.31 1t9bB1 GLY 616 HA2 0.05 0.23 1.05 -0.51 4.01 4.83 1t9bB1 GLY 616 HA3 0.05 -0.04 0.36 -0.51 4.01 3.87 1t9bB1 LEU 617 H 0.01 0.61 0.38 -0.55 8.37 8.83 1t9bB1 LEU 617 HA 0.01 0.13 0.91 -0.75 4.35 4.65 1t9bB1 LEU 617 HB2 -0.01 0.01 0.07 -0.04 1.64 1.67 1t9bB1 LEU 617 HB3 -0.00 -0.03 0.01 -0.04 1.64 1.58 1t9bB1 LEU 617 HG 0.07 -0.02 -0.48 -0.04 1.64 1.17 1t9bB1 LEU 617 HD13 0.11 0.02 -0.18 -0.04 0.93 0.84 1t9bB1 LEU 617 HD23 0.03 0.03 -0.01 -0.04 0.89 0.91 1t9bB1 ARG 618 H -0.00 0.29 0.22 -0.55 8.46 8.41 1t9bB1 ARG 618 HA -0.03 0.27 1.03 -0.75 4.34 4.85 1t9bB1 ARG 618 HB2 0.01 -0.07 -0.09 -0.04 1.90 1.72 1t9bB1 ARG 618 HB3 0.00 0.01 0.04 -0.04 1.80 1.81 1t9bB1 ARG 618 HG2 -0.00 -0.01 -0.25 -0.04 1.67 1.37 1t9bB1 ARG 618 HG3 0.01 0.02 0.04 -0.04 1.67 1.70 1t9bB1 ARG 618 HD2 0.01 0.01 -0.07 -0.04 3.22 3.14 1t9bB1 ARG 618 HD3 0.01 0.02 -0.08 -0.04 3.22 3.13 1t9bB1 VAL 619 H -0.04 0.62 0.36 -0.55 8.24 8.64 1t9bB1 VAL 619 HA -0.02 0.13 0.90 -0.75 4.13 4.39 1t9bB1 VAL 619 HB -0.05 -0.03 0.03 -0.04 2.12 2.03 1t9bB1 VAL 619 HG13 -0.03 -0.01 -0.18 -0.04 0.97 0.71 1t9bB1 VAL 619 HG23 -0.06 0.05 -0.26 -0.04 0.95 0.63 1t9bB1 LYS 620 H -0.01 -0.02 0.20 -0.55 8.42 8.03 1t9bB1 LYS 620 HA -0.01 0.20 1.01 -0.75 4.32 4.77 1t9bB1 LYS 620 HB2 -0.01 -0.01 0.06 -0.04 1.87 1.88 1t9bB1 LYS 620 HB3 -0.00 0.05 0.06 -0.04 1.79 1.86 1t9bB1 LYS 620 HG2 0.00 0.04 -0.13 -0.04 1.46 1.33 1t9bB1 LYS 620 HG3 -0.00 -0.06 -0.24 -0.04 1.46 1.12 1t9bB1 LYS 620 HD2 -0.00 0.02 -0.03 -0.04 1.69 1.63 1t9bB1 LYS 620 HD3 0.00 0.04 -0.02 -0.04 1.68 1.66 1t9bB1 LYS 620 HE2 0.01 -0.02 -0.05 -0.04 2.99 2.88 1t9bB1 LYS 620 HE3 0.00 -0.00 -0.07 -0.04 2.99 2.88 1t9bB1 LYS 621 H -0.01 -0.04 0.19 -0.55 8.42 8.00 1t9bB1 LYS 621 HA -0.01 0.26 0.81 -0.75 4.32 4.63 1t9bB1 LYS 621 HB2 -0.01 -0.03 0.14 -0.04 1.87 1.93 1t9bB1 LYS 621 HB3 -0.01 -0.04 0.06 -0.04 1.79 1.76 1t9bB1 LYS 621 HG2 -0.01 0.11 -0.00 -0.04 1.46 1.52 1t9bB1 LYS 621 HG3 -0.01 -0.06 0.02 -0.04 1.46 1.37 1t9bB1 LYS 621 HD2 -0.01 -0.00 0.03 -0.04 1.69 1.67 1t9bB1 LYS 621 HD3 -0.01 0.02 0.02 -0.04 1.68 1.67 1t9bB1 LYS 621 HE2 -0.00 -0.01 0.00 -0.04 2.99 2.94 1t9bB1 LYS 621 HE3 -0.00 0.04 0.01 -0.04 2.99 2.99 1t9bB1 GLN 622 H -0.02 0.30 0.18 -0.55 8.47 8.39 1t9bB1 GLN 622 HA -0.03 0.06 0.35 -0.75 4.36 3.99 1t9bB1 GLN 622 HB2 -0.02 -0.03 0.10 -0.04 2.15 2.16 1t9bB1 GLN 622 HB3 -0.02 0.04 -0.02 -0.04 2.02 1.98 1t9bB1 GLN 622 HG2 -0.03 -0.06 -0.02 -0.04 2.40 2.25 1t9bB1 GLN 622 HG3 -0.02 0.10 0.04 -0.04 2.39 2.47 1t9bB1 GLN 622 HE21 -0.01 0.26 0.02 -0.04 6.97 7.20 1t9bB1 GLN 622 HE22 -0.01 0.60 -0.09 -0.04 7.69 8.15 1t9bB1 GLU 623 H -0.01 0.07 -0.22 -0.55 8.60 7.89 1t9bB1 GLU 623 HA -0.02 0.12 0.37 -0.75 4.29 4.02 1t9bB1 GLU 623 HB2 -0.01 0.01 -0.05 -0.04 2.09 2.00 1t9bB1 GLU 623 HB3 -0.01 0.07 0.08 -0.04 1.99 2.10 1t9bB1 GLU 623 HG2 -0.01 0.07 0.02 -0.04 2.34 2.39 1t9bB1 GLU 623 HG3 -0.01 0.02 0.02 -0.04 2.34 2.33 1t9bB1 GLU 624 H -0.02 0.40 -0.39 -0.55 8.60 8.05 1t9bB1 GLU 624 HA -0.01 0.23 0.93 -0.75 4.29 4.69 1t9bB1 GLU 624 HB2 -0.01 -0.02 0.07 -0.04 2.09 2.09 1t9bB1 GLU 624 HB3 -0.01 0.03 0.15 -0.04 1.99 2.12 1t9bB1 GLU 624 HG2 -0.01 0.09 -0.13 -0.04 2.34 2.25 1t9bB1 GLU 624 HG3 -0.01 -0.11 -0.05 -0.04 2.34 2.12 1t9bB1 LEU 625 H -0.02 0.40 -0.16 -0.55 8.37 8.05 1t9bB1 LEU 625 HA -0.03 0.02 0.32 -0.75 4.35 3.90 1t9bB1 LEU 625 HB2 -0.04 -0.00 0.07 -0.04 1.64 1.63 1t9bB1 LEU 625 HB3 -0.03 0.07 0.11 -0.04 1.64 1.75 1t9bB1 LEU 625 HG -0.04 0.04 -0.25 -0.04 1.64 1.35 1t9bB1 LEU 625 HD13 -0.06 -0.01 -0.06 -0.04 0.93 0.76 1t9bB1 LEU 625 HD23 -0.06 -0.01 -0.10 -0.04 0.89 0.69 1t9bB1 ASP 626 H -0.02 0.19 -0.13 -0.55 8.40 7.89 1t9bB1 ASP 626 HA -0.02 0.09 0.33 -0.75 4.63 4.28 1t9bB1 ASP 626 HB2 -0.01 -0.01 0.04 -0.04 2.71 2.69 1t9bB1 ASP 626 HB3 -0.02 0.08 -0.04 -0.04 2.70 2.68 1t9bB1 ALA 627 H -0.01 0.11 -0.27 -0.55 8.40 7.69 1t9bB1 ALA 627 HA 0.01 0.10 0.41 -0.75 4.34 4.11 1t9bB1 ALA 627 HB3 0.00 0.03 0.06 -0.04 1.41 1.46 1t9bB1 LYS 628 H -0.00 0.49 -0.14 -0.55 8.42 8.21 1t9bB1 LYS 628 HA 0.02 0.05 0.43 -0.75 4.32 4.07 1t9bB1 LYS 628 HB2 -0.03 0.08 0.08 -0.04 1.87 1.96 1t9bB1 LYS 628 HB3 -0.03 -0.04 -0.11 -0.04 1.79 1.56 1t9bB1 LYS 628 HG2 -0.01 0.05 0.06 -0.04 1.46 1.52 1t9bB1 LYS 628 HG3 -0.02 -0.09 -0.05 -0.04 1.46 1.26 1t9bB1 LYS 628 HD2 -0.01 -0.04 -0.05 -0.04 1.69 1.55 1t9bB1 LYS 628 HD3 0.01 0.02 -0.01 -0.04 1.68 1.65 1t9bB1 LYS 628 HE2 0.00 -0.04 0.03 -0.04 2.99 2.94 1t9bB1 LYS 628 HE3 -0.00 0.12 0.11 -0.04 2.99 3.17 1t9bB1 LEU 629 H 0.01 0.59 -0.14 -0.55 8.37 8.28 1t9bB1 LEU 629 HA 0.11 0.01 0.38 -0.75 4.35 4.10 1t9bB1 LEU 629 HB2 0.02 0.10 0.08 -0.04 1.64 1.79 1t9bB1 LEU 629 HB3 0.07 0.01 -0.08 -0.04 1.64 1.60 1t9bB1 LEU 629 HG -0.03 0.08 -0.03 -0.04 1.64 1.62 1t9bB1 LEU 629 HD13 -0.02 -0.02 -0.16 -0.04 0.93 0.69 1t9bB1 LEU 629 HD23 -0.02 -0.02 -0.08 -0.04 0.89 0.74 1t9bB1 LYS 630 H 0.04 0.42 -0.25 -0.55 8.42 8.07 1t9bB1 LYS 630 HA 0.04 0.08 0.39 -0.75 4.32 4.08 1t9bB1 GLU 631 H 0.06 0.44 -0.17 -0.55 8.60 8.38 1t9bB1 GLU 631 HA 0.04 0.05 0.36 -0.75 4.29 3.99 1t9bB1 GLU 631 HB2 0.04 0.04 0.10 -0.04 2.09 2.23 1t9bB1 GLU 631 HB3 0.07 0.02 0.05 -0.04 1.99 2.10 1t9bB1 GLU 631 HG2 0.06 0.03 -0.11 -0.04 2.34 2.27 1t9bB1 GLU 631 HG3 0.03 -0.01 -0.01 -0.04 2.34 2.31 1t9bB1 PHE 632 H 0.21 0.50 -0.29 -0.55 8.34 8.21 1t9bB1 PHE 632 HA 0.01 -0.04 0.25 -0.75 4.62 4.09 1t9bB1 PHE 632 HB2 0.00 -0.02 0.04 -0.04 3.15 3.12 1t9bB1 PHE 632 HB3 0.01 0.18 0.15 -0.04 3.06 3.36 1t9bB1 PHE 632 HD2 0.02 0.00 -0.16 -0.04 7.28 7.10 1t9bB1 PHE 632 HE2 0.02 0.02 -0.24 -0.04 7.38 7.14 1t9bB1 PHE 632 HZ -0.00 -0.07 -0.78 -0.04 7.32 6.43 1t9bB1 VAL 633 H 0.11 0.47 -0.15 -0.55 8.24 8.12 1t9bB1 VAL 633 HA -0.26 0.07 0.37 -0.75 4.13 3.55 1t9bB1 VAL 633 HB 0.02 0.02 0.05 -0.04 2.12 2.16 1t9bB1 VAL 633 HG13 -0.02 0.01 -0.15 -0.04 0.97 0.78 1t9bB1 VAL 633 HG23 0.06 -0.02 -0.05 -0.04 0.95 0.90 1t9bB1 SER 634 H 0.01 0.33 -0.32 -0.55 8.46 7.93 1t9bB1 SER 634 HA -0.02 0.19 0.71 -0.75 4.49 4.62 1t9bB1 SER 634 HB2 0.00 -0.10 0.10 -0.04 3.95 3.91 1t9bB1 SER 634 HB3 0.00 -0.05 0.03 -0.04 3.93 3.87 1t9bB1 THR 635 H -0.02 0.31 -0.35 -0.55 8.28 7.67 1t9bB1 THR 635 HA 0.01 -0.14 0.42 -0.75 4.39 3.93 1t9bB1 THR 635 HB -0.02 0.20 -0.00 -0.04 4.32 4.46 1t9bB1 THR 635 HG23 0.02 -0.05 -0.14 -0.04 1.22 1.01 1t9bB1 LYS 636 H 0.01 -0.08 0.17 -0.55 8.42 7.96 1t9bB1 LYS 636 HA -0.00 0.26 0.60 -0.75 4.32 4.42 1t9bB1 LYS 636 HB2 0.01 -0.14 0.14 -0.04 1.87 1.84 1t9bB1 LYS 636 HB3 0.01 0.02 -0.00 -0.04 1.79 1.77 1t9bB1 LYS 636 HG2 0.00 0.13 0.00 -0.04 1.46 1.56 1t9bB1 LYS 636 HG3 0.01 -0.05 0.08 -0.04 1.46 1.45 1t9bB1 LYS 636 HD2 0.01 -0.08 0.03 -0.04 1.69 1.60 1t9bB1 LYS 636 HD3 0.01 0.03 0.02 -0.04 1.68 1.70 1t9bB1 LYS 636 HE2 0.01 -0.06 0.01 -0.04 2.99 2.91 1t9bB1 LYS 636 HE3 0.01 0.06 0.01 -0.04 2.99 3.03 1t9bB1 GLY 637 H 0.01 -0.12 -0.01 -0.55 8.43 7.77 1t9bB1 GLY 637 HA2 0.02 0.22 0.69 -0.51 4.01 4.42 1t9bB1 GLY 637 HA3 0.02 -0.05 0.35 -0.51 4.01 3.82 1t9bB1 PRO 638 HA 0.02 0.34 0.39 -0.51 4.44 4.68 1t9bB1 PRO 638 HB2 0.06 -0.09 -0.02 -0.04 2.28 2.18 1t9bB1 PRO 638 HB3 0.04 0.18 0.14 -0.04 2.02 2.34 1t9bB1 PRO 638 HG2 0.05 -0.08 0.09 -0.04 2.03 2.04 1t9bB1 PRO 638 HG3 0.05 0.04 -0.03 -0.04 2.03 2.05 1t9bB1 PRO 638 HD2 0.03 0.01 0.20 -0.04 3.68 3.88 1t9bB1 PRO 638 HD3 0.03 0.18 0.03 -0.04 3.65 3.85 1t9bB1 VAL 639 H 0.05 0.61 0.32 -0.55 8.24 8.67 1t9bB1 VAL 639 HA 0.09 0.09 0.79 -0.75 4.13 4.34 1t9bB1 VAL 639 HB 0.06 0.04 -0.26 -0.04 2.12 1.93 1t9bB1 VAL 639 HG13 -0.01 0.06 -0.06 -0.04 0.97 0.92 1t9bB1 VAL 639 HG23 0.19 -0.04 -0.24 -0.04 0.95 0.82 1t9bB1 LEU 640 H 0.10 0.66 0.30 -0.55 8.37 8.89 1t9bB1 LEU 640 HA 0.11 0.28 1.10 -0.75 4.35 5.08 1t9bB1 LEU 640 HB2 0.05 0.02 -0.04 -0.04 1.64 1.62 1t9bB1 LEU 640 HB3 0.03 -0.04 0.14 -0.04 1.64 1.73 1t9bB1 LEU 640 HG -0.24 0.09 -0.06 -0.04 1.64 1.38 1t9bB1 LEU 640 HD13 -0.19 -0.02 -0.09 -0.04 0.93 0.59 1t9bB1 LEU 640 HD23 -0.13 -0.03 -0.41 -0.04 0.89 0.28 1t9bB1 LEU 641 H -0.17 0.86 0.34 -0.55 8.37 8.86 1t9bB1 LEU 641 HA -0.14 0.25 1.01 -0.75 4.35 4.70 1t9bB1 LEU 641 HB2 -0.51 0.08 -0.13 -0.04 1.64 1.04 1t9bB1 LEU 641 HB3 -1.26 0.02 0.05 -0.04 1.64 0.41 1t9bB1 LEU 641 HG -0.36 -0.12 -0.52 -0.04 1.64 0.61 1t9bB1 LEU 641 HD13 -0.14 0.02 -0.30 -0.04 0.93 0.47 1t9bB1 LEU 641 HD23 -0.49 0.02 -0.23 -0.04 0.89 0.15 1t9bB1 GLU 642 H -0.10 0.76 0.37 -0.55 8.60 9.08 1t9bB1 GLU 642 HA -0.18 0.11 1.00 -0.75 4.29 4.47 1t9bB1 GLU 642 HB2 -0.01 -0.04 0.05 -0.04 2.09 2.05 1t9bB1 GLU 642 HB3 0.01 -0.02 0.23 -0.04 1.99 2.17 1t9bB1 GLU 642 HG2 0.02 0.05 -0.33 -0.04 2.34 2.04 1t9bB1 GLU 642 HG3 0.06 -0.04 0.03 -0.04 2.34 2.35 1t9bB1 VAL 643 H -0.11 0.71 0.37 -0.55 8.24 8.65 1t9bB1 VAL 643 HA -0.07 0.21 1.03 -0.75 4.13 4.54 1t9bB1 VAL 643 HB -0.08 -0.07 0.08 -0.04 2.12 2.00 1t9bB1 VAL 643 HG13 -0.07 0.02 -0.22 -0.04 0.97 0.65 1t9bB1 VAL 643 HG23 -0.15 0.02 -0.24 -0.04 0.95 0.54 1t9bB1 GLU 644 H -0.02 0.55 0.29 -0.55 8.60 8.88 1t9bB1 GLU 644 HA 0.02 0.11 0.77 -0.75 4.29 4.43 1t9bB1 GLU 644 HB2 -0.00 -0.01 0.33 -0.04 2.09 2.37 1t9bB1 GLU 644 HB3 0.01 0.06 0.10 -0.04 1.99 2.12 1t9bB1 GLU 644 HG2 0.03 -0.01 0.06 -0.04 2.34 2.38 1t9bB1 GLU 644 HG3 0.01 -0.02 0.03 -0.04 2.34 2.32 1t9bB1 VAL 645 H 0.02 0.52 0.26 -0.55 8.24 8.48 1t9bB1 VAL 645 HA -0.03 0.27 0.96 -0.75 4.13 4.57 1t9bB1 VAL 645 HB -0.07 -0.03 0.04 -0.04 2.12 2.02 1t9bB1 VAL 645 HG13 -0.06 0.00 -0.36 -0.04 0.97 0.52 1t9bB1 VAL 645 HG23 0.04 0.02 -0.32 -0.04 0.95 0.66 1t9bB1 ASP 646 H -0.04 0.45 0.21 -0.55 8.40 8.48 1t9bB1 ASP 646 HA 0.03 0.02 0.42 -0.75 4.63 4.34 1t9bB1 ASP 646 HB2 -0.01 0.10 0.01 -0.04 2.71 2.77 1t9bB1 ASP 646 HB3 -0.00 -0.05 -0.01 -0.04 2.70 2.59 1t9bB1 LYS 647 H 0.07 0.14 0.18 -0.55 8.42 8.26 1t9bB1 LYS 647 HA 0.10 0.09 0.94 -0.75 4.32 4.70 1t9bB1 LYS 647 HB2 0.10 0.05 0.06 -0.04 1.87 2.04 1t9bB1 LYS 647 HB3 0.09 -0.03 0.11 -0.04 1.79 1.92 1t9bB1 LYS 647 HG2 0.09 0.09 0.03 -0.04 1.46 1.63 1t9bB1 LYS 647 HG3 0.07 -0.03 -0.00 -0.04 1.46 1.45 1t9bB1 LYS 647 HD2 0.09 -0.00 0.02 -0.04 1.69 1.75 1t9bB1 LYS 647 HD3 0.12 0.04 0.02 -0.04 1.68 1.81 1t9bB1 LYS 647 HE2 0.08 -0.04 -0.18 -0.04 2.99 2.81 1t9bB1 LYS 647 HE3 0.06 -0.02 -0.03 -0.04 2.99 2.96 1t9bB1 LYS 648 H 0.08 0.07 0.12 -0.55 8.42 8.15 1t9bB1 LYS 648 HA 0.08 -0.05 0.24 -0.75 4.32 3.84 1t9bB1 LYS 648 HB2 0.08 0.19 -0.08 -0.04 1.87 2.03 1t9bB1 LYS 648 HB3 0.10 0.01 0.13 -0.04 1.79 1.99 1t9bB1 LYS 648 HG2 0.03 -0.08 -0.13 -0.04 1.46 1.24 1t9bB1 LYS 648 HG3 0.03 0.15 -0.07 -0.04 1.46 1.54 1t9bB1 LYS 648 HD2 -0.12 0.04 -0.05 -0.04 1.69 1.53 1t9bB1 LYS 648 HD3 -0.10 -0.10 -0.02 -0.04 1.68 1.42 1t9bB1 LYS 648 HE2 -0.62 0.06 -0.04 -0.04 2.99 2.35 1t9bB1 LYS 648 HE3 -1.16 -0.06 -0.05 -0.04 2.99 1.68 1t9bB1 VAL 649 H 0.21 0.01 -0.25 -0.55 8.24 7.65 1t9bB1 VAL 649 HA 0.19 0.25 0.75 -0.75 4.13 4.56 1t9bB1 VAL 649 HB 0.31 -0.12 -0.01 -0.04 2.12 2.26 1t9bB1 VAL 649 HG13 0.17 0.02 -0.12 -0.04 0.97 1.00 1t9bB1 VAL 649 HG23 0.08 0.01 -0.30 -0.04 0.95 0.69 1t9bB1 PRO 650 HA 0.12 -0.01 0.57 -0.51 4.44 4.61 1t9bB1 PRO 650 HB2 0.11 0.15 -0.15 -0.04 2.28 2.35 1t9bB1 PRO 650 HB3 0.10 0.01 -0.02 -0.04 2.02 2.06 1t9bB1 PRO 650 HG2 0.23 0.01 -0.04 -0.04 2.03 2.19 1t9bB1 PRO 650 HG3 0.14 0.05 -0.02 -0.04 2.03 2.16 1t9bB1 PRO 650 HD2 0.21 0.05 0.21 -0.04 3.68 4.11 1t9bB1 PRO 650 HD3 0.16 0.28 0.08 -0.04 3.65 4.13 1t9bB1 VAL 651 H -0.07 0.06 0.11 -0.55 8.24 7.78 1t9bB1 VAL 651 HA 0.15 0.09 0.59 -0.75 4.13 4.21 1t9bB1 VAL 651 HB -0.67 -0.03 0.11 -0.04 2.12 1.49 1t9bB1 VAL 651 HG13 -0.54 0.05 -0.14 -0.04 0.97 0.29 1t9bB1 VAL 651 HG23 -1.22 -0.04 0.03 -0.04 0.95 -0.32 1t9bB1 LEU 652 H 0.24 0.27 0.16 -0.55 8.37 8.50 1t9bB1 LEU 652 HA 0.21 0.19 0.42 -0.75 4.35 4.42 1t9bB1 LEU 652 HB2 0.29 0.02 -0.07 -0.04 1.64 1.84 1t9bB1 LEU 652 HB3 0.24 0.01 -0.06 -0.04 1.64 1.79 1t9bB1 LEU 652 HG 0.22 -0.07 -0.80 -0.04 1.64 0.95 1t9bB1 LEU 652 HD13 0.29 -0.01 -0.30 -0.04 0.93 0.86 1t9bB1 LEU 652 HD23 0.13 0.07 -0.20 -0.04 0.89 0.85 1t9bB1 PRO 653 HA 0.17 0.22 0.46 -0.51 4.44 4.78 1t9bB1 PRO 653 HB2 -0.07 0.17 -0.11 -0.04 2.28 2.23 1t9bB1 PRO 653 HB3 -0.08 0.00 0.04 -0.04 2.02 1.94 1t9bB1 PRO 653 HG2 -0.22 -0.08 0.09 -0.04 2.03 1.79 1t9bB1 PRO 653 HG3 -0.01 -0.04 0.09 -0.04 2.03 2.03 1t9bB1 PRO 653 HD2 0.22 0.20 -0.01 -0.04 3.68 4.06 1t9bB1 PRO 653 HD3 0.29 0.11 0.40 -0.04 3.65 4.41 1t9bB1 MET 654 H 0.15 0.26 0.29 -0.55 8.47 8.62 1t9bB1 MET 654 HA 0.04 0.47 0.89 -0.75 4.52 5.17 1t9bB1 MET 654 HB2 0.22 0.21 -0.11 -0.04 2.15 2.42 1t9bB1 MET 654 HB3 0.06 -0.10 0.07 -0.04 2.03 2.02 1t9bB1 MET 654 HG2 -0.05 -0.07 -0.37 -0.04 2.63 2.11 1t9bB1 MET 654 HG3 -0.05 0.02 -0.05 -0.04 2.56 2.43 1t9bB1 MET 654 HE3 -0.43 -0.03 -0.09 -0.04 2.10 1.51 1t9bB1 VAL 655 H -0.07 0.57 0.26 -0.55 8.24 8.45 1t9bB1 VAL 655 HA 0.03 0.16 0.81 -0.75 4.13 4.38 1t9bB1 VAL 655 HB 0.00 -0.04 -0.00 -0.04 2.12 2.03 1t9bB1 VAL 655 HG13 0.03 -0.02 -0.49 -0.04 0.97 0.44 1t9bB1 VAL 655 HG23 0.10 0.01 -0.26 -0.04 0.95 0.76 1t9bB1 ALA 656 H 0.01 0.29 0.10 -0.55 8.40 8.25 1t9bB1 ALA 656 HA 0.08 0.18 0.72 -0.75 4.34 4.57 1t9bB1 ALA 656 HB3 -0.01 -0.00 -0.06 -0.04 1.41 1.30 1t9bB1 GLY 657 H 0.09 0.14 0.13 -0.55 8.43 8.24 1t9bB1 GLY 657 HA2 -0.00 0.05 0.35 -0.51 4.01 3.90 1t9bB1 GLY 657 HA3 0.03 0.05 0.52 -0.51 4.01 4.10 1t9bB1 GLY 658 H 0.02 0.16 0.20 -0.55 8.43 8.26 1t9bB1 GLY 658 HA2 0.01 0.13 0.66 -0.51 4.01 4.30 1t9bB1 GLY 658 HA3 0.01 0.00 0.35 -0.51 4.01 3.86 1t9bB1 SER 659 H 0.02 0.29 -0.32 -0.55 8.46 7.89 1t9bB1 SER 659 HA -0.01 0.03 0.49 -0.75 4.49 4.25 1t9bB1 SER 659 HB2 0.01 -0.10 0.02 -0.04 3.95 3.84 1t9bB1 SER 659 HB3 -0.01 0.19 0.09 -0.04 3.93 4.16 1t9bB1 GLY 660 H -0.01 0.10 0.18 -0.55 8.43 8.16 1t9bB1 GLY 660 HA2 0.04 0.17 0.64 -0.51 4.01 4.35 1t9bB1 GLY 660 HA3 0.01 0.09 0.32 -0.51 4.01 3.91 1t9bB1 LEU 661 H 0.06 0.28 0.01 -0.55 8.37 8.18 1t9bB1 LEU 661 HA 0.05 0.09 0.17 -0.75 4.35 3.91 1t9bB1 LEU 661 HB2 0.03 0.01 0.03 -0.04 1.64 1.67 1t9bB1 LEU 661 HB3 0.01 -0.01 -0.02 -0.04 1.64 1.57 1t9bB1 LEU 661 HG 0.17 0.15 -0.16 -0.04 1.64 1.75 1t9bB1 LEU 661 HD13 0.13 -0.00 -0.02 -0.04 0.93 0.99 1t9bB1 LEU 661 HD23 0.03 0.02 -0.26 -0.04 0.89 0.64 1t9bB1 ASP 662 H -0.01 0.03 -0.48 -0.55 8.40 7.39 1t9bB1 ASP 662 HA 0.06 0.19 0.64 -0.75 4.63 4.77 1t9bB1 ASP 662 HB2 -0.11 0.03 0.09 -0.04 2.71 2.69 1t9bB1 ASP 662 HB3 -0.07 0.03 -0.02 -0.04 2.70 2.59 1t9bB1 GLU 663 H -0.05 0.56 -0.41 -0.55 8.60 8.16 1t9bB1 GLU 663 HA -0.29 0.20 0.80 -0.75 4.29 4.25 1t9bB1 GLU 663 HB2 -0.05 -0.08 0.24 -0.04 2.09 2.15 1t9bB1 GLU 663 HB3 -0.09 0.02 0.20 -0.04 1.99 2.08 1t9bB1 GLU 663 HG2 -0.10 0.11 -0.08 -0.04 2.34 2.24 1t9bB1 GLU 663 HG3 -0.06 -0.11 -0.06 -0.04 2.34 2.07 1t9bB1 PHE 664 H -0.72 0.17 -0.50 -0.55 8.34 6.73 1t9bB1 PHE 664 HA -0.05 0.20 0.58 -0.75 4.62 4.60 1t9bB1 PHE 664 HB2 -0.04 -0.05 -0.07 -0.04 3.15 2.94 1t9bB1 PHE 664 HB3 -0.08 0.08 -0.14 -0.04 3.06 2.88 1t9bB1 PHE 664 HD2 -0.12 0.13 -0.32 -0.04 7.28 6.92 1t9bB1 PHE 664 HE2 -0.33 -0.02 -0.03 -0.04 7.38 6.96 1t9bB1 PHE 664 HZ -1.09 -0.01 -0.02 -0.04 7.32 6.17 1t9bB1 ILE 665 H 0.16 0.48 0.36 -0.55 8.25 8.70 1t9bB1 ILE 665 HA 0.05 0.11 0.76 -0.75 4.18 4.35 1t9bB1 ILE 665 HB 0.06 -0.04 0.20 -0.04 1.89 2.06 1t9bB1 ILE 665 HG12 -0.03 0.01 0.02 -0.04 1.49 1.44 1t9bB1 ILE 665 HG13 -0.01 0.08 0.02 -0.04 1.21 1.25 1t9bB1 ILE 665 HG23 0.04 -0.01 -0.12 -0.04 0.93 0.80 1t9bB1 ILE 665 HD13 -0.10 -0.02 -0.01 -0.04 0.88 0.71 1t9bB1 ASN 666 H 0.14 0.17 0.13 -0.55 8.53 8.44 1t9bB1 ASN 666 HA 0.25 0.15 0.92 -0.75 4.76 5.32 1t9bB1 ASN 666 HB2 0.41 0.02 -0.06 -0.04 2.88 3.21 1t9bB1 ASN 666 HB3 0.23 0.02 -0.02 -0.04 2.79 2.98 1t9bB1 ASN 666 HD21 0.30 0.06 0.08 -0.04 7.03 7.43 1t9bB1 ASN 666 HD22 0.25 0.02 0.01 -0.04 7.74 7.98 1t9bB1 PHE 667 H 0.35 0.19 0.09 -0.55 8.34 8.41 1t9bB1 PHE 667 HA 0.11 0.00 0.38 -0.75 4.62 4.36 1t9bB1 PHE 667 HB2 0.17 0.13 0.01 -0.04 3.15 3.42 1t9bB1 PHE 667 HB3 0.14 0.03 0.00 -0.04 3.06 3.20 1t9bB1 PHE 667 HD2 0.10 0.06 -0.18 -0.04 7.28 7.22 1t9bB1 PHE 667 HE2 0.04 0.03 -0.14 -0.04 7.38 7.27 1t9bB1 PHE 667 HZ 0.02 -0.00 -0.21 -0.04 7.32 7.08 1t9bB1 ASP 668 H -0.60 0.17 0.06 -0.55 8.40 7.47 1t9bB1 ASP 668 HA -0.42 0.24 0.68 -0.75 4.63 4.38 1t9bB1 ASP 668 HB2 -0.11 0.23 -0.14 -0.04 2.71 2.65 1t9bB1 ASP 668 HB3 -0.16 -0.10 0.17 -0.04 2.70 2.57 1t9bB1 PRO 669 HA -0.19 0.06 0.42 -0.51 4.44 4.22 1t9bB1 PRO 669 HB2 0.00 0.06 0.00 -0.04 2.28 2.31 1t9bB1 PRO 669 HB3 0.12 0.06 0.08 -0.04 2.02 2.24 1t9bB1 PRO 669 HG2 -0.09 -0.03 0.09 -0.04 2.03 1.96 1t9bB1 PRO 669 HG3 -0.01 0.13 0.06 -0.04 2.03 2.16 1t9bB1 PRO 669 HD2 -0.27 0.17 0.20 -0.04 3.68 3.73 1t9bB1 PRO 669 HD3 -0.46 0.20 0.04 -0.04 3.65 3.39 1t9bB1 GLU 670 H -0.13 0.15 -0.22 -0.55 8.60 7.85 1t9bB1 GLU 670 HA -0.03 0.11 0.45 -0.75 4.29 4.06 1t9bB1 GLU 670 HB2 -0.05 0.03 0.09 -0.04 2.09 2.12 1t9bB1 GLU 670 HB3 -0.06 0.01 0.04 -0.04 1.99 1.95 1t9bB1 GLU 670 HG2 -0.02 -0.00 -0.07 -0.04 2.34 2.20 1t9bB1 GLU 670 HG3 -0.02 0.01 0.05 -0.04 2.34 2.34 1t9bB1 VAL 671 H -0.11 0.13 -0.15 -0.55 8.24 7.56 1t9bB1 VAL 671 HA -0.03 0.06 0.45 -0.75 4.13 3.86 1t9bB1 VAL 671 HB -0.08 0.10 0.16 -0.04 2.12 2.25 1t9bB1 VAL 671 HG13 -0.01 0.01 -0.08 -0.04 0.97 0.85 1t9bB1 VAL 671 HG23 -0.04 0.00 0.04 -0.04 0.95 0.91 1t9bB1 GLU 672 H -0.08 0.47 -0.13 -0.55 8.60 8.32 1t9bB1 GLU 672 HA 0.06 0.06 0.40 -0.75 4.29 4.05 1t9bB1 GLU 672 HB2 0.14 -0.02 0.08 -0.04 2.09 2.24 1t9bB1 GLU 672 HB3 0.08 0.09 0.13 -0.04 1.99 2.25 1t9bB1 GLU 672 HG2 0.11 0.01 -0.21 -0.04 2.34 2.21 1t9bB1 GLU 672 HG3 0.13 0.02 0.07 -0.04 2.34 2.52 1t9bB1 ARG 673 H 0.01 0.42 -0.22 -0.55 8.46 8.12 1t9bB1 ARG 673 HA 0.04 0.04 0.47 -0.75 4.34 4.13 1t9bB1 ARG 673 HB2 0.02 0.05 0.16 -0.04 1.90 2.09 1t9bB1 ARG 673 HB3 0.01 0.12 0.18 -0.04 1.80 2.06 1t9bB1 ARG 673 HG2 0.03 -0.04 0.08 -0.04 1.67 1.70 1t9bB1 ARG 673 HG3 0.02 -0.01 0.03 -0.04 1.67 1.68 1t9bB1 ARG 673 HD2 0.02 -0.01 -0.38 -0.04 3.22 2.81 1t9bB1 ARG 673 HD3 0.02 -0.02 -0.05 -0.04 3.22 3.13 1t9bB1 GLN 674 H -0.00 0.47 -0.09 -0.55 8.47 8.31 1t9bB1 GLN 674 HA 0.00 0.02 0.48 -0.75 4.36 4.11 1t9bB1 GLN 674 HB2 -0.01 0.08 0.15 -0.04 2.15 2.33 1t9bB1 GLN 674 HB3 -0.01 -0.04 0.06 -0.04 2.02 2.00 1t9bB1 GLN 674 HG2 -0.00 -0.05 0.04 -0.04 2.40 2.35 1t9bB1 GLN 674 HG3 -0.01 0.37 0.16 -0.04 2.39 2.87 1t9bB1 GLN 674 HE21 -0.01 -0.01 -0.03 -0.04 6.97 6.88 1t9bB1 GLN 674 HE22 -0.01 -0.01 -0.01 -0.04 7.69 7.62 1t9bB1 GLN 675 H 0.01 0.66 -0.09 -0.55 8.47 8.50 1t9bB1 GLN 675 HA 0.01 0.01 0.44 -0.75 4.36 4.06 1t9bB1 GLN 675 HB2 0.06 0.11 0.16 -0.04 2.15 2.43 1t9bB1 GLN 675 HB3 0.12 -0.04 0.01 -0.04 2.02 2.07 1t9bB1 GLN 675 HG2 0.02 0.10 0.07 -0.04 2.40 2.55 1t9bB1 GLN 675 HG3 0.05 -0.04 -0.03 -0.04 2.39 2.32 1t9bB1 GLN 675 HE21 0.26 0.04 -0.01 -0.04 6.97 7.22 1t9bB1 GLN 675 HE22 0.28 -0.01 -0.01 -0.04 7.69 7.90 1t9bB1 THR 676 H 0.00 0.46 -0.28 -0.55 8.28 7.91 1t9bB1 THR 676 HA -0.12 0.04 0.45 -0.75 4.39 4.00 1t9bB1 THR 676 HB 0.02 0.15 0.21 -0.04 4.32 4.66 1t9bB1 THR 676 HG23 0.02 -0.02 -0.07 -0.04 1.22 1.11 1t9bB1 GLU 677 H -0.01 0.46 -0.12 -0.55 8.60 8.38 1t9bB1 GLU 677 HA 0.10 0.00 0.42 -0.75 4.29 4.07 1t9bB1 LEU 678 H -0.07 0.55 -0.13 -0.55 8.37 8.17 1t9bB1 LEU 678 HA -0.08 -0.01 0.42 -0.75 4.35 3.92 1t9bB1 LEU 678 HB2 -0.06 0.04 0.13 -0.04 1.64 1.71 1t9bB1 LEU 678 HB3 -0.17 0.12 0.16 -0.04 1.64 1.70 1t9bB1 LEU 678 HG -0.25 0.00 -0.12 -0.04 1.64 1.24 1t9bB1 LEU 678 HD13 -0.04 -0.02 0.05 -0.04 0.93 0.88 1t9bB1 LEU 678 HD23 0.04 -0.00 -0.01 -0.04 0.89 0.88 1t9bB1 ARG 679 H -0.26 0.56 -0.27 -0.55 8.46 7.94 1t9bB1 ARG 679 HA -0.44 0.03 0.42 -0.75 4.34 3.59 1t9bB1 ARG 679 HB2 -0.09 0.07 0.14 -0.04 1.90 1.98 1t9bB1 ARG 679 HB3 -0.25 0.17 0.20 -0.04 1.80 1.88 1t9bB1 ARG 679 HG2 0.14 -0.16 -0.20 -0.04 1.67 1.41 1t9bB1 ARG 679 HG3 0.39 -0.03 0.05 -0.04 1.67 2.04 1t9bB1 ARG 679 HD2 0.24 -0.11 -0.03 -0.04 3.22 3.28 1t9bB1 ARG 679 HD3 0.26 0.01 -0.00 -0.04 3.22 3.44 1t9bB1 HIS 680 H -0.23 0.58 -0.06 -0.55 8.41 8.15 1t9bB1 HIS 680 HA 0.04 -0.16 0.38 -0.75 4.63 4.14 1t9bB1 HIS 680 HB2 0.00 0.13 0.14 -0.04 3.26 3.49 1t9bB1 HIS 680 HB3 0.01 -0.05 0.03 -0.04 3.20 3.15 1t9bB1 HIS 680 HD2 0.02 -0.06 -0.09 -0.04 6.97 6.79 1t9bB1 HIS 680 HE1 0.05 0.06 -0.04 -0.04 7.75 7.78 1t9bB1 LYS 681 H 0.03 0.47 -0.24 -0.55 8.42 8.13 1t9bB1 LYS 681 HA 0.04 0.02 0.51 -0.75 4.32 4.14 1t9bB1 LYS 681 HB2 -0.01 0.12 0.19 -0.04 1.87 2.13 1t9bB1 LYS 681 HB3 0.01 -0.03 0.03 -0.04 1.79 1.75 1t9bB1 LYS 681 HG2 0.03 -0.05 0.02 -0.04 1.46 1.41 1t9bB1 LYS 681 HG3 0.04 0.15 0.07 -0.04 1.46 1.68 1t9bB1 LYS 681 HD2 -0.00 0.01 -0.03 -0.04 1.69 1.63 1t9bB1 LYS 681 HD3 0.01 -0.03 0.00 -0.04 1.68 1.62 1t9bB1 LYS 681 HE2 0.02 -0.03 -0.01 -0.04 2.99 2.93 1t9bB1 LYS 681 HE3 0.02 0.01 -0.03 -0.04 2.99 2.95 1t9bB1 ARG 682 H -0.03 0.59 0.04 -0.55 8.46 8.51 1t9bB1 ARG 682 HA 0.02 0.01 0.43 -0.75 4.34 4.05 1t9bB1 ARG 682 HB2 -0.05 0.05 0.18 -0.04 1.90 2.03 1t9bB1 ARG 682 HB3 0.03 0.08 0.05 -0.04 1.80 1.92 1t9bB1 ARG 682 HG2 0.01 -0.07 0.07 -0.04 1.67 1.64 1t9bB1 ARG 682 HG3 -0.05 0.02 0.12 -0.04 1.67 1.72 1t9bB1 ARG 682 HD2 -0.13 -0.04 -0.13 -0.04 3.22 2.88 1t9bB1 ARG 682 HD3 0.12 0.27 -0.06 -0.04 3.22 3.51 1t9bB1 THR 683 H 0.08 0.48 -0.20 -0.55 8.28 8.10 1t9bB1 THR 683 HA 0.11 0.18 0.65 -0.75 4.39 4.58 1t9bB1 THR 683 HB 0.24 -0.08 0.19 -0.04 4.32 4.63 1t9bB1 THR 683 HG23 0.37 0.08 0.10 -0.04 1.22 1.72 1t9bB1 GLY 684 H 0.05 0.51 -0.52 -0.55 8.43 7.92 1t9bB1 GLY 684 HA2 0.03 0.08 0.36 -0.51 4.01 3.96 1t9bB1 GLY 684 HA3 0.02 0.01 0.43 -0.51 4.01 3.97 1t9bB1 GLY 685 H 0.07 0.48 -0.11 -0.55 8.43 8.32 1t9bB1 GLY 685 HA2 0.04 -0.03 0.32 -0.51 4.01 3.83 1t9bB1 GLY 685 HA3 -0.01 0.09 0.45 -0.51 4.01 4.03 1t9bB1 LYS 686 H -0.00 0.45 -0.44 -0.55 8.42 7.87 1t9bB1 LYS 686 HA -0.18 0.10 0.50 -0.75 4.32 3.99 1t9bB1 LYS 686 HB2 -0.10 0.01 0.10 -0.04 1.87 1.84 1t9bB1 LYS 686 HB3 -0.44 -0.08 0.06 -0.04 1.79 1.29 1t9bB1 LYS 686 HG2 -0.08 -0.04 0.02 -0.04 1.46 1.31 1t9bB1 LYS 686 HG3 -0.03 0.24 0.05 -0.04 1.46 1.69 1t9bB1 LYS 686 HD2 0.03 -0.00 0.06 -0.04 1.69 1.73 1t9bB1 LYS 686 HD3 -0.04 -0.08 0.04 -0.04 1.68 1.56 1t9bB1 LYS 686 HE2 0.02 -0.07 0.03 -0.04 2.99 2.92 1t9bB1 LYS 686 HE3 -0.01 -0.03 0.03 -0.04 2.99 2.94 1t9bB1 HIS 687 H 0.09 0.02 -0.25 -0.55 8.41 7.73 1t9bB1 HIS 687 HA 0.05 0.22 0.51 -0.75 4.63 4.66 1t9bB1 HIS 687 HB2 0.17 0.04 -0.03 -0.04 3.26 3.41 1t9bB1 HIS 687 HB3 -0.05 -0.03 -0.01 -0.04 3.20 3.07 1t9bB1 HIS 687 HD2 0.15 0.03 -0.08 -0.04 6.97 7.02 1t9bB1 HIS 687 HE1 -0.74 -0.02 -0.00 -0.04 7.75 6.94