============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 71 rings ring int. center anis. iso. HIS 7 0.900 -40.641 69.116 38.653 -99.200 -91.000 PHE 14 1.000 -54.606 51.320 35.705 -99.200 -91.000 PHE 20 1.000 -58.245 44.427 48.021 -99.200 -91.000 PHE 27 1.000 -48.422 56.510 38.233 -99.200 -91.000 PHE 32 1.000 -36.582 62.928 46.022 -99.200 -91.000 PHE 42 1.000 -19.421 65.058 49.393 -99.200 -91.000 TRP 51 1.040 -40.915 64.471 32.332 -99.200 -91.000 TRP6 51 1.020 -40.463 64.652 34.639 -99.200 -91.000 PHE 53 1.000 -42.266 64.626 22.742 -99.200 -91.000 TYR 60 0.840 -39.343 47.798 41.417 -99.200 -91.000 PHE 78 1.000 -35.479 45.322 58.030 -99.200 -91.000 TYR 95 0.840 -34.573 58.511 40.014 -99.200 -91.000 TYR 99 0.840 -45.913 50.840 45.428 -99.200 -91.000 TRP 115 1.040 -40.973 52.592 54.348 -99.200 -91.000 TRP6 115 1.020 -41.402 52.061 56.606 -99.200 -91.000 HIS 117 0.900 -33.939 53.604 52.826 -99.200 -91.000 TYR 129 0.840 -38.742 49.067 53.445 -99.200 -91.000 HIS 137 0.900 -54.972 44.300 51.806 -99.200 -91.000 TYR 147 0.840 -32.789 58.280 53.468 -99.200 -91.000 TRP 152 1.040 -21.647 59.165 47.378 -99.200 -91.000 TRP6 152 1.020 -20.864 57.050 48.070 -99.200 -91.000 PHE 154 1.000 -27.129 61.179 56.382 -99.200 -91.000 PHE 155 1.000 -17.011 65.333 54.046 -99.200 -91.000 HIS 161 0.900 -15.762 76.548 53.598 -99.200 -91.000 TRP 166 1.040 -24.220 66.826 52.503 -99.200 -91.000 TRP6 166 1.020 -24.424 69.170 52.482 -99.200 -91.000 HIS 168 0.900 -31.672 63.332 58.527 -99.200 -91.000 TRP 177 1.040 -42.265 65.347 43.002 -99.200 -91.000 TRP6 177 1.020 -44.007 63.754 43.018 -99.200 -91.000 PHE 185 1.000 -48.785 60.685 40.872 -99.200 -91.000 PHE 195 1.000 -45.585 54.904 56.626 -99.200 -91.000 PHE 217 1.000 -43.940 66.253 59.477 -99.200 -91.000 HIS 218 0.900 -50.716 67.985 56.887 -99.200 -91.000 HIS 261 0.900 -11.590 71.483 44.128 -99.200 -91.000 PHE 280 1.000 -18.127 54.617 58.124 -99.200 -91.000 PHE 302 1.000 -41.817 68.961 70.504 -99.200 -91.000 HIS 303 0.900 -42.610 71.210 62.514 -99.200 -91.000 TYR 307 0.840 -43.048 60.890 66.723 -99.200 -91.000 PHE 316 1.000 -28.457 44.521 70.140 -99.200 -91.000 TRP 318 1.040 -30.404 35.879 64.526 -99.200 -91.000 TRP6 318 1.020 -31.113 35.969 62.272 -99.200 -91.000 TYR 326 0.840 -22.829 42.675 70.377 -99.200 -91.000 TRP 334 1.040 -14.283 49.992 77.317 -99.200 -91.000 TRP6 334 1.020 -14.765 52.270 77.787 -99.200 -91.000 TYR 337 0.840 -18.024 55.274 74.718 -99.200 -91.000 TYR 349 0.840 -31.015 46.064 81.882 -99.200 -91.000 PHE 363 1.000 -24.146 43.006 76.859 -99.200 -91.000 PHE 372 1.000 -33.359 50.127 68.685 -99.200 -91.000 HIS 383 0.900 -45.314 64.863 69.692 -99.200 -91.000 TYR 391 0.840 -52.975 57.882 69.974 -99.200 -91.000 TYR 393 0.840 -45.566 50.384 67.540 -99.200 -91.000 PHE 395 1.000 -45.124 43.279 65.559 -99.200 -91.000 TYR 397 0.840 -47.291 36.889 65.213 -99.200 -91.000 PHE 401 1.000 -44.299 35.822 54.878 -99.200 -91.000 HIS 414 0.900 -34.105 47.210 64.425 -99.200 -91.000 PHE 419 1.000 -41.055 40.717 57.644 -99.200 -91.000 PHE 422 1.000 -44.264 49.125 54.365 -99.200 -91.000 PHE 426 1.000 -53.424 40.412 53.565 -99.200 -91.000 PHE 445 1.000 -55.138 49.257 66.073 -99.200 -91.000 TRP 446 1.040 -48.273 51.521 61.284 -99.200 -91.000 TRP6 446 1.020 -48.562 50.680 63.478 -99.200 -91.000 PHE 449 1.000 -51.005 58.634 64.171 -99.200 -91.000 HIS 462 0.900 -59.642 52.909 73.557 -99.200 -91.000 TRP 463 1.040 -52.559 52.665 70.563 -99.200 -91.000 TRP6 463 1.020 -51.452 52.139 68.546 -99.200 -91.000 TYR 466 0.840 -46.630 57.459 76.906 -99.200 -91.000 TYR 472 0.840 -47.396 49.560 76.852 -99.200 -91.000 PHE 492 1.000 -30.076 51.192 85.887 -99.200 -91.000 TRP 493 1.040 -31.134 52.081 81.266 -99.200 -91.000 TRP6 493 1.020 -28.838 51.586 80.969 -99.200 -91.000 PHE 497 1.000 -26.551 56.973 79.993 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3k9bB1 PRO 2024 HA 0.00 -0.09 0.17 -0.51 4.44 4.01 3k9bB1 PRO 2024 HB2 -0.12 0.03 -0.17 -0.04 2.28 1.98 3k9bB1 PRO 2024 HB3 -0.69 0.01 -0.07 -0.04 2.02 1.23 3k9bB1 PRO 2024 HG2 -0.75 -0.06 -0.22 -0.04 2.03 0.96 3k9bB1 PRO 2024 HG3 -1.50 -0.02 -0.27 -0.04 2.03 0.20 3k9bB1 PRO 2024 HD2 -0.24 -0.13 0.08 -0.04 3.68 3.35 3k9bB1 PRO 2024 HD3 -0.36 0.07 -0.26 -0.04 3.65 3.06 3k9bB1 VAL 2025 H 0.06 0.17 0.04 -0.55 8.24 7.96 3k9bB1 VAL 2025 HA 0.15 0.30 1.15 -0.75 4.13 4.98 3k9bB1 VAL 2025 HB 0.05 -0.06 0.11 -0.04 2.12 2.18 3k9bB1 VAL 2025 HG13 0.07 0.01 -0.21 -0.04 0.97 0.79 3k9bB1 VAL 2025 HG23 0.05 -0.02 -0.17 -0.04 0.95 0.77 3k9bB1 VAL 2026 H 0.09 0.43 0.23 -0.55 8.24 8.44 3k9bB1 VAL 2026 HA -0.14 0.19 0.89 -0.75 4.13 4.32 3k9bB1 VAL 2026 HB -0.65 -0.04 0.02 -0.04 2.12 1.40 3k9bB1 VAL 2026 HG13 -0.94 0.01 -0.14 -0.04 0.97 -0.14 3k9bB1 VAL 2026 HG23 -0.41 -0.00 -0.10 -0.04 0.95 0.40 3k9bB1 ASP 2027 H -0.16 0.25 0.15 -0.55 8.40 8.08 3k9bB1 ASP 2027 HA 0.00 0.10 0.96 -0.75 4.63 4.94 3k9bB1 ASP 2027 HB2 -0.03 -0.03 -0.03 -0.04 2.71 2.58 3k9bB1 ASP 2027 HB3 -0.07 0.00 0.20 -0.04 2.70 2.80 3k9bB1 THR 2028 H 0.07 0.48 0.23 -0.55 8.28 8.51 3k9bB1 THR 2028 HA -0.06 0.20 0.75 -0.75 4.39 4.53 3k9bB1 THR 2028 HB 0.14 -0.08 0.15 -0.04 4.32 4.49 3k9bB1 THR 2028 HG23 0.41 0.02 -0.10 -0.04 1.22 1.50 3k9bB1 VAL 2029 H -0.20 0.17 0.16 -0.55 8.24 7.82 3k9bB1 VAL 2029 HA -0.21 0.11 0.46 -0.75 4.13 3.73 3k9bB1 VAL 2029 HB -0.53 -0.02 0.08 -0.04 2.12 1.61 3k9bB1 VAL 2029 HG13 -0.35 -0.00 -0.06 -0.04 0.97 0.53 3k9bB1 VAL 2029 HG23 -0.25 0.01 0.07 -0.04 0.95 0.73 3k9bB1 HIS 2030 H -0.19 0.06 -0.11 -0.55 8.41 7.62 3k9bB1 HIS 2030 HA -0.36 0.17 0.73 -0.75 4.63 4.41 3k9bB1 HIS 2030 HB2 -0.42 0.01 -0.04 -0.04 3.26 2.78 3k9bB1 HIS 2030 HB3 -0.72 0.02 0.03 -0.04 3.20 2.49 3k9bB1 HIS 2030 HD2 0.49 0.01 -0.02 -0.04 6.97 7.40 3k9bB1 HIS 2030 HE1 0.07 -0.05 -0.03 -0.04 7.75 7.70 3k9bB1 GLY 2031 H -0.29 0.21 -0.44 -0.55 8.43 7.37 3k9bB1 GLY 2031 HA2 -0.32 0.03 0.26 -0.51 4.01 3.46 3k9bB1 GLY 2031 HA3 -1.18 0.24 0.81 -0.51 4.01 3.37 3k9bB1 LYS 2032 H 0.24 0.30 0.20 -0.55 8.42 8.60 3k9bB1 LYS 2032 HA 0.18 0.15 0.94 -0.75 4.32 4.83 3k9bB1 LYS 2032 HB2 0.23 -0.03 0.07 -0.04 1.87 2.10 3k9bB1 LYS 2032 HB3 0.15 0.06 -0.02 -0.04 1.79 1.94 3k9bB1 LYS 2032 HG2 0.06 0.04 -0.06 -0.04 1.46 1.46 3k9bB1 LYS 2032 HG3 0.08 -0.03 -0.02 -0.04 1.46 1.45 3k9bB1 LYS 2032 HD2 0.13 -0.05 -0.14 -0.04 1.69 1.59 3k9bB1 LYS 2032 HD3 0.09 -0.00 -0.11 -0.04 1.68 1.62 3k9bB1 LYS 2032 HE2 0.05 0.00 -0.05 -0.04 2.99 2.95 3k9bB1 LYS 2032 HE3 0.06 -0.05 -0.06 -0.04 2.99 2.90 3k9bB1 VAL 2033 H 0.19 0.60 0.35 -0.55 8.24 8.84 3k9bB1 VAL 2033 HA 0.22 0.27 1.06 -0.75 4.13 4.92 3k9bB1 VAL 2033 HB 0.28 0.04 -0.05 -0.04 2.12 2.35 3k9bB1 VAL 2033 HG13 0.37 0.00 -0.21 -0.04 0.97 1.09 3k9bB1 VAL 2033 HG23 0.19 -0.03 -0.03 -0.04 0.95 1.03 3k9bB1 LEU 2034 H 0.13 0.73 0.35 -0.55 8.37 9.03 3k9bB1 LEU 2034 HA 0.16 0.23 1.08 -0.75 4.35 5.06 3k9bB1 LEU 2034 HB2 0.07 -0.07 -0.10 -0.04 1.64 1.50 3k9bB1 LEU 2034 HB3 0.04 -0.11 0.11 -0.04 1.64 1.63 3k9bB1 LEU 2034 HG -0.03 0.12 -0.11 -0.04 1.64 1.59 3k9bB1 LEU 2034 HD13 0.01 0.05 -0.05 -0.04 0.93 0.89 3k9bB1 LEU 2034 HD23 0.00 -0.04 -0.05 -0.04 0.89 0.76 3k9bB1 GLY 2035 H 0.00 0.64 0.27 -0.55 8.43 8.79 3k9bB1 GLY 2035 HA2 -0.29 0.24 0.93 -0.51 4.01 4.38 3k9bB1 GLY 2035 HA3 -1.12 -0.02 0.32 -0.51 4.01 2.69 3k9bB1 LYS 2036 H -0.55 0.42 0.34 -0.55 8.42 8.07 3k9bB1 LYS 2036 HA -0.26 0.12 0.79 -0.75 4.32 4.22 3k9bB1 LYS 2036 HB2 -0.10 -0.01 0.12 -0.04 1.87 1.84 3k9bB1 LYS 2036 HB3 -0.17 0.03 -0.12 -0.04 1.79 1.49 3k9bB1 LYS 2036 HG2 -0.22 0.07 0.12 -0.04 1.46 1.39 3k9bB1 LYS 2036 HG3 -0.12 0.01 -0.28 -0.04 1.46 1.03 3k9bB1 LYS 2036 HD2 -0.07 -0.01 -0.02 -0.04 1.69 1.55 3k9bB1 LYS 2036 HD3 -0.14 0.04 0.01 -0.04 1.68 1.55 3k9bB1 LYS 2036 HE2 -0.15 -0.01 -0.04 -0.04 2.99 2.75 3k9bB1 LYS 2036 HE3 -0.05 -0.03 -0.07 -0.04 2.99 2.80 3k9bB1 PHE 2037 H -0.00 0.11 0.19 -0.55 8.34 8.09 3k9bB1 PHE 2037 HA -0.05 0.37 0.88 -0.75 4.62 5.07 3k9bB1 PHE 2037 HB2 -0.02 -0.06 0.13 -0.04 3.15 3.16 3k9bB1 PHE 2037 HB3 -0.00 -0.01 -0.07 -0.04 3.06 2.94 3k9bB1 PHE 2037 HD2 -0.00 0.04 -0.21 -0.04 7.28 7.07 3k9bB1 PHE 2037 HE2 0.03 0.03 -0.08 -0.04 7.38 7.32 3k9bB1 PHE 2037 HZ 0.04 -0.05 -0.05 -0.04 7.32 7.21 3k9bB1 VAL 2038 H 0.16 0.79 0.37 -0.55 8.24 9.01 3k9bB1 VAL 2038 HA 0.08 0.11 0.87 -0.75 4.13 4.43 3k9bB1 VAL 2038 HB 0.08 -0.01 0.06 -0.04 2.12 2.20 3k9bB1 VAL 2038 HG13 0.07 -0.01 -0.14 -0.04 0.97 0.85 3k9bB1 VAL 2038 HG23 0.02 0.01 -0.24 -0.04 0.95 0.70 3k9bB1 SER 2039 H 0.06 0.16 0.13 -0.55 8.46 8.27 3k9bB1 SER 2039 HA 0.06 0.14 0.93 -0.75 4.49 4.86 3k9bB1 SER 2039 HB2 0.05 -0.06 0.09 -0.04 3.95 3.99 3k9bB1 SER 2039 HB3 0.07 0.11 -0.09 -0.04 3.93 3.98 3k9bB1 LEU 2040 H 0.04 0.25 0.12 -0.55 8.37 8.24 3k9bB1 LEU 2040 HA 0.07 0.09 0.75 -0.75 4.35 4.51 3k9bB1 LEU 2040 HB2 -0.09 -0.02 -0.04 -0.04 1.64 1.45 3k9bB1 LEU 2040 HB3 -0.26 0.05 0.02 -0.04 1.64 1.41 3k9bB1 LEU 2040 HG 0.16 0.14 -0.19 -0.04 1.64 1.71 3k9bB1 LEU 2040 HD13 0.11 -0.01 0.01 -0.04 0.93 1.00 3k9bB1 LEU 2040 HD23 -0.24 -0.00 -0.10 -0.04 0.89 0.51 3k9bB1 GLU 2041 H 0.13 0.14 0.12 -0.55 8.60 8.45 3k9bB1 GLU 2041 HA 0.11 -0.06 0.33 -0.75 4.29 3.91 3k9bB1 GLU 2041 HB2 0.18 0.06 0.12 -0.04 2.09 2.41 3k9bB1 GLU 2041 HB3 0.11 -0.02 0.01 -0.04 1.99 2.05 3k9bB1 GLU 2041 HG2 0.08 -0.03 0.07 -0.04 2.34 2.42 3k9bB1 GLU 2041 HG3 0.10 0.02 0.14 -0.04 2.34 2.57 3k9bB1 GLY 2042 H 0.07 0.04 0.15 -0.55 8.43 8.14 3k9bB1 GLY 2042 HA2 -0.05 -0.06 0.31 -0.51 4.01 3.70 3k9bB1 GLY 2042 HA3 -0.07 0.07 0.45 -0.51 4.01 3.95 3k9bB1 PHE 2043 H 0.15 0.22 -0.03 -0.55 8.34 8.12 3k9bB1 PHE 2043 HA -0.03 0.09 0.82 -0.75 4.62 4.75 3k9bB1 PHE 2043 HB2 -0.03 0.07 0.01 -0.04 3.15 3.16 3k9bB1 PHE 2043 HB3 -0.03 0.06 -0.06 -0.04 3.06 2.99 3k9bB1 PHE 2043 HD2 -0.07 0.10 -0.27 -0.04 7.28 6.99 3k9bB1 PHE 2043 HE2 -0.24 0.05 -0.08 -0.04 7.38 7.07 3k9bB1 PHE 2043 HZ -0.66 -0.06 -0.08 -0.04 7.32 6.49 3k9bB1 ALA 2044 H 0.03 0.14 0.10 -0.55 8.40 8.12 3k9bB1 ALA 2044 HA 0.02 0.06 0.53 -0.75 4.34 4.20 3k9bB1 ALA 2044 HB3 0.00 -0.01 0.07 -0.04 1.41 1.44 3k9bB1 GLN 2045 H 0.09 0.06 0.01 -0.55 8.47 8.09 3k9bB1 GLN 2045 HA 0.01 0.09 0.64 -0.75 4.36 4.35 3k9bB1 GLN 2045 HB2 0.05 -0.12 0.09 -0.04 2.15 2.13 3k9bB1 GLN 2045 HB3 0.08 -0.02 0.18 -0.04 2.02 2.23 3k9bB1 GLN 2045 HG2 0.07 0.08 0.01 -0.04 2.40 2.51 3k9bB1 GLN 2045 HG3 0.07 0.30 -0.13 -0.04 2.39 2.59 3k9bB1 GLN 2045 HE21 0.01 -0.10 -0.00 -0.04 6.97 6.84 3k9bB1 GLN 2045 HE22 0.03 -0.05 -0.00 -0.04 7.69 7.63 3k9bB1 PRO 2046 HA 0.06 -0.02 0.42 -0.51 4.44 4.39 3k9bB1 PRO 2046 HB2 0.08 -0.03 -0.16 -0.04 2.28 2.12 3k9bB1 PRO 2046 HB3 -0.00 -0.04 -0.05 -0.04 2.02 1.89 3k9bB1 PRO 2046 HG2 -0.43 -0.01 -0.08 -0.04 2.03 1.46 3k9bB1 PRO 2046 HG3 -0.19 0.03 0.08 -0.04 2.03 1.91 3k9bB1 PRO 2046 HD2 0.02 0.20 0.04 -0.04 3.68 3.90 3k9bB1 PRO 2046 HD3 -0.07 0.06 0.26 -0.04 3.65 3.87 3k9bB1 VAL 2047 H 0.12 0.74 0.35 -0.55 8.24 8.90 3k9bB1 VAL 2047 HA 0.16 0.36 1.01 -0.75 4.13 4.91 3k9bB1 VAL 2047 HB 0.10 -0.06 0.08 -0.04 2.12 2.21 3k9bB1 VAL 2047 HG13 0.16 0.04 -0.35 -0.04 0.97 0.77 3k9bB1 VAL 2047 HG23 0.02 0.01 -0.10 -0.04 0.95 0.84 3k9bB1 ALA 2048 H 0.17 0.65 0.29 -0.55 8.40 8.97 3k9bB1 ALA 2048 HA -0.24 0.17 0.81 -0.75 4.34 4.32 3k9bB1 ALA 2048 HB3 0.00 -0.00 0.05 -0.04 1.41 1.42 3k9bB1 ILE 2049 H -0.37 0.68 0.37 -0.55 8.25 8.38 3k9bB1 ILE 2049 HA -0.27 0.35 1.12 -0.75 4.18 4.64 3k9bB1 ILE 2049 HB -0.21 0.03 0.15 -0.04 1.89 1.83 3k9bB1 ILE 2049 HG12 -0.12 0.02 -0.08 -0.04 1.49 1.26 3k9bB1 ILE 2049 HG13 0.00 0.00 -0.33 -0.04 1.21 0.84 3k9bB1 ILE 2049 HG23 -0.37 -0.02 -0.23 -0.04 0.93 0.27 3k9bB1 ILE 2049 HD13 0.16 -0.02 -0.10 -0.04 0.88 0.88 3k9bB1 PHE 2050 H -0.04 0.67 0.30 -0.55 8.34 8.72 3k9bB1 PHE 2050 HA -0.09 0.26 1.02 -0.75 4.62 5.05 3k9bB1 PHE 2050 HB2 -0.02 -0.08 0.16 -0.04 3.15 3.16 3k9bB1 PHE 2050 HB3 0.05 0.05 -0.06 -0.04 3.06 3.06 3k9bB1 PHE 2050 HD2 0.12 0.06 -0.26 -0.04 7.28 7.16 3k9bB1 PHE 2050 HE2 0.11 0.05 -0.16 -0.04 7.38 7.34 3k9bB1 PHE 2050 HZ -0.03 -0.03 -0.22 -0.04 7.32 6.99 3k9bB1 LEU 2051 H -0.13 0.57 0.16 -0.55 8.37 8.42 3k9bB1 LEU 2051 HA -0.10 -0.00 0.81 -0.75 4.35 4.31 3k9bB1 LEU 2051 HB2 -0.28 -0.02 -0.30 -0.04 1.64 1.00 3k9bB1 LEU 2051 HB3 -0.31 -0.04 -0.32 -0.04 1.64 0.93 3k9bB1 LEU 2051 HG -0.31 0.06 -0.22 -0.04 1.64 1.13 3k9bB1 LEU 2051 HD13 -0.87 -0.00 -0.27 -0.04 0.93 -0.25 3k9bB1 LEU 2051 HD23 -0.16 -0.01 -0.19 -0.04 0.89 0.49 3k9bB1 GLY 2052 H -0.03 0.08 0.08 -0.55 8.43 8.02 3k9bB1 GLY 2052 HA2 -0.05 -0.08 0.28 -0.51 4.01 3.65 3k9bB1 GLY 2052 HA3 -0.22 0.12 0.40 -0.51 4.01 3.80 3k9bB1 ILE 2053 H 0.01 0.49 0.22 -0.55 8.25 8.43 3k9bB1 ILE 2053 HA 0.00 0.26 0.87 -0.75 4.18 4.56 3k9bB1 ILE 2053 HB -0.27 -0.05 0.02 -0.04 1.89 1.55 3k9bB1 ILE 2053 HG12 0.09 0.06 -0.20 -0.04 1.49 1.39 3k9bB1 ILE 2053 HG13 0.02 -0.03 -0.38 -0.04 1.21 0.78 3k9bB1 ILE 2053 HG23 0.02 0.02 -0.23 -0.04 0.93 0.70 3k9bB1 ILE 2053 HD13 0.09 -0.02 -0.15 -0.04 0.88 0.75 3k9bB1 PRO 2054 HA -0.56 0.18 0.69 -0.51 4.44 4.25 3k9bB1 PRO 2054 HB2 -0.20 0.10 0.03 -0.04 2.28 2.17 3k9bB1 PRO 2054 HB3 -0.33 -0.02 0.04 -0.04 2.02 1.67 3k9bB1 PRO 2054 HG2 -0.01 0.06 0.04 -0.04 2.03 2.08 3k9bB1 PRO 2054 HG3 -0.12 0.04 0.07 -0.04 2.03 1.98 3k9bB1 PRO 2054 HD2 0.12 0.11 0.10 -0.04 3.68 3.97 3k9bB1 PRO 2054 HD3 -0.07 0.12 0.19 -0.04 3.65 3.84 3k9bB1 PHE 2055 H -0.76 0.34 0.26 -0.55 8.34 7.63 3k9bB1 PHE 2055 HA -0.13 0.17 0.83 -0.75 4.62 4.73 3k9bB1 PHE 2055 HB2 -0.01 0.03 0.07 -0.04 3.15 3.20 3k9bB1 PHE 2055 HB3 -0.62 -0.00 -0.08 -0.04 3.06 2.32 3k9bB1 PHE 2055 HD2 -0.12 0.01 -0.36 -0.04 7.28 6.77 3k9bB1 PHE 2055 HE2 -0.02 0.01 -0.11 -0.04 7.38 7.21 3k9bB1 PHE 2055 HZ 0.01 0.17 0.02 -0.04 7.32 7.48 3k9bB1 ALA 2056 H -0.55 0.20 0.10 -0.55 8.40 7.61 3k9bB1 ALA 2056 HA -0.04 0.25 0.60 -0.75 4.34 4.39 3k9bB1 ALA 2056 HB3 -0.20 -0.03 -0.04 -0.04 1.41 1.10 3k9bB1 LYS 2057 H -0.09 0.42 0.12 -0.55 8.42 8.31 3k9bB1 LYS 2057 HA -0.11 0.09 0.63 -0.75 4.32 4.17 3k9bB1 LYS 2057 HB2 -0.04 0.35 -0.03 -0.04 1.87 2.11 3k9bB1 LYS 2057 HB3 -0.06 -0.10 0.05 -0.04 1.79 1.65 3k9bB1 LYS 2057 HG2 -0.06 0.06 -0.12 -0.04 1.46 1.29 3k9bB1 LYS 2057 HG3 -0.04 -0.05 0.07 -0.04 1.46 1.40 3k9bB1 LYS 2057 HD2 -0.01 0.07 -0.01 -0.04 1.69 1.70 3k9bB1 LYS 2057 HD3 -0.03 -0.02 -0.03 -0.04 1.68 1.56 3k9bB1 LYS 2057 HE2 -0.02 -0.01 -0.01 -0.04 2.99 2.91 3k9bB1 LYS 2057 HE3 -0.01 -0.03 0.01 -0.04 2.99 2.92 3k9bB1 PRO 2058 HA -0.17 0.02 0.40 -0.51 4.44 4.18 3k9bB1 PRO 2058 HB2 -0.07 -0.03 0.13 -0.04 2.28 2.27 3k9bB1 PRO 2058 HB3 -0.09 -0.05 0.04 -0.04 2.02 1.88 3k9bB1 PRO 2058 HG2 -0.07 0.03 0.13 -0.04 2.03 2.08 3k9bB1 PRO 2058 HG3 -0.08 0.04 0.06 -0.04 2.03 2.01 3k9bB1 PRO 2058 HD2 -0.14 0.19 0.29 -0.04 3.68 3.97 3k9bB1 PRO 2058 HD3 -0.25 0.14 -0.08 -0.04 3.65 3.41 3k9bB1 PRO 2059 HA -0.11 0.14 0.32 -0.51 4.44 4.29 3k9bB1 PRO 2059 HB2 -0.12 -0.03 0.17 -0.04 2.28 2.25 3k9bB1 PRO 2059 HB3 -0.10 0.11 0.12 -0.04 2.02 2.11 3k9bB1 PRO 2059 HG2 -0.10 0.03 0.11 -0.04 2.03 2.02 3k9bB1 PRO 2059 HG3 -0.12 -0.02 0.13 -0.04 2.03 1.98 3k9bB1 PRO 2059 HD2 -0.11 0.06 -0.45 -0.04 3.68 3.13 3k9bB1 PRO 2059 HD3 -0.14 -0.06 0.19 -0.04 3.65 3.59 3k9bB1 LEU 2060 H -0.08 0.68 0.00 -0.55 8.37 8.42 3k9bB1 LEU 2060 HA -0.08 0.15 0.74 -0.75 4.35 4.41 3k9bB1 LEU 2060 HB2 -0.06 0.06 -0.03 -0.04 1.64 1.57 3k9bB1 LEU 2060 HB3 -0.05 -0.08 0.07 -0.04 1.64 1.54 3k9bB1 LEU 2060 HG -0.08 -0.00 -0.40 -0.04 1.64 1.12 3k9bB1 LEU 2060 HD13 -0.05 0.00 -0.04 -0.04 0.93 0.80 3k9bB1 LEU 2060 HD23 -0.08 -0.00 -0.28 -0.04 0.89 0.49 3k9bB1 GLY 2061 H -0.06 0.09 0.16 -0.55 8.43 8.07 3k9bB1 GLY 2061 HA2 -0.05 0.10 0.40 -0.51 4.01 3.94 3k9bB1 GLY 2061 HA3 -0.05 0.06 0.45 -0.51 4.01 3.96 3k9bB1 PRO 2062 HA -0.05 0.14 0.52 -0.51 4.44 4.54 3k9bB1 PRO 2062 HB2 -0.02 0.03 0.06 -0.04 2.28 2.31 3k9bB1 PRO 2062 HB3 -0.01 -0.02 0.11 -0.04 2.02 2.05 3k9bB1 PRO 2062 HG2 -0.03 0.04 0.02 -0.04 2.03 2.02 3k9bB1 PRO 2062 HG3 -0.02 -0.03 0.11 -0.04 2.03 2.05 3k9bB1 PRO 2062 HD2 -0.06 0.13 0.22 -0.04 3.68 3.93 3k9bB1 PRO 2062 HD3 -0.04 0.04 0.33 -0.04 3.65 3.94 3k9bB1 LEU 2063 H -0.09 0.52 -0.39 -0.55 8.37 7.86 3k9bB1 LEU 2063 HA -0.10 0.13 0.57 -0.75 4.35 4.19 3k9bB1 LEU 2063 HB2 -0.09 0.10 -0.03 -0.04 1.64 1.57 3k9bB1 LEU 2063 HB3 -0.10 -0.02 0.01 -0.04 1.64 1.49 3k9bB1 LEU 2063 HG -0.05 -0.05 -0.04 -0.04 1.64 1.46 3k9bB1 LEU 2063 HD13 -0.05 0.01 -0.05 -0.04 0.93 0.79 3k9bB1 LEU 2063 HD23 -0.04 0.02 -0.06 -0.04 0.89 0.77 3k9bB1 ARG 2064 H -0.19 0.19 -0.59 -0.55 8.46 7.32 3k9bB1 ARG 2064 HA -0.37 0.05 0.45 -0.75 4.34 3.71 3k9bB1 ARG 2064 HB2 -0.28 -0.02 0.01 -0.04 1.90 1.58 3k9bB1 ARG 2064 HB3 -0.40 0.09 0.03 -0.04 1.80 1.48 3k9bB1 ARG 2064 HG2 -2.13 -0.01 -0.14 -0.04 1.67 -0.64 3k9bB1 ARG 2064 HG3 -0.52 -0.05 0.08 -0.04 1.67 1.14 3k9bB1 ARG 2064 HD2 -0.48 0.08 -0.06 -0.04 3.22 2.71 3k9bB1 ARG 2064 HD3 -0.74 -0.09 -0.07 -0.04 3.22 2.27 3k9bB1 PHE 2065 H -0.68 0.16 0.18 -0.55 8.34 7.45 3k9bB1 PHE 2065 HA -1.56 -0.03 0.28 -0.75 4.62 2.56 3k9bB1 PHE 2065 HB2 -0.31 0.24 0.10 -0.04 3.15 3.14 3k9bB1 PHE 2065 HB3 -0.24 -0.09 0.15 -0.04 3.06 2.83 3k9bB1 PHE 2065 HD2 -0.11 0.07 -0.10 -0.04 7.28 7.09 3k9bB1 PHE 2065 HE2 -0.22 0.05 -0.31 -0.04 7.38 6.86 3k9bB1 PHE 2065 HZ -0.47 -0.04 -0.15 -0.04 7.32 6.62 3k9bB1 THR 2066 H -0.63 0.30 -0.13 -0.55 8.28 7.27 3k9bB1 THR 2066 HA -0.65 0.06 0.69 -0.75 4.39 3.74 3k9bB1 THR 2066 HB -0.10 -0.07 0.06 -0.04 4.32 4.16 3k9bB1 THR 2066 HG23 -0.17 0.06 -0.38 -0.04 1.22 0.69 3k9bB1 PRO 2067 HA 0.27 0.04 0.44 -0.51 4.44 4.68 3k9bB1 PRO 2067 HB2 0.11 0.06 -0.02 -0.04 2.28 2.39 3k9bB1 PRO 2067 HB3 0.17 0.03 0.10 -0.04 2.02 2.27 3k9bB1 PRO 2067 HG2 0.17 0.01 0.08 -0.04 2.03 2.24 3k9bB1 PRO 2067 HG3 0.28 -0.01 0.03 -0.04 2.03 2.29 3k9bB1 PRO 2067 HD2 0.26 0.11 0.13 -0.04 3.68 4.14 3k9bB1 PRO 2067 HD3 0.78 0.12 -0.25 -0.04 3.65 4.26 3k9bB1 PRO 2068 HA 0.02 0.08 0.58 -0.51 4.44 4.61 3k9bB1 PRO 2068 HB2 0.11 0.07 -0.01 -0.04 2.28 2.41 3k9bB1 PRO 2068 HB3 0.10 -0.04 0.10 -0.04 2.02 2.14 3k9bB1 PRO 2068 HG2 0.15 0.07 -0.01 -0.04 2.03 2.20 3k9bB1 PRO 2068 HG3 0.16 -0.06 -0.19 -0.04 2.03 1.89 3k9bB1 PRO 2068 HD2 0.11 0.14 0.15 -0.04 3.68 4.04 3k9bB1 PRO 2068 HD3 0.15 0.02 0.19 -0.04 3.65 3.97 3k9bB1 GLN 2069 H -0.01 0.10 0.23 -0.55 8.47 8.25 3k9bB1 GLN 2069 HA 0.04 0.18 0.79 -0.75 4.36 4.61 3k9bB1 GLN 2069 HB2 -0.02 -0.08 0.09 -0.04 2.15 2.10 3k9bB1 GLN 2069 HB3 0.01 0.05 0.07 -0.04 2.02 2.11 3k9bB1 GLN 2069 HG2 -0.00 0.10 -0.13 -0.04 2.40 2.33 3k9bB1 GLN 2069 HG3 -0.02 -0.03 -0.01 -0.04 2.39 2.28 3k9bB1 GLN 2069 HE21 0.02 -0.08 -0.06 -0.04 6.97 6.82 3k9bB1 GLN 2069 HE22 0.02 0.12 -0.24 -0.04 7.69 7.55 3k9bB1 PRO 2070 HA 0.09 0.15 0.39 -0.51 4.44 4.56 3k9bB1 PRO 2070 HB2 0.07 0.00 -0.08 -0.04 2.28 2.23 3k9bB1 PRO 2070 HB3 0.14 0.05 0.06 -0.04 2.02 2.23 3k9bB1 PRO 2070 HG2 0.06 -0.02 0.07 -0.04 2.03 2.10 3k9bB1 PRO 2070 HG3 0.08 0.06 0.04 -0.04 2.03 2.17 3k9bB1 PRO 2070 HD2 0.06 0.14 0.21 -0.04 3.68 4.05 3k9bB1 PRO 2070 HD3 0.09 0.22 -0.22 -0.04 3.65 3.70 3k9bB1 ALA 2071 H -0.08 0.17 -0.04 -0.55 8.40 7.90 3k9bB1 ALA 2071 HA -0.05 0.07 0.51 -0.75 4.34 4.11 3k9bB1 ALA 2071 HB3 -0.16 0.01 -0.24 -0.04 1.41 0.98 3k9bB1 GLU 2072 H 0.02 0.06 0.07 -0.55 8.60 8.21 3k9bB1 GLU 2072 HA 0.04 0.05 0.39 -0.75 4.29 4.02 3k9bB1 GLU 2072 HB2 0.09 -0.04 0.06 -0.04 2.09 2.17 3k9bB1 GLU 2072 HB3 0.06 0.06 0.04 -0.04 1.99 2.12 3k9bB1 GLU 2072 HG2 0.02 -0.02 0.09 -0.04 2.34 2.38 3k9bB1 GLU 2072 HG3 0.03 -0.04 0.04 -0.04 2.34 2.32 3k9bB1 PRO 2073 HA -0.29 0.18 0.62 -0.51 4.44 4.44 3k9bB1 PRO 2073 HB2 -0.09 -0.10 0.02 -0.04 2.28 2.08 3k9bB1 PRO 2073 HB3 -0.21 0.11 0.13 -0.04 2.02 2.01 3k9bB1 PRO 2073 HG2 0.00 -0.07 0.11 -0.04 2.03 2.03 3k9bB1 PRO 2073 HG3 0.04 0.06 0.07 -0.04 2.03 2.15 3k9bB1 PRO 2073 HD2 0.07 0.08 0.29 -0.04 3.68 4.08 3k9bB1 PRO 2073 HD3 0.14 0.32 -0.32 -0.04 3.65 3.75 3k9bB1 TRP 2074 H -0.93 0.61 0.33 -0.55 7.97 7.44 3k9bB1 TRP 2074 HA -0.00 0.09 0.99 -0.75 4.62 4.95 3k9bB1 TRP 2074 HB2 0.03 0.02 0.00 -0.04 3.23 3.24 3k9bB1 TRP 2074 HB3 0.03 0.01 -0.09 -0.04 3.23 3.14 3k9bB1 TRP 2074 HD1 0.08 0.15 -0.34 -0.04 7.22 7.08 3k9bB1 TRP 2074 HE1 0.11 0.21 -0.12 -0.04 10.20 10.35 3k9bB1 TRP 2074 HE3 0.05 0.13 -0.05 -0.04 7.59 7.67 3k9bB1 TRP 2074 HZ2 0.20 -0.02 -0.37 -0.04 7.44 7.21 3k9bB1 TRP 2074 HZ3 0.03 0.04 -0.10 -0.04 7.13 7.07 3k9bB1 TRP 2074 HH2 0.27 0.01 -0.12 -0.04 7.19 7.31 3k9bB1 SER 2075 H 0.08 0.07 0.15 -0.55 8.46 8.22 3k9bB1 SER 2075 HA -0.06 0.10 0.64 -0.75 4.49 4.42 3k9bB1 SER 2075 HB2 -0.48 -0.02 0.01 -0.04 3.95 3.42 3k9bB1 SER 2075 HB3 -0.45 -0.05 0.09 -0.04 3.93 3.48 3k9bB1 PHE 2076 H 0.16 0.05 0.16 -0.55 8.34 8.15 3k9bB1 PHE 2076 HA 0.09 -0.02 0.34 -0.75 4.62 4.27 3k9bB1 PHE 2076 HB2 0.12 0.37 0.00 -0.04 3.15 3.60 3k9bB1 PHE 2076 HB3 0.08 -0.15 0.22 -0.04 3.06 3.16 3k9bB1 PHE 2076 HD2 0.05 0.03 0.01 -0.04 7.28 7.33 3k9bB1 PHE 2076 HE2 0.03 -0.00 -0.01 -0.04 7.38 7.36 3k9bB1 PHE 2076 HZ 0.03 -0.01 -0.01 -0.04 7.32 7.28 3k9bB1 VAL 2077 H 0.25 0.08 0.14 -0.55 8.24 8.16 3k9bB1 VAL 2077 HA 0.29 0.23 0.82 -0.75 4.13 4.72 3k9bB1 VAL 2077 HB 0.09 -0.05 0.04 -0.04 2.12 2.16 3k9bB1 VAL 2077 HG13 0.11 0.00 -0.40 -0.04 0.97 0.65 3k9bB1 VAL 2077 HG23 0.11 -0.02 -0.11 -0.04 0.95 0.89 3k9bB1 LYS 2078 H 0.27 0.92 0.28 -0.55 8.42 9.33 3k9bB1 LYS 2078 HA -0.10 0.05 0.74 -0.75 4.32 4.26 3k9bB1 LYS 2078 HB2 -1.04 0.03 0.03 -0.04 1.87 0.85 3k9bB1 LYS 2078 HB3 -0.20 0.02 0.20 -0.04 1.79 1.76 3k9bB1 LYS 2078 HG2 -0.29 0.08 -0.36 -0.04 1.46 0.85 3k9bB1 LYS 2078 HG3 -0.51 -0.04 -0.01 -0.04 1.46 0.86 3k9bB1 LYS 2078 HD2 -1.92 0.00 -0.05 -0.04 1.69 -0.32 3k9bB1 LYS 2078 HD3 -0.56 -0.04 -0.07 -0.04 1.68 0.97 3k9bB1 LYS 2078 HE2 -0.38 -0.00 0.05 -0.04 2.99 2.62 3k9bB1 LYS 2078 HE3 -0.28 0.11 -0.00 -0.04 2.99 2.78 3k9bB1 ASN 2079 H -0.06 0.16 0.19 -0.55 8.53 8.28 3k9bB1 ASN 2079 HA -0.01 0.05 0.57 -0.75 4.76 4.62 3k9bB1 ASN 2079 HB2 -0.03 0.01 0.15 -0.04 2.88 2.97 3k9bB1 ASN 2079 HB3 -0.06 -0.01 0.23 -0.04 2.79 2.91 3k9bB1 ASN 2079 HD21 -0.04 -0.00 -0.01 -0.04 7.03 6.94 3k9bB1 ASN 2079 HD22 -0.03 -0.02 0.02 -0.04 7.74 7.68 3k9bB1 ALA 2080 H 0.00 0.63 0.36 -0.55 8.40 8.84 3k9bB1 ALA 2080 HA -0.09 0.22 0.95 -0.75 4.34 4.66 3k9bB1 ALA 2080 HB3 0.07 0.02 0.00 -0.04 1.41 1.46 3k9bB1 THR 2081 H -0.11 0.12 -0.18 -0.55 8.28 7.57 3k9bB1 THR 2081 HA -0.18 0.25 1.17 -0.75 4.39 4.88 3k9bB1 THR 2081 HB -0.13 -0.03 0.15 -0.04 4.32 4.27 3k9bB1 THR 2081 HG23 -0.11 -0.00 -0.20 -0.04 1.22 0.86 3k9bB1 SER 2082 H -0.18 0.33 -0.06 -0.55 8.46 8.00 3k9bB1 SER 2082 HA -0.27 0.11 0.77 -0.75 4.49 4.35 3k9bB1 SER 2082 HB2 -0.09 0.01 0.01 -0.04 3.95 3.84 3k9bB1 SER 2082 HB3 -0.11 -0.00 -0.16 -0.04 3.93 3.62 3k9bB1 TYR 2083 H -0.26 0.09 0.04 -0.55 8.29 7.61 3k9bB1 TYR 2083 HA -0.08 0.01 0.26 -0.75 4.56 4.00 3k9bB1 TYR 2083 HB2 -0.06 -0.02 0.04 -0.04 3.06 2.98 3k9bB1 TYR 2083 HB3 -0.06 0.08 -0.06 -0.04 2.98 2.91 3k9bB1 TYR 2083 HD2 -0.02 -0.01 -0.01 -0.04 7.15 7.07 3k9bB1 TYR 2083 HE2 0.04 -0.01 -0.06 -0.04 6.85 6.78 3k9bB1 PRO 2084 HA -0.29 0.13 0.48 -0.51 4.44 4.26 3k9bB1 PRO 2084 HB2 -0.23 0.10 -0.06 -0.04 2.28 2.06 3k9bB1 PRO 2084 HB3 -0.61 0.04 0.02 -0.04 2.02 1.42 3k9bB1 PRO 2084 HG2 0.05 -0.00 -0.08 -0.04 2.03 1.95 3k9bB1 PRO 2084 HG3 -0.03 -0.08 0.02 -0.04 2.03 1.90 3k9bB1 PRO 2084 HD2 0.04 0.10 0.12 -0.04 3.68 3.90 3k9bB1 PRO 2084 HD3 0.17 0.00 0.15 -0.04 3.65 3.94 3k9bB1 PRO 2085 HA -0.06 0.04 0.37 -0.51 4.44 4.28 3k9bB1 PRO 2085 HB2 -0.05 0.10 -0.19 -0.04 2.28 2.10 3k9bB1 PRO 2085 HB3 -0.07 -0.04 -0.16 -0.04 2.02 1.70 3k9bB1 PRO 2085 HG2 -0.08 0.01 -0.06 -0.04 2.03 1.86 3k9bB1 PRO 2085 HG3 -0.09 0.01 -0.06 -0.04 2.03 1.85 3k9bB1 PRO 2085 HD2 -0.10 0.21 0.11 -0.04 3.68 3.86 3k9bB1 PRO 2085 HD3 -0.22 0.12 0.15 -0.04 3.65 3.66 3k9bB1 MET 2086 H -0.08 0.36 0.26 -0.55 8.47 8.46 3k9bB1 MET 2086 HA -0.06 0.13 0.84 -0.75 4.52 4.67 3k9bB1 MET 2086 HB2 -0.10 0.10 0.05 -0.04 2.15 2.16 3k9bB1 MET 2086 HB3 -0.08 -0.07 -0.14 -0.04 2.03 1.71 3k9bB1 MET 2086 HG2 -0.08 -0.02 -0.11 -0.04 2.63 2.39 3k9bB1 MET 2086 HG3 -0.09 -0.00 -0.10 -0.04 2.56 2.33 3k9bB1 MET 2086 HE3 -0.06 -0.01 -0.19 -0.04 2.10 1.80 3k9bB1 CYS 2087 H -0.09 0.07 0.10 -0.55 8.50 8.02 3k9bB1 CYS 2087 HA -0.18 0.16 -0.03 -0.75 4.58 3.77 3k9bB1 CYS 2087 HB2 -0.09 0.12 0.04 -0.04 2.97 3.00 3k9bB1 CYS 2087 HB3 -0.13 -0.09 0.08 -0.04 2.97 2.78 3k9bB1 THR 2088 H -0.50 0.10 0.03 -0.55 8.28 7.36 3k9bB1 THR 2088 HA -0.33 -0.07 0.56 -0.75 4.39 3.80 3k9bB1 THR 2088 HB -0.99 0.01 -0.07 -0.04 4.32 3.23 3k9bB1 THR 2088 HG23 -0.63 0.00 -0.21 -0.04 1.22 0.34 3k9bB1 GLN 2089 H -0.11 0.33 0.21 -0.55 8.47 8.35 3k9bB1 GLN 2089 HA 0.14 0.10 0.48 -0.75 4.36 4.33 3k9bB1 GLN 2089 HB2 0.06 0.01 0.20 -0.04 2.15 2.38 3k9bB1 GLN 2089 HB3 0.01 0.16 -0.27 -0.04 2.02 1.89 3k9bB1 GLN 2089 HG2 -0.06 0.05 -0.19 -0.04 2.40 2.17 3k9bB1 GLN 2089 HG3 -0.01 0.03 -0.58 -0.04 2.39 1.79 3k9bB1 GLN 2089 HE21 -0.05 -0.10 -0.05 -0.04 6.97 6.73 3k9bB1 GLN 2089 HE22 -0.04 0.02 -0.13 -0.04 7.69 7.50 3k9bB1 ASP 2090 H 0.10 0.20 0.09 -0.55 8.40 8.24 3k9bB1 ASP 2090 HA 0.06 0.15 0.47 -0.75 4.63 4.55 3k9bB1 ASP 2090 HB2 0.09 0.14 0.11 -0.04 2.71 3.01 3k9bB1 ASP 2090 HB3 0.05 -0.07 0.14 -0.04 2.70 2.79 3k9bB1 PRO 2091 HA -0.02 0.11 0.44 -0.51 4.44 4.46 3k9bB1 PRO 2091 HB2 -0.01 0.00 0.08 -0.04 2.28 2.31 3k9bB1 PRO 2091 HB3 -0.02 0.07 0.10 -0.04 2.02 2.12 3k9bB1 PRO 2091 HG2 0.00 0.01 0.16 -0.04 2.03 2.16 3k9bB1 PRO 2091 HG3 -0.02 0.04 0.10 -0.04 2.03 2.12 3k9bB1 PRO 2091 HD2 0.02 0.16 0.51 -0.04 3.68 4.32 3k9bB1 PRO 2091 HD3 -0.02 0.26 -0.17 -0.04 3.65 3.68 3k9bB1 LYS 2092 H 0.00 0.13 -0.12 -0.55 8.42 7.88 3k9bB1 LYS 2092 HA -0.01 0.16 0.53 -0.75 4.32 4.24 3k9bB1 LYS 2092 HB2 0.00 -0.04 0.12 -0.04 1.87 1.90 3k9bB1 LYS 2092 HB3 -0.01 0.07 -0.01 -0.04 1.79 1.80 3k9bB1 LYS 2092 HG2 -0.01 0.04 -0.00 -0.04 1.46 1.45 3k9bB1 LYS 2092 HG3 -0.00 -0.05 0.04 -0.04 1.46 1.41 3k9bB1 LYS 2092 HD2 -0.00 0.03 -0.00 -0.04 1.69 1.68 3k9bB1 LYS 2092 HD3 0.00 0.02 0.01 -0.04 1.68 1.66 3k9bB1 LYS 2092 HE2 0.01 -0.03 0.03 -0.04 2.99 2.96 3k9bB1 LYS 2092 HE3 0.00 -0.01 0.02 -0.04 2.99 2.96 3k9bB1 ALA 2093 H 0.00 0.10 -0.08 -0.55 8.40 7.88 3k9bB1 ALA 2093 HA -0.02 0.09 0.35 -0.75 4.34 4.00 3k9bB1 ALA 2093 HB3 0.01 0.04 0.04 -0.04 1.41 1.46 3k9bB1 GLY 2094 H -0.01 0.47 -0.40 -0.55 8.43 7.94 3k9bB1 GLY 2094 HA2 -0.03 -0.03 0.46 -0.51 4.01 3.91 3k9bB1 GLY 2094 HA3 -0.03 0.14 0.24 -0.51 4.01 3.85 3k9bB1 GLN 2095 H -0.03 0.47 -0.15 -0.55 8.47 8.21 3k9bB1 GLN 2095 HA -0.06 0.03 0.45 -0.75 4.36 4.02 3k9bB1 GLN 2095 HB2 -0.04 0.08 0.17 -0.04 2.15 2.32 3k9bB1 GLN 2095 HB3 -0.03 0.09 0.14 -0.04 2.02 2.18 3k9bB1 GLN 2095 HG2 -0.03 -0.02 -0.07 -0.04 2.40 2.23 3k9bB1 GLN 2095 HG3 -0.05 -0.03 0.05 -0.04 2.39 2.33 3k9bB1 GLN 2095 HE21 -0.02 -0.01 -0.03 -0.04 6.97 6.87 3k9bB1 GLN 2095 HE22 -0.03 -0.00 -0.05 -0.04 7.69 7.57 3k9bB1 LEU 2096 H -0.04 0.37 -0.41 -0.55 8.37 7.75 3k9bB1 LEU 2096 HA -0.04 0.08 0.51 -0.75 4.35 4.15 3k9bB1 LEU 2096 HB2 -0.04 0.03 0.03 -0.04 1.64 1.62 3k9bB1 LEU 2096 HB3 -0.06 0.09 0.12 -0.04 1.64 1.76 3k9bB1 LEU 2096 HG -0.08 -0.02 -0.22 -0.04 1.64 1.27 3k9bB1 LEU 2096 HD13 -0.02 -0.01 0.02 -0.04 0.93 0.88 3k9bB1 LEU 2096 HD23 -0.06 -0.00 -0.04 -0.04 0.89 0.75 3k9bB1 LEU 2097 H -0.09 0.52 -0.04 -0.55 8.37 8.21 3k9bB1 LEU 2097 HA -0.26 0.03 0.42 -0.75 4.35 3.78 3k9bB1 LEU 2097 HB2 -0.12 0.07 0.13 -0.04 1.64 1.68 3k9bB1 LEU 2097 HB3 -0.09 0.06 0.14 -0.04 1.64 1.72 3k9bB1 LEU 2097 HG -0.22 -0.02 -0.18 -0.04 1.64 1.18 3k9bB1 LEU 2097 HD13 -0.63 -0.01 -0.01 -0.04 0.93 0.23 3k9bB1 LEU 2097 HD23 0.07 -0.02 -0.09 -0.04 0.89 0.81 3k9bB1 SER 2098 H -0.09 0.60 -0.17 -0.55 8.46 8.25 3k9bB1 SER 2098 HA -0.13 -0.04 0.40 -0.75 4.49 3.97 3k9bB1 SER 2098 HB2 -0.10 0.01 0.08 -0.04 3.95 3.90 3k9bB1 SER 2098 HB3 -0.09 0.10 0.08 -0.04 3.93 3.99 3k9bB1 GLU 2099 H -0.07 0.34 -0.42 -0.55 8.60 7.91 3k9bB1 GLU 2099 HA -0.03 0.02 0.44 -0.75 4.29 3.96 3k9bB1 GLU 2099 HB2 -0.02 0.13 0.17 -0.04 2.09 2.33 3k9bB1 GLU 2099 HB3 0.01 -0.06 0.05 -0.04 1.99 1.95 3k9bB1 GLU 2099 HG2 -0.03 -0.10 0.02 -0.04 2.34 2.20 3k9bB1 GLU 2099 HG3 -0.04 0.29 0.15 -0.04 2.34 2.70 3k9bB1 LEU 2100 H -0.08 0.27 -0.32 -0.55 8.37 7.70 3k9bB1 LEU 2100 HA 0.13 0.17 0.67 -0.75 4.35 4.57 3k9bB1 LEU 2100 HB2 -0.22 0.02 0.10 -0.04 1.64 1.50 3k9bB1 LEU 2100 HB3 0.06 -0.10 0.04 -0.04 1.64 1.60 3k9bB1 LEU 2100 HG -0.01 0.16 -0.01 -0.04 1.64 1.73 3k9bB1 LEU 2100 HD13 -0.08 -0.04 -0.05 -0.04 0.93 0.72 3k9bB1 LEU 2100 HD23 0.17 -0.01 -0.02 -0.04 0.89 0.98 3k9bB1 PHE 2101 H -0.00 0.31 -0.10 -0.55 8.34 7.99 3k9bB1 PHE 2101 HA -0.14 0.14 0.86 -0.75 4.62 4.73 3k9bB1 PHE 2101 HB2 -0.19 0.07 0.05 -0.04 3.15 3.04 3k9bB1 PHE 2101 HB3 -0.31 -0.08 -0.08 -0.04 3.06 2.55 3k9bB1 PHE 2101 HD2 0.12 0.12 -0.15 -0.04 7.28 7.34 3k9bB1 PHE 2101 HE2 0.15 -0.02 -0.09 -0.04 7.38 7.39 3k9bB1 PHE 2101 HZ 0.14 -0.09 -0.14 -0.04 7.32 7.19 3k9bB1 THR 2102 H -0.09 0.39 0.02 -0.55 8.28 8.05 3k9bB1 THR 2102 HA -0.36 -0.01 0.31 -0.75 4.39 3.58 3k9bB1 THR 2102 HB -0.16 0.15 0.23 -0.04 4.32 4.49 3k9bB1 THR 2102 HG23 -0.03 -0.01 -0.07 -0.04 1.22 1.07 3k9bB1 ASN 2103 H -0.27 0.12 0.19 -0.55 8.53 8.02 3k9bB1 ASN 2103 HA -0.12 0.22 0.81 -0.75 4.76 4.92 3k9bB1 ASN 2103 HB2 -0.12 -0.06 0.12 -0.04 2.88 2.78 3k9bB1 ASN 2103 HB3 -0.25 0.02 -0.01 -0.04 2.79 2.51 3k9bB1 ASN 2103 HD21 -0.07 0.30 0.18 -0.04 7.03 7.40 3k9bB1 ASN 2103 HD22 -0.03 0.28 0.01 -0.04 7.74 7.96 3k9bB1 ARG 2104 H -0.11 0.09 -0.23 -0.55 8.46 7.66 3k9bB1 ARG 2104 HA -0.05 0.10 0.64 -0.75 4.34 4.27 3k9bB1 ARG 2104 HB2 -0.07 0.12 -0.18 -0.04 1.90 1.73 3k9bB1 ARG 2104 HB3 -0.03 -0.06 0.03 -0.04 1.80 1.69 3k9bB1 ARG 2104 HG2 -0.05 -0.04 -0.01 -0.04 1.67 1.52 3k9bB1 ARG 2104 HG3 -0.12 -0.11 0.01 -0.04 1.67 1.42 3k9bB1 ARG 2104 HD2 -0.13 -0.03 0.04 -0.04 3.22 3.05 3k9bB1 ARG 2104 HD3 -0.08 0.01 -0.01 -0.04 3.22 3.11 3k9bB1 LYS 2105 H -0.00 0.13 0.05 -0.55 8.42 8.04 3k9bB1 LYS 2105 HA 0.03 0.03 0.36 -0.75 4.32 3.99 3k9bB1 LYS 2105 HB2 0.03 0.21 0.16 -0.04 1.87 2.23 3k9bB1 LYS 2105 HB3 0.02 -0.12 0.18 -0.04 1.79 1.84 3k9bB1 LYS 2105 HG2 0.03 -0.00 -0.18 -0.04 1.46 1.27 3k9bB1 LYS 2105 HG3 0.06 -0.06 0.05 -0.04 1.46 1.47 3k9bB1 LYS 2105 HD2 0.03 -0.02 0.01 -0.04 1.69 1.67 3k9bB1 LYS 2105 HD3 0.04 -0.05 -0.01 -0.04 1.68 1.62 3k9bB1 LYS 2105 HE2 0.05 -0.06 0.01 -0.04 2.99 2.95 3k9bB1 LYS 2105 HE3 0.04 0.15 0.08 -0.04 2.99 3.22 3k9bB1 GLU 2106 H 0.00 0.05 -0.01 -0.55 8.60 8.09 3k9bB1 GLU 2106 HA 0.00 0.14 0.73 -0.75 4.29 4.41 3k9bB1 GLU 2106 HB2 0.00 -0.04 0.05 -0.04 2.09 2.06 3k9bB1 GLU 2106 HB3 -0.00 0.12 -0.01 -0.04 1.99 2.05 3k9bB1 GLU 2106 HG2 0.01 0.03 -0.03 -0.04 2.34 2.31 3k9bB1 GLU 2106 HG3 0.02 -0.08 -0.06 -0.04 2.34 2.17 3k9bB1 ASN 2107 H -0.02 0.10 0.10 -0.55 8.53 8.17 3k9bB1 ASN 2107 HA -0.07 0.10 0.47 -0.75 4.76 4.50 3k9bB1 ASN 2107 HB2 -0.03 0.08 0.06 -0.04 2.88 2.95 3k9bB1 ASN 2107 HB3 -0.04 -0.05 -0.03 -0.04 2.79 2.63 3k9bB1 ASN 2107 HD21 -0.12 -0.06 -0.14 -0.04 7.03 6.67 3k9bB1 ASN 2107 HD22 -0.11 0.02 0.07 -0.04 7.74 7.68 3k9bB1 ILE 2108 H -0.13 0.15 0.07 -0.55 8.25 7.79 3k9bB1 ILE 2108 HA -0.08 0.23 0.84 -0.75 4.18 4.41 3k9bB1 ILE 2108 HB -0.30 -0.00 0.02 -0.04 1.89 1.57 3k9bB1 ILE 2108 HG12 -0.08 0.02 -0.10 -0.04 1.49 1.29 3k9bB1 ILE 2108 HG13 -0.13 0.04 -0.21 -0.04 1.21 0.86 3k9bB1 ILE 2108 HG23 -0.24 -0.01 -0.30 -0.04 0.93 0.33 3k9bB1 ILE 2108 HD13 -0.36 0.00 -0.05 -0.04 0.88 0.42 3k9bB1 PRO 2109 HA -0.06 0.01 0.50 -0.51 4.44 4.38 3k9bB1 PRO 2109 HB2 -0.03 0.03 -0.02 -0.04 2.28 2.22 3k9bB1 PRO 2109 HB3 -0.03 0.00 0.05 -0.04 2.02 2.00 3k9bB1 PRO 2109 HG2 -0.02 0.02 0.07 -0.04 2.03 2.06 3k9bB1 PRO 2109 HG3 -0.03 0.05 0.09 -0.04 2.03 2.10 3k9bB1 PRO 2109 HD2 -0.05 0.14 0.09 -0.04 3.68 3.82 3k9bB1 PRO 2109 HD3 -0.05 0.12 0.21 -0.04 3.65 3.89 3k9bB1 LEU 2110 H -0.06 0.09 0.15 -0.55 8.37 8.00 3k9bB1 LEU 2110 HA -0.05 0.24 0.82 -0.75 4.35 4.60 3k9bB1 LEU 2110 HB2 -0.07 -0.07 -0.04 -0.04 1.64 1.42 3k9bB1 LEU 2110 HB3 -0.07 0.08 0.03 -0.04 1.64 1.64 3k9bB1 LEU 2110 HG -0.11 0.11 -0.20 -0.04 1.64 1.39 3k9bB1 LEU 2110 HD13 -0.10 -0.03 -0.15 -0.04 0.93 0.61 3k9bB1 LEU 2110 HD23 -0.10 0.07 -0.19 -0.04 0.89 0.63 3k9bB1 LYS 2111 H -0.05 0.20 0.10 -0.55 8.42 8.11 3k9bB1 LYS 2111 HA -0.05 0.11 0.68 -0.75 4.32 4.31 3k9bB1 LYS 2111 HB2 -0.06 0.01 -0.00 -0.04 1.87 1.78 3k9bB1 LYS 2111 HB3 -0.05 0.01 0.04 -0.04 1.79 1.74 3k9bB1 LYS 2111 HG2 -0.04 0.03 -0.09 -0.04 1.46 1.32 3k9bB1 LYS 2111 HG3 -0.04 0.03 -0.04 -0.04 1.46 1.37 3k9bB1 LYS 2111 HD2 -0.04 -0.03 -0.01 -0.04 1.69 1.58 3k9bB1 LYS 2111 HD3 -0.04 0.04 -0.16 -0.04 1.68 1.48 3k9bB1 LYS 2111 HE2 -0.03 0.05 -0.11 -0.04 2.99 2.87 3k9bB1 LYS 2111 HE3 -0.03 -0.00 -0.05 -0.04 2.99 2.87 3k9bB1 LEU 2112 H -0.06 0.14 0.15 -0.55 8.37 8.06 3k9bB1 LEU 2112 HA -0.11 0.24 0.91 -0.75 4.35 4.64 3k9bB1 LEU 2112 HB2 -0.08 -0.05 0.14 -0.04 1.64 1.62 3k9bB1 LEU 2112 HB3 -0.13 -0.03 -0.03 -0.04 1.64 1.41 3k9bB1 LEU 2112 HG -0.06 -0.01 -0.05 -0.04 1.64 1.48 3k9bB1 LEU 2112 HD13 -0.06 -0.03 0.06 -0.04 0.93 0.86 3k9bB1 LEU 2112 HD23 -0.09 0.03 -0.12 -0.04 0.89 0.67 3k9bB1 SER 2113 H -0.17 0.58 0.04 -0.55 8.46 8.37 3k9bB1 SER 2113 HA -0.16 0.03 0.42 -0.75 4.49 4.03 3k9bB1 SER 2113 HB2 -0.08 0.17 -0.15 -0.04 3.95 3.84 3k9bB1 SER 2113 HB3 -0.08 0.17 -0.28 -0.04 3.93 3.70 3k9bB1 GLU 2114 H -0.17 0.15 0.11 -0.55 8.60 8.14 3k9bB1 GLU 2114 HA -0.37 0.08 0.52 -0.75 4.29 3.76 3k9bB1 GLU 2114 HB2 -0.13 -0.03 0.03 -0.04 2.09 1.92 3k9bB1 GLU 2114 HB3 -0.16 0.16 0.01 -0.04 1.99 1.96 3k9bB1 GLU 2114 HG2 -0.61 0.04 0.04 -0.04 2.34 1.76 3k9bB1 GLU 2114 HG3 -0.26 -0.11 0.04 -0.04 2.34 1.97 3k9bB1 ASP 2115 H -0.10 -0.00 -0.25 -0.55 8.40 7.50 3k9bB1 ASP 2115 HA -0.09 0.07 0.48 -0.75 4.63 4.33 3k9bB1 ASP 2115 HB2 -0.05 -0.02 0.02 -0.04 2.71 2.62 3k9bB1 ASP 2115 HB3 -0.02 -0.02 0.10 -0.04 2.70 2.72 3k9bB1 CYS 2116 H -0.12 0.21 -0.02 -0.55 8.50 8.02 3k9bB1 CYS 2116 HA 0.21 0.23 0.58 -0.75 4.58 4.85 3k9bB1 CYS 2116 HB2 -0.01 -0.03 -0.12 -0.04 2.97 2.77 3k9bB1 CYS 2116 HB3 -0.06 0.13 -0.71 -0.04 2.97 2.28 3k9bB1 LEU 2117 H -0.35 0.06 -0.05 -0.55 8.37 7.48 3k9bB1 LEU 2117 HA -0.25 0.15 0.44 -0.75 4.35 3.94 3k9bB1 LEU 2117 HB2 -0.66 0.02 0.04 -0.04 1.64 1.01 3k9bB1 LEU 2117 HB3 -1.23 0.03 0.05 -0.04 1.64 0.44 3k9bB1 LEU 2117 HG -0.22 -0.06 0.01 -0.04 1.64 1.33 3k9bB1 LEU 2117 HD13 -0.16 0.05 -0.02 -0.04 0.93 0.76 3k9bB1 LEU 2117 HD23 0.02 0.01 -0.13 -0.04 0.89 0.75 3k9bB1 TYR 2118 H 0.06 0.55 0.15 -0.55 8.29 8.50 3k9bB1 TYR 2118 HA -0.13 0.29 0.83 -0.75 4.56 4.79 3k9bB1 TYR 2118 HB2 -0.03 -0.00 -0.13 -0.04 3.06 2.85 3k9bB1 TYR 2118 HB3 -0.06 -0.10 -0.08 -0.04 2.98 2.70 3k9bB1 TYR 2118 HD2 -0.13 0.00 -0.69 -0.04 7.15 6.30 3k9bB1 TYR 2118 HE2 -0.15 0.08 -0.32 -0.04 6.85 6.42 3k9bB1 LEU 2119 H 0.10 0.37 0.31 -0.55 8.37 8.61 3k9bB1 LEU 2119 HA 0.11 0.24 0.97 -0.75 4.35 4.92 3k9bB1 LEU 2119 HB2 -0.07 0.03 -0.05 -0.04 1.64 1.51 3k9bB1 LEU 2119 HB3 -0.04 -0.02 -0.12 -0.04 1.64 1.42 3k9bB1 LEU 2119 HG -0.31 0.18 0.03 -0.04 1.64 1.50 3k9bB1 LEU 2119 HD13 -0.48 -0.01 -0.34 -0.04 0.93 0.06 3k9bB1 LEU 2119 HD23 -0.76 -0.00 -0.15 -0.04 0.89 -0.06 3k9bB1 ASN 2120 H 0.10 0.58 0.37 -0.55 8.53 9.03 3k9bB1 ASN 2120 HA -0.01 0.27 1.14 -0.75 4.76 5.39 3k9bB1 ASN 2120 HB2 0.27 -0.03 0.11 -0.04 2.88 3.19 3k9bB1 ASN 2120 HB3 0.01 0.05 0.00 -0.04 2.79 2.82 3k9bB1 ASN 2120 HD21 0.23 -0.06 -0.13 -0.04 7.03 7.03 3k9bB1 ASN 2120 HD22 0.27 0.09 -0.20 -0.04 7.74 7.86 3k9bB1 ILE 2121 H -0.08 0.68 0.34 -0.55 8.25 8.64 3k9bB1 ILE 2121 HA 0.09 0.33 1.20 -0.75 4.18 5.04 3k9bB1 ILE 2121 HB 0.02 -0.06 0.10 -0.04 1.89 1.91 3k9bB1 ILE 2121 HG12 -0.12 0.05 -0.20 -0.04 1.49 1.18 3k9bB1 ILE 2121 HG13 -0.18 -0.08 -0.38 -0.04 1.21 0.53 3k9bB1 ILE 2121 HG23 -0.05 0.01 -0.19 -0.04 0.93 0.67 3k9bB1 ILE 2121 HD13 -0.76 0.00 -0.16 -0.04 0.88 -0.08 3k9bB1 TYR 2122 H 0.30 0.74 0.29 -0.55 8.29 9.07 3k9bB1 TYR 2122 HA 0.12 0.19 0.91 -0.75 4.56 5.03 3k9bB1 TYR 2122 HB2 0.11 -0.02 0.23 -0.04 3.06 3.34 3k9bB1 TYR 2122 HB3 0.08 0.05 -0.09 -0.04 2.98 2.98 3k9bB1 TYR 2122 HD2 0.09 0.15 -0.22 -0.04 7.15 7.13 3k9bB1 TYR 2122 HE2 0.10 0.04 -0.14 -0.04 6.85 6.81 3k9bB1 THR 2123 H 0.22 0.62 0.23 -0.55 8.28 8.80 3k9bB1 THR 2123 HA 0.19 0.29 1.18 -0.75 4.39 5.30 3k9bB1 THR 2123 HB 0.28 -0.05 -0.07 -0.04 4.32 4.44 3k9bB1 THR 2123 HG23 0.39 0.01 0.10 -0.04 1.22 1.68 3k9bB1 PRO 2124 HA 0.10 0.11 0.54 -0.51 4.44 4.69 3k9bB1 PRO 2124 HB2 0.06 0.01 -0.03 -0.04 2.28 2.28 3k9bB1 PRO 2124 HB3 0.03 -0.04 -0.22 -0.04 2.02 1.76 3k9bB1 PRO 2124 HG2 0.08 -0.00 -0.20 -0.04 2.03 1.87 3k9bB1 PRO 2124 HG3 0.08 0.23 0.02 -0.04 2.03 2.32 3k9bB1 PRO 2124 HD2 0.12 -0.18 0.10 -0.04 3.68 3.68 3k9bB1 PRO 2124 HD3 0.14 0.19 0.13 -0.04 3.65 4.07 3k9bB1 ALA 2125 H 0.14 0.07 -0.24 -0.55 8.40 7.83 3k9bB1 ALA 2125 HA 0.09 0.03 0.32 -0.75 4.34 4.03 3k9bB1 ALA 2125 HB3 0.12 0.05 -0.06 -0.04 1.41 1.48 3k9bB1 ASP 2126 H 0.08 0.16 0.02 -0.55 8.40 8.12 3k9bB1 ASP 2126 HA 0.12 0.16 0.72 -0.75 4.63 4.87 3k9bB1 ASP 2126 HB2 0.05 0.07 0.07 -0.04 2.71 2.86 3k9bB1 ASP 2126 HB3 0.05 0.00 0.16 -0.04 2.70 2.88 3k9bB1 LEU 2127 H 0.16 0.30 -0.09 -0.55 8.37 8.20 3k9bB1 LEU 2127 HA 0.07 0.15 0.19 -0.75 4.35 4.01 3k9bB1 LEU 2127 HB2 0.15 -0.07 -0.03 -0.04 1.64 1.64 3k9bB1 LEU 2127 HB3 0.06 0.05 0.03 -0.04 1.64 1.73 3k9bB1 LEU 2127 HG 0.20 0.10 -0.04 -0.04 1.64 1.87 3k9bB1 LEU 2127 HD13 0.21 -0.02 -0.09 -0.04 0.93 0.99 3k9bB1 LEU 2127 HD23 0.11 0.04 -0.18 -0.04 0.89 0.82 3k9bB1 THR 2128 H 0.08 0.02 -0.64 -0.55 8.28 7.19 3k9bB1 THR 2128 HA 0.04 0.10 0.49 -0.75 4.39 4.26 3k9bB1 THR 2128 HB 0.03 -0.03 0.16 -0.04 4.32 4.44 3k9bB1 THR 2128 HG23 0.07 -0.02 -0.03 -0.04 1.22 1.20 3k9bB1 LYS 2129 H 0.04 0.45 -0.62 -0.55 8.42 7.73 3k9bB1 LYS 2129 HA 0.02 -0.00 0.47 -0.75 4.32 4.05 3k9bB1 LYS 2129 HB2 0.03 0.08 -0.10 -0.04 1.87 1.84 3k9bB1 LYS 2129 HB3 0.02 -0.04 0.11 -0.04 1.79 1.84 3k9bB1 LYS 2129 HG2 0.02 -0.02 0.15 -0.04 1.46 1.57 3k9bB1 LYS 2129 HG3 0.03 0.02 -0.60 -0.04 1.46 0.87 3k9bB1 LYS 2129 HD2 0.02 -0.01 -0.06 -0.04 1.69 1.60 3k9bB1 LYS 2129 HD3 0.02 -0.02 0.00 -0.04 1.68 1.64 3k9bB1 LYS 2129 HE2 0.01 -0.02 0.01 -0.04 2.99 2.96 3k9bB1 LYS 2129 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.92 3k9bB1 LYS 2130 H 0.02 0.04 0.13 -0.55 8.42 8.05 3k9bB1 LYS 2130 HA 0.02 0.13 0.51 -0.75 4.32 4.22 3k9bB1 LYS 2130 HB2 0.01 -0.01 0.09 -0.04 1.87 1.91 3k9bB1 LYS 2130 HB3 0.01 -0.04 0.08 -0.04 1.79 1.80 3k9bB1 LYS 2130 HG2 0.01 -0.00 -0.24 -0.04 1.46 1.19 3k9bB1 LYS 2130 HG3 0.01 0.05 0.02 -0.04 1.46 1.51 3k9bB1 LYS 2130 HD2 0.00 -0.01 -0.01 -0.04 1.69 1.62 3k9bB1 LYS 2130 HD3 0.01 -0.04 -0.04 -0.04 1.68 1.56 3k9bB1 LYS 2130 HE2 0.01 -0.01 -0.09 -0.04 2.99 2.86 3k9bB1 LYS 2130 HE3 0.00 0.06 -0.06 -0.04 2.99 2.96 3k9bB1 ASN 2131 H 0.03 0.28 0.15 -0.55 8.53 8.45 3k9bB1 ASN 2131 HA 0.04 0.05 0.59 -0.75 4.76 4.68 3k9bB1 ASN 2131 HB2 0.06 0.01 -0.09 -0.04 2.88 2.82 3k9bB1 ASN 2131 HB3 0.07 0.14 -0.00 -0.04 2.79 2.95 3k9bB1 ASN 2131 HD21 0.06 -0.12 -0.05 -0.04 7.03 6.88 3k9bB1 ASN 2131 HD22 0.06 0.12 -0.34 -0.04 7.74 7.55 3k9bB1 ARG 2132 H 0.04 0.14 -0.03 -0.55 8.46 8.06 3k9bB1 ARG 2132 HA 0.05 0.25 0.60 -0.75 4.34 4.48 3k9bB1 ARG 2132 HB2 0.02 -0.02 0.09 -0.04 1.90 1.95 3k9bB1 ARG 2132 HB3 0.02 -0.00 0.12 -0.04 1.80 1.89 3k9bB1 ARG 2132 HG2 0.02 0.11 -0.15 -0.04 1.67 1.60 3k9bB1 ARG 2132 HG3 0.02 -0.10 -0.34 -0.04 1.67 1.21 3k9bB1 ARG 2132 HD2 0.01 -0.01 -0.04 -0.04 3.22 3.13 3k9bB1 ARG 2132 HD3 0.00 0.00 -0.02 -0.04 3.22 3.17 3k9bB1 LEU 2133 H 0.07 0.58 -0.01 -0.55 8.37 8.47 3k9bB1 LEU 2133 HA 0.06 0.08 0.56 -0.75 4.35 4.29 3k9bB1 LEU 2133 HB2 0.09 -0.01 0.07 -0.04 1.64 1.76 3k9bB1 LEU 2133 HB3 0.08 0.20 0.13 -0.04 1.64 2.01 3k9bB1 LEU 2133 HG 0.07 -0.10 0.04 -0.04 1.64 1.62 3k9bB1 LEU 2133 HD13 0.09 -0.01 -0.20 -0.04 0.93 0.77 3k9bB1 LEU 2133 HD23 0.06 0.05 0.03 -0.04 0.89 0.99 3k9bB1 PRO 2134 HA 0.07 0.15 0.62 -0.51 4.44 4.78 3k9bB1 PRO 2134 HB2 0.08 -0.05 -0.04 -0.04 2.28 2.22 3k9bB1 PRO 2134 HB3 0.06 0.24 0.09 -0.04 2.02 2.37 3k9bB1 PRO 2134 HG2 0.05 0.04 0.12 -0.04 2.03 2.20 3k9bB1 PRO 2134 HG3 0.03 0.04 0.11 -0.04 2.03 2.17 3k9bB1 PRO 2134 HD2 0.05 0.05 0.32 -0.04 3.68 4.06 3k9bB1 PRO 2134 HD3 0.04 0.20 -0.01 -0.04 3.65 3.84 3k9bB1 VAL 2135 H 0.12 0.67 0.43 -0.55 8.24 8.92 3k9bB1 VAL 2135 HA 0.15 0.19 1.17 -0.75 4.13 4.88 3k9bB1 VAL 2135 HB 0.14 -0.04 0.13 -0.04 2.12 2.31 3k9bB1 VAL 2135 HG13 0.14 -0.02 -0.15 -0.04 0.97 0.89 3k9bB1 VAL 2135 HG23 0.12 0.02 -0.19 -0.04 0.95 0.85 3k9bB1 MET 2136 H 0.21 0.74 0.28 -0.55 8.47 9.16 3k9bB1 MET 2136 HA 0.37 0.29 1.02 -0.75 4.52 5.45 3k9bB1 MET 2136 HB2 0.38 -0.05 0.06 -0.04 2.15 2.50 3k9bB1 MET 2136 HB3 1.15 -0.06 -0.09 -0.04 2.03 2.99 3k9bB1 MET 2136 HG2 0.25 0.09 -0.22 -0.04 2.63 2.71 3k9bB1 MET 2136 HG3 0.18 0.02 -0.36 -0.04 2.56 2.37 3k9bB1 MET 2136 HE3 -0.22 0.01 -0.26 -0.04 2.10 1.58 3k9bB1 VAL 2137 H 0.10 0.72 0.32 -0.55 8.24 8.83 3k9bB1 VAL 2137 HA 0.04 0.14 0.95 -0.75 4.13 4.51 3k9bB1 VAL 2137 HB -0.07 -0.01 0.17 -0.04 2.12 2.16 3k9bB1 VAL 2137 HG13 -0.07 -0.02 -0.16 -0.04 0.97 0.68 3k9bB1 VAL 2137 HG23 0.07 0.01 -0.08 -0.04 0.95 0.90 3k9bB1 TRP 2138 H 0.07 0.87 0.52 -0.55 7.97 8.89 3k9bB1 TRP 2138 HA -0.89 0.34 0.96 -0.75 4.62 4.28 3k9bB1 TRP 2138 HB2 -0.11 0.02 -0.02 -0.04 3.23 3.08 3k9bB1 TRP 2138 HB3 -0.05 0.00 0.20 -0.04 3.23 3.35 3k9bB1 TRP 2138 HD1 -0.28 -0.00 -0.05 -0.04 7.22 6.85 3k9bB1 TRP 2138 HE1 -2.34 -0.08 -0.06 -0.04 10.20 7.68 3k9bB1 TRP 2138 HE3 0.25 0.12 -0.19 -0.04 7.59 7.72 3k9bB1 TRP 2138 HZ2 -0.26 -0.07 -0.04 -0.04 7.44 7.02 3k9bB1 TRP 2138 HZ3 0.56 -0.00 -0.29 -0.04 7.13 7.35 3k9bB1 TRP 2138 HH2 0.14 -0.09 -0.15 -0.04 7.19 7.05 3k9bB1 ILE 2139 H -1.12 0.60 0.38 -0.55 8.25 7.56 3k9bB1 ILE 2139 HA -0.34 0.17 0.97 -0.75 4.18 4.22 3k9bB1 ILE 2139 HB -0.52 -0.02 0.16 -0.04 1.89 1.47 3k9bB1 ILE 2139 HG12 -0.27 0.04 -0.18 -0.04 1.49 1.04 3k9bB1 ILE 2139 HG13 -0.39 0.05 -0.24 -0.04 1.21 0.59 3k9bB1 ILE 2139 HG23 -0.37 0.02 -0.09 -0.04 0.93 0.44 3k9bB1 ILE 2139 HD13 -0.29 -0.01 -0.13 -0.04 0.88 0.41 3k9bB1 HIS 2140 H -0.18 0.23 0.06 -0.55 8.41 7.98 3k9bB1 HIS 2140 HA -0.53 -0.02 0.36 -0.75 4.63 3.68 3k9bB1 HIS 2140 HB2 0.36 -0.05 0.17 -0.04 3.26 3.69 3k9bB1 HIS 2140 HB3 0.09 0.08 0.06 -0.04 3.20 3.39 3k9bB1 HIS 2140 HD2 0.06 0.23 -0.03 -0.04 6.97 7.19 3k9bB1 HIS 2140 HE1 -0.18 0.12 -0.35 -0.04 7.75 7.29 3k9bB1 GLY 2141 H 0.37 0.10 0.23 -0.55 8.43 8.58 3k9bB1 GLY 2141 HA2 0.06 0.12 0.92 -0.51 4.01 4.60 3k9bB1 GLY 2141 HA3 0.19 0.07 0.50 -0.51 4.01 4.27 3k9bB1 GLY 2142 H 0.17 -0.33 0.35 -0.55 8.43 8.08 3k9bB1 GLY 2142 HA2 0.17 0.08 0.28 -0.51 4.01 4.02 3k9bB1 GLY 2142 HA3 0.20 0.46 0.66 -0.51 4.01 4.82 3k9bB1 GLY 2143 H 0.11 -0.24 0.32 -0.55 8.43 8.07 3k9bB1 GLY 2143 HA2 0.01 0.05 0.39 -0.51 4.01 3.95 3k9bB1 GLY 2143 HA3 0.02 0.17 0.42 -0.51 4.01 4.12 3k9bB1 LEU 2144 H 0.06 -0.06 -0.38 -0.55 8.37 7.45 3k9bB1 LEU 2144 HA 0.12 0.05 0.16 -0.75 4.35 3.93 3k9bB1 LEU 2144 HB2 -0.33 0.42 0.21 -0.04 1.64 1.90 3k9bB1 LEU 2144 HB3 -0.72 -0.02 0.20 -0.04 1.64 1.05 3k9bB1 LEU 2144 HG -0.17 -0.18 -0.22 -0.04 1.64 1.03 3k9bB1 LEU 2144 HD13 -0.63 0.04 0.05 -0.04 0.93 0.34 3k9bB1 LEU 2144 HD23 -0.11 0.01 -0.07 -0.04 0.89 0.67 3k9bB1 MET 2145 H 0.08 0.18 -0.25 -0.55 8.47 7.93 3k9bB1 MET 2145 HA 0.12 0.02 0.91 -0.75 4.52 4.82 3k9bB1 MET 2145 HB2 0.06 0.05 0.02 -0.04 2.15 2.24 3k9bB1 MET 2145 HB3 0.10 -0.09 0.01 -0.04 2.03 2.01 3k9bB1 MET 2145 HG2 -0.05 0.26 -0.42 -0.04 2.63 2.38 3k9bB1 MET 2145 HG3 -0.01 -0.06 -0.05 -0.04 2.56 2.40 3k9bB1 MET 2145 HE3 0.20 -0.04 0.04 -0.04 2.10 2.26 3k9bB1 VAL 2146 H 0.10 0.35 0.24 -0.55 8.24 8.38 3k9bB1 VAL 2146 HA 0.06 0.24 0.80 -0.75 4.13 4.47 3k9bB1 VAL 2146 HB 0.02 -0.10 0.11 -0.04 2.12 2.11 3k9bB1 VAL 2146 HG13 0.05 -0.02 -0.22 -0.04 0.97 0.74 3k9bB1 VAL 2146 HG23 0.06 0.05 -0.03 -0.04 0.95 0.98 3k9bB1 GLY 2147 H -0.02 0.10 0.10 -0.55 8.43 8.06 3k9bB1 GLY 2147 HA2 -0.04 -0.01 0.36 -0.51 4.01 3.81 3k9bB1 GLY 2147 HA3 0.03 0.31 0.91 -0.51 4.01 4.75 3k9bB1 ALA 2148 H -0.43 0.30 0.19 -0.55 8.40 7.91 3k9bB1 ALA 2148 HA -0.34 0.13 0.52 -0.75 4.34 3.89 3k9bB1 ALA 2148 HB3 -0.12 0.04 -0.10 -0.04 1.41 1.19 3k9bB1 ALA 2149 H 0.01 0.25 0.08 -0.55 8.40 8.19 3k9bB1 ALA 2149 HA 0.29 0.07 0.51 -0.75 4.34 4.45 3k9bB1 ALA 2149 HB3 0.19 0.08 -0.19 -0.04 1.41 1.45 3k9bB1 SER 2150 H 0.04 0.11 -0.14 -0.55 8.46 7.92 3k9bB1 SER 2150 HA 0.09 0.12 0.21 -0.75 4.49 4.15 3k9bB1 SER 2150 HB2 -0.13 -0.01 -0.12 -0.04 3.95 3.65 3k9bB1 SER 2150 HB3 -0.42 0.02 -0.01 -0.04 3.93 3.48 3k9bB1 THR 2151 H -0.00 0.13 -0.86 -0.55 8.28 7.00 3k9bB1 THR 2151 HA -0.23 0.06 0.43 -0.75 4.39 3.90 3k9bB1 THR 2151 HB -0.24 0.11 0.10 -0.04 4.32 4.25 3k9bB1 THR 2151 HG23 -0.63 0.01 -0.12 -0.04 1.22 0.43 3k9bB1 TYR 2152 H 0.22 0.30 -0.08 -0.55 8.29 8.18 3k9bB1 TYR 2152 HA -0.46 0.01 0.61 -0.75 4.56 3.96 3k9bB1 TYR 2152 HB2 -0.45 0.06 0.08 -0.04 3.06 2.71 3k9bB1 TYR 2152 HB3 -1.62 0.02 -0.08 -0.04 2.98 1.25 3k9bB1 TYR 2152 HD2 -0.59 0.11 0.03 -0.04 7.15 6.67 3k9bB1 TYR 2152 HE2 0.12 0.01 0.02 -0.04 6.85 6.95 3k9bB1 ASP 2153 H -0.27 0.12 0.14 -0.55 8.40 7.85 3k9bB1 ASP 2153 HA -0.19 0.14 0.65 -0.75 4.63 4.47 3k9bB1 ASP 2153 HB2 -0.07 0.10 -0.01 -0.04 2.71 2.69 3k9bB1 ASP 2153 HB3 -0.11 0.03 0.09 -0.04 2.70 2.66 3k9bB1 GLY 2154 H -1.37 0.25 0.02 -0.55 8.43 6.78 3k9bB1 GLY 2154 HA2 -0.09 0.15 0.59 -0.51 4.01 4.16 3k9bB1 GLY 2154 HA3 -0.40 0.10 0.25 -0.51 4.01 3.45 3k9bB1 LEU 2155 H -0.24 0.12 -0.45 -0.55 8.37 7.26 3k9bB1 LEU 2155 HA 0.08 0.13 0.36 -0.75 4.35 4.17 3k9bB1 LEU 2155 HB2 0.11 -0.00 -0.02 -0.04 1.64 1.69 3k9bB1 LEU 2155 HB3 0.00 -0.01 -0.00 -0.04 1.64 1.59 3k9bB1 LEU 2155 HG -0.00 0.02 -0.29 -0.04 1.64 1.33 3k9bB1 LEU 2155 HD13 0.09 0.01 -0.09 -0.04 0.93 0.90 3k9bB1 LEU 2155 HD23 0.06 0.01 -0.14 -0.04 0.89 0.79 3k9bB1 ALA 2156 H -0.05 0.16 -0.16 -0.55 8.40 7.81 3k9bB1 ALA 2156 HA 0.02 0.09 0.35 -0.75 4.34 4.04 3k9bB1 ALA 2156 HB3 -0.09 0.04 -0.03 -0.04 1.41 1.29 3k9bB1 LEU 2157 H -0.09 0.13 -0.22 -0.55 8.37 7.64 3k9bB1 LEU 2157 HA -0.14 0.05 0.28 -0.75 4.35 3.79 3k9bB1 LEU 2157 HB2 -0.25 0.09 0.04 -0.04 1.64 1.49 3k9bB1 LEU 2157 HB3 -0.09 -0.05 -0.01 -0.04 1.64 1.45 3k9bB1 LEU 2157 HG -0.04 0.05 -0.38 -0.04 1.64 1.23 3k9bB1 LEU 2157 HD13 -0.16 0.02 -0.03 -0.04 0.93 0.72 3k9bB1 LEU 2157 HD23 -0.23 0.00 -0.15 -0.04 0.89 0.48 3k9bB1 ALA 2158 H -0.02 0.27 -0.41 -0.55 8.40 7.69 3k9bB1 ALA 2158 HA 0.05 0.09 0.39 -0.75 4.34 4.11 3k9bB1 ALA 2158 HB3 0.09 0.00 0.08 -0.04 1.41 1.54 3k9bB1 ALA 2159 H -0.11 0.43 -0.12 -0.55 8.40 8.05 3k9bB1 ALA 2159 HA -0.19 0.05 0.41 -0.75 4.34 3.86 3k9bB1 ALA 2159 HB3 -0.73 -0.01 0.09 -0.04 1.41 0.72 3k9bB1 HIS 2160 H -0.12 0.61 -0.08 -0.55 8.41 8.28 3k9bB1 HIS 2160 HA 0.04 0.03 0.45 -0.75 4.63 4.41 3k9bB1 HIS 2160 HB2 -0.21 0.02 0.04 -0.04 3.26 3.08 3k9bB1 HIS 2160 HB3 -0.13 -0.05 -0.07 -0.04 3.20 2.91 3k9bB1 HIS 2160 HD2 -0.09 -0.02 -0.03 -0.04 6.97 6.79 3k9bB1 HIS 2160 HE1 -0.34 -0.04 -0.04 -0.04 7.75 7.29 3k9bB1 GLU 2161 H 0.02 0.58 -0.05 -0.55 8.60 8.60 3k9bB1 GLU 2161 HA 0.04 0.16 0.82 -0.75 4.29 4.56 3k9bB1 GLU 2161 HB2 0.00 0.08 -0.00 -0.04 2.09 2.12 3k9bB1 GLU 2161 HB3 0.03 -0.02 0.05 -0.04 1.99 2.01 3k9bB1 GLU 2161 HG2 -0.03 -0.11 -0.23 -0.04 2.34 1.92 3k9bB1 GLU 2161 HG3 -0.01 0.20 -0.25 -0.04 2.34 2.24 3k9bB1 ASN 2162 H 0.02 0.25 -0.45 -0.55 8.53 7.81 3k9bB1 ASN 2162 HA 0.04 0.12 0.36 -0.75 4.76 4.52 3k9bB1 ASN 2162 HB2 0.06 -0.00 -0.15 -0.04 2.88 2.75 3k9bB1 ASN 2162 HB3 0.05 0.11 -0.01 -0.04 2.79 2.90 3k9bB1 ASN 2162 HD21 0.05 -0.09 0.01 -0.04 7.03 6.96 3k9bB1 ASN 2162 HD22 0.05 0.00 0.03 -0.04 7.74 7.78 3k9bB1 VAL 2163 H 0.06 0.27 0.11 -0.55 8.24 8.12 3k9bB1 VAL 2163 HA 0.09 0.23 0.87 -0.75 4.13 4.56 3k9bB1 VAL 2163 HB 0.11 0.04 -0.12 -0.04 2.12 2.10 3k9bB1 VAL 2163 HG13 0.07 0.05 -0.31 -0.04 0.97 0.73 3k9bB1 VAL 2163 HG23 0.07 -0.04 -0.35 -0.04 0.95 0.59 3k9bB1 VAL 2164 H 0.13 0.68 0.23 -0.55 8.24 8.73 3k9bB1 VAL 2164 HA 0.17 0.25 0.99 -0.75 4.13 4.78 3k9bB1 VAL 2164 HB 0.14 -0.02 0.10 -0.04 2.12 2.30 3k9bB1 VAL 2164 HG13 0.16 -0.02 -0.22 -0.04 0.97 0.85 3k9bB1 VAL 2164 HG23 0.15 -0.01 -0.20 -0.04 0.95 0.85 3k9bB1 VAL 2165 H 0.22 0.56 0.35 -0.55 8.24 8.82 3k9bB1 VAL 2165 HA 0.24 0.31 1.01 -0.75 4.13 4.94 3k9bB1 VAL 2165 HB 0.21 -0.03 0.20 -0.04 2.12 2.46 3k9bB1 VAL 2165 HG13 0.25 -0.02 -0.16 -0.04 0.97 1.00 3k9bB1 VAL 2165 HG23 0.13 0.01 -0.14 -0.04 0.95 0.90 3k9bB1 VAL 2166 H 0.21 0.66 0.38 -0.55 8.24 8.95 3k9bB1 VAL 2166 HA 0.19 0.37 1.12 -0.75 4.13 5.06 3k9bB1 VAL 2166 HB 0.10 -0.06 0.08 -0.04 2.12 2.20 3k9bB1 VAL 2166 HG13 0.04 -0.00 -0.18 -0.04 0.97 0.79 3k9bB1 VAL 2166 HG23 0.12 0.02 -0.30 -0.04 0.95 0.74 3k9bB1 THR 2167 H 0.22 0.53 0.31 -0.55 8.28 8.79 3k9bB1 THR 2167 HA 0.25 0.19 1.14 -0.75 4.39 5.21 3k9bB1 THR 2167 HB 0.30 -0.03 0.13 -0.04 4.32 4.68 3k9bB1 THR 2167 HG23 0.26 0.05 -0.07 -0.04 1.22 1.42 3k9bB1 ILE 2168 H 0.08 0.49 0.29 -0.55 8.25 8.56 3k9bB1 ILE 2168 HA 0.09 0.18 1.07 -0.75 4.18 4.78 3k9bB1 ILE 2168 HB -0.09 0.07 0.06 -0.04 1.89 1.89 3k9bB1 ILE 2168 HG12 -0.06 0.18 0.06 -0.04 1.49 1.63 3k9bB1 ILE 2168 HG13 0.05 -0.11 -0.15 -0.04 1.21 0.96 3k9bB1 ILE 2168 HG23 -0.12 0.00 -0.14 -0.04 0.93 0.63 3k9bB1 ILE 2168 HD13 -0.13 -0.01 -0.11 -0.04 0.88 0.59 3k9bB1 GLN 2169 H 0.27 0.42 0.31 -0.55 8.47 8.93 3k9bB1 GLN 2169 HA 0.22 0.07 0.87 -0.75 4.36 4.76 3k9bB1 GLN 2169 HB2 0.19 0.14 0.24 -0.04 2.15 2.68 3k9bB1 GLN 2169 HB3 0.08 -0.01 0.11 -0.04 2.02 2.16 3k9bB1 GLN 2169 HG2 0.08 -0.22 0.07 -0.04 2.40 2.29 3k9bB1 GLN 2169 HG3 0.16 0.04 -0.24 -0.04 2.39 2.31 3k9bB1 GLN 2169 HE21 0.10 0.16 -0.01 -0.04 6.97 7.18 3k9bB1 GLN 2169 HE22 0.15 0.20 0.16 -0.04 7.69 8.16 3k9bB1 TYR 2170 H -0.24 0.27 0.13 -0.55 8.29 7.90 3k9bB1 TYR 2170 HA 0.15 0.12 0.61 -0.75 4.56 4.68 3k9bB1 TYR 2170 HB2 0.05 0.08 0.14 -0.04 3.06 3.29 3k9bB1 TYR 2170 HB3 0.06 0.04 -0.16 -0.04 2.98 2.89 3k9bB1 TYR 2170 HD2 0.03 0.10 -0.33 -0.04 7.15 6.90 3k9bB1 TYR 2170 HE2 -0.27 -0.04 -0.17 -0.04 6.85 6.33 3k9bB1 ARG 2171 H 0.17 0.14 0.10 -0.55 8.46 8.31 3k9bB1 ARG 2171 HA 0.03 0.05 0.42 -0.75 4.34 4.08 3k9bB1 ARG 2171 HB2 0.09 -0.04 -0.03 -0.04 1.90 1.88 3k9bB1 ARG 2171 HB3 0.16 0.02 -0.39 -0.04 1.80 1.54 3k9bB1 ARG 2171 HG2 0.00 0.00 -0.02 -0.04 1.67 1.62 3k9bB1 ARG 2171 HG3 0.04 -0.07 -0.01 -0.04 1.67 1.59 3k9bB1 ARG 2171 HD2 0.07 0.21 -0.01 -0.04 3.22 3.45 3k9bB1 ARG 2171 HD3 -0.02 0.04 0.05 -0.04 3.22 3.25 3k9bB1 LEU 2172 H 0.14 0.16 0.09 -0.55 8.37 8.21 3k9bB1 LEU 2172 HA 0.45 0.21 0.75 -0.75 4.35 5.01 3k9bB1 LEU 2172 HB2 0.16 0.16 -0.19 -0.04 1.64 1.72 3k9bB1 LEU 2172 HB3 0.19 -0.08 -0.35 -0.04 1.64 1.36 3k9bB1 LEU 2172 HG -0.04 0.01 -0.22 -0.04 1.64 1.36 3k9bB1 LEU 2172 HD13 0.02 0.01 -0.45 -0.04 0.93 0.47 3k9bB1 LEU 2172 HD23 -0.05 -0.01 -0.44 -0.04 0.89 0.35 3k9bB1 GLY 2173 H 0.32 0.60 0.21 -0.55 8.43 9.02 3k9bB1 GLY 2173 HA2 0.18 0.22 0.39 -0.51 4.01 4.29 3k9bB1 GLY 2173 HA3 0.34 -0.02 0.44 -0.51 4.01 4.26 3k9bB1 ILE 2174 H 0.18 0.17 0.19 -0.55 8.25 8.24 3k9bB1 ILE 2174 HA 0.21 0.04 0.36 -0.75 4.18 4.03 3k9bB1 ILE 2174 HB -0.70 -0.02 0.13 -0.04 1.89 1.26 3k9bB1 ILE 2174 HG12 0.10 0.03 0.06 -0.04 1.49 1.64 3k9bB1 ILE 2174 HG13 0.05 -0.04 0.14 -0.04 1.21 1.32 3k9bB1 ILE 2174 HG23 -0.12 0.01 -0.10 -0.04 0.93 0.69 3k9bB1 ILE 2174 HD13 -0.13 0.04 0.01 -0.04 0.88 0.76 3k9bB1 TRP 2175 H 0.41 0.15 -0.09 -0.55 7.97 7.89 3k9bB1 TRP 2175 HA 0.08 0.05 0.36 -0.75 4.62 4.36 3k9bB1 TRP 2175 HB2 0.05 0.21 0.11 -0.04 3.23 3.55 3k9bB1 TRP 2175 HB3 -0.04 -0.02 0.05 -0.04 3.23 3.17 3k9bB1 TRP 2175 HD1 -0.21 0.07 0.06 -0.04 7.22 7.09 3k9bB1 TRP 2175 HE1 -0.08 -0.02 -0.01 -0.04 10.20 10.05 3k9bB1 TRP 2175 HE3 0.09 0.15 -0.00 -0.04 7.59 7.79 3k9bB1 TRP 2175 HZ2 0.00 0.06 -0.00 -0.04 7.44 7.46 3k9bB1 TRP 2175 HZ3 0.08 -0.01 -0.16 -0.04 7.13 7.00 3k9bB1 TRP 2175 HH2 0.04 -0.05 -0.31 -0.04 7.19 6.83 3k9bB1 GLY 2176 H 0.36 0.49 -0.69 -0.55 8.43 8.06 3k9bB1 GLY 2176 HA2 0.21 0.19 0.84 -0.51 4.01 4.74 3k9bB1 GLY 2176 HA3 -0.11 0.08 -0.13 -0.51 4.01 3.34 3k9bB1 PHE 2177 H 0.35 0.42 -0.12 -0.55 8.34 8.43 3k9bB1 PHE 2177 HA -0.01 -0.11 0.76 -0.75 4.62 4.51 3k9bB1 PHE 2177 HB2 0.05 0.17 -0.20 -0.04 3.15 3.13 3k9bB1 PHE 2177 HB3 -0.04 -0.03 -0.06 -0.04 3.06 2.89 3k9bB1 PHE 2177 HD2 -0.01 0.01 -0.18 -0.04 7.28 7.06 3k9bB1 PHE 2177 HE2 -0.25 -0.00 -0.02 -0.04 7.38 7.07 3k9bB1 PHE 2177 HZ -0.34 -0.01 -0.12 -0.04 7.32 6.80 3k9bB1 PHE 2178 H 0.56 0.39 0.09 -0.55 8.34 8.83 3k9bB1 PHE 2178 HA 0.07 0.01 0.43 -0.75 4.62 4.37 3k9bB1 PHE 2178 HB2 0.02 0.00 0.16 -0.04 3.15 3.28 3k9bB1 PHE 2178 HB3 0.05 0.02 0.09 -0.04 3.06 3.19 3k9bB1 PHE 2178 HD2 -0.18 -0.01 -0.13 -0.04 7.28 6.91 3k9bB1 PHE 2178 HE2 -0.13 0.00 -0.12 -0.04 7.38 7.09 3k9bB1 PHE 2178 HZ -0.11 -0.06 -0.19 -0.04 7.32 6.92 3k9bB1 SER 2179 H -0.60 0.18 0.22 -0.55 8.46 7.72 3k9bB1 SER 2179 HA -0.21 0.30 0.79 -0.75 4.49 4.61 3k9bB1 SER 2179 HB2 -0.20 0.02 -0.08 -0.04 3.95 3.65 3k9bB1 SER 2179 HB3 -0.19 -0.03 0.09 -0.04 3.93 3.76 3k9bB1 THR 2180 H -0.13 0.57 0.25 -0.55 8.28 8.42 3k9bB1 THR 2180 HA -0.20 0.19 0.84 -0.75 4.39 4.47 3k9bB1 THR 2180 HB 0.02 -0.08 0.08 -0.04 4.32 4.30 3k9bB1 THR 2180 HG23 0.05 0.04 -0.18 -0.04 1.22 1.08 3k9bB1 GLY 2181 H -0.10 0.26 0.11 -0.55 8.43 8.15 3k9bB1 GLY 2181 HA2 -0.07 0.13 0.35 -0.51 4.01 3.91 3k9bB1 GLY 2181 HA3 -0.05 0.01 0.52 -0.51 4.01 3.98 3k9bB1 ASP 2182 H -0.01 0.06 -0.28 -0.55 8.40 7.62 3k9bB1 ASP 2182 HA -0.03 0.29 0.70 -0.75 4.63 4.84 3k9bB1 ASP 2182 HB2 -0.05 -0.06 0.14 -0.04 2.71 2.70 3k9bB1 ASP 2182 HB3 -0.00 0.16 -0.14 -0.04 2.70 2.68 3k9bB1 GLU 2183 H -0.12 0.21 0.11 -0.55 8.60 8.25 3k9bB1 GLU 2183 HA -0.02 0.11 0.32 -0.75 4.29 3.96 3k9bB1 GLU 2183 HB2 -0.07 0.08 0.18 -0.04 2.09 2.24 3k9bB1 GLU 2183 HB3 -0.08 0.05 0.14 -0.04 1.99 2.05 3k9bB1 GLU 2183 HG2 -0.53 0.01 -0.23 -0.04 2.34 1.54 3k9bB1 GLU 2183 HG3 -0.16 0.05 0.01 -0.04 2.34 2.20 3k9bB1 HIS 2184 H -0.00 0.03 -0.83 -0.55 8.41 7.06 3k9bB1 HIS 2184 HA 0.10 0.27 0.82 -0.75 4.63 5.07 3k9bB1 HIS 2184 HB2 0.08 -0.06 -0.14 -0.04 3.26 3.09 3k9bB1 HIS 2184 HB3 0.09 0.06 -0.01 -0.04 3.20 3.30 3k9bB1 HIS 2184 HD2 0.03 -0.04 -0.03 -0.04 6.97 6.88 3k9bB1 HIS 2184 HE1 0.03 0.06 -0.04 -0.04 7.75 7.76 3k9bB1 SER 2185 H 0.17 0.33 -0.18 -0.55 8.46 8.23 3k9bB1 SER 2185 HA 0.69 0.21 0.34 -0.75 4.49 4.97 3k9bB1 SER 2185 HB2 0.33 0.27 -0.11 -0.04 3.95 4.41 3k9bB1 SER 2185 HB3 0.23 -0.27 -0.02 -0.04 3.93 3.83 3k9bB1 ARG 2186 H 0.24 0.20 0.05 -0.55 8.46 8.39 3k9bB1 ARG 2186 HA -0.07 -0.00 0.39 -0.75 4.34 3.91 3k9bB1 ARG 2186 HB2 -0.19 0.03 0.10 -0.04 1.90 1.79 3k9bB1 ARG 2186 HB3 -0.16 -0.03 -0.03 -0.04 1.80 1.54 3k9bB1 ARG 2186 HG2 -0.02 -0.01 -0.11 -0.04 1.67 1.48 3k9bB1 ARG 2186 HG3 0.06 -0.03 0.01 -0.04 1.67 1.67 3k9bB1 ARG 2186 HD2 0.02 0.01 -0.05 -0.04 3.22 3.16 3k9bB1 ARG 2186 HD3 -0.04 -0.01 -0.10 -0.04 3.22 3.03 3k9bB1 GLY 2187 H -1.38 0.15 -0.10 -0.55 8.43 6.56 3k9bB1 GLY 2187 HA2 -1.12 0.23 0.04 -0.51 4.01 2.65 3k9bB1 GLY 2187 HA3 -0.47 0.21 0.80 -0.51 4.01 4.04 3k9bB1 ASN 2188 H -0.31 0.27 0.07 -0.55 8.53 8.02 3k9bB1 ASN 2188 HA -0.07 0.04 0.36 -0.75 4.76 4.34 3k9bB1 ASN 2188 HB2 -0.19 0.18 -0.09 -0.04 2.88 2.74 3k9bB1 ASN 2188 HB3 0.07 -0.07 0.19 -0.04 2.79 2.94 3k9bB1 ASN 2188 HD21 -0.06 0.48 0.14 -0.04 7.03 7.54 3k9bB1 ASN 2188 HD22 -0.11 -0.11 -0.08 -0.04 7.74 7.40 3k9bB1 TRP 2189 H -0.81 0.13 -0.42 -0.55 7.97 6.32 3k9bB1 TRP 2189 HA -0.01 0.10 0.28 -0.75 4.62 4.23 3k9bB1 TRP 2189 HB2 -0.11 -0.05 0.04 -0.04 3.23 3.08 3k9bB1 TRP 2189 HB3 0.00 0.10 0.01 -0.04 3.23 3.30 3k9bB1 TRP 2189 HD1 0.19 -0.10 -0.42 -0.04 7.22 6.85 3k9bB1 TRP 2189 HE1 0.28 0.28 -0.07 -0.04 10.20 10.64 3k9bB1 TRP 2189 HE3 0.05 0.02 -0.37 -0.04 7.59 7.25 3k9bB1 TRP 2189 HZ2 0.13 -0.10 -0.09 -0.04 7.44 7.34 3k9bB1 TRP 2189 HZ3 0.06 -0.00 -0.14 -0.04 7.13 7.01 3k9bB1 TRP 2189 HH2 0.08 -0.12 -0.03 -0.04 7.19 7.08 3k9bB1 GLY 2190 H -0.65 0.85 0.03 -0.55 8.43 8.11 3k9bB1 GLY 2190 HA2 0.02 -0.09 0.46 -0.51 4.01 3.89 3k9bB1 GLY 2190 HA3 -0.45 0.20 0.26 -0.51 4.01 3.51 3k9bB1 HIS 2191 H -0.13 0.12 -0.25 -0.55 8.41 7.61 3k9bB1 HIS 2191 HA -0.08 0.06 0.46 -0.75 4.63 4.31 3k9bB1 HIS 2191 HB2 -0.02 0.08 0.10 -0.04 3.26 3.38 3k9bB1 HIS 2191 HB3 -0.03 0.03 0.00 -0.04 3.20 3.16 3k9bB1 HIS 2191 HD2 0.12 -0.06 0.06 -0.04 6.97 7.05 3k9bB1 HIS 2191 HE1 -0.12 -0.01 -0.08 -0.04 7.75 7.49 3k9bB1 LEU 2192 H 0.08 0.43 -0.36 -0.55 8.37 7.97 3k9bB1 LEU 2192 HA 0.09 0.06 0.55 -0.75 4.35 4.29 3k9bB1 LEU 2192 HB2 0.18 0.22 0.18 -0.04 1.64 2.19 3k9bB1 LEU 2192 HB3 0.15 -0.01 0.08 -0.04 1.64 1.82 3k9bB1 LEU 2192 HG 0.06 0.19 0.04 -0.04 1.64 1.89 3k9bB1 LEU 2192 HD13 0.23 -0.02 -0.02 -0.04 0.93 1.09 3k9bB1 LEU 2192 HD23 0.07 -0.03 -0.03 -0.04 0.89 0.86 3k9bB1 ASP 2193 H 0.12 0.33 -0.15 -0.55 8.40 8.16 3k9bB1 ASP 2193 HA 0.25 0.09 0.52 -0.75 4.63 4.74 3k9bB1 ASP 2193 HB2 0.25 0.07 0.21 -0.04 2.71 3.20 3k9bB1 ASP 2193 HB3 0.42 0.04 0.11 -0.04 2.70 3.23 3k9bB1 GLN 2194 H 0.04 0.31 -0.20 -0.55 8.47 8.07 3k9bB1 GLN 2194 HA -0.10 0.03 0.29 -0.75 4.36 3.83 3k9bB1 GLN 2194 HB2 -0.05 0.20 0.09 -0.04 2.15 2.35 3k9bB1 GLN 2194 HB3 -0.14 0.00 -0.07 -0.04 2.02 1.77 3k9bB1 GLN 2194 HG2 -0.32 -0.03 -0.09 -0.04 2.40 1.92 3k9bB1 GLN 2194 HG3 -0.28 0.13 0.02 -0.04 2.39 2.22 3k9bB1 GLN 2194 HE21 -0.53 -0.06 -0.10 -0.04 6.97 6.24 3k9bB1 GLN 2194 HE22 -1.46 -0.00 -0.14 -0.04 7.69 6.04 3k9bB1 VAL 2195 H 0.03 0.28 -0.42 -0.55 8.24 7.57 3k9bB1 VAL 2195 HA 0.01 0.08 0.45 -0.75 4.13 3.92 3k9bB1 VAL 2195 HB 0.06 0.08 0.14 -0.04 2.12 2.35 3k9bB1 VAL 2195 HG13 0.06 0.01 -0.21 -0.04 0.97 0.78 3k9bB1 VAL 2195 HG23 0.04 0.00 -0.05 -0.04 0.95 0.90 3k9bB1 ALA 2196 H 0.07 0.45 -0.16 -0.55 8.40 8.22 3k9bB1 ALA 2196 HA 0.12 0.04 0.42 -0.75 4.34 4.16 3k9bB1 ALA 2196 HB3 0.23 0.03 0.10 -0.04 1.41 1.73 3k9bB1 ALA 2197 H -0.22 0.68 -0.20 -0.55 8.40 8.11 3k9bB1 ALA 2197 HA -0.70 0.02 0.44 -0.75 4.34 3.35 3k9bB1 ALA 2197 HB3 -0.78 0.03 0.03 -0.04 1.41 0.65 3k9bB1 LEU 2198 H -0.07 0.43 -0.27 -0.55 8.37 7.91 3k9bB1 LEU 2198 HA 0.03 -0.01 0.41 -0.75 4.35 4.02 3k9bB1 LEU 2198 HB2 0.02 0.15 0.20 -0.04 1.64 1.97 3k9bB1 LEU 2198 HB3 0.06 0.03 0.02 -0.04 1.64 1.71 3k9bB1 LEU 2198 HG -0.07 0.13 0.04 -0.04 1.64 1.70 3k9bB1 LEU 2198 HD13 0.01 -0.02 -0.09 -0.04 0.93 0.79 3k9bB1 LEU 2198 HD23 -0.01 -0.00 -0.04 -0.04 0.89 0.79 3k9bB1 ARG 2199 H 0.07 0.32 -0.40 -0.55 8.46 7.90 3k9bB1 ARG 2199 HA 0.06 0.13 0.68 -0.75 4.34 4.45 3k9bB1 ARG 2199 HB2 0.12 0.08 0.10 -0.04 1.90 2.16 3k9bB1 ARG 2199 HB3 0.07 -0.08 0.07 -0.04 1.80 1.82 3k9bB1 ARG 2199 HG2 0.04 0.00 -0.01 -0.04 1.67 1.67 3k9bB1 ARG 2199 HG3 0.06 0.28 0.03 -0.04 1.67 2.00 3k9bB1 ARG 2199 HD2 0.05 0.03 -0.05 -0.04 3.22 3.21 3k9bB1 ARG 2199 HD3 0.08 -0.04 -0.08 -0.04 3.22 3.14 3k9bB1 TRP 2200 H 0.27 0.37 -0.32 -0.55 7.97 7.74 3k9bB1 TRP 2200 HA 0.10 0.03 0.48 -0.75 4.62 4.48 3k9bB1 TRP 2200 HB2 0.15 0.14 0.17 -0.04 3.23 3.65 3k9bB1 TRP 2200 HB3 0.02 0.14 0.13 -0.04 3.23 3.48 3k9bB1 TRP 2200 HD1 0.30 0.05 0.07 -0.04 7.22 7.61 3k9bB1 TRP 2200 HE1 0.41 -0.00 -0.03 -0.04 10.20 10.53 3k9bB1 TRP 2200 HE3 0.01 0.10 -0.52 -0.04 7.59 7.14 3k9bB1 TRP 2200 HZ2 0.26 -0.02 -0.12 -0.04 7.44 7.52 3k9bB1 TRP 2200 HZ3 -0.16 0.00 -0.21 -0.04 7.13 6.72 3k9bB1 TRP 2200 HH2 -0.20 0.01 -0.19 -0.04 7.19 6.76 3k9bB1 VAL 2201 H 0.26 0.36 -0.35 -0.55 8.24 7.97 3k9bB1 VAL 2201 HA 0.21 -0.05 0.42 -0.75 4.13 3.96 3k9bB1 VAL 2201 HB 0.13 0.25 0.13 -0.04 2.12 2.58 3k9bB1 VAL 2201 HG13 0.12 -0.01 -0.15 -0.04 0.97 0.89 3k9bB1 VAL 2201 HG23 0.25 0.04 -0.04 -0.04 0.95 1.16 3k9bB1 GLN 2202 H 0.05 0.39 -0.15 -0.55 8.47 8.21 3k9bB1 GLN 2202 HA 0.01 0.04 0.39 -0.75 4.36 4.05 3k9bB1 GLN 2202 HB2 0.02 0.14 0.21 -0.04 2.15 2.48 3k9bB1 GLN 2202 HB3 -0.00 0.06 0.14 -0.04 2.02 2.18 3k9bB1 GLN 2202 HG2 -0.02 -0.07 -0.16 -0.04 2.40 2.11 3k9bB1 GLN 2202 HG3 0.01 0.01 0.07 -0.04 2.39 2.45 3k9bB1 GLN 2202 HE21 -0.01 -0.02 -0.00 -0.04 6.97 6.90 3k9bB1 GLN 2202 HE22 -0.00 -0.08 -0.01 -0.04 7.69 7.55 3k9bB1 ASP 2203 H -0.12 0.36 -0.34 -0.55 8.40 7.75 3k9bB1 ASP 2203 HA -0.13 0.11 0.60 -0.75 4.63 4.46 3k9bB1 ASP 2203 HB2 -0.26 0.06 0.09 -0.04 2.71 2.56 3k9bB1 ASP 2203 HB3 -0.20 -0.09 0.10 -0.04 2.70 2.47 3k9bB1 ASN 2204 H -0.43 0.32 -0.20 -0.55 8.53 7.68 3k9bB1 ASN 2204 HA -0.29 0.22 1.17 -0.75 4.76 5.10 3k9bB1 ASN 2204 HB2 -2.07 0.14 0.00 -0.04 2.88 0.91 3k9bB1 ASN 2204 HB3 -0.54 -0.11 0.03 -0.04 2.79 2.13 3k9bB1 ASN 2204 HD21 -0.96 -0.07 -0.00 -0.04 7.03 5.96 3k9bB1 ASN 2204 HD22 -2.31 0.54 0.13 -0.04 7.74 6.06 3k9bB1 ILE 2205 H -0.15 0.70 0.19 -0.55 8.25 8.43 3k9bB1 ILE 2205 HA 0.18 -0.01 0.23 -0.75 4.18 3.82 3k9bB1 ILE 2205 HB 0.08 0.04 0.13 -0.04 1.89 2.10 3k9bB1 ILE 2205 HG12 0.12 0.04 -0.14 -0.04 1.49 1.47 3k9bB1 ILE 2205 HG13 0.14 -0.08 -0.14 -0.04 1.21 1.08 3k9bB1 ILE 2205 HG23 0.06 0.06 -0.31 -0.04 0.93 0.70 3k9bB1 ILE 2205 HD13 0.11 -0.02 -0.08 -0.04 0.88 0.85 3k9bB1 ALA 2206 H 0.00 0.18 -0.39 -0.55 8.40 7.65 3k9bB1 ALA 2206 HA 0.06 0.34 0.53 -0.75 4.34 4.53 3k9bB1 ALA 2206 HB3 -0.00 -0.00 0.10 -0.04 1.41 1.46 3k9bB1 SER 2207 H 0.05 0.63 -0.29 -0.55 8.46 8.30 3k9bB1 SER 2207 HA -0.10 0.07 0.53 -0.75 4.49 4.24 3k9bB1 SER 2207 HB2 -0.22 0.07 -0.01 -0.04 3.95 3.74 3k9bB1 SER 2207 HB3 -0.31 -0.15 0.12 -0.04 3.93 3.55 3k9bB1 PHE 2208 H 0.25 0.52 -0.44 -0.55 8.34 8.11 3k9bB1 PHE 2208 HA 0.03 0.14 0.80 -0.75 4.62 4.84 3k9bB1 PHE 2208 HB2 0.07 0.12 0.00 -0.04 3.15 3.31 3k9bB1 PHE 2208 HB3 0.09 -0.06 0.07 -0.04 3.06 3.11 3k9bB1 PHE 2208 HD2 -0.14 0.05 -0.15 -0.04 7.28 7.00 3k9bB1 PHE 2208 HE2 -0.82 -0.02 -0.18 -0.04 7.38 6.32 3k9bB1 PHE 2208 HZ -0.01 -0.02 -0.17 -0.04 7.32 7.08 3k9bB1 GLY 2209 H 0.09 0.37 -0.17 -0.55 8.43 8.18 3k9bB1 GLY 2209 HA2 0.07 0.11 0.34 -0.51 4.01 4.03 3k9bB1 GLY 2209 HA3 0.12 -0.02 0.49 -0.51 4.01 4.09 3k9bB1 GLY 2210 H 0.14 0.19 -0.05 -0.55 8.43 8.16 3k9bB1 GLY 2210 HA2 0.10 0.32 0.82 -0.51 4.01 4.74 3k9bB1 GLY 2210 HA3 0.12 -0.02 0.07 -0.51 4.01 3.67 3k9bB1 ASN 2211 H 0.07 0.72 -0.03 -0.55 8.53 8.74 3k9bB1 ASN 2211 HA 0.03 0.15 0.78 -0.75 4.76 4.98 3k9bB1 ASN 2211 HB2 0.03 0.00 0.01 -0.04 2.88 2.88 3k9bB1 ASN 2211 HB3 0.04 0.15 -0.00 -0.04 2.79 2.93 3k9bB1 ASN 2211 HD21 -0.04 0.01 -0.12 -0.04 7.03 6.83 3k9bB1 ASN 2211 HD22 -0.00 0.15 -0.03 -0.04 7.74 7.81 3k9bB1 PRO 2212 HA 0.08 0.09 0.29 -0.51 4.44 4.39 3k9bB1 PRO 2212 HB2 0.03 0.06 0.08 -0.04 2.28 2.41 3k9bB1 PRO 2212 HB3 0.02 0.08 0.11 -0.04 2.02 2.19 3k9bB1 PRO 2212 HG2 0.00 0.02 0.02 -0.04 2.03 2.04 3k9bB1 PRO 2212 HG3 0.01 0.02 0.11 -0.04 2.03 2.12 3k9bB1 PRO 2212 HD2 0.01 -0.05 0.02 -0.04 3.68 3.63 3k9bB1 PRO 2212 HD3 0.02 0.15 0.25 -0.04 3.65 4.02 3k9bB1 GLY 2213 H 0.01 -0.00 -0.63 -0.55 8.43 7.27 3k9bB1 GLY 2213 HA2 -0.04 0.17 0.54 -0.51 4.01 4.17 3k9bB1 GLY 2213 HA3 -0.10 -0.04 0.22 -0.51 4.01 3.59 3k9bB1 SER 2214 H 0.05 0.46 -0.36 -0.55 8.46 8.07 3k9bB1 SER 2214 HA -0.01 0.19 0.85 -0.75 4.49 4.77 3k9bB1 SER 2214 HB2 -0.03 -0.02 -0.03 -0.04 3.95 3.83 3k9bB1 SER 2214 HB3 0.03 -0.04 0.22 -0.04 3.93 4.09 3k9bB1 VAL 2215 H 0.66 0.18 -0.07 -0.55 8.24 8.47 3k9bB1 VAL 2215 HA 0.17 0.24 1.12 -0.75 4.13 4.90 3k9bB1 VAL 2215 HB 0.12 0.01 0.13 -0.04 2.12 2.34 3k9bB1 VAL 2215 HG13 0.12 -0.02 -0.10 -0.04 0.97 0.93 3k9bB1 VAL 2215 HG23 0.14 -0.01 -0.18 -0.04 0.95 0.86 3k9bB1 THR 2216 H 0.18 0.79 0.42 -0.55 8.28 9.13 3k9bB1 THR 2216 HA 0.20 0.16 1.04 -0.75 4.39 5.03 3k9bB1 THR 2216 HB 0.30 -0.08 0.07 -0.04 4.32 4.57 3k9bB1 THR 2216 HG23 0.28 -0.02 -0.28 -0.04 1.22 1.16 3k9bB1 ILE 2217 H 0.07 0.55 0.32 -0.55 8.25 8.64 3k9bB1 ILE 2217 HA -0.08 0.28 1.08 -0.75 4.18 4.71 3k9bB1 ILE 2217 HB -0.28 -0.05 0.06 -0.04 1.89 1.58 3k9bB1 ILE 2217 HG12 -0.43 0.25 0.25 -0.04 1.49 1.52 3k9bB1 ILE 2217 HG13 -0.25 -0.19 0.06 -0.04 1.21 0.79 3k9bB1 ILE 2217 HG23 -0.22 0.01 -0.09 -0.04 0.93 0.58 3k9bB1 ILE 2217 HD13 -0.98 -0.00 -0.04 -0.04 0.88 -0.18 3k9bB1 PHE 2218 H -0.40 0.58 0.36 -0.55 8.34 8.33 3k9bB1 PHE 2218 HA -0.04 0.24 0.74 -0.75 4.62 4.80 3k9bB1 PHE 2218 HB2 0.21 -0.07 0.05 -0.04 3.15 3.30 3k9bB1 PHE 2218 HB3 0.08 0.10 -0.13 -0.04 3.06 3.07 3k9bB1 PHE 2218 HD2 0.69 -0.02 -0.42 -0.04 7.28 7.49 3k9bB1 PHE 2218 HE2 0.20 -0.07 -0.22 -0.04 7.38 7.26 3k9bB1 PHE 2218 HZ 0.16 0.03 -0.23 -0.04 7.32 7.24 3k9bB1 GLY 2219 H 0.00 0.51 0.38 -0.55 8.43 8.78 3k9bB1 GLY 2219 HA2 -1.78 0.02 0.48 -0.51 4.01 2.21 3k9bB1 GLY 2219 HA3 -0.70 0.27 0.32 -0.51 4.01 3.40 3k9bB1 GLU 2220 H -0.43 0.24 0.11 -0.55 8.60 7.97 3k9bB1 GLU 2220 HA 0.03 0.40 1.09 -0.75 4.29 5.05 3k9bB1 GLU 2220 HB2 0.27 -0.01 -0.09 -0.04 2.09 2.22 3k9bB1 GLU 2220 HB3 0.16 -0.05 0.06 -0.04 1.99 2.11 3k9bB1 GLU 2220 HG2 -0.01 0.60 0.19 -0.04 2.34 3.07 3k9bB1 GLU 2220 HG3 -0.06 -0.17 -0.02 -0.04 2.34 2.05 3k9bB1 SER 2221 H 0.09 0.59 0.24 -0.55 8.46 8.83 3k9bB1 SER 2221 HA 0.32 0.31 0.50 -0.75 4.49 4.87 3k9bB1 SER 2221 HB2 0.36 0.06 0.03 -0.04 3.95 4.36 3k9bB1 SER 2221 HB3 0.22 0.05 0.36 -0.04 3.93 4.52 3k9bB1 ALA 2222 H 0.13 -0.05 0.37 -0.55 8.40 8.31 3k9bB1 ALA 2222 HA -0.00 0.17 0.38 -0.75 4.34 4.13 3k9bB1 ALA 2222 HB3 0.02 0.02 0.19 -0.04 1.41 1.60 3k9bB1 GLY 2223 H -0.02 0.31 -0.59 -0.55 8.43 7.58 3k9bB1 GLY 2223 HA2 -0.23 0.14 0.36 -0.51 4.01 3.76 3k9bB1 GLY 2223 HA3 -0.29 0.24 0.07 -0.51 4.01 3.52 3k9bB1 GLY 2224 H -0.04 0.40 -0.72 -0.55 8.43 7.52 3k9bB1 GLY 2224 HA2 -0.08 0.13 0.56 -0.51 4.01 4.11 3k9bB1 GLY 2224 HA3 -0.01 0.07 0.14 -0.51 4.01 3.69 3k9bB1 GLU 2225 H -0.03 0.38 -0.29 -0.55 8.60 8.11 3k9bB1 GLU 2225 HA -0.06 -0.05 -0.08 -0.75 4.29 3.34 3k9bB1 GLU 2225 HB2 -0.03 -0.04 -0.08 -0.04 2.09 1.90 3k9bB1 GLU 2225 HB3 -0.05 0.16 -0.01 -0.04 1.99 2.05 3k9bB1 GLU 2225 HG2 -0.07 0.00 -0.17 -0.04 2.34 2.06 3k9bB1 GLU 2225 HG3 -0.07 0.01 -0.07 -0.04 2.34 2.17 3k9bB1 SER 2226 H -0.10 0.22 -0.66 -0.55 8.46 7.37 3k9bB1 SER 2226 HA -0.07 0.04 0.46 -0.75 4.49 4.17 3k9bB1 SER 2226 HB2 -0.22 0.15 0.01 -0.04 3.95 3.84 3k9bB1 SER 2226 HB3 -0.15 -0.02 -0.05 -0.04 3.93 3.67 3k9bB1 VAL 2227 H -0.16 0.34 -0.27 -0.55 8.24 7.60 3k9bB1 VAL 2227 HA -0.26 0.06 0.33 -0.75 4.13 3.51 3k9bB1 VAL 2227 HB -0.09 0.07 0.14 -0.04 2.12 2.20 3k9bB1 VAL 2227 HG13 -0.10 -0.00 -0.25 -0.04 0.97 0.57 3k9bB1 VAL 2227 HG23 -0.21 0.05 -0.06 -0.04 0.95 0.69 3k9bB1 SER 2228 H -0.10 0.56 -0.34 -0.55 8.46 8.04 3k9bB1 SER 2228 HA -0.17 0.10 0.32 -0.75 4.49 3.98 3k9bB1 SER 2228 HB2 -0.01 0.11 0.11 -0.04 3.95 4.11 3k9bB1 SER 2228 HB3 -0.09 0.14 0.02 -0.04 3.93 3.96 3k9bB1 VAL 2229 H -0.17 0.32 -0.37 -0.55 8.24 7.47 3k9bB1 VAL 2229 HA -0.16 0.03 0.40 -0.75 4.13 3.65 3k9bB1 VAL 2229 HB -0.38 0.09 0.14 -0.04 2.12 1.92 3k9bB1 VAL 2229 HG13 -0.37 -0.02 -0.15 -0.04 0.97 0.39 3k9bB1 VAL 2229 HG23 -0.23 0.11 0.04 -0.04 0.95 0.82 3k9bB1 LEU 2230 H -0.19 0.59 -0.15 -0.55 8.37 8.07 3k9bB1 LEU 2230 HA -0.04 -0.02 0.38 -0.75 4.35 3.92 3k9bB1 LEU 2230 HB2 -0.29 0.11 0.05 -0.04 1.64 1.47 3k9bB1 LEU 2230 HB3 -0.08 0.02 0.00 -0.04 1.64 1.54 3k9bB1 LEU 2230 HG -0.18 0.16 0.01 -0.04 1.64 1.60 3k9bB1 LEU 2230 HD13 -0.20 -0.02 -0.14 -0.04 0.93 0.53 3k9bB1 LEU 2230 HD23 -0.05 -0.02 -0.05 -0.04 0.89 0.73 3k9bB1 VAL 2231 H -0.12 0.29 -0.51 -0.55 8.24 7.35 3k9bB1 VAL 2231 HA 0.48 0.08 0.40 -0.75 4.13 4.34 3k9bB1 VAL 2231 HB -0.24 0.08 0.02 -0.04 2.12 1.95 3k9bB1 VAL 2231 HG13 -0.07 -0.01 -0.05 -0.04 0.97 0.80 3k9bB1 VAL 2231 HG23 -0.28 0.09 -0.04 -0.04 0.95 0.69 3k9bB1 LEU 2232 H -0.08 0.24 -0.45 -0.55 8.37 7.53 3k9bB1 LEU 2232 HA -0.07 0.15 0.69 -0.75 4.35 4.37 3k9bB1 LEU 2232 HB2 -0.11 0.05 0.11 -0.04 1.64 1.65 3k9bB1 LEU 2232 HB3 -0.07 -0.10 0.05 -0.04 1.64 1.48 3k9bB1 LEU 2232 HG -0.18 0.12 -0.07 -0.04 1.64 1.47 3k9bB1 LEU 2232 HD13 -0.11 -0.07 -0.07 -0.04 0.93 0.64 3k9bB1 LEU 2232 HD23 -0.15 0.01 -0.13 -0.04 0.89 0.58 3k9bB1 SER 2233 H -0.02 0.21 -0.20 -0.55 8.46 7.90 3k9bB1 SER 2233 HA -0.04 0.22 0.93 -0.75 4.49 4.85 3k9bB1 SER 2233 HB2 -0.05 -0.02 0.05 -0.04 3.95 3.88 3k9bB1 SER 2233 HB3 0.02 -0.02 0.16 -0.04 3.93 4.05 3k9bB1 PRO 2234 HA 0.12 0.09 0.43 -0.51 4.44 4.57 3k9bB1 PRO 2234 HB2 0.03 0.01 0.02 -0.04 2.28 2.30 3k9bB1 PRO 2234 HB3 0.01 0.04 0.12 -0.04 2.02 2.15 3k9bB1 PRO 2234 HG2 0.01 0.09 0.06 -0.04 2.03 2.15 3k9bB1 PRO 2234 HG3 -0.01 -0.01 0.10 -0.04 2.03 2.08 3k9bB1 PRO 2234 HD2 0.03 -0.99 0.18 -0.04 3.68 2.86 3k9bB1 PRO 2234 HD3 -0.01 0.44 0.35 -0.04 3.65 4.39 3k9bB1 LEU 2235 H 0.05 0.14 -0.21 -0.55 8.37 7.81 3k9bB1 LEU 2235 HA 0.04 0.09 0.41 -0.75 4.35 4.14 3k9bB1 LEU 2235 HB2 0.04 -0.02 -0.03 -0.04 1.64 1.59 3k9bB1 LEU 2235 HB3 0.05 0.01 0.01 -0.04 1.64 1.67 3k9bB1 LEU 2235 HG 0.02 0.12 -0.01 -0.04 1.64 1.74 3k9bB1 LEU 2235 HD13 0.03 -0.04 -0.15 -0.04 0.93 0.73 3k9bB1 LEU 2235 HD23 0.03 -0.00 -0.04 -0.04 0.89 0.84 3k9bB1 ALA 2236 H 0.16 0.37 -0.35 -0.55 8.40 8.04 3k9bB1 ALA 2236 HA 0.09 0.13 0.69 -0.75 4.34 4.50 3k9bB1 ALA 2236 HB3 0.31 0.06 0.10 -0.04 1.41 1.84 3k9bB1 LYS 2237 H 0.06 0.25 -0.36 -0.55 8.42 7.83 3k9bB1 LYS 2237 HA -1.06 0.00 0.42 -0.75 4.32 2.93 3k9bB1 LYS 2237 HB2 0.19 0.05 0.16 -0.04 1.87 2.22 3k9bB1 LYS 2237 HB3 -0.05 0.04 0.11 -0.04 1.79 1.86 3k9bB1 LYS 2237 HG2 -0.20 0.00 -0.13 -0.04 1.46 1.10 3k9bB1 LYS 2237 HG3 -0.26 -0.02 0.05 -0.04 1.46 1.19 3k9bB1 LYS 2237 HD2 0.07 0.01 0.03 -0.04 1.69 1.76 3k9bB1 LYS 2237 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.59 3k9bB1 LYS 2237 HE2 -0.00 -0.05 -0.01 -0.04 2.99 2.89 3k9bB1 LYS 2237 HE3 -0.04 -0.01 -0.02 -0.04 2.99 2.88 3k9bB1 ASN 2238 H -0.55 0.16 0.22 -0.55 8.53 7.81 3k9bB1 ASN 2238 HA -0.25 0.04 0.37 -0.75 4.76 4.16 3k9bB1 ASN 2238 HB2 -0.10 0.32 0.02 -0.04 2.88 3.08 3k9bB1 ASN 2238 HB3 -0.07 -0.04 0.17 -0.04 2.79 2.80 3k9bB1 ASN 2238 HD21 -0.07 -0.04 -0.00 -0.04 7.03 6.88 3k9bB1 ASN 2238 HD22 -0.06 0.05 0.06 -0.04 7.74 7.75 3k9bB1 LEU 2239 H -0.31 0.44 -0.31 -0.55 8.37 7.65 3k9bB1 LEU 2239 HA -0.05 0.14 0.76 -0.75 4.35 4.44 3k9bB1 LEU 2239 HB2 0.13 0.13 0.04 -0.04 1.64 1.90 3k9bB1 LEU 2239 HB3 0.08 -0.10 0.01 -0.04 1.64 1.59 3k9bB1 LEU 2239 HG -0.03 0.17 -0.27 -0.04 1.64 1.47 3k9bB1 LEU 2239 HD13 0.06 -0.04 0.03 -0.04 0.93 0.94 3k9bB1 LEU 2239 HD23 0.02 -0.01 -0.13 -0.04 0.89 0.72 3k9bB1 PHE 2240 H -0.65 0.16 0.05 -0.55 8.34 7.35 3k9bB1 PHE 2240 HA -0.33 0.13 0.60 -0.75 4.62 4.27 3k9bB1 PHE 2240 HB2 -0.08 0.03 0.08 -0.04 3.15 3.15 3k9bB1 PHE 2240 HB3 -0.09 0.02 -0.20 -0.04 3.06 2.75 3k9bB1 PHE 2240 HD2 -0.07 -0.01 -0.21 -0.04 7.28 6.95 3k9bB1 PHE 2240 HE2 -0.02 0.03 -0.17 -0.04 7.38 7.18 3k9bB1 PHE 2240 HZ 0.08 0.04 -0.27 -0.04 7.32 7.13 3k9bB1 HIS 2241 H 0.07 0.82 0.40 -0.55 8.41 9.15 3k9bB1 HIS 2241 HA -0.09 0.14 0.94 -0.75 4.63 4.87 3k9bB1 HIS 2241 HB2 0.00 0.03 0.05 -0.04 3.26 3.30 3k9bB1 HIS 2241 HB3 -0.03 -0.01 0.17 -0.04 3.20 3.28 3k9bB1 HIS 2241 HD2 -0.09 -0.04 -0.04 -0.04 6.97 6.75 3k9bB1 HIS 2241 HE1 -0.01 0.28 -0.07 -0.04 7.75 7.90 3k9bB1 ARG 2242 H 0.30 0.23 0.33 -0.55 8.46 8.77 3k9bB1 ARG 2242 HA 0.17 0.29 0.64 -0.75 4.34 4.68 3k9bB1 ARG 2242 HB2 0.13 -0.12 -0.08 -0.04 1.90 1.78 3k9bB1 ARG 2242 HB3 -0.11 -0.03 0.01 -0.04 1.80 1.63 3k9bB1 ARG 2242 HG2 -0.10 0.23 -0.19 -0.04 1.67 1.57 3k9bB1 ARG 2242 HG3 0.07 -0.17 -0.69 -0.04 1.67 0.84 3k9bB1 ARG 2242 HD2 -0.08 -0.10 -0.18 -0.04 3.22 2.82 3k9bB1 ARG 2242 HD3 -0.51 0.06 -0.11 -0.04 3.22 2.62 3k9bB1 ALA 2243 H 0.37 0.44 0.23 -0.55 8.40 8.90 3k9bB1 ALA 2243 HA 0.12 0.26 0.95 -0.75 4.34 4.91 3k9bB1 ALA 2243 HB3 -0.03 0.01 -0.04 -0.04 1.41 1.31 3k9bB1 ILE 2244 H 0.12 0.47 0.28 -0.55 8.25 8.57 3k9bB1 ILE 2244 HA -0.13 0.20 0.97 -0.75 4.18 4.48 3k9bB1 ILE 2244 HB 0.15 -0.04 0.18 -0.04 1.89 2.14 3k9bB1 ILE 2244 HG12 -0.59 0.03 -0.10 -0.04 1.49 0.78 3k9bB1 ILE 2244 HG13 0.04 0.04 -0.53 -0.04 1.21 0.72 3k9bB1 ILE 2244 HG23 -0.32 -0.04 -0.21 -0.04 0.93 0.32 3k9bB1 ILE 2244 HD13 -0.63 -0.00 -0.16 -0.04 0.88 0.05 3k9bB1 SER 2245 H -0.16 0.52 0.27 -0.55 8.46 8.55 3k9bB1 SER 2245 HA 0.02 0.15 1.02 -0.75 4.49 4.92 3k9bB1 SER 2245 HB2 -0.19 -0.01 0.26 -0.04 3.95 3.96 3k9bB1 SER 2245 HB3 -0.03 0.13 0.10 -0.04 3.93 4.10 3k9bB1 GLU 2246 H 0.08 0.76 0.31 -0.55 8.60 9.21 3k9bB1 GLU 2246 HA 0.15 0.10 0.81 -0.75 4.29 4.60 3k9bB1 GLU 2246 HB2 0.25 0.02 -0.02 -0.04 2.09 2.30 3k9bB1 GLU 2246 HB3 0.25 -0.12 -0.06 -0.04 1.99 2.02 3k9bB1 GLU 2246 HG2 0.58 -0.00 -0.18 -0.04 2.34 2.69 3k9bB1 GLU 2246 HG3 0.36 0.09 -0.26 -0.04 2.34 2.49 3k9bB1 SER 2247 H -0.03 0.78 0.36 -0.55 8.46 9.03 3k9bB1 SER 2247 HA 0.02 0.08 0.52 -0.75 4.49 4.37 3k9bB1 SER 2247 HB2 -0.07 0.07 0.23 -0.04 3.95 4.14 3k9bB1 SER 2247 HB3 -0.19 -0.02 0.30 -0.04 3.93 3.98 3k9bB1 GLY 2248 H 0.06 0.21 -0.12 -0.55 8.43 8.03 3k9bB1 GLY 2248 HA2 0.17 0.06 0.38 -0.51 4.01 4.10 3k9bB1 GLY 2248 HA3 0.13 0.09 0.50 -0.51 4.01 4.23 3k9bB1 VAL 2249 H -0.03 0.22 0.11 -0.55 8.24 7.99 3k9bB1 VAL 2249 HA -0.03 0.31 0.76 -0.75 4.13 4.42 3k9bB1 VAL 2249 HB -0.05 -0.02 0.05 -0.04 2.12 2.06 3k9bB1 VAL 2249 HG13 -0.05 0.02 -0.19 -0.04 0.97 0.70 3k9bB1 VAL 2249 HG23 -0.06 -0.01 -0.28 -0.04 0.95 0.55 3k9bB1 ALA 2250 H -0.07 0.22 0.05 -0.55 8.40 8.06 3k9bB1 ALA 2250 HA -0.09 0.13 0.35 -0.75 4.34 3.97 3k9bB1 ALA 2250 HB3 -0.10 0.03 -0.06 -0.04 1.41 1.23 3k9bB1 LEU 2251 H -0.08 0.07 -0.24 -0.55 8.37 7.58 3k9bB1 LEU 2251 HA -0.09 0.09 0.31 -0.75 4.35 3.90 3k9bB1 LEU 2251 HB2 -0.07 -0.03 -0.08 -0.04 1.64 1.41 3k9bB1 LEU 2251 HB3 -0.08 0.03 0.01 -0.04 1.64 1.56 3k9bB1 LEU 2251 HG -0.06 -0.02 -0.10 -0.04 1.64 1.42 3k9bB1 LEU 2251 HD13 -0.03 0.04 -0.10 -0.04 0.93 0.79 3k9bB1 LEU 2251 HD23 -0.06 0.02 -0.23 -0.04 0.89 0.57 3k9bB1 THR 2252 H -0.11 0.22 -0.71 -0.55 8.28 7.13 3k9bB1 THR 2252 HA -0.19 0.12 0.45 -0.75 4.39 4.01 3k9bB1 THR 2252 HB -0.13 0.17 0.20 -0.04 4.32 4.52 3k9bB1 THR 2252 HG23 -0.26 -0.04 0.07 -0.04 1.22 0.96 3k9bB1 SER 2253 H -0.16 0.43 0.38 -0.55 8.46 8.56 3k9bB1 SER 2253 HA -0.13 0.05 0.26 -0.75 4.49 3.92 3k9bB1 SER 2253 HB2 -0.15 0.01 0.05 -0.04 3.95 3.82 3k9bB1 SER 2253 HB3 -0.17 0.07 0.16 -0.04 3.93 3.95 3k9bB1 VAL 2254 H -0.17 0.06 -0.33 -0.55 8.24 7.24 3k9bB1 VAL 2254 HA -0.12 0.10 0.24 -0.75 4.13 3.59 3k9bB1 VAL 2254 HB -0.15 0.06 0.11 -0.04 2.12 2.10 3k9bB1 VAL 2254 HG13 -0.15 -0.03 -0.04 -0.04 0.97 0.72 3k9bB1 VAL 2254 HG23 -0.08 0.03 0.00 -0.04 0.95 0.86 3k9bB1 LEU 2255 H -0.12 0.36 -0.23 -0.55 8.37 7.82 3k9bB1 LEU 2255 HA -0.14 0.23 0.72 -0.75 4.35 4.41 3k9bB1 LEU 2255 HB2 -0.10 0.08 0.03 -0.04 1.64 1.61 3k9bB1 LEU 2255 HB3 -0.14 -0.10 0.13 -0.04 1.64 1.49 3k9bB1 LEU 2255 HG -0.09 -0.02 -0.04 -0.04 1.64 1.45 3k9bB1 LEU 2255 HD13 -0.06 -0.06 -0.01 -0.04 0.93 0.76 3k9bB1 LEU 2255 HD23 -0.12 0.04 -0.08 -0.04 0.89 0.69 3k9bB1 VAL 2256 H -0.11 0.58 -0.24 -0.55 8.24 7.92 3k9bB1 VAL 2256 HA -0.08 0.26 0.92 -0.75 4.13 4.47 3k9bB1 VAL 2256 HB -0.09 0.01 0.05 -0.04 2.12 2.05 3k9bB1 VAL 2256 HG13 -0.07 -0.05 -0.30 -0.04 0.97 0.51 3k9bB1 VAL 2256 HG23 -0.09 -0.03 -0.19 -0.04 0.95 0.61 3k9bB1 LYS 2257 H -0.08 0.48 -0.00 -0.55 8.42 8.27 3k9bB1 LYS 2257 HA -0.07 0.07 0.47 -0.75 4.32 4.03 3k9bB1 LYS 2257 HB2 -0.07 -0.00 0.14 -0.04 1.87 1.90 3k9bB1 LYS 2257 HB3 -0.06 -0.05 -0.07 -0.04 1.79 1.57 3k9bB1 LYS 2257 HG2 -0.09 0.05 -0.11 -0.04 1.46 1.27 3k9bB1 LYS 2257 HG3 -0.07 -0.10 -0.01 -0.04 1.46 1.24 3k9bB1 LYS 2257 HD2 -0.05 -0.06 -0.04 -0.04 1.69 1.49 3k9bB1 LYS 2257 HD3 -0.07 0.08 -0.13 -0.04 1.68 1.52 3k9bB1 LYS 2257 HE2 -0.10 0.10 -0.15 -0.04 2.99 2.80 3k9bB1 LYS 2257 HE3 -0.07 -0.07 -0.04 -0.04 2.99 2.77 3k9bB1 LYS 2258 H -0.06 0.24 0.23 -0.55 8.42 8.27 3k9bB1 LYS 2258 HA -0.05 0.06 0.79 -0.75 4.32 4.37 3k9bB1 LYS 2258 HB2 -0.06 0.04 0.12 -0.04 1.87 1.93 3k9bB1 LYS 2258 HB3 -0.05 -0.07 0.04 -0.04 1.79 1.67 3k9bB1 LYS 2258 HG2 -0.06 -0.06 -0.13 -0.04 1.46 1.17 3k9bB1 LYS 2258 HG3 -0.07 0.26 -0.16 -0.04 1.46 1.45 3k9bB1 LYS 2258 HD2 -0.06 -0.07 0.00 -0.04 1.69 1.52 3k9bB1 LYS 2258 HD3 -0.07 -0.07 -0.02 -0.04 1.68 1.48 3k9bB1 LYS 2258 HE2 -0.09 0.12 0.03 -0.04 2.99 3.00 3k9bB1 LYS 2258 HE3 -0.08 -0.00 0.01 -0.04 2.99 2.88 3k9bB1 GLY 2259 H -0.04 0.10 0.15 -0.55 8.43 8.09 3k9bB1 GLY 2259 HA2 -0.02 -0.01 0.33 -0.51 4.01 3.80 3k9bB1 GLY 2259 HA3 -0.02 0.22 0.81 -0.51 4.01 4.51 3k9bB1 ASP 2260 H -0.02 0.15 0.14 -0.55 8.40 8.12 3k9bB1 ASP 2260 HA -0.03 0.07 0.62 -0.75 4.63 4.54 3k9bB1 ASP 2260 HB2 -0.01 0.02 0.14 -0.04 2.71 2.81 3k9bB1 ASP 2260 HB3 -0.01 0.04 0.21 -0.04 2.70 2.89 3k9bB1 VAL 2261 H -0.05 0.21 0.19 -0.55 8.24 8.04 3k9bB1 VAL 2261 HA -0.04 0.20 0.60 -0.75 4.13 4.13 3k9bB1 VAL 2261 HB -0.09 0.01 0.07 -0.04 2.12 2.07 3k9bB1 VAL 2261 HG13 -0.06 0.06 -0.09 -0.04 0.97 0.83 3k9bB1 VAL 2261 HG23 -0.11 0.00 -0.28 -0.04 0.95 0.53 3k9bB1 LYS 2262 H -0.04 0.05 -0.15 -0.55 8.42 7.72 3k9bB1 LYS 2262 HA -0.06 0.08 0.34 -0.75 4.32 3.93 3k9bB1 LYS 2262 HB2 -0.02 0.04 0.10 -0.04 1.87 1.94 3k9bB1 LYS 2262 HB3 -0.02 0.04 0.01 -0.04 1.79 1.78 3k9bB1 LYS 2262 HG2 -0.00 0.00 -0.02 -0.04 1.46 1.40 3k9bB1 LYS 2262 HG3 -0.00 -0.03 -0.14 -0.04 1.46 1.25 3k9bB1 LYS 2262 HD2 -0.02 -0.05 0.13 -0.04 1.69 1.70 3k9bB1 LYS 2262 HD3 -0.01 0.20 0.11 -0.04 1.68 1.94 3k9bB1 LYS 2262 HE2 0.02 0.02 -0.05 -0.04 2.99 2.93 3k9bB1 LYS 2262 HE3 0.03 -0.11 -0.01 -0.04 2.99 2.86 3k9bB1 PRO 2263 HA 0.00 0.04 0.47 -0.51 4.44 4.44 3k9bB1 PRO 2263 HB2 0.00 0.10 -0.02 -0.04 2.28 2.31 3k9bB1 PRO 2263 HB3 0.00 0.03 0.05 -0.04 2.02 2.06 3k9bB1 PRO 2263 HG2 -0.01 0.20 -0.00 -0.04 2.03 2.17 3k9bB1 PRO 2263 HG3 -0.00 0.03 0.01 -0.04 2.03 2.03 3k9bB1 PRO 2263 HD2 -0.01 0.02 -0.05 -0.04 3.68 3.60 3k9bB1 PRO 2263 HD3 -0.00 0.16 -0.28 -0.04 3.65 3.48 3k9bB1 LEU 2264 H -0.02 0.41 -0.16 -0.55 8.37 8.05 3k9bB1 LEU 2264 HA 0.03 0.07 0.50 -0.75 4.35 4.20 3k9bB1 LEU 2264 HB2 0.00 0.00 0.12 -0.04 1.64 1.72 3k9bB1 LEU 2264 HB3 -0.04 0.16 0.18 -0.04 1.64 1.89 3k9bB1 LEU 2264 HG 0.03 -0.05 -0.11 -0.04 1.64 1.47 3k9bB1 LEU 2264 HD13 0.11 0.00 0.06 -0.04 0.93 1.06 3k9bB1 LEU 2264 HD23 -0.03 0.03 0.02 -0.04 0.89 0.87 3k9bB1 ALA 2265 H -0.06 0.39 -0.12 -0.55 8.40 8.07 3k9bB1 ALA 2265 HA -0.00 0.03 0.45 -0.75 4.34 4.06 3k9bB1 ALA 2265 HB3 -0.17 0.12 0.16 -0.04 1.41 1.48 3k9bB1 GLU 2266 H 0.01 0.50 -0.10 -0.55 8.60 8.47 3k9bB1 GLU 2266 HA 0.05 0.01 0.41 -0.75 4.29 4.00 3k9bB1 GLU 2266 HB2 0.02 0.10 0.12 -0.04 2.09 2.28 3k9bB1 GLU 2266 HB3 0.02 -0.05 0.02 -0.04 1.99 1.94 3k9bB1 GLU 2266 HG2 0.02 -0.05 0.01 -0.04 2.34 2.29 3k9bB1 GLU 2266 HG3 0.01 0.22 0.07 -0.04 2.34 2.60 3k9bB1 GLN 2267 H 0.04 0.38 -0.35 -0.55 8.47 8.00 3k9bB1 GLN 2267 HA 0.02 0.02 0.49 -0.75 4.36 4.14 3k9bB1 GLN 2267 HB2 0.05 0.12 0.19 -0.04 2.15 2.47 3k9bB1 GLN 2267 HB3 0.03 -0.02 0.03 -0.04 2.02 2.02 3k9bB1 GLN 2267 HG2 0.02 0.37 0.16 -0.04 2.40 2.91 3k9bB1 GLN 2267 HG3 0.02 -0.02 0.03 -0.04 2.39 2.39 3k9bB1 GLN 2267 HE21 0.01 -0.04 -0.03 -0.04 6.97 6.87 3k9bB1 GLN 2267 HE22 0.01 0.03 -0.01 -0.04 7.69 7.68 3k9bB1 ILE 2268 H 0.09 0.54 -0.08 -0.55 8.25 8.25 3k9bB1 ILE 2268 HA 0.07 0.03 0.35 -0.75 4.18 3.87 3k9bB1 ILE 2268 HB 0.23 0.12 0.15 -0.04 1.89 2.34 3k9bB1 ILE 2268 HG12 0.21 -0.04 0.04 -0.04 1.49 1.66 3k9bB1 ILE 2268 HG13 0.14 0.33 0.19 -0.04 1.21 1.82 3k9bB1 ILE 2268 HG23 0.10 -0.02 -0.11 -0.04 0.93 0.85 3k9bB1 ILE 2268 HD13 0.20 -0.03 -0.03 -0.04 0.88 0.98 3k9bB1 ALA 2269 H 0.09 0.48 -0.28 -0.55 8.40 8.15 3k9bB1 ALA 2269 HA -0.02 0.03 0.34 -0.75 4.34 3.94 3k9bB1 ALA 2269 HB3 0.04 0.02 -0.01 -0.04 1.41 1.43 3k9bB1 ILE 2270 H 0.02 0.47 -0.23 -0.55 8.25 7.97 3k9bB1 ILE 2270 HA 0.00 0.07 0.51 -0.75 4.18 4.01 3k9bB1 ILE 2270 HB 0.01 0.15 0.24 -0.04 1.89 2.25 3k9bB1 ILE 2270 HG12 0.01 -0.06 0.05 -0.04 1.49 1.45 3k9bB1 ILE 2270 HG13 0.02 0.26 0.14 -0.04 1.21 1.59 3k9bB1 ILE 2270 HG23 0.00 -0.02 -0.10 -0.04 0.93 0.77 3k9bB1 ILE 2270 HD13 0.01 -0.05 -0.02 -0.04 0.88 0.78 3k9bB1 THR 2271 H 0.01 0.70 0.01 -0.55 8.28 8.44 3k9bB1 THR 2271 HA -0.01 -0.02 0.36 -0.75 4.39 3.97 3k9bB1 THR 2271 HB -0.01 0.11 0.04 -0.04 4.32 4.42 3k9bB1 THR 2271 HG23 -0.03 -0.02 0.01 -0.04 1.22 1.14 3k9bB1 ALA 2272 H -0.01 0.23 -0.81 -0.55 8.40 7.27 3k9bB1 ALA 2272 HA -0.02 0.06 0.67 -0.75 4.34 4.29 3k9bB1 ALA 2272 HB3 -0.05 -0.01 0.04 -0.04 1.41 1.35 3k9bB1 GLY 2273 H -0.01 0.56 -0.20 -0.55 8.43 8.23 3k9bB1 GLY 2273 HA2 -0.01 -0.00 0.33 -0.51 4.01 3.82 3k9bB1 GLY 2273 HA3 -0.01 0.02 0.57 -0.51 4.01 4.07 3k9bB1 CYS 2274 H -0.01 0.46 0.17 -0.55 8.50 8.57 3k9bB1 CYS 2274 HA -0.01 0.12 0.87 -0.75 4.58 4.80 3k9bB1 CYS 2274 HB2 -0.02 0.07 -0.01 -0.04 2.97 2.96 3k9bB1 CYS 2274 HB3 -0.01 0.02 0.04 -0.04 2.97 2.98 3k9bB1 LYS 2275 H 0.01 0.11 0.13 -0.55 8.42 8.11 3k9bB1 LYS 2275 HA 0.01 0.16 0.62 -0.75 4.32 4.35 3k9bB1 LYS 2275 HB2 0.01 -0.02 0.05 -0.04 1.87 1.87 3k9bB1 LYS 2275 HB3 0.01 -0.11 0.08 -0.04 1.79 1.73 3k9bB1 LYS 2275 HG2 0.01 0.04 -0.01 -0.04 1.46 1.46 3k9bB1 LYS 2275 HG3 0.01 0.05 -0.01 -0.04 1.46 1.46 3k9bB1 LYS 2275 HD2 0.01 0.02 0.01 -0.04 1.69 1.69 3k9bB1 LYS 2275 HD3 0.01 -0.05 0.01 -0.04 1.68 1.60 3k9bB1 LYS 2275 HE2 0.00 -0.00 -0.01 -0.04 2.99 2.94 3k9bB1 LYS 2275 HE3 0.01 0.05 -0.01 -0.04 2.99 2.99 3k9bB1 THR 2276 H 0.01 0.17 0.06 -0.55 8.28 7.97 3k9bB1 THR 2276 HA 0.02 0.25 0.86 -0.75 4.39 4.76 3k9bB1 THR 2276 HB 0.02 -0.02 0.13 -0.04 4.32 4.41 3k9bB1 THR 2276 HG23 0.02 0.04 -0.14 -0.04 1.22 1.11 3k9bB1 THR 2277 H 0.01 0.09 -0.21 -0.55 8.28 7.62 3k9bB1 THR 2277 HA 0.01 0.08 0.34 -0.75 4.39 4.06 3k9bB1 THR 2277 HB -0.00 -0.04 -0.01 -0.04 4.32 4.22 3k9bB1 THR 2277 HG23 -0.00 0.01 -0.02 -0.04 1.22 1.16 3k9bB1 THR 2278 H 0.00 0.19 -0.17 -0.55 8.28 7.76 3k9bB1 THR 2278 HA 0.01 0.24 0.50 -0.75 4.39 4.38 3k9bB1 THR 2278 HB -0.01 -0.04 0.13 -0.04 4.32 4.36 3k9bB1 THR 2278 HG23 -0.01 0.03 -0.27 -0.04 1.22 0.93 3k9bB1 SER 2279 H 0.03 0.20 0.11 -0.55 8.46 8.25 3k9bB1 SER 2279 HA 0.06 0.17 0.45 -0.75 4.49 4.41 3k9bB1 SER 2279 HB2 0.20 -0.08 0.14 -0.04 3.95 4.17 3k9bB1 SER 2279 HB3 0.16 0.04 -0.05 -0.04 3.93 4.04 3k9bB1 ALA 2280 H -0.29 0.11 -0.01 -0.55 8.40 7.66 3k9bB1 ALA 2280 HA -0.19 0.16 0.33 -0.75 4.34 3.89 3k9bB1 ALA 2280 HB3 -0.50 0.02 0.03 -0.04 1.41 0.92 3k9bB1 VAL 2281 H -0.06 -0.02 -0.59 -0.55 8.24 7.02 3k9bB1 VAL 2281 HA 0.01 0.09 0.43 -0.75 4.13 3.91 3k9bB1 VAL 2281 HB -0.01 -0.04 -0.01 -0.04 2.12 2.03 3k9bB1 VAL 2281 HG13 0.02 0.03 -0.14 -0.04 0.97 0.83 3k9bB1 VAL 2281 HG23 -0.03 -0.00 -0.06 -0.04 0.95 0.81 3k9bB1 MET 2282 H 0.02 0.40 -0.11 -0.55 8.47 8.24 3k9bB1 MET 2282 HA 0.02 0.10 0.46 -0.75 4.52 4.34 3k9bB1 MET 2282 HB2 0.11 0.10 0.18 -0.04 2.15 2.50 3k9bB1 MET 2282 HB3 0.13 -0.01 -0.03 -0.04 2.03 2.08 3k9bB1 MET 2282 HG2 0.04 0.13 0.11 -0.04 2.63 2.87 3k9bB1 MET 2282 HG3 0.04 0.14 0.07 -0.04 2.56 2.77 3k9bB1 MET 2282 HE3 0.04 -0.02 -0.16 -0.04 2.10 1.92 3k9bB1 VAL 2283 H 0.05 0.38 -0.19 -0.55 8.24 7.93 3k9bB1 VAL 2283 HA -0.17 0.06 0.39 -0.75 4.13 3.67 3k9bB1 VAL 2283 HB 0.08 0.04 0.03 -0.04 2.12 2.23 3k9bB1 VAL 2283 HG13 0.07 0.04 -0.04 -0.04 0.97 0.99 3k9bB1 VAL 2283 HG23 0.21 0.07 -0.12 -0.04 0.95 1.07 3k9bB1 HIS 2284 H 0.11 0.37 -0.13 -0.55 8.41 8.21 3k9bB1 HIS 2284 HA 0.00 0.09 0.46 -0.75 4.63 4.43 3k9bB1 HIS 2284 HB2 -0.02 0.03 0.12 -0.04 3.26 3.35 3k9bB1 HIS 2284 HB3 -0.02 0.02 0.18 -0.04 3.20 3.33 3k9bB1 HIS 2284 HD2 -0.01 -0.02 -0.10 -0.04 6.97 6.79 3k9bB1 HIS 2284 HE1 -0.01 -0.01 -0.03 -0.04 7.75 7.67 3k9bB1 CYS 2285 H 0.05 0.49 -0.12 -0.55 8.50 8.37 3k9bB1 CYS 2285 HA -0.11 -0.01 0.37 -0.75 4.58 4.08 3k9bB1 CYS 2285 HB2 0.02 -0.04 0.17 -0.04 2.97 3.07 3k9bB1 CYS 2285 HB3 -0.03 0.15 0.17 -0.04 2.97 3.22 3k9bB1 LEU 2286 H -0.10 0.47 -0.22 -0.55 8.37 7.98 3k9bB1 LEU 2286 HA -0.10 0.01 0.42 -0.75 4.35 3.93 3k9bB1 LEU 2286 HB2 -0.33 0.08 0.08 -0.04 1.64 1.43 3k9bB1 LEU 2286 HB3 -0.19 -0.06 -0.03 -0.04 1.64 1.33 3k9bB1 LEU 2286 HG -0.25 0.21 0.05 -0.04 1.64 1.61 3k9bB1 LEU 2286 HD13 -0.95 -0.03 -0.11 -0.04 0.93 -0.20 3k9bB1 LEU 2286 HD23 -0.15 -0.02 -0.07 -0.04 0.89 0.61 3k9bB1 ARG 2287 H -0.04 0.41 -0.41 -0.55 8.46 7.87 3k9bB1 ARG 2287 HA -0.01 0.03 0.42 -0.75 4.34 4.03 3k9bB1 ARG 2287 HB2 -0.08 0.07 0.13 -0.04 1.90 1.98 3k9bB1 ARG 2287 HB3 -0.06 -0.07 0.02 -0.04 1.80 1.65 3k9bB1 ARG 2287 HG2 0.15 -0.07 -0.05 -0.04 1.67 1.66 3k9bB1 ARG 2287 HG3 0.11 0.29 0.06 -0.04 1.67 2.08 3k9bB1 ARG 2287 HD2 0.03 -0.13 0.00 -0.04 3.22 3.08 3k9bB1 ARG 2287 HD3 -0.04 -0.06 0.05 -0.04 3.22 3.13 3k9bB1 GLN 2288 H -0.13 0.35 -0.39 -0.55 8.47 7.75 3k9bB1 GLN 2288 HA -0.08 0.08 0.71 -0.75 4.36 4.31 3k9bB1 GLN 2288 HB2 -0.12 0.16 0.09 -0.04 2.15 2.23 3k9bB1 GLN 2288 HB3 -0.08 -0.12 0.06 -0.04 2.02 1.84 3k9bB1 GLN 2288 HG2 -0.14 -0.06 -0.02 -0.04 2.40 2.14 3k9bB1 GLN 2288 HG3 -0.34 0.15 -0.03 -0.04 2.39 2.13 3k9bB1 GLN 2288 HE21 0.02 -0.06 -0.02 -0.04 6.97 6.86 3k9bB1 GLN 2288 HE22 -0.10 -0.00 -0.03 -0.04 7.69 7.52 3k9bB1 LYS 2289 H -0.06 0.27 -0.21 -0.55 8.42 7.86 3k9bB1 LYS 2289 HA -0.02 -0.04 0.47 -0.75 4.32 3.98 3k9bB1 LYS 2289 HB2 -0.05 0.14 0.08 -0.04 1.87 2.01 3k9bB1 LYS 2289 HB3 -0.02 -0.14 0.07 -0.04 1.79 1.65 3k9bB1 LYS 2289 HG2 -0.06 0.16 0.08 -0.04 1.46 1.60 3k9bB1 LYS 2289 HG3 -0.06 -0.02 -0.00 -0.04 1.46 1.34 3k9bB1 LYS 2289 HD2 -0.03 -0.08 0.05 -0.04 1.69 1.60 3k9bB1 LYS 2289 HD3 -0.03 -0.07 -0.00 -0.04 1.68 1.54 3k9bB1 LYS 2289 HE2 -0.04 -0.04 -0.11 -0.04 2.99 2.75 3k9bB1 LYS 2289 HE3 -0.04 0.16 -0.11 -0.04 2.99 2.96 3k9bB1 THR 2290 H 0.01 0.04 0.22 -0.55 8.28 8.00 3k9bB1 THR 2290 HA 0.03 0.25 0.65 -0.75 4.39 4.56 3k9bB1 THR 2290 HB 0.03 -0.06 0.19 -0.04 4.32 4.44 3k9bB1 THR 2290 HG23 0.00 0.06 0.10 -0.04 1.22 1.34 3k9bB1 GLU 2291 H 0.08 0.20 0.19 -0.55 8.60 8.52 3k9bB1 GLU 2291 HA 0.42 0.15 0.37 -0.75 4.29 4.48 3k9bB1 GLU 2291 HB2 0.07 0.06 0.16 -0.04 2.09 2.34 3k9bB1 GLU 2291 HB3 0.04 -0.04 0.12 -0.04 1.99 2.07 3k9bB1 GLU 2291 HG2 0.02 0.01 -0.22 -0.04 2.34 2.10 3k9bB1 GLU 2291 HG3 -0.06 0.05 0.01 -0.04 2.34 2.30 3k9bB1 GLU 2292 H 0.07 0.08 -0.16 -0.55 8.60 8.05 3k9bB1 GLU 2292 HA 0.09 0.09 0.41 -0.75 4.29 4.13 3k9bB1 GLU 2292 HB2 0.04 -0.02 0.06 -0.04 2.09 2.13 3k9bB1 GLU 2292 HB3 0.04 0.06 0.02 -0.04 1.99 2.07 3k9bB1 GLU 2292 HG2 0.02 0.06 0.04 -0.04 2.34 2.41 3k9bB1 GLU 2292 HG3 0.02 0.03 0.03 -0.04 2.34 2.38 3k9bB1 GLU 2293 H 0.07 0.11 -0.30 -0.55 8.60 7.93 3k9bB1 GLU 2293 HA 0.03 0.08 0.47 -0.75 4.29 4.12 3k9bB1 GLU 2293 HB2 0.02 0.12 0.19 -0.04 2.09 2.38 3k9bB1 GLU 2293 HB3 0.00 0.12 0.05 -0.04 1.99 2.13 3k9bB1 GLU 2293 HG2 0.01 0.05 0.07 -0.04 2.34 2.43 3k9bB1 GLU 2293 HG3 0.02 -0.13 0.10 -0.04 2.34 2.29 3k9bB1 LEU 2294 H 0.09 0.58 -0.07 -0.55 8.37 8.43 3k9bB1 LEU 2294 HA -0.09 0.08 0.43 -0.75 4.35 4.01 3k9bB1 LEU 2294 HB2 0.14 0.06 0.06 -0.04 1.64 1.86 3k9bB1 LEU 2294 HB3 -0.77 -0.08 0.04 -0.04 1.64 0.79 3k9bB1 LEU 2294 HG -0.05 0.03 -0.09 -0.04 1.64 1.49 3k9bB1 LEU 2294 HD13 -0.24 0.03 -0.08 -0.04 0.93 0.60 3k9bB1 LEU 2294 HD23 -0.20 0.00 -0.01 -0.04 0.89 0.65 3k9bB1 LEU 2295 H 0.22 0.30 -0.62 -0.55 8.37 7.72 3k9bB1 LEU 2295 HA 0.42 0.06 0.57 -0.75 4.35 4.65 3k9bB1 LEU 2295 HB2 0.33 0.03 0.04 -0.04 1.64 2.00 3k9bB1 LEU 2295 HB3 0.17 0.14 0.13 -0.04 1.64 2.04 3k9bB1 LEU 2295 HG 0.12 -0.02 -0.15 -0.04 1.64 1.54 3k9bB1 LEU 2295 HD13 0.19 -0.02 -0.11 -0.04 0.93 0.94 3k9bB1 LEU 2295 HD23 0.05 -0.01 -0.00 -0.04 0.89 0.89 3k9bB1 GLU 2296 H 0.08 0.42 -0.07 -0.55 8.60 8.49 3k9bB1 GLU 2296 HA 0.04 0.02 0.54 -0.75 4.29 4.14 3k9bB1 GLU 2296 HB2 0.04 -0.00 0.17 -0.04 2.09 2.25 3k9bB1 GLU 2296 HB3 0.02 0.18 0.17 -0.04 1.99 2.32 3k9bB1 GLU 2296 HG2 0.01 0.03 -0.04 -0.04 2.34 2.29 3k9bB1 GLU 2296 HG3 0.01 -0.05 0.10 -0.04 2.34 2.37 3k9bB1 THR 2297 H 0.02 0.31 -0.30 -0.55 8.28 7.77 3k9bB1 THR 2297 HA -0.01 0.14 0.43 -0.75 4.39 4.19 3k9bB1 THR 2297 HB -0.04 0.07 0.07 -0.04 4.32 4.38 3k9bB1 THR 2297 HG23 -0.02 0.00 -0.14 -0.04 1.22 1.02 3k9bB1 THR 2298 H 0.06 0.27 -0.31 -0.55 8.28 7.75 3k9bB1 THR 2298 HA 0.16 0.03 0.40 -0.75 4.39 4.23 3k9bB1 THR 2298 HB 0.20 0.18 0.19 -0.04 4.32 4.84 3k9bB1 THR 2298 HG23 0.32 -0.03 -0.05 -0.04 1.22 1.43 3k9bB1 LEU 2299 H 0.06 0.50 -0.18 -0.55 8.37 8.21 3k9bB1 LEU 2299 HA 0.02 -0.01 0.47 -0.75 4.35 4.07 3k9bB1 LEU 2299 HB2 0.04 0.08 0.24 -0.04 1.64 1.96 3k9bB1 LEU 2299 HB3 0.01 0.03 -0.02 -0.04 1.64 1.62 3k9bB1 LEU 2299 HG 0.02 -0.02 0.06 -0.04 1.64 1.67 3k9bB1 LEU 2299 HD13 0.07 0.01 0.02 -0.04 0.93 0.99 3k9bB1 LEU 2299 HD23 0.04 -0.01 0.00 -0.04 0.89 0.87 3k9bB1 LYS 2300 H -0.03 0.49 -0.23 -0.55 8.42 8.10 3k9bB1 LYS 2300 HA -0.05 -0.01 0.45 -0.75 4.32 3.96 3k9bB1 LYS 2300 HB2 -0.05 0.11 0.18 -0.04 1.87 2.06 3k9bB1 LYS 2300 HB3 -0.05 -0.05 0.04 -0.04 1.79 1.68 3k9bB1 LYS 2300 HG2 -0.02 -0.10 0.08 -0.04 1.46 1.37 3k9bB1 LYS 2300 HG3 -0.02 0.32 0.19 -0.04 1.46 1.92 3k9bB1 LYS 2300 HD2 -0.02 0.07 0.03 -0.04 1.69 1.73 3k9bB1 LYS 2300 HD3 -0.02 -0.04 0.05 -0.04 1.68 1.62 3k9bB1 LYS 2300 HE2 -0.01 -0.07 0.02 -0.04 2.99 2.89 3k9bB1 LYS 2300 HE3 -0.01 -0.03 -0.01 -0.04 2.99 2.90 3k9bB1 MET 2301 H -0.17 0.43 -0.29 -0.55 8.47 7.89 3k9bB1 MET 2301 HA -0.31 -0.01 0.34 -0.75 4.52 3.79 3k9bB1 MET 2301 HB2 -0.83 0.14 0.15 -0.04 2.15 1.57 3k9bB1 MET 2301 HB3 -1.83 -0.07 0.03 -0.04 2.03 0.12 3k9bB1 MET 2301 HG2 -0.12 0.41 0.06 -0.04 2.63 2.94 3k9bB1 MET 2301 HG3 -0.03 -0.11 0.00 -0.04 2.56 2.38 3k9bB1 MET 2301 HE3 0.08 -0.02 -0.03 -0.04 2.10 2.08 3k9bB1 LYS 2302 H -0.21 0.27 -0.50 -0.55 8.42 7.43 3k9bB1 LYS 2302 HA -0.08 -0.03 0.36 -0.75 4.32 3.81 3k9bB1 LYS 2302 HB2 -0.12 0.10 -0.33 -0.04 1.87 1.48 3k9bB1 LYS 2302 HB3 -0.06 -0.04 0.28 -0.04 1.79 1.93 3k9bB1 LYS 2302 HG2 -0.04 -0.07 0.09 -0.04 1.46 1.40 3k9bB1 LYS 2302 HG3 -0.07 0.14 0.02 -0.04 1.46 1.52 3k9bB1 LYS 2302 HD2 -0.04 -0.02 0.02 -0.04 1.69 1.61 3k9bB1 LYS 2302 HD3 -0.04 0.01 0.05 -0.04 1.68 1.65 3k9bB1 LYS 2302 HE2 -0.02 -0.02 0.03 -0.04 2.99 2.94 3k9bB1 LYS 2302 HE3 -0.02 -0.03 0.03 -0.04 2.99 2.92 3k9bB1 PHE 2303 H -0.21 0.03 -0.12 -0.55 8.34 7.49 3k9bB1 PHE 2303 HA 0.01 0.15 0.69 -0.75 4.62 4.73 3k9bB1 PHE 2303 HB2 0.04 -0.08 0.05 -0.04 3.15 3.13 3k9bB1 PHE 2303 HB3 0.02 -0.05 0.22 -0.04 3.06 3.21 3k9bB1 PHE 2303 HD2 0.04 -0.03 0.06 -0.04 7.28 7.31 3k9bB1 PHE 2303 HE2 0.03 -0.06 0.02 -0.04 7.38 7.34 3k9bB1 PHE 2303 HZ 0.04 -0.05 0.01 -0.04 7.32 7.28 3k9bB1 LEU 2304 H 0.18 0.16 -0.02 -0.55 8.37 8.14 3k9bB1 LEU 2304 HA 0.07 -0.03 0.23 -0.75 4.35 3.86 3k9bB1 LEU 2304 HB2 0.05 -0.07 0.06 -0.04 1.64 1.64 3k9bB1 LEU 2304 HB3 0.09 -0.07 -0.13 -0.04 1.64 1.48 3k9bB1 LEU 2304 HG 0.12 0.48 -0.77 -0.04 1.64 1.42 3k9bB1 LEU 2304 HD13 0.03 -0.02 -0.26 -0.04 0.93 0.65 3k9bB1 LEU 2304 HD23 0.08 -0.06 -0.14 -0.04 0.89 0.73 3k9bB1 SER 2305 H 0.07 0.22 -0.77 -0.55 8.46 7.43 3k9bB1 SER 2305 HA 0.03 0.16 0.91 -0.75 4.49 4.84 3k9bB1 SER 2305 HB2 0.01 -0.05 -0.08 -0.04 3.95 3.79 3k9bB1 SER 2305 HB3 0.01 0.20 0.12 -0.04 3.93 4.22 3k9bB1 LEU 2306 H 0.03 0.35 0.05 -0.55 8.37 8.26 3k9bB1 LEU 2306 HA 0.01 0.10 0.26 -0.75 4.35 3.98 3k9bB1 LEU 2306 HB2 0.06 -0.06 -0.02 -0.04 1.64 1.58 3k9bB1 LEU 2306 HB3 -0.04 0.07 0.02 -0.04 1.64 1.64 3k9bB1 LEU 2306 HG -0.00 0.02 0.04 -0.04 1.64 1.66 3k9bB1 LEU 2306 HD13 -0.00 -0.03 -0.06 -0.04 0.93 0.80 3k9bB1 LEU 2306 HD23 -0.10 0.04 0.02 -0.04 0.89 0.81 3k9bB1 LEU 2319 HA -0.10 -0.06 0.16 -0.75 4.35 3.59 3k9bB1 LEU 2319 HB2 0.03 -0.04 -0.21 -0.04 1.64 1.38 3k9bB1 LEU 2319 HB3 0.05 0.06 -0.15 -0.04 1.64 1.55 3k9bB1 LEU 2319 HG -0.37 -0.02 -0.03 -0.04 1.64 1.19 3k9bB1 LEU 2319 HD13 0.14 -0.03 -0.24 -0.04 0.93 0.76 3k9bB1 LEU 2319 HD23 -0.00 0.01 -0.01 -0.04 0.89 0.85 3k9bB1 GLY 2320 H -0.07 0.20 0.14 -0.55 8.43 8.15 3k9bB1 GLY 2320 HA2 -0.54 0.00 0.49 -0.51 4.01 3.46 3k9bB1 GLY 2320 HA3 -0.22 0.20 0.40 -0.51 4.01 3.88 3k9bB1 THR 2321 H -0.17 0.23 0.27 -0.55 8.28 8.05 3k9bB1 THR 2321 HA 0.18 -0.12 0.45 -0.75 4.39 4.15 3k9bB1 THR 2321 HB -0.03 0.06 0.09 -0.04 4.32 4.40 3k9bB1 THR 2321 HG23 -0.05 -0.01 -0.05 -0.04 1.22 1.07 3k9bB1 VAL 2322 H 0.00 0.08 0.28 -0.55 8.24 8.06 3k9bB1 VAL 2322 HA -0.06 0.33 0.79 -0.75 4.13 4.44 3k9bB1 VAL 2322 HB -0.08 -0.02 0.04 -0.04 2.12 2.03 3k9bB1 VAL 2322 HG13 -0.07 0.12 -0.01 -0.04 0.97 0.97 3k9bB1 VAL 2322 HG23 -0.11 -0.03 -0.08 -0.04 0.95 0.68 3k9bB1 ILE 2323 H -0.06 0.26 0.06 -0.55 8.25 7.96 3k9bB1 ILE 2323 HA -0.06 0.07 0.54 -0.75 4.18 3.98 3k9bB1 ILE 2323 HB -0.05 0.00 0.14 -0.04 1.89 1.94 3k9bB1 ILE 2323 HG12 -0.05 0.05 0.00 -0.04 1.49 1.45 3k9bB1 ILE 2323 HG13 -0.05 -0.07 -0.14 -0.04 1.21 0.91 3k9bB1 ILE 2323 HG23 -0.04 0.01 -0.42 -0.04 0.93 0.44 3k9bB1 ILE 2323 HD13 -0.06 0.04 -0.36 -0.04 0.88 0.47 3k9bB1 ASP 2324 H -0.07 0.20 0.11 -0.55 8.40 8.09 3k9bB1 ASP 2324 HA -0.08 0.17 0.44 -0.75 4.63 4.40 3k9bB1 ASP 2324 HB2 -0.13 -0.01 -0.08 -0.04 2.71 2.45 3k9bB1 ASP 2324 HB3 -0.16 0.08 -0.20 -0.04 2.70 2.39 3k9bB1 GLY 2325 H -0.05 0.49 -0.05 -0.55 8.43 8.27 3k9bB1 GLY 2325 HA2 -0.03 0.08 0.25 -0.51 4.01 3.80 3k9bB1 GLY 2325 HA3 -0.03 0.18 0.75 -0.51 4.01 4.40 3k9bB1 MET 2326 H -0.04 -0.13 -0.31 -0.55 8.47 7.45 3k9bB1 MET 2326 HA -0.00 0.26 0.80 -0.75 4.52 4.83 3k9bB1 MET 2326 HB2 -0.02 -0.14 0.05 -0.04 2.15 2.00 3k9bB1 MET 2326 HB3 0.01 0.07 -0.04 -0.04 2.03 2.04 3k9bB1 MET 2326 HG2 -0.01 -0.03 -0.39 -0.04 2.63 2.16 3k9bB1 MET 2326 HG3 0.01 -0.01 -0.10 -0.04 2.56 2.42 3k9bB1 MET 2326 HE3 0.04 0.01 -0.04 -0.04 2.10 2.07 3k9bB1 LEU 2327 H -0.04 0.01 0.06 -0.55 8.37 7.85 3k9bB1 LEU 2327 HA -0.01 0.13 0.48 -0.75 4.35 4.20 3k9bB1 LEU 2327 HB2 -0.02 0.04 0.05 -0.04 1.64 1.67 3k9bB1 LEU 2327 HB3 -0.05 -0.08 0.09 -0.04 1.64 1.56 3k9bB1 LEU 2327 HG -0.07 0.05 -0.15 -0.04 1.64 1.42 3k9bB1 LEU 2327 HD13 -0.00 0.01 -0.08 -0.04 0.93 0.82 3k9bB1 LEU 2327 HD23 -0.11 -0.00 -0.07 -0.04 0.89 0.66 3k9bB1 LEU 2328 H -0.05 -0.09 -0.00 -0.55 8.37 7.68 3k9bB1 LEU 2328 HA -0.05 0.32 0.84 -0.75 4.35 4.70 3k9bB1 LEU 2328 HB2 -0.07 -0.12 0.14 -0.04 1.64 1.55 3k9bB1 LEU 2328 HB3 -0.06 0.14 -0.09 -0.04 1.64 1.59 3k9bB1 LEU 2328 HG -0.11 -0.09 -0.22 -0.04 1.64 1.18 3k9bB1 LEU 2328 HD13 -0.10 0.01 -0.14 -0.04 0.93 0.66 3k9bB1 LEU 2328 HD23 -0.09 0.08 -0.08 -0.04 0.89 0.76 3k9bB1 LEU 2329 H -0.03 0.28 0.05 -0.55 8.37 8.12 3k9bB1 LEU 2329 HA -0.03 0.06 0.59 -0.75 4.35 4.21 3k9bB1 LEU 2329 HB2 -0.02 0.05 -0.01 -0.04 1.64 1.62 3k9bB1 LEU 2329 HB3 -0.02 -0.00 0.03 -0.04 1.64 1.60 3k9bB1 LEU 2329 HG -0.02 0.04 -0.10 -0.04 1.64 1.51 3k9bB1 LEU 2329 HD13 -0.01 0.01 -0.02 -0.04 0.93 0.86 3k9bB1 LEU 2329 HD23 -0.02 -0.05 -0.36 -0.04 0.89 0.42 3k9bB1 LYS 2330 H -0.03 0.22 0.02 -0.55 8.42 8.07 3k9bB1 LYS 2330 HA -0.03 0.13 0.59 -0.75 4.32 4.26 3k9bB1 LYS 2330 HB2 -0.02 0.07 -0.11 -0.04 1.87 1.77 3k9bB1 LYS 2330 HB3 -0.02 -0.10 0.07 -0.04 1.79 1.71 3k9bB1 LYS 2330 HG2 -0.02 0.09 0.01 -0.04 1.46 1.51 3k9bB1 LYS 2330 HG3 -0.02 -0.06 -0.53 -0.04 1.46 0.82 3k9bB1 LYS 2330 HD2 -0.01 -0.04 -0.05 -0.04 1.69 1.55 3k9bB1 LYS 2330 HD3 -0.01 -0.01 -0.05 -0.04 1.68 1.57 3k9bB1 LYS 2330 HE2 -0.01 -0.01 -0.11 -0.04 2.99 2.82 3k9bB1 LYS 2330 HE3 -0.01 0.06 -0.14 -0.04 2.99 2.86 3k9bB1 THR 2331 H -0.03 0.10 0.10 -0.55 8.28 7.90 3k9bB1 THR 2331 HA -0.05 0.18 0.38 -0.75 4.39 4.15 3k9bB1 THR 2331 HB -0.05 0.07 0.09 -0.04 4.32 4.39 3k9bB1 THR 2331 HG23 -0.04 0.03 0.05 -0.04 1.22 1.21 3k9bB1 PRO 2332 HA -0.05 0.16 0.30 -0.51 4.44 4.34 3k9bB1 PRO 2332 HB2 -0.07 0.01 -0.18 -0.04 2.28 2.00 3k9bB1 PRO 2332 HB3 -0.08 0.01 -0.09 -0.04 2.02 1.82 3k9bB1 PRO 2332 HG2 -0.08 0.08 -0.05 -0.04 2.03 1.95 3k9bB1 PRO 2332 HG3 -0.09 0.07 -0.07 -0.04 2.03 1.90 3k9bB1 PRO 2332 HD2 -0.06 0.08 0.14 -0.04 3.68 3.80 3k9bB1 PRO 2332 HD3 -0.07 0.25 -0.11 -0.04 3.65 3.69 3k9bB1 GLU 2333 H -0.04 0.03 -0.40 -0.55 8.60 7.64 3k9bB1 GLU 2333 HA -0.02 0.13 0.39 -0.75 4.29 4.04 3k9bB1 GLU 2333 HB2 -0.04 0.02 0.03 -0.04 2.09 2.06 3k9bB1 GLU 2333 HB3 -0.03 -0.13 0.06 -0.04 1.99 1.85 3k9bB1 GLU 2333 HG2 -0.02 0.01 -0.05 -0.04 2.34 2.24 3k9bB1 GLU 2333 HG3 -0.01 0.04 -0.22 -0.04 2.34 2.11 3k9bB1 GLU 2334 H -0.02 -0.04 -0.11 -0.55 8.60 7.89 3k9bB1 GLU 2334 HA 0.00 0.05 0.30 -0.75 4.29 3.89 3k9bB1 GLU 2334 HB2 -0.01 0.03 0.06 -0.04 2.09 2.13 3k9bB1 GLU 2334 HB3 -0.01 0.05 -0.03 -0.04 1.99 1.97 3k9bB1 GLU 2334 HG2 -0.01 0.06 0.04 -0.04 2.34 2.39 3k9bB1 GLU 2334 HG3 -0.02 -0.08 0.08 -0.04 2.34 2.28 3k9bB1 LEU 2335 H 0.00 0.55 -0.40 -0.55 8.37 7.98 3k9bB1 LEU 2335 HA 0.04 0.02 0.36 -0.75 4.35 4.01 3k9bB1 LEU 2335 HB2 0.00 -0.03 -0.05 -0.04 1.64 1.53 3k9bB1 LEU 2335 HB3 0.07 0.09 -0.02 -0.04 1.64 1.74 3k9bB1 LEU 2335 HG -0.01 -0.08 -0.25 -0.04 1.64 1.26 3k9bB1 LEU 2335 HD13 -0.03 -0.03 -0.06 -0.04 0.93 0.77 3k9bB1 LEU 2335 HD23 0.00 -0.00 -0.00 -0.04 0.89 0.85 3k9bB1 GLN 2336 H 0.05 0.34 -0.49 -0.55 8.47 7.82 3k9bB1 GLN 2336 HA 0.35 0.18 0.56 -0.75 4.36 4.70 3k9bB1 GLN 2336 HB2 0.04 0.04 0.16 -0.04 2.15 2.35 3k9bB1 GLN 2336 HB3 0.09 -0.08 0.07 -0.04 2.02 2.06 3k9bB1 GLN 2336 HG2 -0.12 0.02 -0.13 -0.04 2.40 2.13 3k9bB1 GLN 2336 HG3 -0.03 0.38 0.04 -0.04 2.39 2.73 3k9bB1 GLN 2336 HE21 -0.07 -0.17 0.01 -0.04 6.97 6.70 3k9bB1 GLN 2336 HE22 -0.21 0.10 -0.07 -0.04 7.69 7.47 3k9bB1 PHE 2341 HA -0.25 -0.09 0.19 -0.75 4.62 3.72 3k9bB1 PHE 2341 HB2 -0.10 0.19 -0.04 -0.04 3.15 3.17 3k9bB1 PHE 2341 HB3 -0.09 -0.07 0.03 -0.04 3.06 2.88 3k9bB1 PHE 2341 HD2 -0.00 0.14 -0.71 -0.04 7.28 6.67 3k9bB1 PHE 2341 HE2 -0.11 0.01 -0.17 -0.04 7.38 7.07 3k9bB1 PHE 2341 HZ -0.01 0.05 -0.21 -0.04 7.32 7.10 3k9bB1 HIS 2342 H -0.34 0.25 0.07 -0.55 8.41 7.85 3k9bB1 HIS 2342 HA 0.03 -0.06 0.37 -0.75 4.63 4.20 3k9bB1 HIS 2342 HB2 0.08 0.04 0.16 -0.04 3.26 3.50 3k9bB1 HIS 2342 HB3 -0.07 -0.02 -0.00 -0.04 3.20 3.06 3k9bB1 HIS 2342 HD2 -0.03 -0.02 -0.02 -0.04 6.97 6.85 3k9bB1 HIS 2342 HE1 0.01 0.18 -0.07 -0.04 7.75 7.83 3k9bB1 THR 2343 H 0.08 0.08 0.18 -0.55 8.28 8.08 3k9bB1 THR 2343 HA 0.13 0.14 0.57 -0.75 4.39 4.47 3k9bB1 THR 2343 HB -0.07 0.10 0.12 -0.04 4.32 4.43 3k9bB1 THR 2343 HG23 0.00 -0.03 0.18 -0.04 1.22 1.33 3k9bB1 VAL 2344 H 0.33 0.47 0.04 -0.55 8.24 8.53 3k9bB1 VAL 2344 HA 0.12 0.17 0.92 -0.75 4.13 4.58 3k9bB1 VAL 2344 HB 0.13 0.23 -0.17 -0.04 2.12 2.27 3k9bB1 VAL 2344 HG13 -0.02 -0.04 -0.22 -0.04 0.97 0.64 3k9bB1 VAL 2344 HG23 0.28 0.04 -0.27 -0.04 0.95 0.96 3k9bB1 PRO 2345 HA 0.32 0.21 0.49 -0.51 4.44 4.95 3k9bB1 PRO 2345 HB2 -0.04 -0.04 0.26 -0.04 2.28 2.42 3k9bB1 PRO 2345 HB3 0.05 0.01 0.11 -0.04 2.02 2.14 3k9bB1 PRO 2345 HG2 -0.06 0.05 0.22 -0.04 2.03 2.20 3k9bB1 PRO 2345 HG3 0.13 0.05 0.18 -0.04 2.03 2.34 3k9bB1 PRO 2345 HD2 0.04 0.35 0.38 -0.04 3.68 4.41 3k9bB1 PRO 2345 HD3 0.07 0.12 0.26 -0.04 3.65 4.06 3k9bB1 TYR 2346 H 0.34 0.41 0.27 -0.55 8.29 8.75 3k9bB1 TYR 2346 HA 0.06 0.15 0.77 -0.75 4.56 4.79 3k9bB1 TYR 2346 HB2 -0.48 0.20 -0.09 -0.04 3.06 2.64 3k9bB1 TYR 2346 HB3 -0.53 -0.04 0.14 -0.04 2.98 2.50 3k9bB1 TYR 2346 HD2 -0.32 0.06 -0.08 -0.04 7.15 6.77 3k9bB1 TYR 2346 HE2 -0.16 -0.12 -0.14 -0.04 6.85 6.39 3k9bB1 MET 2347 H -0.26 0.47 0.31 -0.55 8.47 8.44 3k9bB1 MET 2347 HA -0.24 0.14 0.76 -0.75 4.52 4.43 3k9bB1 MET 2347 HB2 -0.57 0.07 0.35 -0.04 2.15 1.96 3k9bB1 MET 2347 HB3 -0.37 -0.12 -0.30 -0.04 2.03 1.20 3k9bB1 MET 2347 HG2 -0.73 0.02 0.11 -0.04 2.63 1.99 3k9bB1 MET 2347 HG3 -1.69 0.08 -0.01 -0.04 2.56 0.89 3k9bB1 MET 2347 HE3 -1.60 0.01 -0.16 -0.04 2.10 0.31 3k9bB1 VAL 2348 H -0.21 0.81 0.35 -0.55 8.24 8.64 3k9bB1 VAL 2348 HA -0.36 0.17 1.12 -0.75 4.13 4.31 3k9bB1 VAL 2348 HB -0.34 -0.03 0.12 -0.04 2.12 1.84 3k9bB1 VAL 2348 HG13 -0.25 -0.01 -0.04 -0.04 0.97 0.62 3k9bB1 VAL 2348 HG23 -0.80 0.01 -0.25 -0.04 0.95 -0.14 3k9bB1 GLY 2349 H -0.33 0.49 0.38 -0.55 8.43 8.42 3k9bB1 GLY 2349 HA2 -0.61 0.21 1.10 -0.51 4.01 4.20 3k9bB1 GLY 2349 HA3 -2.19 -0.01 0.36 -0.51 4.01 1.66 3k9bB1 ILE 2350 H -0.34 0.57 0.41 -0.55 8.25 8.34 3k9bB1 ILE 2350 HA -0.09 0.06 0.93 -0.75 4.18 4.33 3k9bB1 ILE 2350 HB -0.02 -0.05 0.13 -0.04 1.89 1.91 3k9bB1 ILE 2350 HG12 -0.11 0.06 0.05 -0.04 1.49 1.45 3k9bB1 ILE 2350 HG13 -0.01 0.01 -0.46 -0.04 1.21 0.71 3k9bB1 ILE 2350 HG23 -0.06 0.01 -0.25 -0.04 0.93 0.59 3k9bB1 ILE 2350 HD13 -0.02 0.01 -0.07 -0.04 0.88 0.76 3k9bB1 ASN 2351 H -0.03 0.15 0.17 -0.55 8.53 8.28 3k9bB1 ASN 2351 HA 0.22 0.17 1.07 -0.75 4.76 5.46 3k9bB1 ASN 2351 HB2 0.04 -0.08 -0.14 -0.04 2.88 2.67 3k9bB1 ASN 2351 HB3 0.18 0.21 -0.10 -0.04 2.79 3.04 3k9bB1 ASN 2351 HD21 -0.06 -0.19 -0.00 -0.04 7.03 6.73 3k9bB1 ASN 2351 HD22 -0.01 0.05 -0.04 -0.04 7.74 7.70 3k9bB1 LYS 2352 H 0.15 0.67 0.36 -0.55 8.42 9.05 3k9bB1 LYS 2352 HA 0.08 -0.02 0.38 -0.75 4.32 4.00 3k9bB1 LYS 2352 HB2 0.08 0.02 0.19 -0.04 1.87 2.12 3k9bB1 LYS 2352 HB3 0.09 0.07 0.29 -0.04 1.79 2.20 3k9bB1 LYS 2352 HG2 0.07 0.01 -0.16 -0.04 1.46 1.33 3k9bB1 LYS 2352 HG3 0.06 -0.03 0.02 -0.04 1.46 1.47 3k9bB1 LYS 2352 HD2 0.03 -0.04 -0.04 -0.04 1.69 1.61 3k9bB1 LYS 2352 HD3 0.04 0.03 -0.07 -0.04 1.68 1.64 3k9bB1 LYS 2352 HE2 0.04 0.01 -0.03 -0.04 2.99 2.97 3k9bB1 LYS 2352 HE3 0.04 -0.01 -0.03 -0.04 2.99 2.95 3k9bB1 GLN 2353 H 0.10 0.52 -0.02 -0.55 8.47 8.53 3k9bB1 GLN 2353 HA 0.09 0.17 0.99 -0.75 4.36 4.86 3k9bB1 GLN 2353 HB2 0.10 0.01 -0.03 -0.04 2.15 2.19 3k9bB1 GLN 2353 HB3 0.11 -0.13 0.03 -0.04 2.02 1.99 3k9bB1 GLN 2353 HG2 0.08 0.05 -0.06 -0.04 2.40 2.44 3k9bB1 GLN 2353 HG3 0.07 0.03 -0.18 -0.04 2.39 2.27 3k9bB1 GLN 2353 HE21 0.05 0.07 0.00 -0.04 6.97 7.05 3k9bB1 GLN 2353 HE22 0.06 0.02 -0.02 -0.04 7.69 7.71 3k9bB1 GLU 2354 H 0.07 0.32 0.04 -0.55 8.60 8.48 3k9bB1 GLU 2354 HA 0.00 -0.01 0.43 -0.75 4.29 3.96 3k9bB1 GLU 2354 HB2 0.09 0.02 0.20 -0.04 2.09 2.37 3k9bB1 GLU 2354 HB3 -0.39 0.03 0.10 -0.04 1.99 1.69 3k9bB1 GLU 2354 HG2 -0.07 0.29 0.12 -0.04 2.34 2.64 3k9bB1 GLU 2354 HG3 -0.30 0.01 0.11 -0.04 2.34 2.12 3k9bB1 PHE 2355 H 0.21 0.17 -0.12 -0.55 8.34 8.05 3k9bB1 PHE 2355 HA -0.00 0.23 0.92 -0.75 4.62 5.01 3k9bB1 PHE 2355 HB2 -0.02 0.03 0.11 -0.04 3.15 3.24 3k9bB1 PHE 2355 HB3 -0.03 0.05 0.10 -0.04 3.06 3.14 3k9bB1 PHE 2355 HD2 -0.06 -0.02 -0.06 -0.04 7.28 7.09 3k9bB1 PHE 2355 HE2 -0.34 0.05 -0.08 -0.04 7.38 6.98 3k9bB1 PHE 2355 HZ -0.19 0.07 -0.10 -0.04 7.32 7.06 3k9bB1 GLY 2356 H 0.12 0.28 -0.55 -0.55 8.43 7.73 3k9bB1 GLY 2356 HA2 0.16 0.09 0.19 -0.51 4.01 3.94 3k9bB1 GLY 2356 HA3 0.16 0.02 0.22 -0.51 4.01 3.90 3k9bB1 TRP 2357 H 0.15 -0.09 -0.10 -0.55 7.97 7.38 3k9bB1 TRP 2357 HA 0.01 0.21 0.55 -0.75 4.62 4.64 3k9bB1 TRP 2357 HB2 0.03 0.16 -0.24 -0.04 3.23 3.14 3k9bB1 TRP 2357 HB3 0.03 -0.13 -0.00 -0.04 3.23 3.09 3k9bB1 TRP 2357 HD1 0.03 0.06 0.10 -0.04 7.22 7.37 3k9bB1 TRP 2357 HE1 0.03 0.06 -0.03 -0.04 10.20 10.21 3k9bB1 TRP 2357 HE3 0.05 -0.07 -0.06 -0.04 7.59 7.46 3k9bB1 TRP 2357 HZ2 0.02 0.03 -0.22 -0.04 7.44 7.22 3k9bB1 TRP 2357 HZ3 0.04 0.01 -0.02 -0.04 7.13 7.12 3k9bB1 TRP 2357 HH2 0.02 -0.03 -0.10 -0.04 7.19 7.04 3k9bB1 LEU 2358 H 0.23 0.05 0.13 -0.55 8.37 8.24 3k9bB1 LEU 2358 HA -0.46 0.12 0.36 -0.75 4.35 3.62 3k9bB1 LEU 2358 HB2 0.23 0.06 0.14 -0.04 1.64 2.03 3k9bB1 LEU 2358 HB3 0.14 -0.12 0.20 -0.04 1.64 1.82 3k9bB1 LEU 2358 HG 0.00 0.00 -0.31 -0.04 1.64 1.29 3k9bB1 LEU 2358 HD13 -0.11 0.01 0.01 -0.04 0.93 0.80 3k9bB1 LEU 2358 HD23 0.37 0.00 -0.06 -0.04 0.89 1.16 3k9bB1 ILE 2359 H -0.22 0.05 -0.04 -0.55 8.25 7.49 3k9bB1 ILE 2359 HA -0.18 0.09 0.48 -0.75 4.18 3.82 3k9bB1 ILE 2359 HB -0.72 0.05 0.09 -0.04 1.89 1.26 3k9bB1 ILE 2359 HG12 -0.27 0.00 0.02 -0.04 1.49 1.21 3k9bB1 ILE 2359 HG13 -0.31 -0.12 0.10 -0.04 1.21 0.84 3k9bB1 ILE 2359 HG23 -0.17 0.02 -0.14 -0.04 0.93 0.60 3k9bB1 ILE 2359 HD13 -0.52 0.02 0.02 -0.04 0.88 0.36 3k9bB1 PRO 2360 HA -0.07 0.05 0.28 -0.51 4.44 4.19 3k9bB1 PRO 2360 HB2 -0.08 0.09 -0.07 -0.04 2.28 2.18 3k9bB1 PRO 2360 HB3 -0.10 0.03 -0.02 -0.04 2.02 1.89 3k9bB1 PRO 2360 HG2 -0.19 -0.02 -0.19 -0.04 2.03 1.58 3k9bB1 PRO 2360 HG3 0.11 0.11 0.03 -0.04 2.03 2.23 3k9bB1 PRO 2360 HD2 -1.01 -0.08 0.06 -0.04 3.68 2.61 3k9bB1 PRO 2360 HD3 -1.04 0.17 -0.11 -0.04 3.65 2.63 3k9bB1 MET 2361 H -0.34 0.50 -0.43 -0.55 8.47 7.65 3k9bB1 MET 2361 HA -0.17 0.02 0.41 -0.75 4.52 4.02 3k9bB1 MET 2361 HB2 -0.98 0.03 0.07 -0.04 2.15 1.23 3k9bB1 MET 2361 HB3 -0.74 0.04 0.15 -0.04 2.03 1.45 3k9bB1 MET 2361 HG2 -0.38 0.02 -0.19 -0.04 2.63 2.04 3k9bB1 MET 2361 HG3 -0.29 -0.01 -0.02 -0.04 2.56 2.20 3k9bB1 MET 2361 HE3 0.03 -0.01 -0.05 -0.04 2.10 2.02 3k9bB1 LEU 2363 H -0.26 0.44 0.06 -0.55 8.37 8.08 3k9bB1 LEU 2363 HA -0.12 -0.02 0.38 -0.75 4.35 3.84 3k9bB1 LEU 2363 HB2 -0.11 0.03 0.21 -0.04 1.64 1.74 3k9bB1 LEU 2363 HB3 -0.07 -0.01 0.04 -0.04 1.64 1.56 3k9bB1 LEU 2363 HG -0.22 0.20 0.18 -0.04 1.64 1.76 3k9bB1 LEU 2363 HD13 -0.11 -0.05 -0.03 -0.04 0.93 0.70 3k9bB1 LEU 2363 HD23 -0.13 -0.02 0.01 -0.04 0.89 0.70 3k9bB1 MET 2364 H -0.04 0.46 -0.14 -0.55 8.47 8.21 3k9bB1 MET 2364 HA 0.02 0.38 0.56 -0.75 4.52 4.72 3k9bB1 MET 2364 HB2 0.14 0.00 -0.05 -0.04 2.15 2.21 3k9bB1 MET 2364 HB3 0.11 -0.16 0.02 -0.04 2.03 1.96 3k9bB1 MET 2364 HG2 0.03 0.16 -0.06 -0.04 2.63 2.71 3k9bB1 MET 2364 HG3 -0.00 0.00 -0.01 -0.04 2.56 2.51 3k9bB1 MET 2364 HE3 0.07 0.01 -0.24 -0.04 2.10 1.90 3k9bB1 SER 2365 H -0.01 0.46 -0.70 -0.55 8.46 7.67 3k9bB1 SER 2365 HA 0.01 0.02 0.35 -0.75 4.49 4.11 3k9bB1 SER 2365 HB2 0.00 0.20 0.31 -0.04 3.95 4.42 3k9bB1 SER 2365 HB3 0.00 -0.12 0.18 -0.04 3.93 3.95 3k9bB1 TYR 2366 H 0.17 0.64 0.07 -0.55 8.29 8.61 3k9bB1 TYR 2366 HA 0.04 0.10 0.31 -0.75 4.56 4.26 3k9bB1 TYR 2366 HB2 0.05 0.18 0.17 -0.04 3.06 3.42 3k9bB1 TYR 2366 HB3 0.07 -0.12 -0.11 -0.04 2.98 2.77 3k9bB1 TYR 2366 HD2 0.12 -0.01 -0.21 -0.04 7.15 7.00 3k9bB1 TYR 2366 HE2 0.19 -0.02 -0.12 -0.04 6.85 6.86 3k9bB1 PRO 2367 HA -0.00 0.08 0.53 -0.51 4.44 4.54 3k9bB1 PRO 2367 HB2 -0.11 -0.06 0.24 -0.04 2.28 2.31 3k9bB1 PRO 2367 HB3 -0.06 0.01 0.12 -0.04 2.02 2.04 3k9bB1 PRO 2367 HG2 -0.22 -0.00 0.08 -0.04 2.03 1.85 3k9bB1 PRO 2367 HG3 -0.14 0.17 0.08 -0.04 2.03 2.10 3k9bB1 PRO 2367 HD2 -0.92 0.01 0.10 -0.04 3.68 2.84 3k9bB1 PRO 2367 HD3 -0.50 0.20 0.19 -0.04 3.65 3.50 3k9bB1 LEU 2368 H 0.11 0.40 0.03 -0.55 8.37 8.35 3k9bB1 LEU 2368 HA 0.09 0.16 0.54 -0.75 4.35 4.39 3k9bB1 LEU 2368 HB2 0.23 0.04 -0.16 -0.04 1.64 1.71 3k9bB1 LEU 2368 HB3 0.16 -0.03 0.02 -0.04 1.64 1.74 3k9bB1 LEU 2368 HG 0.45 0.04 -0.56 -0.04 1.64 1.53 3k9bB1 LEU 2368 HD13 0.27 -0.02 -0.12 -0.04 0.93 1.02 3k9bB1 LEU 2368 HD23 0.09 0.01 0.07 -0.04 0.89 1.02 3k9bB1 ALA 2378 HA -0.38 0.02 0.24 -0.75 4.34 3.47 3k9bB1 ALA 2378 HB3 0.07 0.01 0.04 -0.04 1.41 1.49 3k9bB1 MET 2379 H 0.06 0.22 0.08 -0.55 8.47 8.28 3k9bB1 MET 2379 HA 0.17 0.03 0.33 -0.75 4.52 4.30 3k9bB1 MET 2379 HB2 0.05 0.02 0.06 -0.04 2.15 2.25 3k9bB1 MET 2379 HB3 0.08 0.02 0.01 -0.04 2.03 2.10 3k9bB1 MET 2379 HG2 0.10 -0.01 -0.12 -0.04 2.63 2.56 3k9bB1 MET 2379 HG3 0.07 0.03 0.06 -0.04 2.56 2.67 3k9bB1 MET 2379 HE3 0.02 0.01 0.01 -0.04 2.10 2.10 3k9bB1 SER 2380 H 0.04 0.14 -0.29 -0.55 8.46 7.81 3k9bB1 SER 2380 HA 0.12 0.07 0.37 -0.75 4.49 4.30 3k9bB1 SER 2380 HB2 0.01 -0.03 0.10 -0.04 3.95 3.99 3k9bB1 SER 2380 HB3 0.05 0.06 0.01 -0.04 3.93 4.00 3k9bB1 LEU 2381 H -0.03 0.13 -0.10 -0.55 8.37 7.82 3k9bB1 LEU 2381 HA 0.01 0.06 0.35 -0.75 4.35 4.02 3k9bB1 LEU 2381 HB2 -0.29 0.01 0.13 -0.04 1.64 1.45 3k9bB1 LEU 2381 HB3 -0.03 0.02 -0.11 -0.04 1.64 1.48 3k9bB1 LEU 2381 HG -0.11 -0.05 0.09 -0.04 1.64 1.54 3k9bB1 LEU 2381 HD13 -0.10 0.06 -0.05 -0.04 0.93 0.81 3k9bB1 LEU 2381 HD23 -0.19 0.01 0.03 -0.04 0.89 0.70 3k9bB1 LEU 2382 H 0.19 0.79 -0.09 -0.55 8.37 8.71 3k9bB1 LEU 2382 HA 0.44 -0.00 0.28 -0.75 4.35 4.32 3k9bB1 LEU 2382 HB2 0.51 0.06 -0.01 -0.04 1.64 2.16 3k9bB1 LEU 2382 HB3 0.32 0.01 0.08 -0.04 1.64 2.01 3k9bB1 LEU 2382 HG 0.27 0.02 -0.15 -0.04 1.64 1.74 3k9bB1 LEU 2382 HD13 0.11 -0.00 -0.05 -0.04 0.93 0.95 3k9bB1 LEU 2382 HD23 0.26 -0.03 -0.07 -0.04 0.89 1.01 3k9bB1 TRP 2383 H 0.39 0.54 -0.19 -0.55 7.97 8.16 3k9bB1 TRP 2383 HA 0.17 -0.01 0.43 -0.75 4.62 4.46 3k9bB1 TRP 2383 HB2 0.08 -0.06 0.17 -0.04 3.23 3.38 3k9bB1 TRP 2383 HB3 0.06 0.20 0.23 -0.04 3.23 3.68 3k9bB1 TRP 2383 HD1 0.02 0.01 -0.05 -0.04 7.22 7.16 3k9bB1 TRP 2383 HE1 -0.02 -0.01 -0.02 -0.04 10.20 10.10 3k9bB1 TRP 2383 HE3 0.14 -0.03 0.09 -0.04 7.59 7.75 3k9bB1 TRP 2383 HZ2 -0.13 -0.01 0.01 -0.04 7.44 7.28 3k9bB1 TRP 2383 HZ3 0.03 0.02 0.04 -0.04 7.13 7.17 3k9bB1 TRP 2383 HH2 -0.24 0.00 0.02 -0.04 7.19 6.92 3k9bB1 LYS 2384 H 0.16 0.49 -0.04 -0.55 8.42 8.48 3k9bB1 LYS 2384 HA -0.16 -0.01 0.48 -0.75 4.32 3.87 3k9bB1 LYS 2384 HB2 0.02 0.05 0.18 -0.04 1.87 2.08 3k9bB1 LYS 2384 HB3 -0.05 -0.02 0.08 -0.04 1.79 1.75 3k9bB1 LYS 2384 HG2 0.13 0.04 0.04 -0.04 1.46 1.64 3k9bB1 LYS 2384 HG3 0.02 -0.06 -0.01 -0.04 1.46 1.37 3k9bB1 LYS 2384 HD2 -0.01 0.02 0.06 -0.04 1.69 1.73 3k9bB1 LYS 2384 HD3 -0.00 0.01 0.08 -0.04 1.68 1.72 3k9bB1 LYS 2384 HE2 0.14 -0.03 0.00 -0.04 2.99 3.07 3k9bB1 LYS 2384 HE3 0.05 -0.02 0.01 -0.04 2.99 2.98 3k9bB1 SER 2385 H 0.07 0.46 -0.62 -0.55 8.46 7.81 3k9bB1 SER 2385 HA 0.04 0.07 0.62 -0.75 4.49 4.46 3k9bB1 SER 2385 HB2 0.15 0.14 0.09 -0.04 3.95 4.28 3k9bB1 SER 2385 HB3 0.15 -0.14 0.09 -0.04 3.93 3.99 3k9bB1 TYR 2386 H -0.12 0.49 -0.43 -0.55 8.29 7.68 3k9bB1 TYR 2386 HA -0.15 -0.07 0.40 -0.75 4.56 3.98 3k9bB1 TYR 2386 HB2 -0.84 0.31 0.25 -0.04 3.06 2.74 3k9bB1 TYR 2386 HB3 -0.44 0.01 0.08 -0.04 2.98 2.59 3k9bB1 TYR 2386 HD2 -0.23 0.01 -0.06 -0.04 7.15 6.83 3k9bB1 TYR 2386 HE2 0.03 -0.00 -0.02 -0.04 6.85 6.81 3k9bB1 PRO 2387 HA -0.08 0.09 0.42 -0.51 4.44 4.36 3k9bB1 PRO 2387 HB2 -0.01 0.03 0.04 -0.04 2.28 2.30 3k9bB1 PRO 2387 HB3 0.01 0.01 0.09 -0.04 2.02 2.09 3k9bB1 PRO 2387 HG2 -0.00 0.01 -0.05 -0.04 2.03 1.95 3k9bB1 PRO 2387 HG3 -0.02 0.06 0.05 -0.04 2.03 2.08 3k9bB1 PRO 2387 HD2 -0.04 0.13 -0.34 -0.04 3.68 3.39 3k9bB1 PRO 2387 HD3 -0.04 0.05 -0.66 -0.04 3.65 2.95 3k9bB1 LEU 2388 H -0.10 0.53 -0.54 -0.55 8.37 7.72 3k9bB1 LEU 2388 HA -0.09 0.18 0.95 -0.75 4.35 4.63 3k9bB1 LEU 2388 HB2 -0.00 0.10 -0.00 -0.04 1.64 1.69 3k9bB1 LEU 2388 HB3 -0.02 -0.10 0.03 -0.04 1.64 1.51 3k9bB1 LEU 2388 HG 0.04 0.02 -0.17 -0.04 1.64 1.48 3k9bB1 LEU 2388 HD13 0.18 -0.02 -0.09 -0.04 0.93 0.96 3k9bB1 LEU 2388 HD23 0.01 0.04 -0.30 -0.04 0.89 0.60 3k9bB1 VAL 2389 H -0.19 0.28 -0.03 -0.55 8.24 7.76 3k9bB1 VAL 2389 HA -0.18 0.20 0.73 -0.75 4.13 4.13 3k9bB1 VAL 2389 HB -0.10 -0.06 -0.01 -0.04 2.12 1.91 3k9bB1 VAL 2389 HG13 -0.16 -0.01 -0.25 -0.04 0.97 0.51 3k9bB1 VAL 2389 HG23 -0.03 0.06 -0.12 -0.04 0.95 0.82 3k9bB1 LEU 2395 HA 0.01 -0.03 0.23 -0.75 4.35 3.81 3k9bB1 LEU 2395 HB2 0.10 -0.04 0.25 -0.04 1.64 1.91 3k9bB1 LEU 2395 HB3 -0.04 -0.04 -0.01 -0.04 1.64 1.51 3k9bB1 LEU 2395 HG 0.11 -0.04 0.08 -0.04 1.64 1.75 3k9bB1 LEU 2395 HD13 0.12 0.03 0.02 -0.04 0.93 1.06 3k9bB1 LEU 2395 HD23 0.01 0.02 0.07 -0.04 0.89 0.95 3k9bB1 ILE 2396 H 0.14 0.25 0.12 -0.55 8.25 8.22 3k9bB1 ILE 2396 HA 0.17 -0.01 0.25 -0.75 4.18 3.84 3k9bB1 ILE 2396 HB 0.11 0.04 0.13 -0.04 1.89 2.13 3k9bB1 ILE 2396 HG12 0.25 0.07 0.19 -0.04 1.49 1.96 3k9bB1 ILE 2396 HG13 0.33 0.04 0.08 -0.04 1.21 1.62 3k9bB1 ILE 2396 HG23 0.20 0.01 -0.05 -0.04 0.93 1.04 3k9bB1 ILE 2396 HD13 0.36 -0.01 -0.05 -0.04 0.88 1.14 3k9bB1 PRO 2397 HA 0.07 -0.02 0.42 -0.51 4.44 4.40 3k9bB1 PRO 2397 HB2 0.02 0.04 0.04 -0.04 2.28 2.35 3k9bB1 PRO 2397 HB3 0.03 0.02 0.06 -0.04 2.02 2.08 3k9bB1 PRO 2397 HG2 0.01 0.10 0.02 -0.04 2.03 2.11 3k9bB1 PRO 2397 HG3 0.01 0.04 0.04 -0.04 2.03 2.08 3k9bB1 PRO 2397 HD2 0.05 0.14 0.10 -0.04 3.68 3.93 3k9bB1 PRO 2397 HD3 0.06 0.07 -0.06 -0.04 3.65 3.68 3k9bB1 GLU 2398 H 0.04 0.36 -0.08 -0.55 8.60 8.36 3k9bB1 GLU 2398 HA 0.04 -0.01 0.39 -0.75 4.29 3.96 3k9bB1 GLU 2398 HB2 0.01 -0.01 0.13 -0.04 2.09 2.18 3k9bB1 GLU 2398 HB3 -0.01 0.16 0.12 -0.04 1.99 2.22 3k9bB1 GLU 2398 HG2 -0.03 0.04 -0.01 -0.04 2.34 2.29 3k9bB1 GLU 2398 HG3 0.15 -0.03 -0.22 -0.04 2.34 2.20 3k9bB1 ALA 2399 H 0.07 0.37 -0.25 -0.55 8.40 8.05 3k9bB1 ALA 2399 HA 0.20 0.03 0.42 -0.75 4.34 4.23 3k9bB1 ALA 2399 HB3 0.14 0.02 -0.04 -0.04 1.41 1.50 3k9bB1 THR 2400 H 0.15 0.78 0.06 -0.55 8.28 8.72 3k9bB1 THR 2400 HA 0.21 0.00 0.28 -0.75 4.39 4.12 3k9bB1 THR 2400 HB 0.15 -0.06 -0.02 -0.04 4.32 4.35 3k9bB1 THR 2400 HG23 0.21 0.03 -0.11 -0.04 1.22 1.31 3k9bB1 GLU 2401 H 0.09 0.62 -0.41 -0.55 8.60 8.35 3k9bB1 GLU 2401 HA 0.06 -0.01 0.46 -0.75 4.29 4.03 3k9bB1 GLU 2401 HB2 0.04 0.04 0.09 -0.04 2.09 2.22 3k9bB1 GLU 2401 HB3 0.04 0.17 0.20 -0.04 1.99 2.36 3k9bB1 GLU 2401 HG2 0.00 -0.03 -0.16 -0.04 2.34 2.12 3k9bB1 GLU 2401 HG3 0.02 -0.05 0.01 -0.04 2.34 2.28 3k9bB1 LYS 2402 H 0.03 0.77 0.12 -0.55 8.42 8.78 3k9bB1 LYS 2402 HA -0.14 -0.05 0.39 -0.75 4.32 3.77 3k9bB1 LYS 2402 HB2 -0.22 0.05 0.17 -0.04 1.87 1.83 3k9bB1 LYS 2402 HB3 -0.19 0.09 0.18 -0.04 1.79 1.82 3k9bB1 LYS 2402 HG2 -2.09 -0.04 -0.02 -0.04 1.46 -0.73 3k9bB1 LYS 2402 HG3 -0.74 -0.01 -0.12 -0.04 1.46 0.54 3k9bB1 LYS 2402 HD2 -0.33 -0.02 0.13 -0.04 1.69 1.42 3k9bB1 LYS 2402 HD3 -0.38 0.01 0.05 -0.04 1.68 1.32 3k9bB1 LYS 2402 HE2 -0.86 -0.01 -0.01 -0.04 2.99 2.07 3k9bB1 LYS 2402 HE3 -0.43 -0.03 0.01 -0.04 2.99 2.50 3k9bB1 TYR 2403 H 0.20 0.37 -0.51 -0.55 8.29 7.80 3k9bB1 TYR 2403 HA -0.04 0.14 0.92 -0.75 4.56 4.82 3k9bB1 TYR 2403 HB2 0.08 0.07 -0.01 -0.04 3.06 3.15 3k9bB1 TYR 2403 HB3 0.06 0.04 -0.02 -0.04 2.98 3.02 3k9bB1 TYR 2403 HD2 -0.01 0.07 -0.05 -0.04 7.15 7.13 3k9bB1 TYR 2403 HE2 0.17 -0.02 -0.14 -0.04 6.85 6.81 3k9bB1 LEU 2404 H 0.11 0.32 -0.02 -0.55 8.37 8.24 3k9bB1 LEU 2404 HA 0.09 0.13 0.99 -0.75 4.35 4.82 3k9bB1 LEU 2404 HB2 0.10 0.06 0.08 -0.04 1.64 1.83 3k9bB1 LEU 2404 HB3 0.09 -0.09 0.14 -0.04 1.64 1.75 3k9bB1 LEU 2404 HG 0.20 0.20 -0.01 -0.04 1.64 2.00 3k9bB1 LEU 2404 HD13 0.16 -0.05 -0.02 -0.04 0.93 0.98 3k9bB1 LEU 2404 HD23 0.21 0.05 -0.39 -0.04 0.89 0.71 3k9bB1 GLY 2405 H 0.02 0.62 0.16 -0.55 8.43 8.68 3k9bB1 GLY 2405 HA2 0.02 0.04 0.44 -0.51 4.01 4.00 3k9bB1 GLY 2405 HA3 0.00 0.04 0.33 -0.51 4.01 3.87 3k9bB1 GLY 2406 H -0.01 0.15 -0.11 -0.55 8.43 7.91 3k9bB1 GLY 2406 HA2 -0.01 0.03 0.29 -0.51 4.01 3.81 3k9bB1 GLY 2406 HA3 -0.01 0.01 0.26 -0.51 4.01 3.76 3k9bB1 THR 2407 H 0.02 0.41 -0.79 -0.55 8.28 7.36 3k9bB1 THR 2407 HA 0.01 0.09 0.78 -0.75 4.39 4.52 3k9bB1 THR 2407 HB 0.03 0.06 -0.08 -0.04 4.32 4.30 3k9bB1 THR 2407 HG23 0.02 -0.09 0.03 -0.04 1.22 1.14 3k9bB1 ASP 2408 H 0.02 0.10 0.15 -0.55 8.40 8.12 3k9bB1 ASP 2408 HA 0.02 0.25 0.67 -0.75 4.63 4.82 3k9bB1 ASP 2408 HB2 0.01 0.06 0.08 -0.04 2.71 2.82 3k9bB1 ASP 2408 HB3 0.01 -0.05 0.09 -0.04 2.70 2.71 3k9bB1 ASP 2409 H 0.02 0.03 0.01 -0.55 8.40 7.91 3k9bB1 ASP 2409 HA 0.02 0.09 0.52 -0.75 4.63 4.50 3k9bB1 ASP 2409 HB2 0.02 0.10 0.15 -0.04 2.71 2.94 3k9bB1 ASP 2409 HB3 0.02 0.04 0.21 -0.04 2.70 2.93 3k9bB1 THR 2410 H 0.02 0.28 0.31 -0.55 8.28 8.35 3k9bB1 THR 2410 HA 0.04 0.11 0.31 -0.75 4.39 4.10 3k9bB1 THR 2410 HB 0.02 0.04 0.11 -0.04 4.32 4.45 3k9bB1 THR 2410 HG23 0.02 0.06 0.12 -0.04 1.22 1.37 3k9bB1 VAL 2411 H 0.03 -0.01 -0.42 -0.55 8.24 7.29 3k9bB1 VAL 2411 HA 0.04 0.18 0.56 -0.75 4.13 4.16 3k9bB1 VAL 2411 HB 0.03 -0.10 0.09 -0.04 2.12 2.10 3k9bB1 VAL 2411 HG13 0.04 0.02 -0.07 -0.04 0.97 0.92 3k9bB1 VAL 2411 HG23 0.03 0.01 0.02 -0.04 0.95 0.97 3k9bB1 LYS 2412 H 0.04 0.05 -0.02 -0.55 8.42 7.93 3k9bB1 LYS 2412 HA 0.05 0.06 0.43 -0.75 4.32 4.10 3k9bB1 LYS 2412 HB2 0.03 -0.04 0.14 -0.04 1.87 1.96 3k9bB1 LYS 2412 HB3 0.04 0.12 0.16 -0.04 1.79 2.08 3k9bB1 LYS 2412 HG2 0.05 0.04 -0.19 -0.04 1.46 1.32 3k9bB1 LYS 2412 HG3 0.04 -0.01 0.02 -0.04 1.46 1.47 3k9bB1 LYS 2412 HD2 0.03 -0.04 0.03 -0.04 1.69 1.66 3k9bB1 LYS 2412 HD3 0.03 -0.01 -0.02 -0.04 1.68 1.63 3k9bB1 LYS 2412 HE2 0.03 0.04 -0.06 -0.04 2.99 2.95 3k9bB1 LYS 2412 HE3 0.03 -0.01 -0.02 -0.04 2.99 2.95 3k9bB1 LYS 2413 H 0.05 0.77 -0.01 -0.55 8.42 8.68 3k9bB1 LYS 2413 HA 0.09 0.06 0.30 -0.75 4.32 4.02 3k9bB1 LYS 2413 HB2 0.06 -0.06 -0.01 -0.04 1.87 1.82 3k9bB1 LYS 2413 HB3 0.08 0.01 -0.01 -0.04 1.79 1.83 3k9bB1 LYS 2413 HG2 0.06 0.17 0.01 -0.04 1.46 1.66 3k9bB1 LYS 2413 HG3 0.05 -0.03 -0.35 -0.04 1.46 1.09 3k9bB1 LYS 2413 HD2 0.03 0.01 -0.32 -0.04 1.69 1.37 3k9bB1 LYS 2413 HD3 0.04 -0.16 -0.29 -0.04 1.68 1.22 3k9bB1 LYS 2413 HE2 0.03 -0.09 0.00 -0.04 2.99 2.90 3k9bB1 LYS 2413 HE3 0.05 -0.07 -0.00 -0.04 2.99 2.92 3k9bB1 LYS 2414 H 0.08 0.27 -0.82 -0.55 8.42 7.39 3k9bB1 LYS 2414 HA 0.13 0.03 0.48 -0.75 4.32 4.20 3k9bB1 LYS 2414 HB2 0.07 0.11 0.21 -0.04 1.87 2.22 3k9bB1 LYS 2414 HB3 0.09 0.21 0.19 -0.04 1.79 2.23 3k9bB1 LYS 2414 HG2 0.13 -0.06 -0.14 -0.04 1.46 1.36 3k9bB1 LYS 2414 HG3 0.10 -0.03 0.11 -0.04 1.46 1.61 3k9bB1 LYS 2414 HD2 0.10 0.04 0.04 -0.04 1.69 1.83 3k9bB1 LYS 2414 HD3 0.07 -0.01 0.08 -0.04 1.68 1.78 3k9bB1 LYS 2414 HE2 0.08 -0.02 0.03 -0.04 2.99 3.04 3k9bB1 LYS 2414 HE3 0.08 0.07 0.07 -0.04 2.99 3.16 3k9bB1 ASP 2415 H 0.10 0.43 0.02 -0.55 8.40 8.41 3k9bB1 ASP 2415 HA 0.12 0.03 0.49 -0.75 4.63 4.52 3k9bB1 ASP 2415 HB2 0.08 0.12 0.14 -0.04 2.71 3.02 3k9bB1 ASP 2415 HB3 0.09 -0.06 0.04 -0.04 2.70 2.73 3k9bB1 LEU 2416 H 0.13 0.47 -0.25 -0.55 8.37 8.17 3k9bB1 LEU 2416 HA 0.17 -0.01 0.47 -0.75 4.35 4.22 3k9bB1 LEU 2416 HB2 0.16 0.14 0.11 -0.04 1.64 2.00 3k9bB1 LEU 2416 HB3 0.21 0.25 0.10 -0.04 1.64 2.15 3k9bB1 LEU 2416 HG 0.09 -0.04 -0.07 -0.04 1.64 1.59 3k9bB1 LEU 2416 HD13 0.07 -0.00 -0.09 -0.04 0.93 0.87 3k9bB1 LEU 2416 HD23 0.08 -0.01 0.02 -0.04 0.89 0.94 3k9bB1 PHE 2417 H 0.25 0.40 -0.35 -0.55 8.34 8.10 3k9bB1 PHE 2417 HA 0.01 0.05 0.56 -0.75 4.62 4.48 3k9bB1 PHE 2417 HB2 0.06 0.05 0.10 -0.04 3.15 3.32 3k9bB1 PHE 2417 HB3 0.05 0.19 0.15 -0.04 3.06 3.41 3k9bB1 PHE 2417 HD2 0.04 0.04 -0.12 -0.04 7.28 7.20 3k9bB1 PHE 2417 HE2 0.15 0.01 -0.10 -0.04 7.38 7.40 3k9bB1 PHE 2417 HZ 0.12 0.03 -0.20 -0.04 7.32 7.23 3k9bB1 LEU 2418 H 0.15 0.43 -0.16 -0.55 8.37 8.23 3k9bB1 LEU 2418 HA -0.21 0.04 0.40 -0.75 4.35 3.82 3k9bB1 LEU 2418 HB2 0.11 0.14 0.17 -0.04 1.64 2.02 3k9bB1 LEU 2418 HB3 0.11 -0.14 -0.11 -0.04 1.64 1.47 3k9bB1 LEU 2418 HG 0.14 -0.01 0.01 -0.04 1.64 1.74 3k9bB1 LEU 2418 HD13 0.23 0.01 -0.02 -0.04 0.93 1.12 3k9bB1 LEU 2418 HD23 0.16 -0.01 -0.04 -0.04 0.89 0.96 3k9bB1 ASP 2419 H 0.04 0.35 -0.43 -0.55 8.40 7.81 3k9bB1 ASP 2419 HA 0.05 -0.02 0.55 -0.75 4.63 4.46 3k9bB1 ASP 2419 HB2 0.24 0.18 0.12 -0.04 2.71 3.20 3k9bB1 ASP 2419 HB3 0.25 -0.06 0.04 -0.04 2.70 2.89 3k9bB1 LEU 2420 H -0.27 0.34 -0.37 -0.55 8.37 7.53 3k9bB1 LEU 2420 HA -0.97 0.01 0.40 -0.75 4.35 3.04 3k9bB1 LEU 2420 HB2 -0.87 0.02 0.08 -0.04 1.64 0.84 3k9bB1 LEU 2420 HB3 -0.61 0.23 0.27 -0.04 1.64 1.49 3k9bB1 LEU 2420 HG -0.56 0.00 -0.10 -0.04 1.64 0.95 3k9bB1 LEU 2420 HD13 -0.09 -0.03 -0.25 -0.04 0.93 0.52 3k9bB1 LEU 2420 HD23 -0.04 -0.00 -0.12 -0.04 0.89 0.68 3k9bB1 ILE 2421 H -0.68 0.53 -0.02 -0.55 8.25 7.54 3k9bB1 ILE 2421 HA -0.45 0.04 0.24 -0.75 4.18 3.26 3k9bB1 ILE 2421 HB -0.99 0.04 0.04 -0.04 1.89 0.95 3k9bB1 ILE 2421 HG12 -1.09 0.16 0.06 -0.04 1.49 0.58 3k9bB1 ILE 2421 HG13 -0.66 0.00 -0.05 -0.04 1.21 0.46 3k9bB1 ILE 2421 HG23 -0.60 -0.00 -0.12 -0.04 0.93 0.16 3k9bB1 ILE 2421 HD13 -0.29 -0.00 -0.06 -0.04 0.88 0.48 3k9bB1 ALA 2422 H -0.23 0.37 -0.60 -0.55 8.40 7.39 3k9bB1 ALA 2422 HA 0.19 -0.05 0.41 -0.75 4.34 4.14 3k9bB1 ALA 2422 HB3 0.08 0.02 0.21 -0.04 1.41 1.69 3k9bB1 ASP 2423 H -0.07 0.78 0.09 -0.55 8.40 8.65 3k9bB1 ASP 2423 HA -0.01 -0.19 0.52 -0.75 4.63 4.19 3k9bB1 ASP 2423 HB2 -0.06 0.21 0.22 -0.04 2.71 3.04 3k9bB1 ASP 2423 HB3 -0.03 -0.08 0.01 -0.04 2.70 2.56 3k9bB1 VAL 2424 H -0.48 0.53 -0.18 -0.55 8.24 7.55 3k9bB1 VAL 2424 HA -0.65 0.01 0.42 -0.75 4.13 3.16 3k9bB1 VAL 2424 HB -0.46 0.07 0.04 -0.04 2.12 1.73 3k9bB1 VAL 2424 HG13 -0.27 0.01 -0.07 -0.04 0.97 0.60 3k9bB1 VAL 2424 HG23 -1.40 0.01 -0.06 -0.04 0.95 -0.55 3k9bB1 MET 2425 H -0.27 0.50 -0.09 -0.55 8.47 8.07 3k9bB1 MET 2425 HA -0.40 0.13 0.62 -0.75 4.52 4.12 3k9bB1 MET 2425 HB2 -0.27 0.03 0.15 -0.04 2.15 2.02 3k9bB1 MET 2425 HB3 -1.06 -0.12 0.02 -0.04 2.03 0.83 3k9bB1 MET 2425 HG2 -0.29 0.12 0.06 -0.04 2.63 2.48 3k9bB1 MET 2425 HG3 -0.23 0.09 0.06 -0.04 2.56 2.43 3k9bB1 MET 2425 HE3 -0.24 -0.02 0.02 -0.04 2.10 1.82 3k9bB1 PHE 2426 H 0.00 0.47 0.05 -0.55 8.34 8.31 3k9bB1 PHE 2426 HA -0.06 0.15 0.92 -0.75 4.62 4.88 3k9bB1 PHE 2426 HB2 -0.01 -0.04 0.11 -0.04 3.15 3.18 3k9bB1 PHE 2426 HB3 -0.01 -0.10 -0.00 -0.04 3.06 2.91 3k9bB1 PHE 2426 HD2 0.03 0.04 -0.10 -0.04 7.28 7.20 3k9bB1 PHE 2426 HE2 0.09 0.01 0.01 -0.04 7.38 7.45 3k9bB1 PHE 2426 HZ -0.19 -0.02 0.01 -0.04 7.32 7.08 3k9bB1 GLY 2427 H 0.14 0.24 0.15 -0.55 8.43 8.41 3k9bB1 GLY 2427 HA2 0.02 -0.03 0.31 -0.51 4.01 3.81 3k9bB1 GLY 2427 HA3 0.03 -0.00 0.40 -0.51 4.01 3.93 3k9bB1 VAL 2428 H -0.07 0.67 0.13 -0.55 8.24 8.42 3k9bB1 VAL 2428 HA 0.04 -0.04 0.36 -0.75 4.13 3.74 3k9bB1 VAL 2428 HB -0.11 0.19 0.04 -0.04 2.12 2.20 3k9bB1 VAL 2428 HG13 0.14 -0.02 -0.11 -0.04 0.97 0.94 3k9bB1 VAL 2428 HG23 -0.03 -0.02 -0.11 -0.04 0.95 0.75 3k9bB1 PRO 2429 HA -0.04 0.05 0.29 -0.51 4.44 4.22 3k9bB1 PRO 2429 HB2 -0.09 -0.03 -0.09 -0.04 2.28 2.03 3k9bB1 PRO 2429 HB3 -0.10 -0.07 -0.21 -0.04 2.02 1.60 3k9bB1 PRO 2429 HG2 -0.17 -0.02 -0.55 -0.04 2.03 1.25 3k9bB1 PRO 2429 HG3 -0.16 0.14 -0.09 -0.04 2.03 1.89 3k9bB1 PRO 2429 HD2 -0.13 0.18 -0.00 -0.04 3.68 3.69 3k9bB1 PRO 2429 HD3 -0.06 0.12 -0.21 -0.04 3.65 3.46 3k9bB1 SER 2430 H -0.04 0.74 -0.16 -0.55 8.46 8.46 3k9bB1 SER 2430 HA -0.08 -0.05 0.30 -0.75 4.49 3.90 3k9bB1 SER 2430 HB2 -0.07 0.17 0.04 -0.04 3.95 4.05 3k9bB1 SER 2430 HB3 -0.14 -0.05 -0.14 -0.04 3.93 3.56 3k9bB1 VAL 2431 H -0.06 0.45 -0.17 -0.55 8.24 7.91 3k9bB1 VAL 2431 HA -0.17 0.01 0.43 -0.75 4.13 3.64 3k9bB1 VAL 2431 HB 0.01 0.09 0.07 -0.04 2.12 2.25 3k9bB1 VAL 2431 HG13 0.09 0.00 -0.18 -0.04 0.97 0.84 3k9bB1 VAL 2431 HG23 -0.08 0.03 -0.09 -0.04 0.95 0.77 3k9bB1 ILE 2432 H 0.00 0.57 -0.05 -0.55 8.25 8.22 3k9bB1 ILE 2432 HA 0.05 0.01 0.36 -0.75 4.18 3.84 3k9bB1 ILE 2432 HB 0.00 0.10 0.06 -0.04 1.89 2.02 3k9bB1 ILE 2432 HG12 0.07 -0.05 0.01 -0.04 1.49 1.47 3k9bB1 ILE 2432 HG13 0.05 0.19 0.08 -0.04 1.21 1.48 3k9bB1 ILE 2432 HG23 0.03 -0.01 -0.07 -0.04 0.93 0.84 3k9bB1 ILE 2432 HD13 0.06 -0.02 -0.10 -0.04 0.88 0.78 3k9bB1 VAL 2433 H -0.03 0.36 -0.50 -0.55 8.24 7.51 3k9bB1 VAL 2433 HA -0.01 0.07 0.48 -0.75 4.13 3.91 3k9bB1 VAL 2433 HB -0.07 0.20 0.19 -0.04 2.12 2.39 3k9bB1 VAL 2433 HG13 -0.02 -0.01 -0.18 -0.04 0.97 0.73 3k9bB1 VAL 2433 HG23 -0.05 0.02 -0.04 -0.04 0.95 0.84 3k9bB1 ALA 2434 H -0.11 0.63 0.15 -0.55 8.40 8.51 3k9bB1 ALA 2434 HA -0.05 0.03 0.34 -0.75 4.34 3.91 3k9bB1 ALA 2434 HB3 -0.41 -0.01 0.08 -0.04 1.41 1.03 3k9bB1 ARG 2435 H 0.06 0.55 -0.45 -0.55 8.46 8.07 3k9bB1 ARG 2435 HA 0.29 0.03 0.41 -0.75 4.34 4.32 3k9bB1 ARG 2435 HB2 0.11 0.13 0.09 -0.04 1.90 2.19 3k9bB1 ARG 2435 HB3 0.13 -0.04 -0.05 -0.04 1.80 1.80 3k9bB1 ARG 2435 HG2 0.31 -0.04 -0.02 -0.04 1.67 1.88 3k9bB1 ARG 2435 HG3 0.26 0.09 -0.02 -0.04 1.67 1.96 3k9bB1 ARG 2435 HD2 0.11 -0.01 -0.14 -0.04 3.22 3.14 3k9bB1 ARG 2435 HD3 0.11 -0.01 -0.05 -0.04 3.22 3.23 3k9bB1 ASN 2436 H 0.09 0.40 -0.06 -0.55 8.53 8.42 3k9bB1 ASN 2436 HA 0.13 0.00 0.44 -0.75 4.76 4.58 3k9bB1 ASN 2436 HB2 0.07 0.04 0.23 -0.04 2.88 3.18 3k9bB1 ASN 2436 HB3 0.18 0.08 0.03 -0.04 2.79 3.04 3k9bB1 ASN 2436 HD21 0.04 -0.11 0.02 -0.04 7.03 6.94 3k9bB1 ASN 2436 HD22 0.04 -0.07 0.04 -0.04 7.74 7.70 3k9bB1 HIS 2437 H 0.19 0.58 -0.11 -0.55 8.41 8.53 3k9bB1 HIS 2437 HA 0.34 0.07 0.35 -0.75 4.63 4.64 3k9bB1 HIS 2437 HB2 0.03 -0.06 0.01 -0.04 3.26 3.20 3k9bB1 HIS 2437 HB3 0.11 0.06 0.05 -0.04 3.20 3.37 3k9bB1 HIS 2437 HD2 0.16 0.11 -0.22 -0.04 6.97 6.98 3k9bB1 HIS 2437 HE1 0.14 0.11 0.07 -0.04 7.75 8.03 3k9bB1 ARG 2438 H 0.22 0.48 -0.21 -0.55 8.46 8.39 3k9bB1 ARG 2438 HA 0.12 0.20 0.45 -0.75 4.34 4.35 3k9bB1 ARG 2438 HB2 0.26 0.03 0.20 -0.04 1.90 2.35 3k9bB1 ARG 2438 HB3 0.19 0.09 0.26 -0.04 1.80 2.30 3k9bB1 ARG 2438 HG2 0.06 -0.06 -0.29 -0.04 1.67 1.33 3k9bB1 ARG 2438 HG3 0.07 0.05 0.16 -0.04 1.67 1.90 3k9bB1 ARG 2438 HD2 -0.03 -0.31 -0.35 -0.04 3.22 2.49 3k9bB1 ARG 2438 HD3 0.00 0.06 -0.14 -0.04 3.22 3.11 3k9bB1 ASP 2439 H 0.12 0.61 -0.15 -0.55 8.40 8.43 3k9bB1 ASP 2439 HA 0.04 -0.03 0.53 -0.75 4.63 4.41 3k9bB1 ASP 2439 HB2 0.09 0.11 0.19 -0.04 2.71 3.06 3k9bB1 ASP 2439 HB3 0.04 -0.08 0.07 -0.04 2.70 2.69 3k9bB1 ALA 2440 H 0.08 0.46 -0.22 -0.55 8.40 8.17 3k9bB1 ALA 2440 HA -0.08 0.01 0.61 -0.75 4.34 4.13 3k9bB1 ALA 2440 HB3 -0.16 0.02 0.14 -0.04 1.41 1.38 3k9bB1 GLY 2441 H -0.01 0.27 -0.52 -0.55 8.43 7.62 3k9bB1 GLY 2441 HA2 -0.01 -0.04 0.25 -0.51 4.01 3.69 3k9bB1 GLY 2441 HA3 -0.04 0.09 0.76 -0.51 4.01 4.32 3k9bB1 ALA 2442 H -0.08 0.36 0.05 -0.55 8.40 8.19 3k9bB1 ALA 2442 HA 0.01 0.19 0.98 -0.75 4.34 4.78 3k9bB1 ALA 2442 HB3 -0.11 0.02 -0.16 -0.04 1.41 1.12 3k9bB1 PRO 2443 HA 0.02 -0.06 0.43 -0.51 4.44 4.32 3k9bB1 PRO 2443 HB2 0.22 -0.02 0.12 -0.04 2.28 2.56 3k9bB1 PRO 2443 HB3 0.17 0.00 0.14 -0.04 2.02 2.28 3k9bB1 PRO 2443 HG2 0.10 0.07 0.13 -0.04 2.03 2.29 3k9bB1 PRO 2443 HG3 0.08 0.00 0.11 -0.04 2.03 2.18 3k9bB1 PRO 2443 HD2 0.05 0.18 0.23 -0.04 3.68 4.10 3k9bB1 PRO 2443 HD3 0.05 0.08 -0.04 -0.04 3.65 3.69 3k9bB1 THR 2444 H -0.16 0.12 0.27 -0.55 8.28 7.96 3k9bB1 THR 2444 HA 0.13 0.29 0.99 -0.75 4.39 5.05 3k9bB1 THR 2444 HB 0.15 0.09 0.21 -0.04 4.32 4.72 3k9bB1 THR 2444 HG23 0.02 -0.02 -0.01 -0.04 1.22 1.17 3k9bB1 TYR 2445 H 0.03 0.43 0.40 -0.55 8.29 8.60 3k9bB1 TYR 2445 HA 0.11 0.08 1.05 -0.75 4.56 5.05 3k9bB1 TYR 2445 HB2 -0.47 -0.01 0.18 -0.04 3.06 2.72 3k9bB1 TYR 2445 HB3 -0.64 0.00 0.02 -0.04 2.98 2.32 3k9bB1 TYR 2445 HD2 -0.34 0.11 -0.09 -0.04 7.15 6.79 3k9bB1 TYR 2445 HE2 -0.06 0.17 -0.07 -0.04 6.85 6.84 3k9bB1 MET 2446 H 0.50 0.27 0.27 -0.55 8.47 8.96 3k9bB1 MET 2446 HA 0.04 0.46 1.20 -0.75 4.52 5.47 3k9bB1 MET 2446 HB2 0.15 -0.03 0.03 -0.04 2.15 2.26 3k9bB1 MET 2446 HB3 -0.10 -0.05 0.06 -0.04 2.03 1.90 3k9bB1 MET 2446 HG2 -0.35 0.14 -0.02 -0.04 2.63 2.36 3k9bB1 MET 2446 HG3 -0.94 0.01 -0.14 -0.04 2.56 1.45 3k9bB1 MET 2446 HE3 -0.27 -0.01 -0.12 -0.04 2.10 1.66 3k9bB1 TYR 2447 H -0.13 0.41 0.40 -0.55 8.29 8.42 3k9bB1 TYR 2447 HA 0.09 0.21 0.84 -0.75 4.56 4.94 3k9bB1 TYR 2447 HB2 -0.16 -0.01 -0.00 -0.04 3.06 2.84 3k9bB1 TYR 2447 HB3 0.06 0.09 -0.34 -0.04 2.98 2.76 3k9bB1 TYR 2447 HD2 0.21 0.03 -0.41 -0.04 7.15 6.94 3k9bB1 TYR 2447 HE2 0.11 0.00 -0.20 -0.04 6.85 6.72 3k9bB1 GLU 2448 H 0.27 0.67 0.33 -0.55 8.60 9.33 3k9bB1 GLU 2448 HA 0.11 0.22 0.95 -0.75 4.29 4.81 3k9bB1 GLU 2448 HB2 0.02 -0.02 -0.08 -0.04 2.09 1.97 3k9bB1 GLU 2448 HB3 0.23 0.01 0.17 -0.04 1.99 2.35 3k9bB1 GLU 2448 HG2 0.12 0.02 -0.28 -0.04 2.34 2.16 3k9bB1 GLU 2448 HG3 0.06 -0.01 -0.16 -0.04 2.34 2.19 3k9bB1 PHE 2449 H 0.44 0.54 0.33 -0.55 8.34 9.09 3k9bB1 PHE 2449 HA 0.11 0.18 0.72 -0.75 4.62 4.88 3k9bB1 PHE 2449 HB2 0.28 0.04 0.03 -0.04 3.15 3.46 3k9bB1 PHE 2449 HB3 0.17 -0.11 0.10 -0.04 3.06 3.19 3k9bB1 PHE 2449 HD2 0.02 -0.04 -0.16 -0.04 7.28 7.06 3k9bB1 PHE 2449 HE2 0.01 0.09 -0.19 -0.04 7.38 7.25 3k9bB1 PHE 2449 HZ 0.05 0.04 -0.18 -0.04 7.32 7.19 3k9bB1 GLN 2450 H -0.61 0.70 0.25 -0.55 8.47 8.26 3k9bB1 GLN 2450 HA 0.01 -0.04 0.74 -0.75 4.36 4.31 3k9bB1 GLN 2450 HB2 -0.01 -0.02 0.02 -0.04 2.15 2.10 3k9bB1 GLN 2450 HB3 0.01 0.04 -0.25 -0.04 2.02 1.78 3k9bB1 GLN 2450 HG2 -0.10 0.36 -0.05 -0.04 2.40 2.58 3k9bB1 GLN 2450 HG3 -0.08 -0.19 0.18 -0.04 2.39 2.26 3k9bB1 GLN 2450 HE21 -0.01 0.04 -0.04 -0.04 6.97 6.92 3k9bB1 GLN 2450 HE22 -0.03 -0.08 -0.11 -0.04 7.69 7.42 3k9bB1 TYR 2451 H 0.04 0.13 0.10 -0.55 8.29 8.01 3k9bB1 TYR 2451 HA -0.12 0.09 0.49 -0.75 4.56 4.27 3k9bB1 TYR 2451 HB2 -0.50 0.12 -0.30 -0.04 3.06 2.34 3k9bB1 TYR 2451 HB3 -0.23 -0.02 -0.17 -0.04 2.98 2.52 3k9bB1 TYR 2451 HD2 -0.01 -0.05 -0.12 -0.04 7.15 6.93 3k9bB1 TYR 2451 HE2 -0.02 -0.03 -0.07 -0.04 6.85 6.69 3k9bB1 ARG 2452 H -0.62 0.22 0.10 -0.55 8.46 7.60 3k9bB1 ARG 2452 HA -0.04 0.09 0.92 -0.75 4.34 4.55 3k9bB1 ARG 2452 HB2 -0.15 0.00 0.13 -0.04 1.90 1.84 3k9bB1 ARG 2452 HB3 -0.28 -0.05 0.21 -0.04 1.80 1.63 3k9bB1 ARG 2452 HG2 -0.15 0.08 -0.12 -0.04 1.67 1.45 3k9bB1 ARG 2452 HG3 -0.09 -0.01 0.08 -0.04 1.67 1.61 3k9bB1 ARG 2452 HD2 -0.11 0.13 0.02 -0.04 3.22 3.22 3k9bB1 ARG 2452 HD3 -0.14 -0.11 0.05 -0.04 3.22 2.97 3k9bB1 PRO 2453 HA 0.10 0.01 0.46 -0.51 4.44 4.50 3k9bB1 PRO 2453 HB2 -0.27 -0.03 -0.03 -0.04 2.28 1.91 3k9bB1 PRO 2453 HB3 0.12 0.05 0.05 -0.04 2.02 2.20 3k9bB1 PRO 2453 HG2 -0.12 0.04 0.02 -0.04 2.03 1.93 3k9bB1 PRO 2453 HG3 0.04 0.09 0.08 -0.04 2.03 2.20 3k9bB1 PRO 2453 HD2 0.08 0.03 0.31 -0.04 3.68 4.05 3k9bB1 PRO 2453 HD3 0.28 0.18 0.08 -0.04 3.65 4.15 3k9bB1 SER 2454 H -0.07 0.09 0.19 -0.55 8.46 8.12 3k9bB1 SER 2454 HA -0.20 0.16 0.55 -0.75 4.49 4.25 3k9bB1 SER 2454 HB2 -0.31 0.07 0.16 -0.04 3.95 3.84 3k9bB1 SER 2454 HB3 -0.20 -0.11 0.19 -0.04 3.93 3.77 3k9bB1 PHE 2455 H -0.11 -0.07 -0.20 -0.55 8.34 7.41 3k9bB1 PHE 2455 HA -0.11 0.20 0.52 -0.75 4.62 4.47 3k9bB1 PHE 2455 HB2 -0.63 -0.10 -0.02 -0.04 3.15 2.37 3k9bB1 PHE 2455 HB3 -0.14 0.14 0.11 -0.04 3.06 3.13 3k9bB1 PHE 2455 HD2 -0.06 -0.04 -0.04 -0.04 7.28 7.10 3k9bB1 PHE 2455 HE2 0.00 -0.10 -0.16 -0.04 7.38 7.07 3k9bB1 PHE 2455 HZ -0.01 0.03 -0.47 -0.04 7.32 6.83 3k9bB1 SER 2456 H -0.15 0.14 -0.90 -0.55 8.46 7.01 3k9bB1 SER 2456 HA -0.02 0.03 0.37 -0.75 4.49 4.11 3k9bB1 SER 2456 HB2 -0.12 0.11 -0.05 -0.04 3.95 3.84 3k9bB1 SER 2456 HB3 -0.08 -0.11 0.07 -0.04 3.93 3.77 3k9bB1 SER 2457 H 0.06 0.01 0.11 -0.55 8.46 8.09 3k9bB1 SER 2457 HA 0.06 0.19 0.50 -0.75 4.49 4.48 3k9bB1 SER 2457 HB2 0.31 0.12 0.09 -0.04 3.95 4.43 3k9bB1 SER 2457 HB3 0.15 -0.05 0.08 -0.04 3.93 4.06 3k9bB1 ASP 2458 H 0.01 0.16 0.16 -0.55 8.40 8.18 3k9bB1 ASP 2458 HA -0.09 0.16 0.40 -0.75 4.63 4.34 3k9bB1 ASP 2458 HB2 0.00 -0.06 0.10 -0.04 2.71 2.71 3k9bB1 ASP 2458 HB3 -0.03 0.01 0.02 -0.04 2.70 2.66 3k9bB1 MET 2459 H 0.01 0.02 -0.16 -0.55 8.47 7.79 3k9bB1 MET 2459 HA -0.05 0.11 0.37 -0.75 4.52 4.20 3k9bB1 MET 2459 HB2 0.48 -0.02 -0.04 -0.04 2.15 2.53 3k9bB1 MET 2459 HB3 0.32 0.03 0.05 -0.04 2.03 2.39 3k9bB1 MET 2459 HG2 0.10 0.03 -0.02 -0.04 2.63 2.70 3k9bB1 MET 2459 HG3 0.11 -0.09 0.01 -0.04 2.56 2.55 3k9bB1 MET 2459 HE3 0.18 -0.00 -0.01 -0.04 2.10 2.23 3k9bB1 LYS 2460 H -0.65 0.21 -0.69 -0.55 8.42 6.74 3k9bB1 LYS 2460 HA -2.58 0.06 0.45 -0.75 4.32 1.50 3k9bB1 LYS 2460 HB2 -1.52 -0.16 0.03 -0.04 1.87 0.18 3k9bB1 LYS 2460 HB3 -0.57 0.28 0.06 -0.04 1.79 1.52 3k9bB1 LYS 2460 HG2 -0.40 0.22 -0.28 -0.04 1.46 0.97 3k9bB1 LYS 2460 HG3 -0.46 -0.12 -0.05 -0.04 1.46 0.79 3k9bB1 LYS 2460 HD2 0.04 -0.10 0.00 -0.04 1.69 1.60 3k9bB1 LYS 2460 HD3 -0.15 0.07 -0.02 -0.04 1.68 1.53 3k9bB1 LYS 2460 HE2 -0.05 0.21 -0.08 -0.04 2.99 3.02 3k9bB1 LYS 2460 HE3 0.11 -0.17 -0.08 -0.04 2.99 2.80 3k9bB1 PRO 2461 HA -0.19 0.04 0.45 -0.51 4.44 4.22 3k9bB1 PRO 2461 HB2 -0.08 -0.14 0.03 -0.04 2.28 2.05 3k9bB1 PRO 2461 HB3 -0.09 0.08 0.14 -0.04 2.02 2.10 3k9bB1 PRO 2461 HG2 -0.15 -0.06 0.10 -0.04 2.03 1.88 3k9bB1 PRO 2461 HG3 -0.02 0.10 0.11 -0.04 2.03 2.18 3k9bB1 PRO 2461 HD2 -1.45 -0.02 0.25 -0.04 3.68 2.42 3k9bB1 PRO 2461 HD3 -0.43 0.28 0.26 -0.04 3.65 3.71 3k9bB1 LYS 2462 H -0.12 0.14 0.19 -0.55 8.42 8.07 3k9bB1 LYS 2462 HA -0.14 0.19 0.40 -0.75 4.32 4.03 3k9bB1 LYS 2462 HB2 -0.10 0.07 0.15 -0.04 1.87 1.94 3k9bB1 LYS 2462 HB3 -0.08 -0.05 0.07 -0.04 1.79 1.69 3k9bB1 LYS 2462 HG2 -0.08 -0.04 -0.02 -0.04 1.46 1.28 3k9bB1 LYS 2462 HG3 -0.10 0.02 0.15 -0.04 1.46 1.49 3k9bB1 LYS 2462 HD2 -0.08 -0.02 0.03 -0.04 1.69 1.58 3k9bB1 LYS 2462 HD3 -0.09 -0.04 0.03 -0.04 1.68 1.53 3k9bB1 LYS 2462 HE2 -0.13 0.01 0.03 -0.04 2.99 2.86 3k9bB1 LYS 2462 HE3 -0.12 0.07 0.03 -0.04 2.99 2.93 3k9bB1 THR 2463 H -0.07 0.03 -0.39 -0.55 8.28 7.30 3k9bB1 THR 2463 HA -0.04 0.13 0.47 -0.75 4.39 4.20 3k9bB1 THR 2463 HB -0.01 -0.00 0.07 -0.04 4.32 4.34 3k9bB1 THR 2463 HG23 -0.03 -0.01 -0.02 -0.04 1.22 1.12 3k9bB1 VAL 2464 H -0.07 0.42 -0.41 -0.55 8.24 7.63 3k9bB1 VAL 2464 HA 0.03 0.03 0.51 -0.75 4.13 3.94 3k9bB1 VAL 2464 HB -0.06 0.23 0.04 -0.04 2.12 2.29 3k9bB1 VAL 2464 HG13 0.11 -0.07 -0.25 -0.04 0.97 0.73 3k9bB1 VAL 2464 HG23 0.04 -0.02 -0.06 -0.04 0.95 0.87 3k9bB1 ILE 2465 H 0.04 0.24 0.11 -0.55 8.25 8.09 3k9bB1 ILE 2465 HA 0.01 0.18 0.74 -0.75 4.18 4.34 3k9bB1 ILE 2465 HB 0.01 0.02 -0.03 -0.04 1.89 1.84 3k9bB1 ILE 2465 HG12 -0.08 0.10 -0.26 -0.04 1.49 1.21 3k9bB1 ILE 2465 HG13 -0.03 0.12 -0.67 -0.04 1.21 0.59 3k9bB1 ILE 2465 HG23 -0.04 -0.05 -0.28 -0.04 0.93 0.52 3k9bB1 ILE 2465 HD13 -0.05 -0.01 -0.10 -0.04 0.88 0.69 3k9bB1 GLY 2466 H 0.13 0.44 0.01 -0.55 8.43 8.45 3k9bB1 GLY 2466 HA2 0.34 0.06 0.34 -0.51 4.01 4.24 3k9bB1 GLY 2466 HA3 0.17 0.07 0.62 -0.51 4.01 4.35 3k9bB1 ASP 2467 H 0.18 0.09 -0.07 -0.55 8.40 8.04 3k9bB1 ASP 2467 HA 0.15 0.57 0.52 -0.75 4.63 5.11 3k9bB1 ASP 2467 HB2 0.17 0.03 -0.08 -0.04 2.71 2.80 3k9bB1 ASP 2467 HB3 0.22 0.06 -0.02 -0.04 2.70 2.91 3k9bB1 HIS 2468 H 0.21 0.11 0.21 -0.55 8.41 8.39 3k9bB1 HIS 2468 HA -0.03 -0.02 0.47 -0.75 4.63 4.30 3k9bB1 HIS 2468 HB2 -0.05 0.31 0.34 -0.04 3.26 3.82 3k9bB1 HIS 2468 HB3 0.09 -0.07 0.19 -0.04 3.20 3.37 3k9bB1 HIS 2468 HD2 0.25 0.02 -0.08 -0.04 6.97 7.12 3k9bB1 HIS 2468 HE1 -0.02 0.15 0.17 -0.04 7.75 8.00 3k9bB1 GLY 2469 H -0.31 0.11 0.19 -0.55 8.43 7.88 3k9bB1 GLY 2469 HA2 -0.32 -0.01 0.33 -0.51 4.01 3.50 3k9bB1 GLY 2469 HA3 -0.28 0.20 0.40 -0.51 4.01 3.83 3k9bB1 ASP 2470 H 0.10 0.51 -0.40 -0.55 8.40 8.06 3k9bB1 ASP 2470 HA 0.40 0.18 0.34 -0.75 4.63 4.79 3k9bB1 ASP 2470 HB2 0.27 0.03 0.06 -0.04 2.71 3.03 3k9bB1 ASP 2470 HB3 0.41 0.06 0.05 -0.04 2.70 3.18 3k9bB1 GLU 2471 H -0.29 0.06 -0.35 -0.55 8.60 7.47 3k9bB1 GLU 2471 HA -1.51 0.10 0.35 -0.75 4.29 2.47 3k9bB1 GLU 2471 HB2 -0.82 0.06 -0.02 -0.04 2.09 1.26 3k9bB1 GLU 2471 HB3 -0.96 -0.03 -0.03 -0.04 1.99 0.92 3k9bB1 GLU 2471 HG2 -0.16 0.09 -0.38 -0.04 2.34 1.85 3k9bB1 GLU 2471 HG3 0.05 0.06 -0.17 -0.04 2.34 2.24 3k9bB1 LEU 2472 H -0.23 0.35 -0.47 -0.55 8.37 7.47 3k9bB1 LEU 2472 HA -0.17 0.01 0.26 -0.75 4.35 3.70 3k9bB1 LEU 2472 HB2 -0.59 0.30 0.12 -0.04 1.64 1.43 3k9bB1 LEU 2472 HB3 -0.46 0.09 -0.06 -0.04 1.64 1.17 3k9bB1 LEU 2472 HG -0.28 -0.18 0.04 -0.04 1.64 1.18 3k9bB1 LEU 2472 HD13 -0.96 0.02 0.02 -0.04 0.93 -0.03 3k9bB1 LEU 2472 HD23 0.19 -0.01 -0.05 -0.04 0.89 0.97 3k9bB1 PHE 2473 H 0.07 0.28 -0.32 -0.55 8.34 7.82 3k9bB1 PHE 2473 HA -0.07 0.14 0.36 -0.75 4.62 4.30 3k9bB1 PHE 2473 HB2 0.07 0.00 -0.02 -0.04 3.15 3.16 3k9bB1 PHE 2473 HB3 -0.01 -0.05 0.02 -0.04 3.06 2.98 3k9bB1 PHE 2473 HD2 -0.07 0.07 0.01 -0.04 7.28 7.24 3k9bB1 PHE 2473 HE2 0.07 0.08 -0.11 -0.04 7.38 7.38 3k9bB1 PHE 2473 HZ 0.19 0.33 0.02 -0.04 7.32 7.82 3k9bB1 SER 2474 H -0.07 0.29 -0.38 -0.55 8.46 7.75 3k9bB1 SER 2474 HA -0.02 0.06 0.55 -0.75 4.49 4.32 3k9bB1 SER 2474 HB2 -0.28 0.10 0.07 -0.04 3.95 3.80 3k9bB1 SER 2474 HB3 -0.14 0.04 -0.09 -0.04 3.93 3.70 3k9bB1 VAL 2475 H -0.40 0.41 -0.04 -0.55 8.24 7.66 3k9bB1 VAL 2475 HA -0.72 0.06 0.23 -0.75 4.13 2.94 3k9bB1 VAL 2475 HB -0.51 0.03 0.01 -0.04 2.12 1.61 3k9bB1 VAL 2475 HG13 -0.85 0.01 -0.21 -0.04 0.97 -0.12 3k9bB1 VAL 2475 HG23 -0.85 0.03 -0.11 -0.04 0.95 -0.02 3k9bB1 PHE 2476 H -0.17 0.48 -0.26 -0.55 8.34 7.83 3k9bB1 PHE 2476 HA -0.26 0.18 0.70 -0.75 4.62 4.49 3k9bB1 PHE 2476 HB2 -0.31 0.11 0.04 -0.04 3.15 2.96 3k9bB1 PHE 2476 HB3 -0.25 0.03 0.14 -0.04 3.06 2.94 3k9bB1 PHE 2476 HD2 -0.38 0.09 -0.10 -0.04 7.28 6.85 3k9bB1 PHE 2476 HE2 -1.20 -0.03 -0.17 -0.04 7.38 5.94 3k9bB1 PHE 2476 HZ -1.90 0.01 -0.14 -0.04 7.32 5.24 3k9bB1 GLY 2477 H -0.17 0.44 -0.70 -0.55 8.43 7.45 3k9bB1 GLY 2477 HA2 0.01 0.05 0.25 -0.51 4.01 3.80 3k9bB1 GLY 2477 HA3 -0.15 -0.02 0.25 -0.51 4.01 3.58 3k9bB1 ALA 2478 H 0.03 0.61 -0.03 -0.55 8.40 8.46 3k9bB1 ALA 2478 HA -0.09 0.17 0.44 -0.75 4.34 4.11 3k9bB1 ALA 2478 HB3 -0.11 -0.01 0.09 -0.04 1.41 1.34 3k9bB1 PRO 2479 HA 0.19 0.07 0.29 -0.51 4.44 4.48 3k9bB1 PRO 2479 HB2 -0.25 0.09 -0.11 -0.04 2.28 1.97 3k9bB1 PRO 2479 HB3 -0.05 -0.09 -0.06 -0.04 2.02 1.79 3k9bB1 PRO 2479 HG2 0.13 0.07 -0.07 -0.04 2.03 2.12 3k9bB1 PRO 2479 HG3 0.16 -0.09 -0.19 -0.04 2.03 1.87 3k9bB1 PRO 2479 HD2 0.12 0.22 0.04 -0.04 3.68 4.01 3k9bB1 PRO 2479 HD3 0.29 0.12 -0.39 -0.04 3.65 3.64 3k9bB1 PHE 2480 H 0.27 0.50 -0.63 -0.55 8.34 7.93 3k9bB1 PHE 2480 HA 0.07 0.16 0.90 -0.75 4.62 5.01 3k9bB1 PHE 2480 HB2 0.03 0.11 0.03 -0.04 3.15 3.28 3k9bB1 PHE 2480 HB3 0.16 -0.03 0.11 -0.04 3.06 3.26 3k9bB1 PHE 2480 HD2 0.09 0.03 -0.10 -0.04 7.28 7.25 3k9bB1 PHE 2480 HE2 0.04 -0.03 -0.06 -0.04 7.38 7.29 3k9bB1 PHE 2480 HZ -0.03 0.03 -0.04 -0.04 7.32 7.23 3k9bB1 LEU 2481 H 0.06 0.29 0.08 -0.55 8.37 8.25 3k9bB1 LEU 2481 HA 0.08 0.12 0.98 -0.75 4.35 4.77 3k9bB1 LEU 2481 HB2 -0.04 0.29 0.25 -0.04 1.64 2.11 3k9bB1 LEU 2481 HB3 0.00 -0.19 0.15 -0.04 1.64 1.56 3k9bB1 LEU 2481 HG 0.06 0.08 -0.08 -0.04 1.64 1.66 3k9bB1 LEU 2481 HD13 -0.03 -0.01 -0.01 -0.04 0.93 0.83 3k9bB1 LEU 2481 HD23 0.06 -0.01 -0.07 -0.04 0.89 0.83 3k9bB1 LYS 2482 H -0.06 0.42 0.20 -0.55 8.42 8.42 3k9bB1 LYS 2482 HA 0.07 0.05 0.61 -0.75 4.32 4.30 3k9bB1 LYS 2482 HB2 -0.50 -0.01 -0.07 -0.04 1.87 1.26 3k9bB1 LYS 2482 HB3 0.49 -0.04 0.06 -0.04 1.79 2.25 3k9bB1 LYS 2482 HG2 -0.09 0.08 -0.50 -0.04 1.46 0.91 3k9bB1 LYS 2482 HG3 -0.28 0.06 -0.24 -0.04 1.46 0.97 3k9bB1 LYS 2482 HD2 -0.48 -0.03 -0.10 -0.04 1.69 1.04 3k9bB1 LYS 2482 HD3 -2.49 -0.13 -0.09 -0.04 1.68 -1.07 3k9bB1 LYS 2482 HE2 0.12 -0.03 -0.02 -0.04 2.99 3.02 3k9bB1 LYS 2482 HE3 0.18 -0.06 -0.04 -0.04 2.99 3.03 3k9bB1 GLU 2483 H 0.23 0.13 0.10 -0.55 8.60 8.52 3k9bB1 GLU 2483 HA 0.09 0.23 0.86 -0.75 4.29 4.72 3k9bB1 GLU 2483 HB2 0.06 0.01 0.04 -0.04 2.09 2.16 3k9bB1 GLU 2483 HB3 0.03 -0.07 0.05 -0.04 1.99 1.96 3k9bB1 GLU 2483 HG2 0.07 0.01 -0.13 -0.04 2.34 2.25 3k9bB1 GLU 2483 HG3 0.04 -0.02 -0.03 -0.04 2.34 2.29 3k9bB1 GLY 2484 H 0.01 0.11 0.09 -0.55 8.43 8.09 3k9bB1 GLY 2484 HA2 -0.05 -0.02 0.32 -0.51 4.01 3.75 3k9bB1 GLY 2484 HA3 -0.09 0.07 0.35 -0.51 4.01 3.83 3k9bB1 ALA 2485 H -0.05 0.20 0.02 -0.55 8.40 8.03 3k9bB1 ALA 2485 HA -0.15 0.15 0.95 -0.75 4.34 4.54 3k9bB1 ALA 2485 HB3 0.04 0.03 -0.06 -0.04 1.41 1.37 3k9bB1 SER 2486 H -0.06 0.16 0.12 -0.55 8.46 8.14 3k9bB1 SER 2486 HA -0.04 0.11 0.44 -0.75 4.49 4.25 3k9bB1 SER 2486 HB2 -0.01 0.02 0.14 -0.04 3.95 4.06 3k9bB1 SER 2486 HB3 -0.03 0.14 0.17 -0.04 3.93 4.16 3k9bB1 GLU 2487 H -0.02 0.19 0.22 -0.55 8.60 8.44 3k9bB1 GLU 2487 HA -0.04 0.15 0.39 -0.75 4.29 4.04 3k9bB1 GLU 2487 HB2 -0.02 0.05 0.18 -0.04 2.09 2.26 3k9bB1 GLU 2487 HB3 -0.02 -0.02 0.09 -0.04 1.99 2.00 3k9bB1 GLU 2487 HG2 -0.01 0.03 0.02 -0.04 2.34 2.34 3k9bB1 GLU 2487 HG3 -0.01 -0.01 -0.02 -0.04 2.34 2.26 3k9bB1 GLU 2488 H -0.00 -0.02 -0.52 -0.55 8.60 7.52 3k9bB1 GLU 2488 HA -0.02 0.15 0.42 -0.75 4.29 4.09 3k9bB1 GLU 2488 HB2 0.02 0.02 0.07 -0.04 2.09 2.15 3k9bB1 GLU 2488 HB3 0.06 -0.06 0.03 -0.04 1.99 1.98 3k9bB1 GLU 2488 HG2 0.02 -0.01 -0.19 -0.04 2.34 2.11 3k9bB1 GLU 2488 HG3 0.00 0.08 0.06 -0.04 2.34 2.44 3k9bB1 GLU 2489 H 0.02 0.24 -0.15 -0.55 8.60 8.17 3k9bB1 GLU 2489 HA -0.09 0.05 0.44 -0.75 4.29 3.93 3k9bB1 GLU 2489 HB2 0.15 -0.06 0.10 -0.04 2.09 2.24 3k9bB1 GLU 2489 HB3 0.04 0.13 0.06 -0.04 1.99 2.18 3k9bB1 GLU 2489 HG2 0.12 0.07 -0.23 -0.04 2.34 2.26 3k9bB1 GLU 2489 HG3 0.19 -0.03 -0.02 -0.04 2.34 2.43 3k9bB1 ILE 2490 H -0.04 0.43 -0.18 -0.55 8.25 7.92 3k9bB1 ILE 2490 HA -0.13 0.04 0.29 -0.75 4.18 3.63 3k9bB1 ILE 2490 HB -0.07 0.08 0.07 -0.04 1.89 1.93 3k9bB1 ILE 2490 HG12 -0.31 0.12 -0.01 -0.04 1.49 1.26 3k9bB1 ILE 2490 HG13 -0.10 -0.07 -0.09 -0.04 1.21 0.91 3k9bB1 ILE 2490 HG23 -0.25 0.01 -0.13 -0.04 0.93 0.52 3k9bB1 ILE 2490 HD13 -0.09 -0.03 -0.05 -0.04 0.88 0.67 3k9bB1 ARG 2491 H -0.02 0.32 -0.43 -0.55 8.46 7.78 3k9bB1 ARG 2491 HA 0.02 0.07 0.42 -0.75 4.34 4.10 3k9bB1 ARG 2491 HB2 -0.01 0.08 0.13 -0.04 1.90 2.06 3k9bB1 ARG 2491 HB3 -0.04 0.11 0.11 -0.04 1.80 1.93 3k9bB1 ARG 2491 HG2 -0.03 -0.00 -0.07 -0.04 1.67 1.53 3k9bB1 ARG 2491 HG3 -0.01 0.00 0.05 -0.04 1.67 1.68 3k9bB1 ARG 2491 HD2 -0.02 -0.01 0.02 -0.04 3.22 3.17 3k9bB1 ARG 2491 HD3 -0.01 0.01 0.01 -0.04 3.22 3.19 3k9bB1 LEU 2492 H -0.09 0.34 -0.16 -0.55 8.37 7.91 3k9bB1 LEU 2492 HA -0.12 0.04 0.39 -0.75 4.35 3.91 3k9bB1 LEU 2492 HB2 -0.33 0.06 0.10 -0.04 1.64 1.43 3k9bB1 LEU 2492 HB3 -0.21 0.06 0.15 -0.04 1.64 1.60 3k9bB1 LEU 2492 HG -0.12 -0.03 -0.25 -0.04 1.64 1.20 3k9bB1 LEU 2492 HD13 -0.18 0.02 0.00 -0.04 0.93 0.73 3k9bB1 LEU 2492 HD23 -0.82 -0.03 -0.18 -0.04 0.89 -0.18 3k9bB1 SER 2493 H -0.01 0.57 -0.18 -0.55 8.46 8.30 3k9bB1 SER 2493 HA -0.09 -0.09 0.39 -0.75 4.49 3.95 3k9bB1 SER 2493 HB2 0.08 -0.07 0.10 -0.04 3.95 4.02 3k9bB1 SER 2493 HB3 0.22 0.18 0.12 -0.04 3.93 4.41 3k9bB1 LYS 2494 H 0.05 0.41 -0.18 -0.55 8.42 8.14 3k9bB1 LYS 2494 HA -0.12 0.02 0.32 -0.75 4.32 3.79 3k9bB1 LYS 2494 HB2 0.01 0.13 0.18 -0.04 1.87 2.15 3k9bB1 LYS 2494 HB3 -0.00 -0.01 -0.01 -0.04 1.79 1.73 3k9bB1 LYS 2494 HG2 0.11 -0.01 0.01 -0.04 1.46 1.53 3k9bB1 LYS 2494 HG3 0.30 0.21 0.09 -0.04 1.46 2.03 3k9bB1 LYS 2494 HD2 0.25 -0.04 -0.08 -0.04 1.69 1.77 3k9bB1 LYS 2494 HD3 0.09 -0.07 -0.05 -0.04 1.68 1.61 3k9bB1 LYS 2494 HE2 0.04 0.03 -0.02 -0.04 2.99 3.00 3k9bB1 LYS 2494 HE3 0.11 0.03 -0.02 -0.04 2.99 3.07 3k9bB1 MET 2495 H -0.08 0.53 -0.20 -0.55 8.47 8.18 3k9bB1 MET 2495 HA -0.22 0.07 0.39 -0.75 4.52 4.00 3k9bB1 MET 2495 HB2 -0.09 0.03 0.13 -0.04 2.15 2.18 3k9bB1 MET 2495 HB3 -0.08 0.09 0.20 -0.04 2.03 2.20 3k9bB1 MET 2495 HG2 -0.04 -0.05 -0.21 -0.04 2.63 2.28 3k9bB1 MET 2495 HG3 -0.27 0.04 0.04 -0.04 2.56 2.33 3k9bB1 MET 2495 HE3 -0.04 0.01 0.06 -0.04 2.10 2.09 3k9bB1 VAL 2496 H -0.12 0.56 -0.05 -0.55 8.24 8.08 3k9bB1 VAL 2496 HA 0.05 -0.03 0.35 -0.75 4.13 3.75 3k9bB1 VAL 2496 HB -0.34 0.16 -0.03 -0.04 2.12 1.87 3k9bB1 VAL 2496 HG13 -1.27 -0.03 -0.24 -0.04 0.97 -0.61 3k9bB1 VAL 2496 HG23 -0.14 0.03 -0.04 -0.04 0.95 0.76 3k9bB1 MET 2497 H -0.22 0.76 -0.09 -0.55 8.47 8.37 3k9bB1 MET 2497 HA -0.23 -0.02 0.38 -0.75 4.52 3.89 3k9bB1 MET 2497 HB2 -0.19 0.11 0.05 -0.04 2.15 2.08 3k9bB1 MET 2497 HB3 -0.17 -0.03 -0.03 -0.04 2.03 1.75 3k9bB1 MET 2497 HG2 -0.34 0.11 0.10 -0.04 2.63 2.45 3k9bB1 MET 2497 HG3 -0.27 0.20 0.02 -0.04 2.56 2.47 3k9bB1 MET 2497 HE3 -0.77 -0.02 -0.18 -0.04 2.10 1.10 3k9bB1 LYS 2498 H -0.10 0.47 -0.35 -0.55 8.42 7.89 3k9bB1 LYS 2498 HA -0.00 0.05 0.41 -0.75 4.32 4.02 3k9bB1 LYS 2498 HB2 -0.23 0.14 0.11 -0.04 1.87 1.85 3k9bB1 LYS 2498 HB3 -0.09 -0.04 -0.01 -0.04 1.79 1.60 3k9bB1 LYS 2498 HG2 -0.04 -0.05 -0.02 -0.04 1.46 1.31 3k9bB1 LYS 2498 HG3 -0.09 0.45 0.12 -0.04 1.46 1.89 3k9bB1 LYS 2498 HD2 -0.05 -0.09 -0.08 -0.04 1.69 1.42 3k9bB1 LYS 2498 HD3 -0.13 -0.02 -0.09 -0.04 1.68 1.39 3k9bB1 LYS 2498 HE2 -0.05 -0.00 -0.05 -0.04 2.99 2.85 3k9bB1 LYS 2498 HE3 -0.06 0.01 -0.05 -0.04 2.99 2.84 3k9bB1 PHE 2499 H 0.13 0.36 -0.21 -0.55 8.34 8.08 3k9bB1 PHE 2499 HA 0.18 0.25 0.51 -0.75 4.62 4.81 3k9bB1 PHE 2499 HB2 0.41 0.07 0.21 -0.04 3.15 3.80 3k9bB1 PHE 2499 HB3 0.70 -0.10 -0.07 -0.04 3.06 3.55 3k9bB1 PHE 2499 HD2 0.19 0.11 -0.10 -0.04 7.28 7.44 3k9bB1 PHE 2499 HE2 0.12 -0.06 -0.17 -0.04 7.38 7.23 3k9bB1 PHE 2499 HZ 0.13 0.13 -0.17 -0.04 7.32 7.36 3k9bB1 TRP 2500 H 0.74 0.67 0.03 -0.55 7.97 8.86 3k9bB1 TRP 2500 HA -0.06 -0.05 0.26 -0.75 4.62 4.02 3k9bB1 TRP 2500 HB2 -0.15 0.13 0.08 -0.04 3.23 3.25 3k9bB1 TRP 2500 HB3 -0.27 0.02 -0.14 -0.04 3.23 2.80 3k9bB1 TRP 2500 HD1 -0.58 0.04 -0.15 -0.04 7.22 6.50 3k9bB1 TRP 2500 HE1 -0.11 -0.08 -0.16 -0.04 10.20 9.81 3k9bB1 TRP 2500 HE3 0.15 -0.01 -0.04 -0.04 7.59 7.64 3k9bB1 TRP 2500 HZ2 -0.27 -0.10 -0.17 -0.04 7.44 6.86 3k9bB1 TRP 2500 HZ3 0.09 -0.00 -0.12 -0.04 7.13 7.06 3k9bB1 TRP 2500 HH2 -1.20 -0.09 -0.16 -0.04 7.19 5.70 3k9bB1 ALA 2501 H 0.18 0.57 -0.40 -0.55 8.40 8.20 3k9bB1 ALA 2501 HA 0.09 -0.00 0.34 -0.75 4.34 4.02 3k9bB1 ALA 2501 HB3 0.05 0.02 0.04 -0.04 1.41 1.48 3k9bB1 ASN 2502 H 0.14 0.63 -0.12 -0.55 8.53 8.63 3k9bB1 ASN 2502 HA 0.06 -0.01 0.40 -0.75 4.76 4.46 3k9bB1 ASN 2502 HB2 0.17 0.05 0.26 -0.04 2.88 3.32 3k9bB1 ASN 2502 HB3 0.08 0.07 -0.02 -0.04 2.79 2.88 3k9bB1 ASN 2502 HD21 0.03 -0.22 -0.16 -0.04 7.03 6.64 3k9bB1 ASN 2502 HD22 0.18 0.44 -0.07 -0.04 7.74 8.25 3k9bB1 PHE 2503 H 0.18 0.60 -0.23 -0.55 8.34 8.33 3k9bB1 PHE 2503 HA -0.15 -0.25 0.16 -0.75 4.62 3.63 3k9bB1 PHE 2503 HB2 -0.32 -0.02 -0.12 -0.04 3.15 2.65 3k9bB1 PHE 2503 HB3 -0.19 0.21 -0.05 -0.04 3.06 2.99 3k9bB1 PHE 2503 HD2 -0.35 0.00 -0.36 -0.04 7.28 6.53 3k9bB1 PHE 2503 HE2 -0.04 0.03 -0.24 -0.04 7.38 7.09 3k9bB1 PHE 2503 HZ 0.02 0.04 -0.59 -0.04 7.32 6.75 3k9bB1 ALA 2504 H 0.14 0.41 -0.42 -0.55 8.40 7.98 3k9bB1 ALA 2504 HA 0.06 -0.05 0.21 -0.75 4.34 3.81 3k9bB1 ALA 2504 HB3 0.10 0.06 -0.01 -0.04 1.41 1.52 3k9bB1 ARG 2505 H -0.01 0.32 -0.63 -0.55 8.46 7.59 3k9bB1 ARG 2505 HA -0.01 0.21 1.09 -0.75 4.34 4.87 3k9bB1 ARG 2505 HB2 0.00 -0.09 0.06 -0.04 1.90 1.83 3k9bB1 ARG 2505 HB3 0.02 -0.01 0.02 -0.04 1.80 1.79 3k9bB1 ARG 2505 HG2 0.03 0.20 0.21 -0.04 1.67 2.06 3k9bB1 ARG 2505 HG3 0.01 -0.06 0.06 -0.04 1.67 1.63 3k9bB1 ARG 2505 HD2 0.03 -0.10 0.00 -0.04 3.22 3.11 3k9bB1 ARG 2505 HD3 0.04 0.03 -0.02 -0.04 3.22 3.23 3k9bB1 ASN 2506 H -0.08 0.47 0.25 -0.55 8.53 8.61 3k9bB1 ASN 2506 HA -0.06 0.23 1.07 -0.75 4.76 5.25 3k9bB1 ASN 2506 HB2 -0.05 0.05 0.09 -0.04 2.88 2.93 3k9bB1 ASN 2506 HB3 -0.03 -0.08 0.08 -0.04 2.79 2.72 3k9bB1 ASN 2506 HD21 0.02 -0.08 0.02 -0.04 7.03 6.94 3k9bB1 ASN 2506 HD22 0.01 0.16 0.04 -0.04 7.74 7.91 3k9bB1 GLY 2507 H -0.35 0.38 0.22 -0.55 8.43 8.14 3k9bB1 GLY 2507 HA2 -1.07 0.05 0.31 -0.51 4.01 2.79 3k9bB1 GLY 2507 HA3 -0.28 0.15 0.71 -0.51 4.01 4.08 3k9bB1 ASN 2508 H -0.18 0.15 -0.10 -0.55 8.53 7.85 3k9bB1 ASN 2508 HA -0.31 0.13 0.62 -0.75 4.76 4.45 3k9bB1 ASN 2508 HB2 0.01 0.12 -0.29 -0.04 2.88 2.68 3k9bB1 ASN 2508 HB3 -0.02 0.02 -0.04 -0.04 2.79 2.71 3k9bB1 ASN 2508 HD21 0.15 -0.07 -0.02 -0.04 7.03 7.04 3k9bB1 ASN 2508 HD22 0.11 0.06 -0.04 -0.04 7.74 7.82 3k9bB1 PRO 2509 HA 0.04 0.13 0.46 -0.51 4.44 4.57 3k9bB1 PRO 2509 HB2 -0.24 -0.01 -0.06 -0.04 2.28 1.93 3k9bB1 PRO 2509 HB3 -0.80 0.00 -0.02 -0.04 2.02 1.17 3k9bB1 PRO 2509 HG2 -1.08 0.04 -0.00 -0.04 2.03 0.95 3k9bB1 PRO 2509 HG3 -2.04 0.03 0.01 -0.04 2.03 -0.01 3k9bB1 PRO 2509 HD2 -0.26 -0.66 0.10 -0.04 3.68 2.81 3k9bB1 PRO 2509 HD3 -0.89 0.19 0.17 -0.04 3.65 3.07 3k9bB1 ASN 2510 H -0.04 0.02 -0.25 -0.55 8.53 7.71 3k9bB1 ASN 2510 HA 0.34 0.09 0.37 -0.75 4.76 4.81 3k9bB1 ASN 2510 HB2 0.12 0.01 -0.00 -0.04 2.88 2.96 3k9bB1 ASN 2510 HB3 0.21 -0.02 0.00 -0.04 2.79 2.95 3k9bB1 ASN 2510 HD21 -0.05 0.52 0.10 -0.04 7.03 7.56 3k9bB1 ASN 2510 HD22 0.07 -0.02 0.02 -0.04 7.74 7.77 3k9bB1 GLY 2511 H 0.18 0.30 0.20 -0.55 8.43 8.57 3k9bB1 GLY 2511 HA2 0.08 0.01 0.35 -0.51 4.01 3.94 3k9bB1 GLY 2511 HA3 0.07 0.17 0.37 -0.51 4.01 4.12 3k9bB1 GLU 2512 H 0.04 0.15 0.12 -0.55 8.60 8.37 3k9bB1 GLU 2512 HA 0.04 -0.02 0.45 -0.75 4.29 4.01 3k9bB1 GLU 2512 HB2 0.02 -0.02 0.03 -0.04 2.09 2.08 3k9bB1 GLU 2512 HB3 0.03 -0.00 0.13 -0.04 1.99 2.10 3k9bB1 GLU 2512 HG2 0.02 0.01 0.13 -0.04 2.34 2.45 3k9bB1 GLU 2512 HG3 0.01 0.05 -0.05 -0.04 2.34 2.31 3k9bB1 GLY 2513 H 0.03 0.08 0.18 -0.55 8.43 8.17 3k9bB1 GLY 2513 HA2 0.01 -0.05 0.32 -0.51 4.01 3.78 3k9bB1 GLY 2513 HA3 -0.01 0.10 0.50 -0.51 4.01 4.09 3k9bB1 LEU 2514 H 0.05 0.24 -0.15 -0.55 8.37 7.96 3k9bB1 LEU 2514 HA -0.04 0.20 1.00 -0.75 4.35 4.75 3k9bB1 LEU 2514 HB2 0.07 0.01 0.01 -0.04 1.64 1.69 3k9bB1 LEU 2514 HB3 -0.22 0.03 -0.07 -0.04 1.64 1.34 3k9bB1 LEU 2514 HG -0.14 0.08 -0.50 -0.04 1.64 1.04 3k9bB1 LEU 2514 HD13 -0.33 -0.03 -0.20 -0.04 0.93 0.32 3k9bB1 LEU 2514 HD23 -0.54 0.02 -0.05 -0.04 0.89 0.27 3k9bB1 PRO 2515 HA 0.14 -0.06 0.39 -0.51 4.44 4.40 3k9bB1 PRO 2515 HB2 0.12 0.05 -0.03 -0.04 2.28 2.38 3k9bB1 PRO 2515 HB3 0.09 -0.00 0.18 -0.04 2.02 2.24 3k9bB1 PRO 2515 HG2 0.34 -0.01 -0.01 -0.04 2.03 2.30 3k9bB1 PRO 2515 HG3 0.10 0.05 0.12 -0.04 2.03 2.27 3k9bB1 PRO 2515 HD2 0.04 0.13 0.24 -0.04 3.68 4.04 3k9bB1 PRO 2515 HD3 0.06 0.10 0.14 -0.04 3.65 3.90 3k9bB1 HIS 2516 H 0.23 0.01 0.17 -0.55 8.41 8.29 3k9bB1 HIS 2516 HA 0.22 0.12 0.48 -0.75 4.63 4.69 3k9bB1 HIS 2516 HB2 0.11 -0.00 0.12 -0.04 3.26 3.45 3k9bB1 HIS 2516 HB3 0.10 -0.06 0.13 -0.04 3.20 3.33 3k9bB1 HIS 2516 HD2 0.11 -0.05 -0.17 -0.04 6.97 6.82 3k9bB1 HIS 2516 HE1 0.13 0.03 -0.07 -0.04 7.75 7.79 3k9bB1 TRP 2517 H -0.07 0.16 0.09 -0.55 7.97 7.60 3k9bB1 TRP 2517 HA -0.15 0.14 0.72 -0.75 4.62 4.58 3k9bB1 TRP 2517 HB2 -0.39 0.05 -0.08 -0.04 3.23 2.77 3k9bB1 TRP 2517 HB3 -0.22 -0.07 0.11 -0.04 3.23 3.01 3k9bB1 TRP 2517 HD1 0.08 0.33 -0.35 -0.04 7.22 7.25 3k9bB1 TRP 2517 HE1 0.19 -0.03 0.09 -0.04 10.20 10.41 3k9bB1 TRP 2517 HE3 -1.43 0.06 -0.13 -0.04 7.59 6.04 3k9bB1 TRP 2517 HZ2 0.08 -0.06 -0.48 -0.04 7.44 6.94 3k9bB1 TRP 2517 HZ3 -0.20 -0.01 -0.15 -0.04 7.13 6.73 3k9bB1 TRP 2517 HH2 -0.37 -0.06 -0.21 -0.04 7.19 6.51 3k9bB1 PRO 2518 HA 0.18 0.00 0.39 -0.51 4.44 4.51 3k9bB1 PRO 2518 HB2 0.17 0.04 -0.04 -0.04 2.28 2.40 3k9bB1 PRO 2518 HB3 0.20 -0.02 0.05 -0.04 2.02 2.21 3k9bB1 PRO 2518 HG2 0.16 -0.06 -0.32 -0.04 2.03 1.77 3k9bB1 PRO 2518 HG3 0.09 0.01 0.05 -0.04 2.03 2.14 3k9bB1 PRO 2518 HD2 0.70 0.16 -0.18 -0.04 3.68 4.32 3k9bB1 PRO 2518 HD3 0.16 0.12 0.02 -0.04 3.65 3.90 3k9bB1 GLU 2519 H 0.13 0.03 0.20 -0.55 8.60 8.42 3k9bB1 GLU 2519 HA -0.43 0.21 0.85 -0.75 4.29 4.16 3k9bB1 GLU 2519 HB2 -0.06 0.02 0.13 -0.04 2.09 2.14 3k9bB1 GLU 2519 HB3 -0.03 -0.13 0.13 -0.04 1.99 1.92 3k9bB1 GLU 2519 HG2 -0.21 0.06 -0.21 -0.04 2.34 1.94 3k9bB1 GLU 2519 HG3 -0.85 0.10 0.15 -0.04 2.34 1.70 3k9bB1 TYR 2520 H -0.14 0.74 0.46 -0.55 8.29 8.80 3k9bB1 TYR 2520 HA 0.05 -0.09 0.51 -0.75 4.56 4.27 3k9bB1 TYR 2520 HB2 0.04 -0.13 0.01 -0.04 3.06 2.94 3k9bB1 TYR 2520 HB3 -0.03 0.06 0.07 -0.04 2.98 3.03 3k9bB1 TYR 2520 HD2 0.09 0.11 -0.23 -0.04 7.15 7.09 3k9bB1 TYR 2520 HE2 0.05 -0.05 -0.15 -0.04 6.85 6.66 3k9bB1 ASN 2521 H -0.10 0.15 0.27 -0.55 8.53 8.30 3k9bB1 ASN 2521 HA -0.05 0.35 0.81 -0.75 4.76 5.12 3k9bB1 ASN 2521 HB2 -0.03 -0.17 0.27 -0.04 2.88 2.90 3k9bB1 ASN 2521 HB3 -0.03 0.13 0.04 -0.04 2.79 2.89 3k9bB1 ASN 2521 HD21 0.03 -0.04 0.10 -0.04 7.03 7.07 3k9bB1 ASN 2521 HD22 0.01 0.06 0.06 -0.04 7.74 7.83 3k9bB1 GLN 2522 H -0.05 0.17 0.18 -0.55 8.47 8.22 3k9bB1 GLN 2522 HA -0.09 0.22 0.56 -0.75 4.36 4.30 3k9bB1 GLN 2522 HB2 -0.03 0.04 0.10 -0.04 2.15 2.22 3k9bB1 GLN 2522 HB3 -0.02 0.07 0.12 -0.04 2.02 2.15 3k9bB1 GLN 2522 HG2 -0.02 0.02 -0.17 -0.04 2.40 2.19 3k9bB1 GLN 2522 HG3 -0.01 0.03 0.00 -0.04 2.39 2.37 3k9bB1 GLN 2522 HE21 -0.00 0.05 0.06 -0.04 6.97 7.04 3k9bB1 GLN 2522 HE22 -0.00 0.01 0.03 -0.04 7.69 7.69 3k9bB1 LYS 2523 H -0.06 0.06 -0.07 -0.55 8.42 7.80 3k9bB1 LYS 2523 HA -0.03 0.13 0.40 -0.75 4.32 4.06 3k9bB1 LYS 2523 HB2 -0.01 -0.01 0.03 -0.04 1.87 1.84 3k9bB1 LYS 2523 HB3 0.00 0.02 0.08 -0.04 1.79 1.86 3k9bB1 LYS 2523 HG2 0.00 0.04 0.02 -0.04 1.46 1.48 3k9bB1 LYS 2523 HG3 -0.01 -0.05 0.05 -0.04 1.46 1.41 3k9bB1 LYS 2523 HD2 0.02 0.01 0.04 -0.04 1.69 1.72 3k9bB1 LYS 2523 HD3 0.02 0.01 0.02 -0.04 1.68 1.68 3k9bB1 LYS 2523 HE2 0.01 0.00 0.01 -0.04 2.99 2.97 3k9bB1 LYS 2523 HE3 0.01 0.00 0.02 -0.04 2.99 2.98 3k9bB1 GLU 2524 H -0.27 0.27 -0.97 -0.55 8.60 7.08 3k9bB1 GLU 2524 HA -0.98 0.15 0.20 -0.75 4.29 2.90 3k9bB1 GLU 2524 HB2 -0.03 0.00 -0.11 -0.04 2.09 1.91 3k9bB1 GLU 2524 HB3 0.01 -0.16 0.19 -0.04 1.99 1.99 3k9bB1 GLU 2524 HG2 -0.57 0.09 -0.01 -0.04 2.34 1.81 3k9bB1 GLU 2524 HG3 -0.22 0.22 -0.10 -0.04 2.34 2.20 3k9bB1 GLY 2525 H -0.04 0.04 -0.19 -0.55 8.43 7.70 3k9bB1 GLY 2525 HA2 0.13 0.20 0.79 -0.51 4.01 4.61 3k9bB1 GLY 2525 HA3 0.11 -0.01 0.22 -0.51 4.01 3.81 3k9bB1 TYR 2526 H 0.05 0.41 0.24 -0.55 8.29 8.44 3k9bB1 TYR 2526 HA 0.32 0.26 0.90 -0.75 4.56 5.28 3k9bB1 TYR 2526 HB2 0.13 -0.00 -0.24 -0.04 3.06 2.91 3k9bB1 TYR 2526 HB3 0.25 -0.04 -0.29 -0.04 2.98 2.86 3k9bB1 TYR 2526 HD2 0.07 0.15 -0.27 -0.04 7.15 7.07 3k9bB1 TYR 2526 HE2 0.04 0.10 -0.41 -0.04 6.85 6.54 3k9bB1 LEU 2527 H 0.10 0.53 0.29 -0.55 8.37 8.75 3k9bB1 LEU 2527 HA -0.38 0.20 0.92 -0.75 4.35 4.34 3k9bB1 LEU 2527 HB2 -1.99 0.08 -0.04 -0.04 1.64 -0.34 3k9bB1 LEU 2527 HB3 -1.18 -0.11 -0.01 -0.04 1.64 0.30 3k9bB1 LEU 2527 HG -0.47 -0.03 -0.31 -0.04 1.64 0.79 3k9bB1 LEU 2527 HD13 -0.34 0.00 -0.20 -0.04 0.93 0.35 3k9bB1 LEU 2527 HD23 -1.17 -0.00 -0.20 -0.04 0.89 -0.53 3k9bB1 GLN 2528 H -0.21 0.46 0.04 -0.55 8.47 8.22 3k9bB1 GLN 2528 HA 0.08 0.16 0.99 -0.75 4.36 4.83 3k9bB1 GLN 2528 HB2 -0.08 0.14 0.27 -0.04 2.15 2.45 3k9bB1 GLN 2528 HB3 -0.00 -0.01 0.05 -0.04 2.02 2.01 3k9bB1 GLN 2528 HG2 0.24 -0.03 -0.05 -0.04 2.40 2.52 3k9bB1 GLN 2528 HG3 -0.17 -0.03 -0.22 -0.04 2.39 1.92 3k9bB1 GLN 2528 HE21 0.07 -0.02 -0.03 -0.04 6.97 6.95 3k9bB1 GLN 2528 HE22 0.17 -0.03 -0.05 -0.04 7.69 7.74 3k9bB1 ILE 2529 H 0.01 0.40 0.09 -0.55 8.25 8.21 3k9bB1 ILE 2529 HA -0.11 0.14 0.75 -0.75 4.18 4.21 3k9bB1 ILE 2529 HB 0.09 -0.12 0.00 -0.04 1.89 1.83 3k9bB1 ILE 2529 HG12 -0.17 0.10 -0.19 -0.04 1.49 1.19 3k9bB1 ILE 2529 HG13 -0.22 -0.07 -0.34 -0.04 1.21 0.54 3k9bB1 ILE 2529 HG23 -0.05 0.01 -0.14 -0.04 0.93 0.71 3k9bB1 ILE 2529 HD13 -0.23 0.01 -0.15 -0.04 0.88 0.46 3k9bB1 GLY 2530 H -0.16 0.35 0.06 -0.55 8.43 8.14 3k9bB1 GLY 2530 HA2 -0.39 -0.02 0.23 -0.51 4.01 3.32 3k9bB1 GLY 2530 HA3 -0.15 0.21 0.51 -0.51 4.01 4.07 3k9bB1 ALA 2531 H 0.07 0.21 0.16 -0.55 8.40 8.30 3k9bB1 ALA 2531 HA -0.07 0.07 0.43 -0.75 4.34 4.02 3k9bB1 ALA 2531 HB3 0.11 -0.00 0.10 -0.04 1.41 1.58 3k9bB1 ASN 2532 H -0.03 0.09 -0.32 -0.55 8.53 7.73 3k9bB1 ASN 2532 HA -0.02 0.19 0.82 -0.75 4.76 5.00 3k9bB1 ASN 2532 HB2 -0.01 -0.03 -0.08 -0.04 2.88 2.72 3k9bB1 ASN 2532 HB3 -0.02 -0.02 0.14 -0.04 2.79 2.85 3k9bB1 ASN 2532 HD21 -0.01 0.01 -0.05 -0.04 7.03 6.94 3k9bB1 ASN 2532 HD22 -0.01 -0.03 -0.02 -0.04 7.74 7.64 3k9bB1 THR 2533 H -0.03 0.22 -0.04 -0.55 8.28 7.89 3k9bB1 THR 2533 HA -0.07 0.45 0.86 -0.75 4.39 4.87 3k9bB1 THR 2533 HB 0.02 0.01 0.21 -0.04 4.32 4.53 3k9bB1 THR 2533 HG23 -0.03 -0.01 -0.10 -0.04 1.22 1.03 3k9bB1 GLN 2534 H -0.07 0.36 0.28 -0.55 8.47 8.50 3k9bB1 GLN 2534 HA -0.03 0.17 0.99 -0.75 4.36 4.74 3k9bB1 GLN 2534 HB2 -0.02 -0.01 0.10 -0.04 2.15 2.17 3k9bB1 GLN 2534 HB3 -0.02 -0.05 -0.18 -0.04 2.02 1.73 3k9bB1 GLN 2534 HG2 -0.06 0.13 -0.14 -0.04 2.40 2.28 3k9bB1 GLN 2534 HG3 -0.03 -0.05 -0.03 -0.04 2.39 2.24 3k9bB1 GLN 2534 HE21 -0.02 -0.03 0.03 -0.04 6.97 6.90 3k9bB1 GLN 2534 HE22 -0.02 -0.02 -0.00 -0.04 7.69 7.60 3k9bB1 ALA 2535 H -0.03 0.09 0.19 -0.55 8.40 8.10 3k9bB1 ALA 2535 HA -0.20 0.15 0.63 -0.75 4.34 4.16 3k9bB1 ALA 2535 HB3 -0.01 0.04 0.17 -0.04 1.41 1.57 3k9bB1 ALA 2536 H -0.39 0.55 0.37 -0.55 8.40 8.38 3k9bB1 ALA 2536 HA -0.15 0.08 0.54 -0.75 4.34 4.06 3k9bB1 ALA 2536 HB3 -0.49 0.00 -0.05 -0.04 1.41 0.83 3k9bB1 GLN 2537 H 0.01 0.19 0.15 -0.55 8.47 8.28 3k9bB1 GLN 2537 HA 0.18 0.25 1.05 -0.75 4.36 5.08 3k9bB1 GLN 2537 HB2 0.05 -0.08 -0.01 -0.04 2.15 2.07 3k9bB1 GLN 2537 HB3 0.08 0.12 0.07 -0.04 2.02 2.25 3k9bB1 GLN 2537 HG2 0.04 0.07 -0.06 -0.04 2.40 2.41 3k9bB1 GLN 2537 HG3 -0.00 -0.13 -0.59 -0.04 2.39 1.63 3k9bB1 GLN 2537 HE21 0.02 -0.04 -0.03 -0.04 6.97 6.88 3k9bB1 GLN 2537 HE22 0.03 -0.01 -0.05 -0.04 7.69 7.62 3k9bB1 LYS 2538 H 0.19 0.65 0.29 -0.55 8.42 8.99 3k9bB1 LYS 2538 HA 0.15 0.07 0.39 -0.75 4.32 4.18 3k9bB1 LYS 2538 HB2 0.10 0.05 -0.09 -0.04 1.87 1.89 3k9bB1 LYS 2538 HB3 0.09 -0.12 0.13 -0.04 1.79 1.85 3k9bB1 LYS 2538 HG2 0.05 0.06 -0.00 -0.04 1.46 1.53 3k9bB1 LYS 2538 HG3 0.06 0.07 -0.05 -0.04 1.46 1.50 3k9bB1 LYS 2538 HD2 0.05 -0.03 -0.05 -0.04 1.69 1.61 3k9bB1 LYS 2538 HD3 0.05 -0.06 -0.02 -0.04 1.68 1.61 3k9bB1 LYS 2538 HE2 0.02 0.06 -0.03 -0.04 2.99 3.00 3k9bB1 LYS 2538 HE3 0.02 0.03 -0.04 -0.04 2.99 2.96 3k9bB1 LEU 2539 H 0.14 0.18 -0.06 -0.55 8.37 8.08 3k9bB1 LEU 2539 HA -0.12 0.07 0.42 -0.75 4.35 3.97 3k9bB1 LEU 2539 HB2 -1.49 0.03 -0.09 -0.04 1.64 0.04 3k9bB1 LEU 2539 HB3 -0.27 0.03 0.01 -0.04 1.64 1.36 3k9bB1 LEU 2539 HG -0.22 0.00 -0.27 -0.04 1.64 1.10 3k9bB1 LEU 2539 HD13 -0.36 -0.03 -0.05 -0.04 0.93 0.44 3k9bB1 LEU 2539 HD23 -0.45 0.00 -0.15 -0.04 0.89 0.25 3k9bB1 LYS 2540 H -0.01 0.17 0.16 -0.55 8.42 8.19 3k9bB1 LYS 2540 HA 0.05 -0.02 0.32 -0.75 4.32 3.92 3k9bB1 LYS 2540 HB2 0.00 0.20 -0.38 -0.04 1.87 1.65 3k9bB1 LYS 2540 HB3 0.08 -0.08 0.07 -0.04 1.79 1.82 3k9bB1 LYS 2540 HG2 -0.02 -0.01 -0.06 -0.04 1.46 1.33 3k9bB1 LYS 2540 HG3 0.01 0.00 -0.10 -0.04 1.46 1.34 3k9bB1 LYS 2540 HD2 0.11 -0.04 0.04 -0.04 1.69 1.75 3k9bB1 LYS 2540 HD3 0.07 0.00 0.07 -0.04 1.68 1.78 3k9bB1 LYS 2540 HE2 0.07 -0.07 0.04 -0.04 2.99 2.98 3k9bB1 LYS 2540 HE3 0.10 0.04 0.05 -0.04 2.99 3.14 3k9bB1 ASP 2541 H 0.07 0.27 -1.02 -0.55 8.40 7.17 3k9bB1 ASP 2541 HA 0.09 0.10 0.24 -0.75 4.63 4.31 3k9bB1 ASP 2541 HB2 0.08 0.05 -0.06 -0.04 2.71 2.74 3k9bB1 ASP 2541 HB3 0.07 -0.09 0.07 -0.04 2.70 2.71 3k9bB1 LYS 2542 H 0.06 0.13 -0.13 -0.55 8.42 7.92 3k9bB1 LYS 2542 HA 0.06 0.08 0.34 -0.75 4.32 4.04 3k9bB1 LYS 2542 HB2 0.03 -0.06 0.05 -0.04 1.87 1.85 3k9bB1 LYS 2542 HB3 0.01 0.05 -0.03 -0.04 1.79 1.77 3k9bB1 LYS 2542 HG2 0.02 0.03 0.03 -0.04 1.46 1.50 3k9bB1 LYS 2542 HG3 0.03 -0.00 0.05 -0.04 1.46 1.50 3k9bB1 LYS 2542 HD2 -0.02 0.02 -0.00 -0.04 1.69 1.65 3k9bB1 LYS 2542 HD3 0.00 0.02 0.01 -0.04 1.68 1.67 3k9bB1 LYS 2542 HE2 0.02 0.01 0.02 -0.04 2.99 2.99 3k9bB1 LYS 2542 HE3 -0.01 -0.03 -0.00 -0.04 2.99 2.91 3k9bB1 GLU 2543 H 0.11 0.07 -0.26 -0.55 8.60 7.97 3k9bB1 GLU 2543 HA 0.23 0.02 0.37 -0.75 4.29 4.16 3k9bB1 GLU 2543 HB2 0.24 0.10 0.10 -0.04 2.09 2.49 3k9bB1 GLU 2543 HB3 0.58 -0.01 -0.02 -0.04 1.99 2.50 3k9bB1 GLU 2543 HG2 0.30 0.02 0.03 -0.04 2.34 2.64 3k9bB1 GLU 2543 HG3 0.12 0.02 0.02 -0.04 2.34 2.46 3k9bB1 VAL 2544 H 0.19 0.61 -0.10 -0.55 8.24 8.39 3k9bB1 VAL 2544 HA 0.25 -0.04 0.35 -0.75 4.13 3.94 3k9bB1 VAL 2544 HB 0.12 0.15 0.15 -0.04 2.12 2.49 3k9bB1 VAL 2544 HG13 0.11 -0.00 -0.11 -0.04 0.97 0.93 3k9bB1 VAL 2544 HG23 0.11 0.08 -0.01 -0.04 0.95 1.09 3k9bB1 ALA 2545 H 0.13 0.46 -0.14 -0.55 8.40 8.30 3k9bB1 ALA 2545 HA 0.08 0.00 0.30 -0.75 4.34 3.97 3k9bB1 ALA 2545 HB3 0.08 0.03 0.08 -0.04 1.41 1.56 3k9bB1 PHE 2546 H 0.21 0.44 -0.13 -0.55 8.34 8.31 3k9bB1 PHE 2546 HA -0.12 -0.02 0.40 -0.75 4.62 4.12 3k9bB1 PHE 2546 HB2 -0.15 -0.02 0.10 -0.04 3.15 3.04 3k9bB1 PHE 2546 HB3 -0.19 0.10 0.25 -0.04 3.06 3.17 3k9bB1 PHE 2546 HD2 -0.99 -0.00 -0.01 -0.04 7.28 6.24 3k9bB1 PHE 2546 HE2 -0.99 -0.01 -0.07 -0.04 7.38 6.27 3k9bB1 PHE 2546 HZ -0.42 -0.04 -0.19 -0.04 7.32 6.64 3k9bB1 TRP 2547 H 0.18 0.64 0.09 -0.55 7.97 8.33 3k9bB1 TRP 2547 HA -0.48 -0.06 0.42 -0.75 4.62 3.75 3k9bB1 TRP 2547 HB2 0.09 0.09 0.09 -0.04 3.23 3.46 3k9bB1 TRP 2547 HB3 0.06 0.01 -0.04 -0.04 3.23 3.22 3k9bB1 TRP 2547 HD1 0.26 0.03 -0.12 -0.04 7.22 7.35 3k9bB1 TRP 2547 HE1 0.49 -0.04 -0.03 -0.04 10.20 10.57 3k9bB1 TRP 2547 HE3 -0.68 0.04 -0.01 -0.04 7.59 6.90 3k9bB1 TRP 2547 HZ2 -0.14 -0.02 -0.06 -0.04 7.44 7.17 3k9bB1 TRP 2547 HZ3 -0.31 0.03 -0.09 -0.04 7.13 6.72 3k9bB1 TRP 2547 HH2 -0.06 -0.04 -0.11 -0.04 7.19 6.94 3k9bB1 THR 2548 H 0.19 0.90 -0.05 -0.55 8.28 8.78 3k9bB1 THR 2548 HA 0.20 -0.01 0.32 -0.75 4.39 4.15 3k9bB1 THR 2548 HB 0.08 0.11 0.03 -0.04 4.32 4.51 3k9bB1 THR 2548 HG23 0.07 -0.02 -0.08 -0.04 1.22 1.14 3k9bB1 ASN 2549 H -0.09 0.42 -0.51 -0.55 8.53 7.80 3k9bB1 ASN 2549 HA -0.02 0.09 0.71 -0.75 4.76 4.79 3k9bB1 ASN 2549 HB2 -0.04 0.05 0.11 -0.04 2.88 2.95 3k9bB1 ASN 2549 HB3 -0.18 0.11 0.23 -0.04 2.79 2.91 3k9bB1 ASN 2549 HD21 -0.06 -0.06 -0.09 -0.04 7.03 6.78 3k9bB1 ASN 2549 HD22 -0.14 0.01 -0.10 -0.04 7.74 7.46 3k9bB1 LEU 2550 H -0.49 0.50 0.19 -0.55 8.37 8.02 3k9bB1 LEU 2550 HA -0.23 -0.03 0.42 -0.75 4.35 3.76 3k9bB1 LEU 2550 HB2 -0.87 -0.04 0.10 -0.04 1.64 0.79 3k9bB1 LEU 2550 HB3 -0.79 0.04 0.11 -0.04 1.64 0.96 3k9bB1 LEU 2550 HG -0.31 0.09 -0.16 -0.04 1.64 1.22 3k9bB1 LEU 2550 HD13 -0.17 -0.02 0.07 -0.04 0.93 0.77 3k9bB1 LEU 2550 HD23 -0.49 -0.03 -0.11 -0.04 0.89 0.21 3k9bB1 PHE 2551 H -0.06 0.43 -0.32 -0.55 8.34 7.84 3k9bB1 PHE 2551 HA 0.03 0.07 0.41 -0.75 4.62 4.38 3k9bB1 PHE 2551 HB2 0.05 0.21 0.02 -0.04 3.15 3.39 3k9bB1 PHE 2551 HB3 0.04 -0.04 -0.05 -0.04 3.06 2.97 3k9bB1 PHE 2551 HD2 0.12 0.04 -0.05 -0.04 7.28 7.34 3k9bB1 PHE 2551 HE2 0.06 -0.03 0.00 -0.04 7.38 7.38 3k9bB1 PHE 2551 HZ 0.03 0.09 0.00 -0.04 7.32 7.40 3k9bB1 ALA 2552 H 0.07 0.32 -0.42 -0.55 8.40 7.82 3k9bB1 ALA 2552 HA 0.07 -0.04 0.41 -0.75 4.34 4.03 3k9bB1 ALA 2552 HB3 0.02 0.01 0.16 -0.04 1.41 1.57 3k9bB1 LYS 2553 H 0.03 0.28 -0.27 -0.55 8.42 7.91 3k9bB1 LYS 2553 HA 0.04 0.24 0.80 -0.75 4.32 4.64 3k9bB1 LYS 2553 HB2 0.01 0.03 0.06 -0.04 1.87 1.92 3k9bB1 LYS 2553 HB3 0.02 -0.04 0.06 -0.04 1.79 1.78 3k9bB1 LYS 2553 HG2 0.02 0.03 -0.09 -0.04 1.46 1.38 3k9bB1 LYS 2553 HG3 0.01 -0.01 -0.21 -0.04 1.46 1.21 3k9bB1 LYS 2553 HD2 -0.00 -0.01 -0.02 -0.04 1.69 1.62 3k9bB1 LYS 2553 HD3 0.01 -0.03 -0.01 -0.04 1.68 1.61 3k9bB1 LYS 2553 HE2 0.00 0.02 -0.04 -0.04 2.99 2.92 3k9bB1 LYS 2553 HE3 0.00 -0.04 -0.02 -0.04 2.99 2.89