============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 2 0.840 42.185 87.666 -27.570 -99.200 -91.000 PHE 11 1.000 32.455 86.222 -7.008 -99.200 -91.000 TYR 41 0.840 43.153 89.263 -0.203 -99.200 -91.000 TYR 59 0.840 28.810 87.796 7.102 -99.200 -91.000 HIS 61 0.900 17.894 87.239 2.839 -99.200 -91.000 HIS 64 0.900 17.112 90.494 0.465 -99.200 -91.000 HIS 65 0.900 21.921 88.942 -2.237 -99.200 -91.000 TYR 75 0.840 30.835 77.254 -11.018 -99.200 -91.000 PHE 85 1.000 26.294 89.510 15.931 -99.200 -91.000 PHE 88 1.000 22.751 91.496 21.585 -99.200 -91.000 HIS 90 0.900 24.241 97.178 21.817 -99.200 -91.000 PHE 101 1.000 15.014 98.497 17.610 -99.200 -91.000 TYR 116 0.840 4.806 108.467 6.880 -99.200 -91.000 HIS 123 0.900 8.026 102.278 0.236 -99.200 -91.000 TYR 146 0.840 17.056 112.311 5.637 -99.200 -91.000 PHE 159 1.000 20.658 100.427 16.544 -99.200 -91.000 TRP 163 1.040 23.679 99.109 13.293 -99.200 -91.000 TRP6 163 1.020 24.820 97.189 12.515 -99.200 -91.000 TRP 165 1.040 31.961 106.093 10.264 -99.200 -91.000 TRP6 165 1.020 32.896 106.602 12.377 -99.200 -91.000 TRP 179 1.040 25.261 104.916 -1.324 -99.200 -91.000 TRP6 179 1.020 24.754 104.089 -3.481 -99.200 -91.000 HIS 187 0.900 20.068 95.759 1.837 -99.200 -91.000 HIS 188 0.900 12.789 92.690 -1.608 -99.200 -91.000 TYR 189 0.840 11.174 100.381 -2.093 -99.200 -91.000 PHE 202 1.000 30.131 82.826 -1.069 -99.200 -91.000 HIS 244 0.900 50.831 92.558 -26.409 -99.200 -91.000 PHE 246 1.000 46.821 91.658 -24.711 -99.200 -91.000 HIS 249 0.900 35.362 92.372 -33.979 -99.200 -91.000 TRP 260 1.040 35.519 102.465 -14.258 -99.200 -91.000 TRP6 260 1.020 33.238 103.007 -13.963 -99.200 -91.000 PHE 265 1.000 37.715 104.430 -20.327 -99.200 -91.000 HIS 281 0.900 33.367 104.938 -4.296 -99.200 -91.000 HIS 291 0.900 44.653 86.296 17.624 -99.200 -91.000 PHE 307 1.000 37.930 100.120 15.715 -99.200 -91.000 TYR 311 0.840 29.552 93.076 13.336 -99.200 -91.000 TYR 313 0.840 35.465 86.855 10.264 -99.200 -91.000 PHE 326 1.000 32.467 95.978 8.611 -99.200 -91.000 PHE 332 1.000 41.362 102.646 13.921 -99.200 -91.000 TYR 346 0.840 33.815 104.503 23.758 -99.200 -91.000 TYR 347 0.840 32.245 100.315 21.179 -99.200 -91.000 TYR 358 0.840 44.930 97.259 7.941 -99.200 -91.000 HIS 359 0.900 44.063 94.872 0.524 -99.200 -91.000 TRP 361 1.040 39.571 96.218 0.625 -99.200 -91.000 TRP6 361 1.020 40.177 94.675 -1.060 -99.200 -91.000 PHE 367 1.000 40.641 95.793 -5.574 -99.200 -91.000 TRP 371 1.040 30.729 99.817 1.035 -99.200 -91.000 TRP6 371 1.020 31.931 99.086 2.929 -99.200 -91.000 PHE 379 1.000 26.566 107.273 -7.207 -99.200 -91.000 HIS 383 0.900 23.173 105.501 -9.328 -99.200 -91.000 HIS 394 0.900 28.996 96.334 -23.691 -99.200 -91.000 PHE 395 1.000 32.876 102.291 -18.930 -99.200 -91.000 PHE 404 1.000 19.974 93.169 -3.303 -99.200 -91.000 TYR 407 0.840 24.688 93.554 -0.188 -99.200 -91.000 HIS 424 0.900 20.954 88.001 -26.329 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3k7tA1 MET 1 HA -0.07 -0.02 0.21 -0.75 4.52 3.89 3k7tA1 MET 1 HB2 -0.07 -0.05 0.02 -0.04 2.15 2.02 3k7tA1 MET 1 HB3 -0.08 -0.03 0.08 -0.04 2.03 1.96 3k7tA1 MET 1 HG2 -0.01 -0.04 -0.07 -0.04 2.63 2.47 3k7tA1 MET 1 HG3 -0.03 0.03 -0.29 -0.04 2.56 2.24 3k7tA1 MET 1 HE3 -0.08 -0.02 -0.07 -0.04 2.10 1.89 3k7tA1 TYR 2 H 0.12 0.43 0.27 -0.55 8.29 8.56 3k7tA1 TYR 2 HA 0.03 0.16 0.91 -0.75 4.56 4.90 3k7tA1 TYR 2 HB2 0.01 -0.02 0.01 -0.04 3.06 3.01 3k7tA1 TYR 2 HB3 0.01 0.11 0.08 -0.04 2.98 3.15 3k7tA1 TYR 2 HD2 0.04 0.05 -0.18 -0.04 7.15 7.03 3k7tA1 TYR 2 HE2 0.13 -0.02 -0.09 -0.04 6.85 6.84 3k7tA1 ASP 3 H 0.18 0.50 0.39 -0.55 8.40 8.91 3k7tA1 ASP 3 HA 0.27 0.07 0.78 -0.75 4.63 4.99 3k7tA1 ASP 3 HB2 0.09 0.02 0.17 -0.04 2.71 2.95 3k7tA1 ASP 3 HB3 0.08 0.03 0.05 -0.04 2.70 2.81 3k7tA1 ALA 4 H 0.11 0.43 0.17 -0.55 8.40 8.57 3k7tA1 ALA 4 HA 0.06 0.39 0.69 -0.75 4.34 4.73 3k7tA1 ALA 4 HB3 0.02 -0.00 -0.15 -0.04 1.41 1.25 3k7tA1 ILE 5 H -0.00 0.53 0.25 -0.55 8.25 8.48 3k7tA1 ILE 5 HA -0.17 0.22 1.07 -0.75 4.18 4.55 3k7tA1 ILE 5 HB -0.05 0.02 0.05 -0.04 1.89 1.87 3k7tA1 ILE 5 HG12 -0.38 0.02 -0.04 -0.04 1.49 1.04 3k7tA1 ILE 5 HG13 -0.10 -0.04 -0.30 -0.04 1.21 0.73 3k7tA1 ILE 5 HG23 -0.16 -0.00 -0.26 -0.04 0.93 0.47 3k7tA1 ILE 5 HD13 0.05 0.01 -0.32 -0.04 0.88 0.58 3k7tA1 VAL 6 H -0.13 0.75 0.30 -0.55 8.24 8.61 3k7tA1 VAL 6 HA -0.05 0.13 0.94 -0.75 4.13 4.41 3k7tA1 VAL 6 HB -0.07 -0.01 0.16 -0.04 2.12 2.16 3k7tA1 VAL 6 HG13 -0.02 0.02 -0.12 -0.04 0.97 0.82 3k7tA1 VAL 6 HG23 -0.04 -0.01 -0.22 -0.04 0.95 0.65 3k7tA1 VAL 7 H -0.04 0.94 0.38 -0.55 8.24 8.96 3k7tA1 VAL 7 HA -0.07 0.11 0.81 -0.75 4.13 4.22 3k7tA1 VAL 7 HB -0.01 -0.05 0.30 -0.04 2.12 2.33 3k7tA1 VAL 7 HG13 -0.00 -0.01 -0.06 -0.04 0.97 0.86 3k7tA1 VAL 7 HG23 -0.06 0.03 -0.07 -0.04 0.95 0.81 3k7tA1 GLY 8 H -0.05 0.73 0.27 -0.55 8.43 8.84 3k7tA1 GLY 8 HA2 -0.03 -0.11 0.47 -0.51 4.01 3.83 3k7tA1 GLY 8 HA3 0.01 0.20 0.69 -0.51 4.01 4.40 3k7tA1 GLY 9 H -0.03 0.09 0.10 -0.55 8.43 8.05 3k7tA1 GLY 9 HA2 -0.04 0.30 0.67 -0.51 4.01 4.43 3k7tA1 GLY 9 HA3 -0.04 0.04 0.29 -0.51 4.01 3.78 3k7tA1 GLY 10 H 0.01 0.20 -0.20 -0.55 8.43 7.90 3k7tA1 GLY 10 HA2 -0.03 0.08 0.45 -0.51 4.01 4.00 3k7tA1 GLY 10 HA3 0.06 0.06 0.31 -0.51 4.01 3.93 3k7tA1 PHE 11 H 0.16 0.23 0.19 -0.55 8.34 8.37 3k7tA1 PHE 11 HA 0.03 0.15 0.33 -0.75 4.62 4.39 3k7tA1 PHE 11 HB2 0.04 -0.06 0.16 -0.04 3.15 3.25 3k7tA1 PHE 11 HB3 0.05 0.06 -0.06 -0.04 3.06 3.06 3k7tA1 PHE 11 HD2 0.03 -0.01 0.05 -0.04 7.28 7.30 3k7tA1 PHE 11 HE2 -0.03 0.05 -0.05 -0.04 7.38 7.31 3k7tA1 PHE 11 HZ -0.08 0.02 -0.04 -0.04 7.32 7.18 3k7tA1 SER 12 H 0.17 0.01 -0.21 -0.55 8.46 7.89 3k7tA1 SER 12 HA 0.12 0.28 0.59 -0.75 4.49 4.72 3k7tA1 SER 12 HB2 0.12 -0.00 0.02 -0.04 3.95 4.04 3k7tA1 SER 12 HB3 0.11 0.07 -0.10 -0.04 3.93 3.97 3k7tA1 GLY 13 H 0.06 -0.02 -0.31 -0.55 8.43 7.61 3k7tA1 GLY 13 HA2 0.02 0.06 0.34 -0.51 4.01 3.93 3k7tA1 GLY 13 HA3 0.01 0.26 0.18 -0.51 4.01 3.96 3k7tA1 LEU 14 H 0.01 0.60 -0.18 -0.55 8.37 8.26 3k7tA1 LEU 14 HA -0.01 0.12 0.35 -0.75 4.35 4.04 3k7tA1 LEU 14 HB2 -0.04 -0.05 -0.06 -0.04 1.64 1.45 3k7tA1 LEU 14 HB3 -0.04 0.03 -0.15 -0.04 1.64 1.44 3k7tA1 LEU 14 HG -0.10 0.03 -0.29 -0.04 1.64 1.24 3k7tA1 LEU 14 HD13 -0.34 -0.04 -0.14 -0.04 0.93 0.37 3k7tA1 LEU 14 HD23 -0.08 -0.00 -0.12 -0.04 0.89 0.65 3k7tA1 LYS 15 H 0.09 0.23 -0.40 -0.55 8.42 7.78 3k7tA1 LYS 15 HA 0.09 0.14 0.57 -0.75 4.32 4.37 3k7tA1 LYS 15 HB2 0.15 0.05 0.09 -0.04 1.87 2.12 3k7tA1 LYS 15 HB3 0.10 0.03 0.09 -0.04 1.79 1.96 3k7tA1 LYS 15 HG2 0.07 -0.01 -0.11 -0.04 1.46 1.37 3k7tA1 LYS 15 HG3 0.11 0.01 0.01 -0.04 1.46 1.55 3k7tA1 LYS 15 HD2 0.09 -0.11 0.03 -0.04 1.69 1.67 3k7tA1 LYS 15 HD3 0.07 0.00 0.00 -0.04 1.68 1.71 3k7tA1 LYS 15 HE2 0.05 0.07 -0.00 -0.04 2.99 3.06 3k7tA1 LYS 15 HE3 0.05 0.01 -0.05 -0.04 2.99 2.96 3k7tA1 ALA 16 H 0.05 0.43 -0.13 -0.55 8.40 8.19 3k7tA1 ALA 16 HA 0.02 0.06 0.34 -0.75 4.34 4.00 3k7tA1 ALA 16 HB3 0.01 0.00 0.03 -0.04 1.41 1.41 3k7tA1 ALA 17 H 0.01 0.42 -0.26 -0.55 8.40 8.02 3k7tA1 ALA 17 HA -0.01 0.03 0.35 -0.75 4.34 3.96 3k7tA1 ALA 17 HB3 -0.03 0.02 -0.02 -0.04 1.41 1.34 3k7tA1 ARG 18 H 0.03 0.18 -0.51 -0.55 8.46 7.61 3k7tA1 ARG 18 HA 0.03 0.18 0.47 -0.75 4.34 4.27 3k7tA1 ARG 18 HB2 0.05 0.15 0.07 -0.04 1.90 2.13 3k7tA1 ARG 18 HB3 0.06 -0.01 0.17 -0.04 1.80 1.98 3k7tA1 ARG 18 HG2 0.06 -0.06 -0.19 -0.04 1.67 1.45 3k7tA1 ARG 18 HG3 0.07 0.06 -0.01 -0.04 1.67 1.76 3k7tA1 ARG 18 HD2 0.17 -0.02 -0.01 -0.04 3.22 3.32 3k7tA1 ARG 18 HD3 0.16 0.01 0.03 -0.04 3.22 3.38 3k7tA1 ASP 19 H 0.03 0.59 -0.04 -0.55 8.40 8.44 3k7tA1 ASP 19 HA 0.03 0.05 0.37 -0.75 4.63 4.33 3k7tA1 ASP 19 HB2 0.03 0.06 0.09 -0.04 2.71 2.84 3k7tA1 ASP 19 HB3 0.03 -0.03 -0.00 -0.04 2.70 2.65 3k7tA1 LEU 20 H 0.01 0.38 -0.28 -0.55 8.37 7.94 3k7tA1 LEU 20 HA 0.00 0.06 0.53 -0.75 4.35 4.18 3k7tA1 LEU 20 HB2 0.00 0.11 0.04 -0.04 1.64 1.75 3k7tA1 LEU 20 HB3 0.01 -0.06 -0.07 -0.04 1.64 1.47 3k7tA1 LEU 20 HG -0.01 -0.01 0.01 -0.04 1.64 1.59 3k7tA1 LEU 20 HD13 -0.02 -0.00 -0.16 -0.04 0.93 0.71 3k7tA1 LEU 20 HD23 -0.02 -0.00 -0.01 -0.04 0.89 0.82 3k7tA1 THR 21 H 0.02 0.33 -0.27 -0.55 8.28 7.80 3k7tA1 THR 21 HA 0.02 0.25 0.57 -0.75 4.39 4.48 3k7tA1 THR 21 HB 0.02 0.17 0.23 -0.04 4.32 4.69 3k7tA1 THR 21 HG23 0.02 -0.02 0.07 -0.04 1.22 1.26 3k7tA1 ASN 22 H 0.02 0.37 -0.18 -0.55 8.53 8.19 3k7tA1 ASN 22 HA 0.02 0.06 0.44 -0.75 4.76 4.52 3k7tA1 ASN 22 HB2 0.02 0.09 0.11 -0.04 2.88 3.06 3k7tA1 ASN 22 HB3 0.01 -0.05 0.03 -0.04 2.79 2.73 3k7tA1 ASN 22 HD21 0.02 -0.02 0.00 -0.04 7.03 6.99 3k7tA1 ASN 22 HD22 0.01 -0.04 0.01 -0.04 7.74 7.68 3k7tA1 ALA 23 H 0.00 0.22 -0.40 -0.55 8.40 7.68 3k7tA1 ALA 23 HA -0.01 0.06 0.59 -0.75 4.34 4.23 3k7tA1 ALA 23 HB3 -0.02 0.01 0.10 -0.04 1.41 1.46 3k7tA1 GLY 24 H 0.01 0.25 -0.24 -0.55 8.43 7.90 3k7tA1 GLY 24 HA2 0.01 0.05 0.25 -0.51 4.01 3.81 3k7tA1 GLY 24 HA3 0.00 0.12 0.84 -0.51 4.01 4.46 3k7tA1 LYS 25 H 0.01 0.30 0.18 -0.55 8.42 8.35 3k7tA1 LYS 25 HA 0.03 0.07 0.60 -0.75 4.32 4.26 3k7tA1 LYS 25 HB2 0.02 0.05 -0.10 -0.04 1.87 1.80 3k7tA1 LYS 25 HB3 0.04 -0.09 -0.06 -0.04 1.79 1.64 3k7tA1 LYS 25 HG2 -0.00 -0.01 -0.07 -0.04 1.46 1.34 3k7tA1 LYS 25 HG3 -0.00 -0.03 -0.03 -0.04 1.46 1.35 3k7tA1 LYS 25 HD2 0.02 -0.04 -0.03 -0.04 1.69 1.60 3k7tA1 LYS 25 HD3 0.00 0.02 -0.07 -0.04 1.68 1.59 3k7tA1 LYS 25 HE2 -0.03 0.02 -0.09 -0.04 2.99 2.86 3k7tA1 LYS 25 HE3 -0.03 -0.01 -0.10 -0.04 2.99 2.81 3k7tA1 LYS 26 H 0.07 0.11 0.22 -0.55 8.42 8.26 3k7tA1 LYS 26 HA 0.09 0.16 0.73 -0.75 4.32 4.55 3k7tA1 LYS 26 HB2 0.05 0.08 0.19 -0.04 1.87 2.15 3k7tA1 LYS 26 HB3 0.10 -0.19 0.34 -0.04 1.79 2.00 3k7tA1 LYS 26 HG2 0.30 -0.02 -0.11 -0.04 1.46 1.58 3k7tA1 LYS 26 HG3 0.09 0.02 0.06 -0.04 1.46 1.59 3k7tA1 LYS 26 HD2 -0.05 -0.03 0.07 -0.04 1.69 1.64 3k7tA1 LYS 26 HD3 -0.15 0.26 0.16 -0.04 1.68 1.92 3k7tA1 LYS 26 HE2 -0.29 0.06 -0.02 -0.04 2.99 2.70 3k7tA1 LYS 26 HE3 -0.50 -0.05 -0.09 -0.04 2.99 2.31 3k7tA1 VAL 27 H 0.09 0.26 0.25 -0.55 8.24 8.29 3k7tA1 VAL 27 HA 0.03 0.28 1.05 -0.75 4.13 4.73 3k7tA1 VAL 27 HB -0.00 0.02 0.09 -0.04 2.12 2.19 3k7tA1 VAL 27 HG13 -0.04 -0.02 -0.07 -0.04 0.97 0.80 3k7tA1 VAL 27 HG23 0.02 0.06 -0.26 -0.04 0.95 0.73 3k7tA1 LEU 28 H -0.23 0.49 0.39 -0.55 8.37 8.48 3k7tA1 LEU 28 HA -0.28 0.25 0.96 -0.75 4.35 4.52 3k7tA1 LEU 28 HB2 -1.61 0.04 -0.05 -0.04 1.64 -0.03 3k7tA1 LEU 28 HB3 -0.83 -0.06 0.11 -0.04 1.64 0.83 3k7tA1 LEU 28 HG -0.54 0.02 -0.38 -0.04 1.64 0.70 3k7tA1 LEU 28 HD13 -0.35 0.01 -0.09 -0.04 0.93 0.46 3k7tA1 LEU 28 HD23 -0.99 -0.01 -0.13 -0.04 0.89 -0.29 3k7tA1 LEU 29 H -0.18 0.76 0.34 -0.55 8.37 8.74 3k7tA1 LEU 29 HA -0.14 0.24 1.02 -0.75 4.35 4.71 3k7tA1 LEU 29 HB2 -0.08 0.02 0.01 -0.04 1.64 1.54 3k7tA1 LEU 29 HB3 -0.10 -0.06 0.15 -0.04 1.64 1.59 3k7tA1 LEU 29 HG -0.07 0.14 -0.06 -0.04 1.64 1.61 3k7tA1 LEU 29 HD13 -0.05 -0.02 -0.17 -0.04 0.93 0.65 3k7tA1 LEU 29 HD23 -0.07 -0.07 -0.39 -0.04 0.89 0.32 3k7tA1 LEU 30 H -0.14 0.70 0.26 -0.55 8.37 8.64 3k7tA1 LEU 30 HA -0.18 0.23 1.03 -0.75 4.35 4.68 3k7tA1 LEU 30 HB2 -0.16 -0.07 0.12 -0.04 1.64 1.49 3k7tA1 LEU 30 HB3 -0.17 0.12 -0.03 -0.04 1.64 1.52 3k7tA1 LEU 30 HG -0.41 -0.03 -0.44 -0.04 1.64 0.71 3k7tA1 LEU 30 HD13 -0.36 -0.00 -0.19 -0.04 0.93 0.33 3k7tA1 LEU 30 HD23 -0.67 0.02 -0.13 -0.04 0.89 0.08 3k7tA1 GLU 31 H -0.09 0.54 0.11 -0.55 8.60 8.61 3k7tA1 GLU 31 HA -0.06 -0.03 0.94 -0.75 4.29 4.39 3k7tA1 GLU 31 HB2 -0.05 -0.04 -0.08 -0.04 2.09 1.88 3k7tA1 GLU 31 HB3 -0.05 0.11 -0.02 -0.04 1.99 1.99 3k7tA1 GLU 31 HG2 -0.03 0.17 -0.17 -0.04 2.34 2.27 3k7tA1 GLU 31 HG3 -0.03 -0.01 -0.23 -0.04 2.34 2.03 3k7tA1 GLY 32 H -0.05 0.11 0.15 -0.55 8.43 8.09 3k7tA1 GLY 32 HA2 -0.03 0.04 -0.10 -0.51 4.01 3.41 3k7tA1 GLY 32 HA3 -0.04 0.06 0.16 -0.51 4.01 3.68 3k7tA1 GLY 33 H -0.03 -0.02 -0.18 -0.55 8.43 7.65 3k7tA1 GLY 33 HA2 -0.01 0.24 0.70 -0.51 4.01 4.44 3k7tA1 GLY 33 HA3 -0.00 -0.01 0.34 -0.51 4.01 3.83 3k7tA1 GLU 34 H -0.01 0.15 0.15 -0.55 8.60 8.34 3k7tA1 GLU 34 HA -0.01 0.18 0.64 -0.75 4.29 4.35 3k7tA1 GLU 34 HB2 -0.01 -0.02 0.07 -0.04 2.09 2.09 3k7tA1 GLU 34 HB3 -0.00 0.05 0.14 -0.04 1.99 2.13 3k7tA1 GLU 34 HG2 -0.00 0.07 -0.01 -0.04 2.34 2.36 3k7tA1 GLU 34 HG3 -0.00 -0.07 -0.01 -0.04 2.34 2.22 3k7tA1 ARG 35 H -0.01 0.05 -0.18 -0.55 8.46 7.77 3k7tA1 ARG 35 HA -0.01 0.23 0.75 -0.75 4.34 4.56 3k7tA1 ARG 35 HB2 0.02 0.10 0.05 -0.04 1.90 2.03 3k7tA1 ARG 35 HB3 0.02 0.09 -0.16 -0.04 1.80 1.71 3k7tA1 ARG 35 HG2 -0.04 -0.09 -0.08 -0.04 1.67 1.42 3k7tA1 ARG 35 HG3 -0.01 -0.08 -0.15 -0.04 1.67 1.38 3k7tA1 ARG 35 HD2 0.06 0.09 -0.11 -0.04 3.22 3.21 3k7tA1 ARG 35 HD3 0.04 0.03 -0.08 -0.04 3.22 3.16 3k7tA1 LEU 36 H -0.02 0.22 0.13 -0.55 8.37 8.16 3k7tA1 LEU 36 HA -0.03 0.07 0.85 -0.75 4.35 4.49 3k7tA1 LEU 36 HB2 -0.06 0.02 0.03 -0.04 1.64 1.58 3k7tA1 LEU 36 HB3 -0.08 0.14 0.10 -0.04 1.64 1.75 3k7tA1 LEU 36 HG -0.04 -0.08 -0.21 -0.04 1.64 1.27 3k7tA1 LEU 36 HD13 -0.05 0.03 -0.06 -0.04 0.93 0.81 3k7tA1 LEU 36 HD23 -0.05 -0.01 -0.07 -0.04 0.89 0.72 3k7tA1 GLY 37 H -0.07 0.68 0.16 -0.55 8.43 8.66 3k7tA1 GLY 37 HA2 -0.28 -0.02 0.38 -0.51 4.01 3.57 3k7tA1 GLY 37 HA3 -0.09 0.30 0.79 -0.51 4.01 4.51 3k7tA1 GLY 38 H 0.09 0.24 -0.36 -0.55 8.43 7.86 3k7tA1 GLY 38 HA2 0.45 0.10 0.23 -0.51 4.01 4.27 3k7tA1 GLY 38 HA3 0.25 -0.02 0.52 -0.51 4.01 4.25 3k7tA1 ARG 39 H 0.12 0.13 0.23 -0.55 8.46 8.39 3k7tA1 ARG 39 HA -0.94 0.15 0.49 -0.75 4.34 3.29 3k7tA1 ARG 39 HB2 -0.11 -0.08 0.16 -0.04 1.90 1.82 3k7tA1 ARG 39 HB3 -0.39 0.03 0.07 -0.04 1.80 1.47 3k7tA1 ARG 39 HG2 -1.50 0.01 0.09 -0.04 1.67 0.23 3k7tA1 ARG 39 HG3 -0.58 -0.07 0.06 -0.04 1.67 1.05 3k7tA1 ARG 39 HD2 -0.16 -0.05 0.10 -0.04 3.22 3.07 3k7tA1 ARG 39 HD3 -0.17 0.37 0.29 -0.04 3.22 3.68 3k7tA1 ALA 40 H 0.08 0.21 -0.39 -0.55 8.40 7.75 3k7tA1 ALA 40 HA 0.08 0.05 0.68 -0.75 4.34 4.40 3k7tA1 ALA 40 HB3 0.18 0.00 0.10 -0.04 1.41 1.66 3k7tA1 TYR 41 H 0.26 0.39 -0.20 -0.55 8.29 8.19 3k7tA1 TYR 41 HA 0.05 0.15 0.50 -0.75 4.56 4.50 3k7tA1 TYR 41 HB2 0.34 0.19 -0.06 -0.04 3.06 3.48 3k7tA1 TYR 41 HB3 0.26 -0.09 0.10 -0.04 2.98 3.21 3k7tA1 TYR 41 HD2 -0.15 0.00 -0.07 -0.04 7.15 6.88 3k7tA1 TYR 41 HE2 -0.16 0.03 -0.09 -0.04 6.85 6.59 3k7tA1 SER 42 H 0.09 0.30 0.12 -0.55 8.46 8.43 3k7tA1 SER 42 HA -0.12 0.25 1.04 -0.75 4.49 4.90 3k7tA1 SER 42 HB2 -0.03 -0.15 -0.10 -0.04 3.95 3.63 3k7tA1 SER 42 HB3 -0.02 -0.00 0.16 -0.04 3.93 4.02 3k7tA1 ARG 43 H -0.29 0.36 0.18 -0.55 8.46 8.16 3k7tA1 ARG 43 HA -0.11 0.17 0.85 -0.75 4.34 4.50 3k7tA1 ARG 43 HB2 -0.16 0.04 0.11 -0.04 1.90 1.86 3k7tA1 ARG 43 HB3 -0.28 -0.01 -0.08 -0.04 1.80 1.39 3k7tA1 ARG 43 HG2 -1.32 -0.10 -0.16 -0.04 1.67 0.06 3k7tA1 ARG 43 HG3 -0.39 0.01 -0.13 -0.04 1.67 1.12 3k7tA1 ARG 43 HD2 -0.16 0.23 -0.07 -0.04 3.22 3.18 3k7tA1 ARG 43 HD3 -0.12 -0.02 -0.05 -0.04 3.22 2.98 3k7tA1 GLU 44 H -0.07 0.12 0.12 -0.55 8.60 8.22 3k7tA1 GLU 44 HA -0.05 0.12 0.59 -0.75 4.29 4.20 3k7tA1 GLU 44 HB2 -0.03 -0.02 0.09 -0.04 2.09 2.08 3k7tA1 GLU 44 HB3 -0.04 0.04 0.01 -0.04 1.99 1.96 3k7tA1 GLU 44 HG2 -0.04 0.21 0.08 -0.04 2.34 2.55 3k7tA1 GLU 44 HG3 -0.03 -0.06 -0.04 -0.04 2.34 2.17 3k7tA1 SER 45 H -0.04 0.55 0.31 -0.55 8.46 8.73 3k7tA1 SER 45 HA -0.08 -0.01 0.40 -0.75 4.49 4.04 3k7tA1 SER 45 HB2 -0.03 0.11 0.11 -0.04 3.95 4.09 3k7tA1 SER 45 HB3 -0.06 0.24 0.22 -0.04 3.93 4.29 3k7tA1 ARG 46 H -0.07 0.10 0.17 -0.55 8.46 8.10 3k7tA1 ARG 46 HA -0.05 0.14 0.49 -0.75 4.34 4.16 3k7tA1 ARG 46 HB2 -0.06 -0.02 0.16 -0.04 1.90 1.94 3k7tA1 ARG 46 HB3 -0.05 0.03 0.09 -0.04 1.80 1.83 3k7tA1 ARG 46 HG2 -0.04 0.03 0.07 -0.04 1.67 1.70 3k7tA1 ARG 46 HG3 -0.04 -0.00 0.07 -0.04 1.67 1.66 3k7tA1 ARG 46 HD2 -0.04 0.06 0.07 -0.04 3.22 3.27 3k7tA1 ARG 46 HD3 -0.04 -0.01 0.04 -0.04 3.22 3.17 3k7tA1 ASN 47 H -0.09 -0.06 -0.18 -0.55 8.53 7.66 3k7tA1 ASN 47 HA -0.09 0.17 0.55 -0.75 4.76 4.63 3k7tA1 ASN 47 HB2 -0.21 -0.05 -0.03 -0.04 2.88 2.54 3k7tA1 ASN 47 HB3 -0.41 0.02 -0.11 -0.04 2.79 2.25 3k7tA1 ASN 47 HD21 0.02 0.23 -0.12 -0.04 7.03 7.12 3k7tA1 ASN 47 HD22 -0.02 0.09 -0.14 -0.04 7.74 7.63 3k7tA1 VAL 48 H -0.14 -0.01 -0.18 -0.55 8.24 7.36 3k7tA1 VAL 48 HA -0.13 0.27 0.81 -0.75 4.13 4.32 3k7tA1 VAL 48 HB -0.08 -0.08 -0.02 -0.04 2.12 1.90 3k7tA1 VAL 48 HG13 -0.03 0.06 -0.15 -0.04 0.97 0.81 3k7tA1 VAL 48 HG23 -0.33 -0.02 -0.21 -0.04 0.95 0.35 3k7tA1 PRO 49 HA -0.03 0.05 0.58 -0.51 4.44 4.53 3k7tA1 PRO 49 HB2 -0.01 0.02 0.00 -0.04 2.28 2.25 3k7tA1 PRO 49 HB3 -0.02 0.02 0.06 -0.04 2.02 2.04 3k7tA1 PRO 49 HG2 -0.01 0.02 0.06 -0.04 2.03 2.06 3k7tA1 PRO 49 HG3 -0.03 0.08 0.01 -0.04 2.03 2.06 3k7tA1 PRO 49 HD2 -0.03 0.07 0.18 -0.04 3.68 3.86 3k7tA1 PRO 49 HD3 -0.05 0.28 0.21 -0.04 3.65 4.05 3k7tA1 GLY 50 H -0.02 0.12 0.16 -0.55 8.43 8.14 3k7tA1 GLY 50 HA2 -0.01 -0.01 0.29 -0.51 4.01 3.77 3k7tA1 GLY 50 HA3 -0.01 0.11 0.43 -0.51 4.01 4.03 3k7tA1 LEU 51 H -0.02 0.20 -0.20 -0.55 8.37 7.80 3k7tA1 LEU 51 HA 0.00 0.21 0.90 -0.75 4.35 4.72 3k7tA1 LEU 51 HB2 -0.00 0.09 -0.24 -0.04 1.64 1.45 3k7tA1 LEU 51 HB3 -0.01 -0.06 0.05 -0.04 1.64 1.57 3k7tA1 LEU 51 HG 0.05 0.01 -0.30 -0.04 1.64 1.36 3k7tA1 LEU 51 HD13 0.03 0.03 -0.02 -0.04 0.93 0.94 3k7tA1 LEU 51 HD23 0.04 -0.03 -0.15 -0.04 0.89 0.71 3k7tA1 ARG 52 H 0.01 0.24 0.03 -0.55 8.46 8.18 3k7tA1 ARG 52 HA -0.02 0.09 0.52 -0.75 4.34 4.18 3k7tA1 ARG 52 HB2 -0.01 -0.01 -0.03 -0.04 1.90 1.81 3k7tA1 ARG 52 HB3 0.01 0.03 0.09 -0.04 1.80 1.89 3k7tA1 ARG 52 HG2 0.00 -0.04 -0.41 -0.04 1.67 1.18 3k7tA1 ARG 52 HG3 -0.02 -0.01 -0.22 -0.04 1.67 1.38 3k7tA1 ARG 52 HD2 0.00 0.04 -0.14 -0.04 3.22 3.08 3k7tA1 ARG 52 HD3 -0.00 -0.01 -0.08 -0.04 3.22 3.09 3k7tA1 VAL 53 H -0.03 0.61 0.31 -0.55 8.24 8.59 3k7tA1 VAL 53 HA 0.17 0.19 0.89 -0.75 4.13 4.63 3k7tA1 VAL 53 HB -0.03 0.03 -0.12 -0.04 2.12 1.96 3k7tA1 VAL 53 HG13 0.11 0.01 -0.27 -0.04 0.97 0.79 3k7tA1 VAL 53 HG23 -0.08 -0.01 -0.12 -0.04 0.95 0.69 3k7tA1 GLU 54 H 0.30 0.21 0.05 -0.55 8.60 8.61 3k7tA1 GLU 54 HA 0.02 0.08 0.91 -0.75 4.29 4.55 3k7tA1 GLU 54 HB2 0.24 0.05 0.05 -0.04 2.09 2.40 3k7tA1 GLU 54 HB3 0.13 -0.02 -0.32 -0.04 1.99 1.74 3k7tA1 GLU 54 HG2 0.06 0.06 -0.19 -0.04 2.34 2.23 3k7tA1 GLU 54 HG3 0.04 -0.02 -0.12 -0.04 2.34 2.20 3k7tA1 ILE 55 H -0.03 0.49 0.30 -0.55 8.25 8.46 3k7tA1 ILE 55 HA 0.04 0.11 0.47 -0.75 4.18 4.05 3k7tA1 ILE 55 HB 0.03 0.02 0.11 -0.04 1.89 2.02 3k7tA1 ILE 55 HG12 -0.28 0.02 -0.10 -0.04 1.49 1.09 3k7tA1 ILE 55 HG13 -0.40 -0.02 -0.11 -0.04 1.21 0.63 3k7tA1 ILE 55 HG23 0.30 -0.01 -0.11 -0.04 0.93 1.07 3k7tA1 ILE 55 HD13 -0.09 -0.01 -0.21 -0.04 0.88 0.53 3k7tA1 GLY 56 H 0.21 0.16 0.12 -0.55 8.43 8.37 3k7tA1 GLY 56 HA2 0.19 0.11 0.67 -0.51 4.01 4.48 3k7tA1 GLY 56 HA3 0.12 0.16 0.63 -0.51 4.01 4.41 3k7tA1 GLY 57 H 0.07 0.14 0.15 -0.55 8.43 8.24 3k7tA1 GLY 57 HA2 0.20 0.17 0.58 -0.51 4.01 4.45 3k7tA1 GLY 57 HA3 0.10 0.09 0.24 -0.51 4.01 3.94 3k7tA1 ALA 58 H 0.19 0.10 0.19 -0.55 8.40 8.33 3k7tA1 ALA 58 HA 0.07 0.16 0.94 -0.75 4.34 4.76 3k7tA1 ALA 58 HB3 0.00 -0.04 0.05 -0.04 1.41 1.38 3k7tA1 TYR 59 H 0.34 -0.05 0.17 -0.55 8.29 8.20 3k7tA1 TYR 59 HA 0.11 0.12 0.27 -0.75 4.56 4.31 3k7tA1 TYR 59 HB2 0.10 0.01 0.07 -0.04 3.06 3.20 3k7tA1 TYR 59 HB3 0.09 0.05 0.06 -0.04 2.98 3.14 3k7tA1 TYR 59 HD2 0.09 -0.04 0.02 -0.04 7.15 7.18 3k7tA1 TYR 59 HE2 0.16 0.04 0.02 -0.04 6.85 7.02 3k7tA1 LEU 60 H 0.18 0.52 0.40 -0.55 8.37 8.92 3k7tA1 LEU 60 HA 0.30 0.06 0.75 -0.75 4.35 4.70 3k7tA1 LEU 60 HB2 0.14 -0.11 0.02 -0.04 1.64 1.65 3k7tA1 LEU 60 HB3 0.11 0.17 -0.40 -0.04 1.64 1.48 3k7tA1 LEU 60 HG -0.03 -0.05 -0.32 -0.04 1.64 1.19 3k7tA1 LEU 60 HD13 -0.05 -0.02 -0.31 -0.04 0.93 0.51 3k7tA1 LEU 60 HD23 -0.31 0.01 -0.35 -0.04 0.89 0.20 3k7tA1 HIS 61 H 0.45 0.20 0.16 -0.55 8.41 8.67 3k7tA1 HIS 61 HA -0.09 0.10 0.96 -0.75 4.63 4.84 3k7tA1 HIS 61 HB2 -0.26 0.27 0.05 -0.04 3.26 3.28 3k7tA1 HIS 61 HB3 -0.56 -0.12 0.16 -0.04 3.20 2.64 3k7tA1 HIS 61 HD2 -0.15 -0.43 -0.11 -0.04 6.97 6.24 3k7tA1 HIS 61 HE1 -0.17 0.10 -0.01 -0.04 7.75 7.62 3k7tA1 ARG 62 H -0.14 0.21 0.11 -0.55 8.46 8.08 3k7tA1 ARG 62 HA -0.00 0.11 0.25 -0.75 4.34 3.94 3k7tA1 ARG 62 HB2 -0.05 -0.01 0.09 -0.04 1.90 1.89 3k7tA1 ARG 62 HB3 -0.02 0.08 -0.03 -0.04 1.80 1.79 3k7tA1 ARG 62 HG2 -0.10 -0.08 -0.03 -0.04 1.67 1.42 3k7tA1 ARG 62 HG3 -0.08 0.07 -0.03 -0.04 1.67 1.59 3k7tA1 ARG 62 HD2 -0.05 -0.04 -0.05 -0.04 3.22 3.04 3k7tA1 ARG 62 HD3 -0.09 0.02 -0.10 -0.04 3.22 3.01 3k7tA1 LYS 63 H 0.20 0.06 -0.07 -0.55 8.42 8.07 3k7tA1 LYS 63 HA 0.04 0.18 0.53 -0.75 4.32 4.31 3k7tA1 LYS 63 HB2 0.04 0.07 0.04 -0.04 1.87 1.97 3k7tA1 LYS 63 HB3 0.07 -0.01 0.03 -0.04 1.79 1.84 3k7tA1 LYS 63 HG2 0.32 -0.11 0.01 -0.04 1.46 1.64 3k7tA1 LYS 63 HG3 0.13 0.07 -0.23 -0.04 1.46 1.39 3k7tA1 LYS 63 HD2 0.01 0.04 -0.05 -0.04 1.69 1.65 3k7tA1 LYS 63 HD3 0.08 -0.01 -0.02 -0.04 1.68 1.68 3k7tA1 LYS 63 HE2 0.18 -0.02 -0.04 -0.04 2.99 3.07 3k7tA1 LYS 63 HE3 -0.01 0.04 -0.07 -0.04 2.99 2.91 3k7tA1 HIS 64 H 0.12 -0.05 -0.34 -0.55 8.41 7.59 3k7tA1 HIS 64 HA -0.11 0.14 0.52 -0.75 4.63 4.42 3k7tA1 HIS 64 HB2 -0.70 -0.08 0.10 -0.04 3.26 2.54 3k7tA1 HIS 64 HB3 -1.16 -0.00 -0.04 -0.04 3.20 1.95 3k7tA1 HIS 64 HD2 -0.46 -0.10 -0.12 -0.04 6.97 6.25 3k7tA1 HIS 64 HE1 0.12 0.11 -0.06 -0.04 7.75 7.87 3k7tA1 HIS 65 H -0.17 0.46 -0.24 -0.55 8.41 7.92 3k7tA1 HIS 65 HA -0.15 0.19 0.89 -0.75 4.63 4.81 3k7tA1 HIS 65 HB2 -0.09 0.02 0.19 -0.04 3.26 3.35 3k7tA1 HIS 65 HB3 -0.14 -0.19 0.10 -0.04 3.20 2.92 3k7tA1 HIS 65 HD2 -1.25 0.14 -0.20 -0.04 6.97 5.62 3k7tA1 HIS 65 HE1 -0.05 0.11 0.03 -0.04 7.75 7.79 3k7tA1 PRO 66 HA 0.02 0.20 0.54 -0.51 4.44 4.68 3k7tA1 PRO 66 HB2 0.01 0.03 -0.03 -0.04 2.28 2.26 3k7tA1 PRO 66 HB3 0.01 0.12 0.06 -0.04 2.02 2.17 3k7tA1 PRO 66 HG2 0.02 -0.05 0.08 -0.04 2.03 2.05 3k7tA1 PRO 66 HG3 0.02 0.13 0.04 -0.04 2.03 2.19 3k7tA1 PRO 66 HD2 0.03 0.03 0.24 -0.04 3.68 3.94 3k7tA1 PRO 66 HD3 0.01 0.39 -0.23 -0.04 3.65 3.78 3k7tA1 ARG 67 H 0.03 0.17 -0.03 -0.55 8.46 8.07 3k7tA1 ARG 67 HA 0.02 0.17 0.45 -0.75 4.34 4.23 3k7tA1 ARG 67 HB2 0.02 -0.08 0.06 -0.04 1.90 1.86 3k7tA1 ARG 67 HB3 0.03 0.05 -0.04 -0.04 1.80 1.79 3k7tA1 ARG 67 HG2 0.02 0.08 -0.01 -0.04 1.67 1.73 3k7tA1 ARG 67 HG3 0.02 -0.01 0.03 -0.04 1.67 1.67 3k7tA1 ARG 67 HD2 0.03 -0.05 -0.02 -0.04 3.22 3.14 3k7tA1 ARG 67 HD3 0.03 0.05 -0.19 -0.04 3.22 3.07 3k7tA1 LEU 68 H 0.02 0.07 -0.23 -0.55 8.37 7.67 3k7tA1 LEU 68 HA -0.00 0.10 0.45 -0.75 4.35 4.15 3k7tA1 LEU 68 HB2 -0.07 -0.10 -0.00 -0.04 1.64 1.43 3k7tA1 LEU 68 HB3 0.02 0.13 0.02 -0.04 1.64 1.77 3k7tA1 LEU 68 HG -0.03 0.07 -0.22 -0.04 1.64 1.43 3k7tA1 LEU 68 HD13 0.01 -0.00 -0.04 -0.04 0.93 0.86 3k7tA1 LEU 68 HD23 -0.02 -0.02 -0.06 -0.04 0.89 0.74 3k7tA1 ALA 69 H 0.02 0.38 -0.25 -0.55 8.40 8.00 3k7tA1 ALA 69 HA -0.03 0.03 0.47 -0.75 4.34 4.06 3k7tA1 ALA 69 HB3 -0.01 0.04 0.12 -0.04 1.41 1.52 3k7tA1 ALA 70 H 0.01 0.32 -0.36 -0.55 8.40 7.82 3k7tA1 ALA 70 HA -0.01 0.07 0.53 -0.75 4.34 4.18 3k7tA1 ALA 70 HB3 0.00 0.05 0.11 -0.04 1.41 1.53 3k7tA1 GLU 71 H 0.04 0.32 -0.26 -0.55 8.60 8.16 3k7tA1 GLU 71 HA 0.02 0.11 0.57 -0.75 4.29 4.24 3k7tA1 GLU 71 HB2 0.13 0.07 0.11 -0.04 2.09 2.36 3k7tA1 GLU 71 HB3 0.28 -0.03 0.04 -0.04 1.99 2.24 3k7tA1 GLU 71 HG2 0.07 0.28 0.09 -0.04 2.34 2.74 3k7tA1 GLU 71 HG3 0.14 -0.09 -0.01 -0.04 2.34 2.34 3k7tA1 LEU 72 H 0.04 0.35 -0.21 -0.55 8.37 8.00 3k7tA1 LEU 72 HA 0.11 -0.02 0.54 -0.75 4.35 4.23 3k7tA1 LEU 72 HB2 -0.03 0.07 0.12 -0.04 1.64 1.75 3k7tA1 LEU 72 HB3 -0.05 0.21 0.02 -0.04 1.64 1.79 3k7tA1 LEU 72 HG -0.02 0.06 0.01 -0.04 1.64 1.66 3k7tA1 LEU 72 HD13 -0.20 -0.04 -0.17 -0.04 0.93 0.48 3k7tA1 LEU 72 HD23 -0.29 -0.01 -0.11 -0.04 0.89 0.44 3k7tA1 ASP 73 H -0.00 0.37 -0.28 -0.55 8.40 7.94 3k7tA1 ASP 73 HA -0.01 0.06 0.47 -0.75 4.63 4.40 3k7tA1 ASP 73 HB2 -0.02 0.15 0.14 -0.04 2.71 2.95 3k7tA1 ASP 73 HB3 -0.02 0.06 0.03 -0.04 2.70 2.72 3k7tA1 ARG 74 H -0.05 0.19 -0.39 -0.55 8.46 7.67 3k7tA1 ARG 74 HA -0.11 0.07 0.47 -0.75 4.34 4.02 3k7tA1 ARG 74 HB2 -0.16 0.10 0.14 -0.04 1.90 1.94 3k7tA1 ARG 74 HB3 -0.36 -0.02 0.19 -0.04 1.80 1.57 3k7tA1 ARG 74 HG2 -0.61 0.02 -0.24 -0.04 1.67 0.80 3k7tA1 ARG 74 HG3 -0.22 -0.02 0.00 -0.04 1.67 1.39 3k7tA1 ARG 74 HD2 -0.19 -0.02 -0.02 -0.04 3.22 2.95 3k7tA1 ARG 74 HD3 -0.53 -0.03 -0.02 -0.04 3.22 2.60 3k7tA1 TYR 75 H -0.00 0.38 -0.05 -0.55 8.29 8.06 3k7tA1 TYR 75 HA 0.03 0.14 0.49 -0.75 4.56 4.47 3k7tA1 TYR 75 HB2 0.06 -0.01 0.04 -0.04 3.06 3.11 3k7tA1 TYR 75 HB3 0.05 -0.02 0.04 -0.04 2.98 3.02 3k7tA1 TYR 75 HD2 0.06 0.08 0.02 -0.04 7.15 7.26 3k7tA1 TYR 75 HE2 0.06 -0.00 -0.05 -0.04 6.85 6.81 3k7tA1 GLY 76 H 0.07 0.15 -0.57 -0.55 8.43 7.53 3k7tA1 GLY 76 HA2 0.03 0.05 0.18 -0.51 4.01 3.76 3k7tA1 GLY 76 HA3 0.05 0.06 0.44 -0.51 4.01 4.05 3k7tA1 ILE 77 H 0.10 0.23 0.03 -0.55 8.25 8.05 3k7tA1 ILE 77 HA 0.07 0.14 0.61 -0.75 4.18 4.25 3k7tA1 ILE 77 HB 0.10 -0.07 0.09 -0.04 1.89 1.97 3k7tA1 ILE 77 HG12 0.20 -0.00 -0.12 -0.04 1.49 1.52 3k7tA1 ILE 77 HG13 0.20 -0.10 -0.15 -0.04 1.21 1.12 3k7tA1 ILE 77 HG23 0.17 -0.01 -0.11 -0.04 0.93 0.94 3k7tA1 ILE 77 HD13 0.10 0.03 -0.27 -0.04 0.88 0.70 3k7tA1 PRO 78 HA -0.03 0.10 0.43 -0.51 4.44 4.43 3k7tA1 PRO 78 HB2 -0.02 -0.01 -0.07 -0.04 2.28 2.14 3k7tA1 PRO 78 HB3 -0.01 0.08 0.04 -0.04 2.02 2.09 3k7tA1 PRO 78 HG2 0.01 -0.10 0.06 -0.04 2.03 1.95 3k7tA1 PRO 78 HG3 0.01 0.09 0.06 -0.04 2.03 2.15 3k7tA1 PRO 78 HD2 0.04 -0.05 0.21 -0.04 3.68 3.85 3k7tA1 PRO 78 HD3 0.03 0.44 0.33 -0.04 3.65 4.40 3k7tA1 THR 79 H -0.07 0.24 0.16 -0.55 8.28 8.06 3k7tA1 THR 79 HA -0.12 0.10 1.01 -0.75 4.39 4.63 3k7tA1 THR 79 HB -0.16 0.01 -0.10 -0.04 4.32 4.03 3k7tA1 THR 79 HG23 -0.35 0.01 -0.26 -0.04 1.22 0.58 3k7tA1 ALA 80 H -0.08 0.29 0.17 -0.55 8.40 8.23 3k7tA1 ALA 80 HA -0.06 0.17 0.91 -0.75 4.34 4.60 3k7tA1 ALA 80 HB3 -0.05 0.02 0.01 -0.04 1.41 1.35 3k7tA1 ALA 81 H -0.05 0.11 0.15 -0.55 8.40 8.06 3k7tA1 ALA 81 HA -0.07 0.08 0.60 -0.75 4.34 4.20 3k7tA1 ALA 81 HB3 -0.05 0.02 0.12 -0.04 1.41 1.45 3k7tA1 ALA 82 H -0.03 0.73 0.34 -0.55 8.40 8.89 3k7tA1 ALA 82 HA -0.00 -0.07 0.31 -0.75 4.34 3.83 3k7tA1 ALA 82 HB3 0.11 0.01 -0.15 -0.04 1.41 1.34 3k7tA1 SER 83 H -0.02 0.03 0.13 -0.55 8.46 8.06 3k7tA1 SER 83 HA -0.10 0.03 0.41 -0.75 4.49 4.08 3k7tA1 SER 83 HB2 -0.16 0.03 0.06 -0.04 3.95 3.84 3k7tA1 SER 83 HB3 -0.09 -0.02 0.12 -0.04 3.93 3.90 3k7tA1 GLU 84 H -0.14 0.06 0.17 -0.55 8.60 8.14 3k7tA1 GLU 84 HA -0.27 0.28 1.03 -0.75 4.29 4.57 3k7tA1 GLU 84 HB2 -0.06 0.01 0.07 -0.04 2.09 2.08 3k7tA1 GLU 84 HB3 -0.03 0.00 -0.03 -0.04 1.99 1.89 3k7tA1 GLU 84 HG2 0.07 0.01 0.10 -0.04 2.34 2.49 3k7tA1 GLU 84 HG3 -0.00 0.07 0.11 -0.04 2.34 2.48 3k7tA1 PHE 85 H 0.09 0.17 0.14 -0.55 8.34 8.18 3k7tA1 PHE 85 HA -0.08 0.08 0.90 -0.75 4.62 4.76 3k7tA1 PHE 85 HB2 0.10 -0.04 0.04 -0.04 3.15 3.21 3k7tA1 PHE 85 HB3 -0.38 0.14 -0.13 -0.04 3.06 2.64 3k7tA1 PHE 85 HD2 0.02 -0.06 -0.22 -0.04 7.28 6.98 3k7tA1 PHE 85 HE2 0.03 -0.03 -0.01 -0.04 7.38 7.33 3k7tA1 PHE 85 HZ -0.08 0.04 -0.04 -0.04 7.32 7.19 3k7tA1 THR 86 H -0.05 0.33 0.37 -0.55 8.28 8.38 3k7tA1 THR 86 HA 0.10 0.15 0.96 -0.75 4.39 4.85 3k7tA1 THR 86 HB 0.03 -0.03 0.02 -0.04 4.32 4.29 3k7tA1 THR 86 HG23 0.03 -0.01 -0.14 -0.04 1.22 1.05 3k7tA1 SER 87 H -0.16 0.38 0.23 -0.55 8.46 8.36 3k7tA1 SER 87 HA -0.05 0.14 0.75 -0.75 4.49 4.58 3k7tA1 SER 87 HB2 -0.04 0.01 -0.05 -0.04 3.95 3.84 3k7tA1 SER 87 HB3 -0.08 -0.08 -0.18 -0.04 3.93 3.55 3k7tA1 PHE 88 H 0.06 0.26 0.15 -0.55 8.34 8.26 3k7tA1 PHE 88 HA -0.13 0.14 0.90 -0.75 4.62 4.78 3k7tA1 PHE 88 HB2 -0.08 0.15 -0.23 -0.04 3.15 2.94 3k7tA1 PHE 88 HB3 -0.44 -0.02 -0.17 -0.04 3.06 2.39 3k7tA1 PHE 88 HD2 0.09 0.08 -0.15 -0.04 7.28 7.26 3k7tA1 PHE 88 HE2 0.12 0.04 -0.14 -0.04 7.38 7.36 3k7tA1 PHE 88 HZ 0.18 0.05 -0.13 -0.04 7.32 7.39 3k7tA1 ARG 89 H -0.12 0.50 0.06 -0.55 8.46 8.35 3k7tA1 ARG 89 HA -0.03 0.17 0.84 -0.75 4.34 4.57 3k7tA1 ARG 89 HB2 0.04 -0.07 0.02 -0.04 1.90 1.85 3k7tA1 ARG 89 HB3 0.06 0.18 0.14 -0.04 1.80 2.14 3k7tA1 ARG 89 HG2 0.00 -0.06 -0.52 -0.04 1.67 1.05 3k7tA1 ARG 89 HG3 0.02 -0.06 -0.11 -0.04 1.67 1.47 3k7tA1 ARG 89 HD2 0.01 0.06 0.11 -0.04 3.22 3.36 3k7tA1 ARG 89 HD3 0.01 -0.06 0.01 -0.04 3.22 3.15 3k7tA1 HIS 90 H -0.20 0.10 -0.00 -0.55 8.41 7.76 3k7tA1 HIS 90 HA 0.23 0.01 0.46 -0.75 4.63 4.58 3k7tA1 HIS 90 HB2 0.09 -0.02 -0.00 -0.04 3.26 3.29 3k7tA1 HIS 90 HB3 0.15 0.22 0.19 -0.04 3.20 3.72 3k7tA1 HIS 90 HD2 0.01 0.10 0.11 -0.04 6.97 7.14 3k7tA1 HIS 90 HE1 0.37 -0.01 -0.08 -0.04 7.75 7.99 3k7tA1 ARG 91 H 0.34 0.17 -0.03 -0.55 8.46 8.39 3k7tA1 ARG 91 HA 0.05 0.26 0.75 -0.75 4.34 4.64 3k7tA1 ARG 91 HB2 0.10 -0.21 0.16 -0.04 1.90 1.91 3k7tA1 ARG 91 HB3 -0.09 -0.02 0.21 -0.04 1.80 1.86 3k7tA1 ARG 91 HG2 0.01 0.04 -0.43 -0.04 1.67 1.25 3k7tA1 ARG 91 HG3 -0.70 0.02 -0.08 -0.04 1.67 0.87 3k7tA1 ARG 91 HD2 -0.18 -0.08 0.08 -0.04 3.22 3.01 3k7tA1 ARG 91 HD3 -0.18 0.09 0.01 -0.04 3.22 3.10 3k7tA1 LEU 92 H 0.14 0.22 -0.17 -0.55 8.37 8.02 3k7tA1 LEU 92 HA 0.11 0.16 0.64 -0.75 4.35 4.50 3k7tA1 LEU 92 HB2 0.06 0.02 0.14 -0.04 1.64 1.82 3k7tA1 LEU 92 HB3 0.07 -0.04 0.21 -0.04 1.64 1.83 3k7tA1 LEU 92 HG 0.17 -0.01 0.12 -0.04 1.64 1.87 3k7tA1 LEU 92 HD13 0.06 0.00 0.06 -0.04 0.93 1.01 3k7tA1 LEU 92 HD23 0.17 0.00 -0.19 -0.04 0.89 0.83 3k7tA1 GLY 93 H 0.05 0.22 -0.48 -0.55 8.43 7.67 3k7tA1 GLY 93 HA2 0.03 0.07 0.28 -0.51 4.01 3.88 3k7tA1 GLY 93 HA3 0.03 0.07 0.62 -0.51 4.01 4.21 3k7tA1 PRO 94 HA 0.00 0.21 0.56 -0.51 4.44 4.71 3k7tA1 PRO 94 HB2 0.00 0.05 0.02 -0.04 2.28 2.30 3k7tA1 PRO 94 HB3 -0.00 0.05 0.09 -0.04 2.02 2.12 3k7tA1 PRO 94 HG2 0.00 0.02 0.06 -0.04 2.03 2.08 3k7tA1 PRO 94 HG3 0.00 0.06 0.08 -0.04 2.03 2.13 3k7tA1 PRO 94 HD2 0.01 0.05 0.22 -0.04 3.68 3.93 3k7tA1 PRO 94 HD3 0.01 0.13 0.20 -0.04 3.65 3.95 3k7tA1 THR 95 H 0.00 0.08 -0.07 -0.55 8.28 7.74 3k7tA1 THR 95 HA -0.00 0.20 0.64 -0.75 4.39 4.48 3k7tA1 THR 95 HB -0.00 0.01 0.06 -0.04 4.32 4.34 3k7tA1 THR 95 HG23 -0.00 -0.01 -0.01 -0.04 1.22 1.16 3k7tA1 ALA 96 H 0.01 0.13 -0.51 -0.55 8.40 7.48 3k7tA1 ALA 96 HA -0.04 0.09 0.66 -0.75 4.34 4.29 3k7tA1 ALA 96 HB3 0.00 0.05 -0.04 -0.04 1.41 1.39 3k7tA1 VAL 97 H -0.04 0.27 0.16 -0.55 8.24 8.08 3k7tA1 VAL 97 HA 0.01 0.13 0.69 -0.75 4.13 4.21 3k7tA1 VAL 97 HB -0.02 -0.01 0.01 -0.04 2.12 2.06 3k7tA1 VAL 97 HG13 -0.05 -0.00 -0.16 -0.04 0.97 0.72 3k7tA1 VAL 97 HG23 -0.00 0.00 -0.11 -0.04 0.95 0.80 3k7tA1 ASP 98 H 0.03 0.17 0.08 -0.55 8.40 8.12 3k7tA1 ASP 98 HA 0.14 0.11 0.68 -0.75 4.63 4.80 3k7tA1 ASP 98 HB2 0.03 -0.03 0.23 -0.04 2.71 2.90 3k7tA1 ASP 98 HB3 0.02 0.18 0.14 -0.04 2.70 3.00 3k7tA1 GLN 99 H -0.00 0.41 -0.03 -0.55 8.47 8.30 3k7tA1 GLN 99 HA -0.72 0.17 0.35 -0.75 4.36 3.40 3k7tA1 GLN 99 HB2 -0.23 -0.14 0.13 -0.04 2.15 1.87 3k7tA1 GLN 99 HB3 -0.09 0.14 -0.05 -0.04 2.02 1.98 3k7tA1 GLN 99 HG2 -0.05 -0.00 -0.23 -0.04 2.40 2.08 3k7tA1 GLN 99 HG3 -0.10 0.05 -0.39 -0.04 2.39 1.91 3k7tA1 GLN 99 HE21 0.03 -0.05 0.01 -0.04 6.97 6.93 3k7tA1 GLN 99 HE22 -0.01 0.04 -0.05 -0.04 7.69 7.63 3k7tA1 ALA 100 H -0.63 0.16 0.06 -0.55 8.40 7.45 3k7tA1 ALA 100 HA -0.34 0.08 0.34 -0.75 4.34 3.66 3k7tA1 ALA 100 HB3 0.00 0.01 0.08 -0.04 1.41 1.46 3k7tA1 PHE 101 H -0.02 0.07 -0.23 -0.55 8.34 7.61 3k7tA1 PHE 101 HA -0.27 0.24 0.90 -0.75 4.62 4.73 3k7tA1 PHE 101 HB2 -0.10 -0.01 -0.02 -0.04 3.15 2.98 3k7tA1 PHE 101 HB3 -0.12 0.00 0.16 -0.04 3.06 3.06 3k7tA1 PHE 101 HD2 -0.10 0.08 0.03 -0.04 7.28 7.25 3k7tA1 PHE 101 HE2 0.01 0.00 -0.02 -0.04 7.38 7.33 3k7tA1 PHE 101 HZ 0.00 -0.02 -0.03 -0.04 7.32 7.23 3k7tA1 PRO 102 HA -0.17 0.19 0.32 -0.51 4.44 4.27 3k7tA1 PRO 102 HB2 -0.26 -0.08 0.10 -0.04 2.28 2.00 3k7tA1 PRO 102 HB3 -0.23 0.08 0.16 -0.04 2.02 1.99 3k7tA1 PRO 102 HG2 -1.04 -0.04 -0.01 -0.04 2.03 0.90 3k7tA1 PRO 102 HG3 -0.72 0.07 0.08 -0.04 2.03 1.42 3k7tA1 PRO 102 HD2 -1.26 0.03 0.18 -0.04 3.68 2.59 3k7tA1 PRO 102 HD3 -0.45 0.38 0.00 -0.04 3.65 3.54 3k7tA1 ILE 103 H -0.82 0.06 -0.64 -0.55 8.25 6.30 3k7tA1 ILE 103 HA -0.29 0.04 0.46 -0.75 4.18 3.64 3k7tA1 ILE 103 HB -0.48 0.02 0.02 -0.04 1.89 1.41 3k7tA1 ILE 103 HG12 -1.71 -0.01 -0.05 -0.04 1.49 -0.32 3k7tA1 ILE 103 HG13 -0.74 0.01 -0.04 -0.04 1.21 0.40 3k7tA1 ILE 103 HG23 -0.11 0.02 -0.11 -0.04 0.93 0.69 3k7tA1 ILE 103 HD13 -0.41 -0.01 -0.19 -0.04 0.88 0.23 3k7tA1 PRO 104 HA -0.04 0.17 0.57 -0.51 4.44 4.63 3k7tA1 PRO 104 HB2 -0.02 -0.19 0.14 -0.04 2.28 2.17 3k7tA1 PRO 104 HB3 -0.03 0.34 0.23 -0.04 2.02 2.52 3k7tA1 PRO 104 HG2 -0.03 -0.19 0.07 -0.04 2.03 1.84 3k7tA1 PRO 104 HG3 -0.03 0.12 0.05 -0.04 2.03 2.12 3k7tA1 PRO 104 HD2 -0.10 -0.05 0.24 -0.04 3.68 3.72 3k7tA1 PRO 104 HD3 -0.10 0.35 0.32 -0.04 3.65 4.18 3k7tA1 GLY 105 H -0.01 0.22 0.20 -0.55 8.43 8.29 3k7tA1 GLY 105 HA2 0.01 0.13 0.42 -0.51 4.01 4.05 3k7tA1 GLY 105 HA3 0.00 0.10 0.36 -0.51 4.01 3.96 3k7tA1 SER 106 H -0.01 0.09 -0.24 -0.55 8.46 7.76 3k7tA1 SER 106 HA 0.00 0.16 0.55 -0.75 4.49 4.45 3k7tA1 SER 106 HB2 -0.01 -0.01 0.04 -0.04 3.95 3.93 3k7tA1 SER 106 HB3 -0.00 0.05 0.06 -0.04 3.93 4.00 3k7tA1 GLU 107 H -0.01 0.29 -0.25 -0.55 8.60 8.08 3k7tA1 GLU 107 HA 0.00 0.16 0.64 -0.75 4.29 4.34 3k7tA1 GLU 107 HB2 -0.03 0.16 0.02 -0.04 2.09 2.20 3k7tA1 GLU 107 HB3 -0.00 -0.03 0.11 -0.04 1.99 2.02 3k7tA1 GLU 107 HG2 -0.01 0.05 -0.05 -0.04 2.34 2.29 3k7tA1 GLU 107 HG3 -0.02 -0.01 -0.01 -0.04 2.34 2.26 3k7tA1 ALA 108 H 0.01 0.25 -0.43 -0.55 8.40 7.68 3k7tA1 ALA 108 HA 0.05 0.03 0.24 -0.75 4.34 3.91 3k7tA1 ALA 108 HB3 0.03 0.05 0.07 -0.04 1.41 1.51 3k7tA1 VAL 109 H 0.02 0.19 -0.30 -0.55 8.24 7.59 3k7tA1 VAL 109 HA 0.02 0.10 0.48 -0.75 4.13 3.97 3k7tA1 VAL 109 HB 0.01 0.02 0.08 -0.04 2.12 2.19 3k7tA1 VAL 109 HG13 0.00 0.01 -0.03 -0.04 0.97 0.91 3k7tA1 VAL 109 HG23 0.01 0.02 0.03 -0.04 0.95 0.96 3k7tA1 ALA 110 H 0.02 0.18 -0.06 -0.55 8.40 7.99 3k7tA1 ALA 110 HA 0.02 0.10 0.48 -0.75 4.34 4.19 3k7tA1 ALA 110 HB3 0.02 0.04 0.14 -0.04 1.41 1.56 3k7tA1 VAL 111 H 0.04 0.54 -0.09 -0.55 8.24 8.18 3k7tA1 VAL 111 HA 0.07 0.06 0.51 -0.75 4.13 4.01 3k7tA1 VAL 111 HB 0.09 0.08 0.03 -0.04 2.12 2.28 3k7tA1 VAL 111 HG13 0.18 -0.00 -0.11 -0.04 0.97 1.00 3k7tA1 VAL 111 HG23 0.04 0.04 -0.04 -0.04 0.95 0.95 3k7tA1 GLU 112 H 0.05 0.46 -0.15 -0.55 8.60 8.41 3k7tA1 GLU 112 HA 0.06 0.00 0.46 -0.75 4.29 4.05 3k7tA1 GLU 112 HB2 0.03 0.04 0.18 -0.04 2.09 2.30 3k7tA1 GLU 112 HB3 0.03 0.18 0.23 -0.04 1.99 2.39 3k7tA1 GLU 112 HG2 0.02 -0.04 -0.14 -0.04 2.34 2.14 3k7tA1 GLU 112 HG3 0.01 -0.03 0.04 -0.04 2.34 2.32 3k7tA1 ALA 113 H 0.04 0.39 -0.22 -0.55 8.40 8.06 3k7tA1 ALA 113 HA 0.06 0.04 0.53 -0.75 4.34 4.22 3k7tA1 ALA 113 HB3 0.03 0.04 0.11 -0.04 1.41 1.55 3k7tA1 ALA 114 H 0.06 0.42 -0.20 -0.55 8.40 8.14 3k7tA1 ALA 114 HA 0.05 0.06 0.58 -0.75 4.34 4.28 3k7tA1 ALA 114 HB3 0.05 0.03 0.11 -0.04 1.41 1.55 3k7tA1 THR 115 H 0.09 0.60 -0.13 -0.55 8.28 8.29 3k7tA1 THR 115 HA 0.08 -0.01 0.46 -0.75 4.39 4.16 3k7tA1 THR 115 HB 0.09 0.15 0.12 -0.04 4.32 4.64 3k7tA1 THR 115 HG23 0.07 -0.03 -0.01 -0.04 1.22 1.21 3k7tA1 TYR 116 H 0.19 0.37 -0.28 -0.55 8.29 8.02 3k7tA1 TYR 116 HA 0.03 0.03 0.49 -0.75 4.56 4.36 3k7tA1 TYR 116 HB2 0.01 0.02 0.12 -0.04 3.06 3.17 3k7tA1 TYR 116 HB3 0.01 0.20 0.16 -0.04 2.98 3.31 3k7tA1 TYR 116 HD2 -0.00 0.03 -0.01 -0.04 7.15 7.13 3k7tA1 TYR 116 HE2 -0.02 0.01 -0.02 -0.04 6.85 6.78 3k7tA1 THR 117 H 0.10 0.35 -0.17 -0.55 8.28 8.01 3k7tA1 THR 117 HA -0.16 0.03 0.40 -0.75 4.39 3.90 3k7tA1 THR 117 HB 0.01 0.07 0.10 -0.04 4.32 4.45 3k7tA1 THR 117 HG23 -0.01 -0.01 -0.02 -0.04 1.22 1.15 3k7tA1 LEU 118 H 0.05 0.58 -0.14 -0.55 8.37 8.31 3k7tA1 LEU 118 HA 0.14 0.05 0.49 -0.75 4.35 4.27 3k7tA1 LEU 118 HB2 0.08 0.07 0.13 -0.04 1.64 1.87 3k7tA1 LEU 118 HB3 0.09 -0.06 -0.02 -0.04 1.64 1.61 3k7tA1 LEU 118 HG 0.08 0.08 0.03 -0.04 1.64 1.79 3k7tA1 LEU 118 HD13 0.09 -0.02 -0.08 -0.04 0.93 0.87 3k7tA1 LEU 118 HD23 0.23 -0.01 -0.04 -0.04 0.89 1.03 3k7tA1 LEU 119 H 0.03 0.51 -0.18 -0.55 8.37 8.19 3k7tA1 LEU 119 HA 0.12 0.02 0.47 -0.75 4.35 4.21 3k7tA1 LEU 119 HB2 0.06 0.19 0.24 -0.04 1.64 2.09 3k7tA1 LEU 119 HB3 0.13 -0.00 -0.04 -0.04 1.64 1.69 3k7tA1 LEU 119 HG 0.11 -0.02 0.00 -0.04 1.64 1.69 3k7tA1 LEU 119 HD13 0.24 0.02 -0.05 -0.04 0.93 1.09 3k7tA1 LEU 119 HD23 0.08 -0.01 -0.02 -0.04 0.89 0.90 3k7tA1 ARG 120 H -0.19 0.73 -0.01 -0.55 8.46 8.44 3k7tA1 ARG 120 HA -0.10 0.02 0.37 -0.75 4.34 3.88 3k7tA1 ARG 120 HB2 -0.72 0.05 0.12 -0.04 1.90 1.31 3k7tA1 ARG 120 HB3 -0.33 0.05 0.12 -0.04 1.80 1.60 3k7tA1 ARG 120 HG2 -0.10 -0.01 -0.17 -0.04 1.67 1.35 3k7tA1 ARG 120 HG3 -0.18 -0.03 0.00 -0.04 1.67 1.43 3k7tA1 ARG 120 HD2 -0.05 -0.03 -0.05 -0.04 3.22 3.05 3k7tA1 ARG 120 HD3 -0.31 -0.01 -0.04 -0.04 3.22 2.82 3k7tA1 ASP 121 H -0.01 0.41 -0.27 -0.55 8.40 7.98 3k7tA1 ASP 121 HA 0.02 0.05 0.46 -0.75 4.63 4.40 3k7tA1 ASP 121 HB2 0.09 0.11 0.08 -0.04 2.71 2.95 3k7tA1 ASP 121 HB3 0.04 -0.08 -0.00 -0.04 2.70 2.62 3k7tA1 ALA 122 H 0.06 0.31 -0.36 -0.55 8.40 7.86 3k7tA1 ALA 122 HA 0.01 0.03 0.60 -0.75 4.34 4.23 3k7tA1 ALA 122 HB3 0.03 0.00 0.11 -0.04 1.41 1.51 3k7tA1 HIS 123 H 0.16 0.55 -0.11 -0.55 8.41 8.47 3k7tA1 HIS 123 HA -0.12 0.06 0.44 -0.75 4.63 4.26 3k7tA1 HIS 123 HB2 -0.10 0.07 0.12 -0.04 3.26 3.32 3k7tA1 HIS 123 HB3 -0.17 -0.06 -0.00 -0.04 3.20 2.94 3k7tA1 HIS 123 HD2 -0.03 0.05 -0.12 -0.04 6.97 6.82 3k7tA1 HIS 123 HE1 -0.31 -0.03 -0.01 -0.04 7.75 7.35 3k7tA1 ARG 124 H 0.07 0.18 -0.59 -0.55 8.46 7.57 3k7tA1 ARG 124 HA 0.03 0.02 0.48 -0.75 4.34 4.12 3k7tA1 ARG 124 HB2 0.03 0.22 0.04 -0.04 1.90 2.15 3k7tA1 ARG 124 HB3 0.02 -0.06 -0.03 -0.04 1.80 1.69 3k7tA1 ARG 124 HG2 0.01 -0.06 0.02 -0.04 1.67 1.59 3k7tA1 ARG 124 HG3 0.02 0.20 0.05 -0.04 1.67 1.90 3k7tA1 ARG 124 HD2 0.01 -0.06 -0.04 -0.04 3.22 3.09 3k7tA1 ARG 124 HD3 0.02 0.01 0.06 -0.04 3.22 3.27 3k7tA1 ILE 125 H 0.07 0.31 -0.36 -0.55 8.25 7.72 3k7tA1 ILE 125 HA 0.03 -0.03 0.41 -0.75 4.18 3.83 3k7tA1 ILE 125 HB -0.01 0.13 0.07 -0.04 1.89 2.04 3k7tA1 ILE 125 HG12 0.00 -0.09 -0.07 -0.04 1.49 1.29 3k7tA1 ILE 125 HG13 0.01 0.07 0.04 -0.04 1.21 1.29 3k7tA1 ILE 125 HG23 -0.02 -0.03 -0.23 -0.04 0.93 0.61 3k7tA1 ILE 125 HD13 -0.05 -0.00 -0.13 -0.04 0.88 0.67 3k7tA1 ASP 126 H 0.03 0.12 0.13 -0.55 8.40 8.13 3k7tA1 ASP 126 HA 0.06 0.19 0.84 -0.75 4.63 4.97 3k7tA1 ASP 126 HB2 0.03 0.15 0.03 -0.04 2.71 2.89 3k7tA1 ASP 126 HB3 0.02 -0.08 0.11 -0.04 2.70 2.70 3k7tA1 LEU 127 H -0.03 0.20 0.09 -0.55 8.37 8.09 3k7tA1 LEU 127 HA -0.06 0.16 0.28 -0.75 4.35 3.99 3k7tA1 LEU 127 HB2 -0.12 -0.09 0.06 -0.04 1.64 1.46 3k7tA1 LEU 127 HB3 -0.14 0.02 -0.07 -0.04 1.64 1.41 3k7tA1 LEU 127 HG -0.25 -0.01 -0.04 -0.04 1.64 1.30 3k7tA1 LEU 127 HD13 -0.41 0.04 0.09 -0.04 0.93 0.61 3k7tA1 LEU 127 HD23 -0.30 0.04 -0.12 -0.04 0.89 0.48 3k7tA1 GLU 128 H -0.02 0.00 -0.12 -0.55 8.60 7.92 3k7tA1 GLU 128 HA -0.01 0.09 0.47 -0.75 4.29 4.08 3k7tA1 GLU 128 HB2 -0.00 -0.05 0.04 -0.04 2.09 2.04 3k7tA1 GLU 128 HB3 -0.00 0.03 0.01 -0.04 1.99 1.98 3k7tA1 GLU 128 HG2 -0.01 0.02 0.02 -0.04 2.34 2.32 3k7tA1 GLU 128 HG3 -0.02 -0.05 0.02 -0.04 2.34 2.25 3k7tA1 LYS 129 H 0.01 -0.00 -0.43 -0.55 8.42 7.44 3k7tA1 LYS 129 HA 0.01 0.12 0.60 -0.75 4.32 4.29 3k7tA1 LYS 129 HB2 0.02 0.12 0.08 -0.04 1.87 2.05 3k7tA1 LYS 129 HB3 0.02 -0.23 0.20 -0.04 1.79 1.74 3k7tA1 LYS 129 HG2 0.01 0.03 -0.01 -0.04 1.46 1.45 3k7tA1 LYS 129 HG3 0.01 -0.08 -0.06 -0.04 1.46 1.29 3k7tA1 LYS 129 HD2 0.02 0.02 0.02 -0.04 1.69 1.71 3k7tA1 LYS 129 HD3 0.02 0.03 0.01 -0.04 1.68 1.70 3k7tA1 LYS 129 HE2 0.01 -0.01 0.00 -0.04 2.99 2.95 3k7tA1 LYS 129 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.93 3k7tA1 GLY 130 H 0.04 0.10 0.16 -0.55 8.43 8.19 3k7tA1 GLY 130 HA2 0.16 0.35 0.82 -0.51 4.01 4.82 3k7tA1 GLY 130 HA3 0.08 -0.13 0.35 -0.51 4.01 3.80 3k7tA1 LEU 131 H 0.38 0.20 0.09 -0.55 8.37 8.48 3k7tA1 LEU 131 HA 0.06 0.15 0.53 -0.75 4.35 4.33 3k7tA1 LEU 131 HB2 -0.14 0.05 0.03 -0.04 1.64 1.53 3k7tA1 LEU 131 HB3 0.04 -0.04 0.00 -0.04 1.64 1.61 3k7tA1 LEU 131 HG -0.05 0.04 -0.07 -0.04 1.64 1.52 3k7tA1 LEU 131 HD13 -0.11 -0.01 -0.07 -0.04 0.93 0.69 3k7tA1 LEU 131 HD23 0.03 0.00 -0.09 -0.04 0.89 0.80 3k7tA1 GLU 132 H 0.08 -0.17 -0.61 -0.55 8.60 7.35 3k7tA1 GLU 132 HA 0.05 0.39 0.86 -0.75 4.29 4.83 3k7tA1 GLU 132 HB2 0.03 0.21 -0.06 -0.04 2.09 2.24 3k7tA1 GLU 132 HB3 0.06 0.01 -0.57 -0.04 1.99 1.45 3k7tA1 GLU 132 HG2 0.05 -0.23 -0.00 -0.04 2.34 2.12 3k7tA1 GLU 132 HG3 0.03 0.09 -0.14 -0.04 2.34 2.27 3k7tA1 ASN 133 H 0.04 0.07 -0.07 -0.55 8.53 8.03 3k7tA1 ASN 133 HA 0.02 0.25 0.76 -0.75 4.76 5.03 3k7tA1 ASN 133 HB2 0.02 -0.05 0.12 -0.04 2.88 2.94 3k7tA1 ASN 133 HB3 0.02 0.07 0.19 -0.04 2.79 3.03 3k7tA1 ASN 133 HD21 0.01 0.01 -0.07 -0.04 7.03 6.94 3k7tA1 ASN 133 HD22 0.01 0.10 -0.08 -0.04 7.74 7.74 3k7tA1 GLN 134 H 0.03 0.06 -0.32 -0.55 8.47 7.69 3k7tA1 GLN 134 HA 0.02 0.28 0.90 -0.75 4.36 4.80 3k7tA1 GLN 134 HB2 0.03 -0.03 -0.01 -0.04 2.15 2.10 3k7tA1 GLN 134 HB3 0.02 0.12 0.12 -0.04 2.02 2.24 3k7tA1 GLN 134 HG2 0.02 0.07 -0.06 -0.04 2.40 2.39 3k7tA1 GLN 134 HG3 0.03 -0.08 -0.11 -0.04 2.39 2.19 3k7tA1 GLN 134 HE21 0.03 0.24 0.10 -0.04 6.97 7.30 3k7tA1 GLN 134 HE22 0.04 0.09 -0.00 -0.04 7.69 7.77 3k7tA1 ASP 135 H 0.02 0.15 -0.18 -0.55 8.40 7.84 3k7tA1 ASP 135 HA 0.02 0.03 0.29 -0.75 4.63 4.21 3k7tA1 ASP 135 HB2 0.02 0.21 -0.01 -0.04 2.71 2.88 3k7tA1 ASP 135 HB3 0.02 -0.05 0.19 -0.04 2.70 2.82 3k7tA1 LEU 136 H 0.03 0.13 -0.23 -0.55 8.37 7.75 3k7tA1 LEU 136 HA 0.02 0.23 0.66 -0.75 4.35 4.50 3k7tA1 LEU 136 HB2 0.03 0.09 -0.00 -0.04 1.64 1.72 3k7tA1 LEU 136 HB3 0.02 -0.05 0.10 -0.04 1.64 1.66 3k7tA1 LEU 136 HG 0.02 0.01 -0.41 -0.04 1.64 1.22 3k7tA1 LEU 136 HD13 0.03 -0.01 -0.08 -0.04 0.93 0.83 3k7tA1 LEU 136 HD23 0.02 0.04 -0.16 -0.04 0.89 0.74 3k7tA1 GLU 137 H 0.02 0.21 -0.45 -0.55 8.60 7.84 3k7tA1 GLU 137 HA 0.02 0.11 0.51 -0.75 4.29 4.18 3k7tA1 GLU 137 HB2 0.02 0.03 -0.01 -0.04 2.09 2.09 3k7tA1 GLU 137 HB3 0.02 0.05 0.03 -0.04 1.99 2.05 3k7tA1 GLU 137 HG2 0.02 0.06 -0.00 -0.04 2.34 2.38 3k7tA1 GLU 137 HG3 0.03 0.04 -0.02 -0.04 2.34 2.35 3k7tA1 ASP 138 H 0.02 0.18 -0.15 -0.55 8.40 7.90 3k7tA1 ASP 138 HA 0.03 0.13 0.41 -0.75 4.63 4.45 3k7tA1 ASP 138 HB2 0.04 0.03 0.06 -0.04 2.71 2.80 3k7tA1 ASP 138 HB3 0.03 0.00 0.05 -0.04 2.70 2.74 3k7tA1 LEU 139 H 0.01 0.17 -0.63 -0.55 8.37 7.36 3k7tA1 LEU 139 HA -0.04 0.22 0.76 -0.75 4.35 4.55 3k7tA1 LEU 139 HB2 -0.03 0.09 -0.03 -0.04 1.64 1.63 3k7tA1 LEU 139 HB3 -0.12 -0.06 0.01 -0.04 1.64 1.42 3k7tA1 LEU 139 HG 0.01 -0.08 -0.21 -0.04 1.64 1.32 3k7tA1 LEU 139 HD13 -0.01 0.01 -0.03 -0.04 0.93 0.86 3k7tA1 LEU 139 HD23 0.01 0.03 -0.08 -0.04 0.89 0.80 3k7tA1 ASP 140 H 0.00 0.33 -0.34 -0.55 8.40 7.85 3k7tA1 ASP 140 HA -0.01 -0.10 0.80 -0.75 4.63 4.56 3k7tA1 ASP 140 HB2 0.02 0.13 0.12 -0.04 2.71 2.95 3k7tA1 ASP 140 HB3 0.02 0.13 0.25 -0.04 2.70 3.05 3k7tA1 ILE 141 H -0.02 0.27 -0.25 -0.55 8.25 7.70 3k7tA1 ILE 141 HA 0.02 0.24 0.81 -0.75 4.18 4.49 3k7tA1 ILE 141 HB 0.04 0.04 0.06 -0.04 1.89 1.99 3k7tA1 ILE 141 HG12 0.08 -0.03 -0.25 -0.04 1.49 1.25 3k7tA1 ILE 141 HG13 0.12 0.02 -0.14 -0.04 1.21 1.17 3k7tA1 ILE 141 HG23 0.04 0.01 -0.22 -0.04 0.93 0.72 3k7tA1 ILE 141 HD13 0.07 0.03 -0.15 -0.04 0.88 0.79 3k7tA1 PRO 142 HA 0.01 0.33 0.49 -0.51 4.44 4.77 3k7tA1 PRO 142 HB2 0.02 -0.20 0.11 -0.04 2.28 2.16 3k7tA1 PRO 142 HB3 0.00 0.22 0.18 -0.04 2.02 2.38 3k7tA1 PRO 142 HG2 0.01 0.03 0.12 -0.04 2.03 2.15 3k7tA1 PRO 142 HG3 -0.00 0.13 0.13 -0.04 2.03 2.25 3k7tA1 PRO 142 HD2 0.02 0.08 0.20 -0.04 3.68 3.95 3k7tA1 PRO 142 HD3 0.01 0.17 0.19 -0.04 3.65 3.98 3k7tA1 LEU 143 H 0.03 0.78 0.29 -0.55 8.37 8.92 3k7tA1 LEU 143 HA 0.11 -0.01 0.28 -0.75 4.35 3.97 3k7tA1 LEU 143 HB2 0.07 0.01 -0.20 -0.04 1.64 1.47 3k7tA1 LEU 143 HB3 0.04 0.05 0.22 -0.04 1.64 1.92 3k7tA1 LEU 143 HG 0.10 -0.06 -0.19 -0.04 1.64 1.46 3k7tA1 LEU 143 HD13 0.13 0.01 -0.06 -0.04 0.93 0.97 3k7tA1 LEU 143 HD23 0.09 -0.01 -0.07 -0.04 0.89 0.87 3k7tA1 ASN 144 H 0.02 0.49 -0.16 -0.55 8.53 8.34 3k7tA1 ASN 144 HA 0.04 0.05 0.39 -0.75 4.76 4.49 3k7tA1 ASN 144 HB2 -0.00 0.05 -0.03 -0.04 2.88 2.86 3k7tA1 ASN 144 HB3 -0.02 -0.11 -0.07 -0.04 2.79 2.55 3k7tA1 ASN 144 HD21 -0.02 0.06 -0.04 -0.04 7.03 6.99 3k7tA1 ASN 144 HD22 -0.03 0.01 -0.07 -0.04 7.74 7.61 3k7tA1 GLU 145 H 0.05 0.24 -0.36 -0.55 8.60 7.98 3k7tA1 GLU 145 HA 0.03 0.07 0.51 -0.75 4.29 4.15 3k7tA1 GLU 145 HB2 0.06 0.19 0.06 -0.04 2.09 2.36 3k7tA1 GLU 145 HB3 0.05 0.01 -0.01 -0.04 1.99 2.00 3k7tA1 GLU 145 HG2 0.02 0.01 0.00 -0.04 2.34 2.33 3k7tA1 GLU 145 HG3 0.02 -0.09 -0.01 -0.04 2.34 2.22 3k7tA1 TYR 146 H 0.18 0.37 -0.17 -0.55 8.29 8.11 3k7tA1 TYR 146 HA 0.02 0.10 0.53 -0.75 4.56 4.45 3k7tA1 TYR 146 HB2 0.02 -0.00 0.01 -0.04 3.06 3.05 3k7tA1 TYR 146 HB3 0.03 0.07 0.11 -0.04 2.98 3.15 3k7tA1 TYR 146 HD2 0.03 0.02 -0.07 -0.04 7.15 7.08 3k7tA1 TYR 146 HE2 0.02 0.01 -0.06 -0.04 6.85 6.79 3k7tA1 VAL 147 H 0.11 0.60 -0.03 -0.55 8.24 8.38 3k7tA1 VAL 147 HA -0.06 0.06 0.48 -0.75 4.13 3.86 3k7tA1 VAL 147 HB 0.05 0.04 0.12 -0.04 2.12 2.29 3k7tA1 VAL 147 HG13 0.04 -0.01 -0.09 -0.04 0.97 0.87 3k7tA1 VAL 147 HG23 0.12 0.03 -0.02 -0.04 0.95 1.04 3k7tA1 ASP 148 H 0.00 0.36 -0.33 -0.55 8.40 7.89 3k7tA1 ASP 148 HA -0.01 -0.00 0.50 -0.75 4.63 4.36 3k7tA1 ASP 148 HB2 0.00 0.13 0.10 -0.04 2.71 2.90 3k7tA1 ASP 148 HB3 -0.00 -0.02 0.05 -0.04 2.70 2.69 3k7tA1 LYS 149 H -0.09 0.24 -0.50 -0.55 8.42 7.51 3k7tA1 LYS 149 HA -0.04 0.06 0.51 -0.75 4.32 4.10 3k7tA1 LYS 149 HB2 -0.24 0.22 0.12 -0.04 1.87 1.92 3k7tA1 LYS 149 HB3 -0.09 -0.04 0.03 -0.04 1.79 1.64 3k7tA1 LYS 149 HG2 -0.01 0.22 0.11 -0.04 1.46 1.73 3k7tA1 LYS 149 HG3 0.01 -0.05 0.04 -0.04 1.46 1.42 3k7tA1 LYS 149 HD2 -0.01 -0.00 0.03 -0.04 1.69 1.67 3k7tA1 LYS 149 HD3 0.01 -0.03 -0.01 -0.04 1.68 1.62 3k7tA1 LYS 149 HE2 0.00 0.01 0.01 -0.04 2.99 2.97 3k7tA1 LYS 149 HE3 0.01 -0.03 0.00 -0.04 2.99 2.93 3k7tA1 LEU 150 H -0.15 0.25 -0.32 -0.55 8.37 7.60 3k7tA1 LEU 150 HA -0.07 0.07 0.53 -0.75 4.35 4.12 3k7tA1 LEU 150 HB2 -0.06 0.10 0.06 -0.04 1.64 1.70 3k7tA1 LEU 150 HB3 -0.04 -0.07 0.02 -0.04 1.64 1.51 3k7tA1 LEU 150 HG -0.34 0.14 0.07 -0.04 1.64 1.46 3k7tA1 LEU 150 HD13 -0.05 -0.03 0.02 -0.04 0.93 0.83 3k7tA1 LEU 150 HD23 -0.13 -0.01 -0.02 -0.04 0.89 0.69 3k7tA1 ASP 151 H -0.04 0.12 -0.48 -0.55 8.40 7.46 3k7tA1 ASP 151 HA -0.01 0.00 0.27 -0.75 4.63 4.14 3k7tA1 ASP 151 HB2 -0.01 0.10 -0.15 -0.04 2.71 2.60 3k7tA1 ASP 151 HB3 -0.00 0.07 0.11 -0.04 2.70 2.83 3k7tA1 LEU 152 H 0.00 0.11 -0.09 -0.55 8.37 7.85 3k7tA1 LEU 152 HA 0.02 0.16 0.35 -0.75 4.35 4.12 3k7tA1 LEU 152 HB2 0.03 -0.03 0.01 -0.04 1.64 1.61 3k7tA1 LEU 152 HB3 0.04 -0.06 -0.23 -0.04 1.64 1.35 3k7tA1 LEU 152 HG 0.01 0.02 -0.15 -0.04 1.64 1.49 3k7tA1 LEU 152 HD13 0.06 0.02 -0.11 -0.04 0.93 0.86 3k7tA1 LEU 152 HD23 0.04 -0.01 -0.12 -0.04 0.89 0.76 3k7tA1 PRO 153 HA 0.01 0.18 0.52 -0.51 4.44 4.64 3k7tA1 PRO 153 HB2 0.00 -0.10 -0.00 -0.04 2.28 2.14 3k7tA1 PRO 153 HB3 0.01 0.11 0.13 -0.04 2.02 2.22 3k7tA1 PRO 153 HG2 0.01 -0.11 0.10 -0.04 2.03 1.99 3k7tA1 PRO 153 HG3 0.01 0.04 0.13 -0.04 2.03 2.18 3k7tA1 PRO 153 HD2 0.02 0.07 0.16 -0.04 3.68 3.89 3k7tA1 PRO 153 HD3 0.01 0.30 0.20 -0.04 3.65 4.13 3k7tA1 PRO 154 HA 0.03 0.10 0.28 -0.51 4.44 4.34 3k7tA1 PRO 154 HB2 0.01 0.03 0.07 -0.04 2.28 2.35 3k7tA1 PRO 154 HB3 0.02 0.07 0.10 -0.04 2.02 2.17 3k7tA1 PRO 154 HG2 0.01 -0.01 0.09 -0.04 2.03 2.08 3k7tA1 PRO 154 HG3 0.01 0.10 0.10 -0.04 2.03 2.20 3k7tA1 PRO 154 HD2 0.01 0.08 0.23 -0.04 3.68 3.96 3k7tA1 PRO 154 HD3 0.01 0.22 0.21 -0.04 3.65 4.05 3k7tA1 VAL 155 H 0.00 0.07 -0.09 -0.55 8.24 7.68 3k7tA1 VAL 155 HA 0.03 0.18 0.44 -0.75 4.13 4.02 3k7tA1 VAL 155 HB -0.05 -0.09 0.11 -0.04 2.12 2.04 3k7tA1 VAL 155 HG13 -0.11 0.06 -0.08 -0.04 0.97 0.80 3k7tA1 VAL 155 HG23 -0.01 0.09 0.02 -0.04 0.95 1.00 3k7tA1 SER 156 H -0.00 0.14 -0.03 -0.55 8.46 8.02 3k7tA1 SER 156 HA 0.05 0.05 0.40 -0.75 4.49 4.24 3k7tA1 SER 156 HB2 0.06 0.02 0.02 -0.04 3.95 4.00 3k7tA1 SER 156 HB3 -0.01 -0.06 0.06 -0.04 3.93 3.88 3k7tA1 ARG 157 H 0.05 0.47 -0.45 -0.55 8.46 7.98 3k7tA1 ARG 157 HA 0.07 0.04 0.42 -0.75 4.34 4.11 3k7tA1 ARG 157 HB2 0.04 0.15 -0.24 -0.04 1.90 1.81 3k7tA1 ARG 157 HB3 0.05 0.09 -0.08 -0.04 1.80 1.82 3k7tA1 ARG 157 HG2 0.05 -0.05 -0.27 -0.04 1.67 1.36 3k7tA1 ARG 157 HG3 0.04 -0.05 -0.06 -0.04 1.67 1.56 3k7tA1 ARG 157 HD2 0.02 0.13 -0.06 -0.04 3.22 3.26 3k7tA1 ARG 157 HD3 0.03 -0.01 -0.08 -0.04 3.22 3.12 3k7tA1 GLN 158 H 0.09 0.49 -0.06 -0.55 8.47 8.44 3k7tA1 GLN 158 HA 0.10 0.02 0.42 -0.75 4.36 4.14 3k7tA1 GLN 158 HB2 0.08 0.02 0.11 -0.04 2.15 2.31 3k7tA1 GLN 158 HB3 0.11 0.07 0.10 -0.04 2.02 2.25 3k7tA1 GLN 158 HG2 0.11 -0.03 -0.05 -0.04 2.40 2.39 3k7tA1 GLN 158 HG3 0.13 0.17 -0.12 -0.04 2.39 2.53 3k7tA1 GLN 158 HE21 0.06 -0.02 0.01 -0.04 6.97 6.98 3k7tA1 GLN 158 HE22 0.07 0.00 0.01 -0.04 7.69 7.73 3k7tA1 PHE 159 H 0.23 0.49 -0.15 -0.55 8.34 8.35 3k7tA1 PHE 159 HA 0.07 0.11 0.49 -0.75 4.62 4.54 3k7tA1 PHE 159 HB2 -0.03 0.07 0.11 -0.04 3.15 3.25 3k7tA1 PHE 159 HB3 0.00 0.00 0.09 -0.04 3.06 3.11 3k7tA1 PHE 159 HD2 0.01 0.03 -0.03 -0.04 7.28 7.25 3k7tA1 PHE 159 HE2 0.20 0.00 0.02 -0.04 7.38 7.57 3k7tA1 PHE 159 HZ 0.14 0.05 0.06 -0.04 7.32 7.53 3k7tA1 LEU 160 H 0.18 0.39 -0.30 -0.55 8.37 8.10 3k7tA1 LEU 160 HA 0.04 0.06 0.58 -0.75 4.35 4.27 3k7tA1 LEU 160 HB2 0.15 0.11 0.14 -0.04 1.64 2.00 3k7tA1 LEU 160 HB3 0.11 0.10 0.10 -0.04 1.64 1.91 3k7tA1 LEU 160 HG 0.10 -0.06 -0.01 -0.04 1.64 1.63 3k7tA1 LEU 160 HD13 0.10 -0.01 0.01 -0.04 0.93 0.99 3k7tA1 LEU 160 HD23 0.10 -0.00 -0.03 -0.04 0.89 0.92 3k7tA1 LEU 161 H 0.10 0.40 -0.17 -0.55 8.37 8.16 3k7tA1 LEU 161 HA 0.11 0.00 0.52 -0.75 4.35 4.23 3k7tA1 LEU 161 HB2 0.09 0.11 0.16 -0.04 1.64 1.96 3k7tA1 LEU 161 HB3 0.08 -0.08 0.05 -0.04 1.64 1.65 3k7tA1 LEU 161 HG 0.07 0.13 0.04 -0.04 1.64 1.84 3k7tA1 LEU 161 HD13 0.04 -0.02 -0.11 -0.04 0.93 0.81 3k7tA1 LEU 161 HD23 0.05 -0.04 -0.01 -0.04 0.89 0.85 3k7tA1 ALA 162 H 0.07 0.43 -0.26 -0.55 8.40 8.09 3k7tA1 ALA 162 HA 0.18 0.04 0.54 -0.75 4.34 4.35 3k7tA1 ALA 162 HB3 -0.09 0.10 0.11 -0.04 1.41 1.49 3k7tA1 TRP 163 H 0.04 0.40 -0.12 -0.55 7.97 7.74 3k7tA1 TRP 163 HA -0.08 0.08 0.48 -0.75 4.62 4.34 3k7tA1 TRP 163 HB2 -0.28 0.12 0.15 -0.04 3.23 3.19 3k7tA1 TRP 163 HB3 -0.15 -0.02 0.00 -0.04 3.23 3.02 3k7tA1 TRP 163 HD1 -1.46 0.21 0.09 -0.04 7.22 6.03 3k7tA1 TRP 163 HE1 -0.16 0.01 0.03 -0.04 10.20 10.03 3k7tA1 TRP 163 HE3 -0.14 -0.05 0.04 -0.04 7.59 7.40 3k7tA1 TRP 163 HZ2 -0.09 0.01 -0.03 -0.04 7.44 7.28 3k7tA1 TRP 163 HZ3 -0.18 0.02 -0.03 -0.04 7.13 6.90 3k7tA1 TRP 163 HH2 -0.37 0.02 -0.04 -0.04 7.19 6.75 3k7tA1 ALA 164 H 0.19 0.35 -0.32 -0.55 8.40 8.07 3k7tA1 ALA 164 HA 0.19 0.06 0.56 -0.75 4.34 4.39 3k7tA1 ALA 164 HB3 0.16 0.03 0.08 -0.04 1.41 1.64 3k7tA1 TRP 165 H 0.33 0.39 -0.28 -0.55 7.97 7.86 3k7tA1 TRP 165 HA 0.10 0.06 0.46 -0.75 4.62 4.49 3k7tA1 TRP 165 HB2 0.05 0.00 0.11 -0.04 3.23 3.35 3k7tA1 TRP 165 HB3 0.03 0.17 0.07 -0.04 3.23 3.46 3k7tA1 TRP 165 HD1 0.08 -0.10 -0.25 -0.04 7.22 6.92 3k7tA1 TRP 165 HE1 0.05 -0.08 -0.13 -0.04 10.20 10.00 3k7tA1 TRP 165 HE3 0.03 0.06 -0.01 -0.04 7.59 7.63 3k7tA1 TRP 165 HZ2 0.07 -0.12 0.08 -0.04 7.44 7.43 3k7tA1 TRP 165 HZ3 0.03 0.26 -0.03 -0.04 7.13 7.35 3k7tA1 TRP 165 HH2 0.05 -0.03 0.06 -0.04 7.19 7.23 3k7tA1 ASN 166 H 0.14 0.24 -0.45 -0.55 8.53 7.92 3k7tA1 ASN 166 HA -0.01 0.07 0.56 -0.75 4.76 4.63 3k7tA1 ASN 166 HB2 -0.23 0.00 0.06 -0.04 2.88 2.67 3k7tA1 ASN 166 HB3 0.07 0.10 0.19 -0.04 2.79 3.12 3k7tA1 ASN 166 HD21 -0.35 -0.01 -0.07 -0.04 7.03 6.56 3k7tA1 ASN 166 HD22 -0.28 -0.04 -0.02 -0.04 7.74 7.36 3k7tA1 MET 167 H 0.20 0.60 -0.03 -0.55 8.47 8.69 3k7tA1 MET 167 HA -0.03 0.04 0.17 -0.75 4.52 3.94 3k7tA1 MET 167 HB2 0.15 -0.02 0.18 -0.04 2.15 2.43 3k7tA1 MET 167 HB3 0.07 -0.00 -0.02 -0.04 2.03 2.03 3k7tA1 MET 167 HG2 0.20 0.06 0.07 -0.04 2.63 2.92 3k7tA1 MET 167 HG3 0.03 -0.05 -0.03 -0.04 2.56 2.46 3k7tA1 MET 167 HE3 -0.05 -0.03 -0.11 -0.04 2.10 1.87 3k7tA1 LEU 168 H 0.33 0.50 0.01 -0.55 8.37 8.66 3k7tA1 LEU 168 HA 0.68 0.12 0.51 -0.75 4.35 4.90 3k7tA1 LEU 168 HB2 0.31 0.20 0.14 -0.04 1.64 2.25 3k7tA1 LEU 168 HB3 0.32 -0.07 -0.03 -0.04 1.64 1.82 3k7tA1 LEU 168 HG 0.49 0.05 -0.02 -0.04 1.64 2.12 3k7tA1 LEU 168 HD13 0.19 -0.03 0.04 -0.04 0.93 1.10 3k7tA1 LEU 168 HD23 0.33 -0.04 -0.04 -0.04 0.89 1.11 3k7tA1 GLY 169 H 0.44 0.19 -0.48 -0.55 8.43 8.04 3k7tA1 GLY 169 HA2 0.28 0.25 0.23 -0.51 4.01 4.27 3k7tA1 GLY 169 HA3 -0.01 -0.07 0.54 -0.51 4.01 3.96 3k7tA1 GLN 170 H 0.40 0.22 -0.05 -0.55 8.47 8.50 3k7tA1 GLN 170 HA 0.19 0.06 0.60 -0.75 4.36 4.47 3k7tA1 GLN 170 HB2 0.02 -0.04 -0.03 -0.04 2.15 2.05 3k7tA1 GLN 170 HB3 0.03 0.24 0.03 -0.04 2.02 2.28 3k7tA1 GLN 170 HG2 0.15 0.01 -0.42 -0.04 2.40 2.11 3k7tA1 GLN 170 HG3 0.12 -0.11 -0.12 -0.04 2.39 2.23 3k7tA1 GLN 170 HE21 -0.08 -0.03 -0.21 -0.04 6.97 6.62 3k7tA1 GLN 170 HE22 -0.03 0.09 -0.05 -0.04 7.69 7.65 3k7tA1 PRO 171 HA -0.87 0.15 0.47 -0.51 4.44 3.68 3k7tA1 PRO 171 HB2 -0.34 -0.10 0.05 -0.04 2.28 1.85 3k7tA1 PRO 171 HB3 -0.75 0.12 0.14 -0.04 2.02 1.49 3k7tA1 PRO 171 HG2 -0.13 -0.04 0.09 -0.04 2.03 1.91 3k7tA1 PRO 171 HG3 -0.15 0.11 0.08 -0.04 2.03 2.03 3k7tA1 PRO 171 HD2 -0.00 0.18 0.24 -0.04 3.68 4.06 3k7tA1 PRO 171 HD3 0.06 0.12 0.15 -0.04 3.65 3.93 3k7tA1 ALA 172 H -0.29 0.23 0.20 -0.55 8.40 7.99 3k7tA1 ALA 172 HA -0.02 0.13 0.32 -0.75 4.34 4.01 3k7tA1 ALA 172 HB3 -0.04 0.03 0.09 -0.04 1.41 1.45 3k7tA1 ASP 173 H -0.12 0.11 -0.22 -0.55 8.40 7.62 3k7tA1 ASP 173 HA -0.03 0.02 0.56 -0.75 4.63 4.43 3k7tA1 ASP 173 HB2 -0.04 0.07 0.08 -0.04 2.71 2.78 3k7tA1 ASP 173 HB3 -0.06 -0.02 0.07 -0.04 2.70 2.65 3k7tA1 GLN 174 H -0.07 0.26 -0.24 -0.55 8.47 7.86 3k7tA1 GLN 174 HA -0.04 0.15 0.81 -0.75 4.36 4.52 3k7tA1 GLN 174 HB2 -0.05 0.04 0.06 -0.04 2.15 2.17 3k7tA1 GLN 174 HB3 -0.04 0.04 0.04 -0.04 2.02 2.02 3k7tA1 GLN 174 HG2 -0.04 0.05 -0.01 -0.04 2.40 2.35 3k7tA1 GLN 174 HG3 -0.06 -0.13 -0.10 -0.04 2.39 2.05 3k7tA1 GLN 174 HE21 -0.03 0.01 -0.00 -0.04 6.97 6.91 3k7tA1 GLN 174 HE22 -0.04 -0.00 -0.02 -0.04 7.69 7.59 3k7tA1 ALA 175 H -0.02 0.37 -0.01 -0.55 8.40 8.20 3k7tA1 ALA 175 HA 0.03 0.13 0.41 -0.75 4.34 4.15 3k7tA1 ALA 175 HB3 0.08 0.01 -0.06 -0.04 1.41 1.41 3k7tA1 SER 176 H 0.06 0.22 0.14 -0.55 8.46 8.32 3k7tA1 SER 176 HA 0.01 0.29 0.74 -0.75 4.49 4.78 3k7tA1 SER 176 HB2 -0.02 0.10 -0.18 -0.04 3.95 3.81 3k7tA1 SER 176 HB3 0.05 -0.05 0.04 -0.04 3.93 3.94 3k7tA1 ALA 177 H -0.03 0.62 0.26 -0.55 8.40 8.70 3k7tA1 ALA 177 HA -0.09 0.04 0.53 -0.75 4.34 4.06 3k7tA1 ALA 177 HB3 -0.49 0.07 0.12 -0.04 1.41 1.06 3k7tA1 LEU 178 H -0.04 0.11 0.04 -0.55 8.37 7.94 3k7tA1 LEU 178 HA -0.06 0.13 0.37 -0.75 4.35 4.04 3k7tA1 LEU 178 HB2 -0.00 0.06 -0.35 -0.04 1.64 1.30 3k7tA1 LEU 178 HB3 0.06 -0.12 -0.03 -0.04 1.64 1.51 3k7tA1 LEU 178 HG 0.10 -0.01 -0.23 -0.04 1.64 1.46 3k7tA1 LEU 178 HD13 0.01 0.00 -0.02 -0.04 0.93 0.88 3k7tA1 LEU 178 HD23 0.06 0.04 -0.10 -0.04 0.89 0.85 3k7tA1 TRP 179 H 0.21 0.08 -0.32 -0.55 7.97 7.40 3k7tA1 TRP 179 HA -0.03 0.12 0.52 -0.75 4.62 4.49 3k7tA1 TRP 179 HB2 -0.10 -0.07 0.06 -0.04 3.23 3.08 3k7tA1 TRP 179 HB3 -0.04 0.08 0.05 -0.04 3.23 3.29 3k7tA1 TRP 179 HD1 0.07 -0.01 -0.04 -0.04 7.22 7.20 3k7tA1 TRP 179 HE1 0.18 0.25 0.13 -0.04 10.20 10.73 3k7tA1 TRP 179 HE3 0.04 -0.08 -0.03 -0.04 7.59 7.49 3k7tA1 TRP 179 HZ2 0.18 0.06 -0.05 -0.04 7.44 7.59 3k7tA1 TRP 179 HZ3 0.18 0.01 -0.04 -0.04 7.13 7.24 3k7tA1 TRP 179 HH2 0.28 0.09 -0.05 -0.04 7.19 7.47 3k7tA1 MET 180 H 0.08 0.28 -0.23 -0.55 8.47 8.05 3k7tA1 MET 180 HA -0.04 0.08 0.55 -0.75 4.52 4.36 3k7tA1 MET 180 HB2 0.07 0.05 0.13 -0.04 2.15 2.36 3k7tA1 MET 180 HB3 -0.01 0.12 0.16 -0.04 2.03 2.25 3k7tA1 MET 180 HG2 0.05 -0.01 0.07 -0.04 2.63 2.70 3k7tA1 MET 180 HG3 0.09 -0.04 0.00 -0.04 2.56 2.58 3k7tA1 MET 180 HE3 0.15 -0.00 -0.05 -0.04 2.10 2.16 3k7tA1 LEU 181 H -0.08 0.58 -0.11 -0.55 8.37 8.21 3k7tA1 LEU 181 HA -0.06 0.04 0.54 -0.75 4.35 4.12 3k7tA1 LEU 181 HB2 -0.09 0.08 0.06 -0.04 1.64 1.65 3k7tA1 LEU 181 HB3 -0.05 -0.01 -0.05 -0.04 1.64 1.49 3k7tA1 LEU 181 HG -0.16 0.04 0.03 -0.04 1.64 1.50 3k7tA1 LEU 181 HD13 -0.23 -0.01 -0.15 -0.04 0.93 0.50 3k7tA1 LEU 181 HD23 0.06 -0.03 -0.01 -0.04 0.89 0.86 3k7tA1 GLN 182 H -0.17 0.27 -0.35 -0.55 8.47 7.67 3k7tA1 GLN 182 HA -0.22 0.07 0.53 -0.75 4.36 3.99 3k7tA1 GLN 182 HB2 -0.13 -0.00 0.09 -0.04 2.15 2.07 3k7tA1 GLN 182 HB3 -0.46 0.01 0.23 -0.04 2.02 1.76 3k7tA1 GLN 182 HG2 -0.70 -0.06 -0.04 -0.04 2.40 1.56 3k7tA1 GLN 182 HG3 -0.81 0.04 -0.32 -0.04 2.39 1.26 3k7tA1 GLN 182 HE21 -0.16 0.14 -0.00 -0.04 6.97 6.91 3k7tA1 GLN 182 HE22 -0.30 -0.00 -0.09 -0.04 7.69 7.25 3k7tA1 LEU 183 H -0.42 0.43 -0.22 -0.55 8.37 7.61 3k7tA1 LEU 183 HA -0.33 0.08 0.44 -0.75 4.35 3.78 3k7tA1 LEU 183 HB2 -0.19 0.11 0.13 -0.04 1.64 1.65 3k7tA1 LEU 183 HB3 -0.06 -0.04 0.00 -0.04 1.64 1.51 3k7tA1 LEU 183 HG -0.83 0.08 0.07 -0.04 1.64 0.92 3k7tA1 LEU 183 HD13 -0.02 -0.02 -0.05 -0.04 0.93 0.81 3k7tA1 LEU 183 HD23 -0.09 0.00 -0.00 -0.04 0.89 0.76 3k7tA1 VAL 184 H -0.15 0.25 -0.41 -0.55 8.24 7.37 3k7tA1 VAL 184 HA -0.07 0.14 0.45 -0.75 4.13 3.90 3k7tA1 VAL 184 HB -0.07 0.20 0.10 -0.04 2.12 2.30 3k7tA1 VAL 184 HG13 -0.01 -0.04 -0.39 -0.04 0.97 0.48 3k7tA1 VAL 184 HG23 -0.03 0.08 0.01 -0.04 0.95 0.97 3k7tA1 ALA 185 H -0.24 0.53 -0.14 -0.55 8.40 8.00 3k7tA1 ALA 185 HA -0.89 -0.07 0.36 -0.75 4.34 2.99 3k7tA1 ALA 185 HB3 -0.33 0.06 0.12 -0.04 1.41 1.22 3k7tA1 ALA 186 H -0.42 0.44 -0.30 -0.55 8.40 7.57 3k7tA1 ALA 186 HA -0.66 0.07 0.59 -0.75 4.34 3.59 3k7tA1 ALA 186 HB3 -0.60 0.02 0.12 -0.04 1.41 0.91 3k7tA1 HIS 187 H -0.27 0.33 -0.44 -0.55 8.41 7.48 3k7tA1 HIS 187 HA -0.23 0.08 0.65 -0.75 4.63 4.38 3k7tA1 HIS 187 HB2 -0.13 0.13 0.08 -0.04 3.26 3.29 3k7tA1 HIS 187 HB3 -0.01 -0.09 -0.05 -0.04 3.20 3.00 3k7tA1 HIS 187 HD2 0.22 -0.07 -0.00 -0.04 6.97 7.07 3k7tA1 HIS 187 HE1 0.20 -0.02 -0.02 -0.04 7.75 7.87 3k7tA1 HIS 188 H -0.55 0.36 -0.43 -0.55 8.41 7.24 3k7tA1 HIS 188 HA -0.20 0.04 0.24 -0.75 4.63 3.95 3k7tA1 HIS 188 HB2 -0.09 -0.01 -0.29 -0.04 3.26 2.84 3k7tA1 HIS 188 HB3 -0.03 -0.01 0.17 -0.04 3.20 3.28 3k7tA1 HIS 188 HD2 -0.03 0.00 0.00 -0.04 6.97 6.90 3k7tA1 HIS 188 HE1 -0.26 0.01 0.00 -0.04 7.75 7.46 3k7tA1 TYR 189 H -0.55 0.22 -0.27 -0.55 8.29 7.14 3k7tA1 TYR 189 HA -0.18 0.03 0.04 -0.75 4.56 3.70 3k7tA1 TYR 189 HB2 -0.15 0.02 -0.09 -0.04 3.06 2.80 3k7tA1 TYR 189 HB3 -0.47 -0.06 0.03 -0.04 2.98 2.44 3k7tA1 TYR 189 HD2 -0.33 -0.07 -0.23 -0.04 7.15 6.48 3k7tA1 TYR 189 HE2 -0.18 0.13 0.05 -0.04 6.85 6.82 3k7tA1 SER 190 H -0.03 0.45 -0.14 -0.55 8.46 8.20 3k7tA1 SER 190 HA 0.05 0.02 0.71 -0.75 4.49 4.51 3k7tA1 SER 190 HB2 0.05 0.28 -0.16 -0.04 3.95 4.08 3k7tA1 SER 190 HB3 0.04 0.30 -0.01 -0.04 3.93 4.23 3k7tA1 ILE 191 H 0.02 0.20 0.12 -0.55 8.25 8.04 3k7tA1 ILE 191 HA -0.03 0.19 0.61 -0.75 4.18 4.20 3k7tA1 ILE 191 HB 0.02 0.03 0.04 -0.04 1.89 1.94 3k7tA1 ILE 191 HG12 0.06 0.06 0.04 -0.04 1.49 1.60 3k7tA1 ILE 191 HG13 0.03 -0.10 0.15 -0.04 1.21 1.24 3k7tA1 ILE 191 HG23 0.04 0.02 -0.04 -0.04 0.93 0.91 3k7tA1 ILE 191 HD13 0.07 0.01 -0.12 -0.04 0.88 0.80 3k7tA1 LEU 192 H -0.03 0.10 -0.03 -0.55 8.37 7.86 3k7tA1 LEU 192 HA -0.11 0.17 0.69 -0.75 4.35 4.34 3k7tA1 LEU 192 HB2 -0.06 0.04 0.05 -0.04 1.64 1.62 3k7tA1 LEU 192 HB3 -0.09 0.03 0.04 -0.04 1.64 1.57 3k7tA1 LEU 192 HG -0.03 -0.06 -0.00 -0.04 1.64 1.51 3k7tA1 LEU 192 HD13 -0.13 0.02 0.00 -0.04 0.93 0.78 3k7tA1 LEU 192 HD23 -0.08 0.02 0.00 -0.04 0.89 0.79 3k7tA1 GLY 193 H -0.05 0.08 -0.37 -0.55 8.43 7.54 3k7tA1 GLY 193 HA2 -0.07 0.00 0.27 -0.51 4.01 3.70 3k7tA1 GLY 193 HA3 -0.01 0.24 0.21 -0.51 4.01 3.95 3k7tA1 VAL 194 H -0.21 0.12 -0.76 -0.55 8.24 6.84 3k7tA1 VAL 194 HA -0.95 0.16 0.57 -0.75 4.13 3.15 3k7tA1 VAL 194 HB -0.24 0.01 -0.02 -0.04 2.12 1.83 3k7tA1 VAL 194 HG13 -0.14 -0.00 -0.05 -0.04 0.97 0.73 3k7tA1 VAL 194 HG23 -0.11 0.03 -0.05 -0.04 0.95 0.78 3k7tA1 VAL 195 H -0.32 0.20 -0.15 -0.55 8.24 7.43 3k7tA1 VAL 195 HA -0.36 0.19 0.70 -0.75 4.13 3.90 3k7tA1 VAL 195 HB -0.51 0.04 0.12 -0.04 2.12 1.74 3k7tA1 VAL 195 HG13 -0.76 0.00 -0.05 -0.04 0.97 0.12 3k7tA1 VAL 195 HG23 -1.16 0.01 -0.03 -0.04 0.95 -0.27 3k7tA1 LEU 196 H -0.19 0.52 0.14 -0.55 8.37 8.30 3k7tA1 LEU 196 HA -0.08 0.14 0.37 -0.75 4.35 4.02 3k7tA1 LEU 196 HB2 -0.07 0.00 -0.05 -0.04 1.64 1.47 3k7tA1 LEU 196 HB3 -0.04 -0.01 0.09 -0.04 1.64 1.63 3k7tA1 LEU 196 HG -0.13 0.06 0.08 -0.04 1.64 1.62 3k7tA1 LEU 196 HD13 -0.07 -0.03 -0.05 -0.04 0.93 0.74 3k7tA1 LEU 196 HD23 -0.04 0.00 -0.04 -0.04 0.89 0.78 3k7tA1 SER 197 H -0.11 0.17 -0.83 -0.55 8.46 7.13 3k7tA1 SER 197 HA 0.07 0.06 0.48 -0.75 4.49 4.35 3k7tA1 SER 197 HB2 -0.06 -0.16 0.05 -0.04 3.95 3.74 3k7tA1 SER 197 HB3 -0.02 0.19 0.03 -0.04 3.93 4.09 3k7tA1 LEU 198 H -0.02 0.32 -0.48 -0.55 8.37 7.65 3k7tA1 LEU 198 HA 0.12 -0.02 0.53 -0.75 4.35 4.23 3k7tA1 LEU 198 HB2 -0.04 0.16 0.14 -0.04 1.64 1.85 3k7tA1 LEU 198 HB3 0.03 -0.04 0.08 -0.04 1.64 1.66 3k7tA1 LEU 198 HG -0.07 -0.12 -0.02 -0.04 1.64 1.39 3k7tA1 LEU 198 HD13 -0.06 0.05 -0.05 -0.04 0.93 0.82 3k7tA1 LEU 198 HD23 -0.44 -0.00 0.01 -0.04 0.89 0.42 3k7tA1 ASP 199 H -0.04 0.40 0.13 -0.55 8.40 8.33 3k7tA1 ASP 199 HA -0.12 0.17 0.54 -0.75 4.63 4.46 3k7tA1 ASP 199 HB2 -0.77 0.06 0.07 -0.04 2.71 2.02 3k7tA1 ASP 199 HB3 -0.55 -0.10 0.33 -0.04 2.70 2.34 3k7tA1 GLU 200 H -0.08 0.62 0.37 -0.55 8.60 8.97 3k7tA1 GLU 200 HA -0.06 0.14 1.02 -0.75 4.29 4.63 3k7tA1 GLU 200 HB2 -0.11 -0.11 -0.08 -0.04 2.09 1.75 3k7tA1 GLU 200 HB3 -0.11 0.08 -0.16 -0.04 1.99 1.76 3k7tA1 GLU 200 HG2 -0.09 0.06 -0.25 -0.04 2.34 2.01 3k7tA1 GLU 200 HG3 -0.14 -0.11 -0.27 -0.04 2.34 1.77 3k7tA1 VAL 201 H -0.09 0.80 0.22 -0.55 8.24 8.63 3k7tA1 VAL 201 HA -0.09 0.14 0.79 -0.75 4.13 4.21 3k7tA1 VAL 201 HB -0.25 -0.01 -0.06 -0.04 2.12 1.75 3k7tA1 VAL 201 HG13 -0.36 -0.02 -0.19 -0.04 0.97 0.36 3k7tA1 VAL 201 HG23 -0.10 0.04 -0.23 -0.04 0.95 0.61 3k7tA1 PHE 202 H 0.15 0.11 -0.02 -0.55 8.34 8.03 3k7tA1 PHE 202 HA -0.03 0.16 0.63 -0.75 4.62 4.63 3k7tA1 PHE 202 HB2 -0.05 -0.06 0.11 -0.04 3.15 3.11 3k7tA1 PHE 202 HB3 -0.01 -0.17 -0.12 -0.04 3.06 2.71 3k7tA1 PHE 202 HD2 -0.00 0.22 0.02 -0.04 7.28 7.48 3k7tA1 PHE 202 HE2 0.01 0.01 -0.05 -0.04 7.38 7.30 3k7tA1 PHE 202 HZ -0.06 -0.03 -0.06 -0.04 7.32 7.14 3k7tA1 SER 203 H -0.01 0.45 0.29 -0.55 8.46 8.64 3k7tA1 SER 203 HA -0.01 0.09 0.36 -0.75 4.49 4.17 3k7tA1 SER 203 HB2 0.00 0.12 0.05 -0.04 3.95 4.08 3k7tA1 SER 203 HB3 -0.01 0.02 -0.03 -0.04 3.93 3.87 3k7tA1 ASN 204 H 0.10 0.12 -0.05 -0.55 8.53 8.16 3k7tA1 ASN 204 HA 0.03 0.25 0.83 -0.75 4.76 5.12 3k7tA1 ASN 204 HB2 0.07 0.01 0.06 -0.04 2.88 2.99 3k7tA1 ASN 204 HB3 0.05 -0.04 0.12 -0.04 2.79 2.87 3k7tA1 ASN 204 HD21 0.02 0.02 -0.01 -0.04 7.03 7.02 3k7tA1 ASN 204 HD22 0.02 -0.03 0.02 -0.04 7.74 7.71 3k7tA1 GLY 205 H 0.15 0.09 -0.56 -0.55 8.43 7.56 3k7tA1 GLY 205 HA2 0.03 0.08 0.21 -0.51 4.01 3.82 3k7tA1 GLY 205 HA3 0.01 0.15 0.49 -0.51 4.01 4.14 3k7tA1 SER 206 H -0.17 0.19 0.05 -0.55 8.46 7.98 3k7tA1 SER 206 HA -0.75 0.11 0.47 -0.75 4.49 3.57 3k7tA1 SER 206 HB2 -0.05 -0.01 0.09 -0.04 3.95 3.94 3k7tA1 SER 206 HB3 -0.41 0.12 0.11 -0.04 3.93 3.70 3k7tA1 ALA 207 H -0.05 0.11 -0.25 -0.55 8.40 7.66 3k7tA1 ALA 207 HA -0.04 0.07 0.37 -0.75 4.34 3.98 3k7tA1 ALA 207 HB3 -0.02 0.06 0.06 -0.04 1.41 1.48 3k7tA1 ASP 208 H 0.02 0.26 -0.41 -0.55 8.40 7.73 3k7tA1 ASP 208 HA -0.00 0.11 0.43 -0.75 4.63 4.42 3k7tA1 ASP 208 HB2 0.11 0.06 -0.03 -0.04 2.71 2.80 3k7tA1 ASP 208 HB3 0.07 0.06 -0.09 -0.04 2.70 2.70 3k7tA1 LEU 209 H 0.09 0.20 -0.22 -0.55 8.37 7.88 3k7tA1 LEU 209 HA 0.02 0.15 0.52 -0.75 4.35 4.29 3k7tA1 LEU 209 HB2 0.40 -0.00 0.03 -0.04 1.64 2.03 3k7tA1 LEU 209 HB3 0.38 0.04 0.04 -0.04 1.64 2.06 3k7tA1 LEU 209 HG 0.42 -0.02 -0.05 -0.04 1.64 1.95 3k7tA1 LEU 209 HD13 0.31 0.00 -0.12 -0.04 0.93 1.08 3k7tA1 LEU 209 HD23 0.35 -0.01 -0.06 -0.04 0.89 1.12 3k7tA1 VAL 210 H -0.05 0.41 -0.14 -0.55 8.24 7.91 3k7tA1 VAL 210 HA -0.35 0.02 0.48 -0.75 4.13 3.52 3k7tA1 VAL 210 HB -0.13 0.06 0.12 -0.04 2.12 2.14 3k7tA1 VAL 210 HG13 -0.17 0.05 -0.28 -0.04 0.97 0.53 3k7tA1 VAL 210 HG23 -0.46 0.02 0.01 -0.04 0.95 0.48 3k7tA1 ASP 211 H -0.09 0.54 -0.09 -0.55 8.40 8.22 3k7tA1 ASP 211 HA -0.08 0.04 0.43 -0.75 4.63 4.26 3k7tA1 ASP 211 HB2 -0.06 0.09 0.11 -0.04 2.71 2.81 3k7tA1 ASP 211 HB3 -0.05 0.01 0.01 -0.04 2.70 2.63 3k7tA1 ALA 212 H -0.18 0.25 -0.38 -0.55 8.40 7.53 3k7tA1 ALA 212 HA -0.22 0.09 0.46 -0.75 4.34 3.93 3k7tA1 ALA 212 HB3 -0.69 0.03 0.08 -0.04 1.41 0.79 3k7tA1 MET 213 H -0.26 0.32 -0.27 -0.55 8.47 7.72 3k7tA1 MET 213 HA -0.01 0.10 0.52 -0.75 4.52 4.37 3k7tA1 MET 213 HB2 -0.09 0.08 0.10 -0.04 2.15 2.19 3k7tA1 MET 213 HB3 0.01 -0.01 -0.13 -0.04 2.03 1.86 3k7tA1 MET 213 HG2 0.23 0.01 -0.03 -0.04 2.63 2.80 3k7tA1 MET 213 HG3 0.07 0.11 0.03 -0.04 2.56 2.72 3k7tA1 MET 213 HE3 0.32 -0.01 -0.04 -0.04 2.10 2.33 3k7tA1 SER 214 H -0.11 0.33 -0.27 -0.55 8.46 7.86 3k7tA1 SER 214 HA -0.04 0.03 0.40 -0.75 4.49 4.13 3k7tA1 SER 214 HB2 -0.08 -0.07 0.06 -0.04 3.95 3.83 3k7tA1 SER 214 HB3 -0.07 0.09 0.10 -0.04 3.93 4.00 3k7tA1 GLN 215 H -0.06 0.21 -0.56 -0.55 8.47 7.51 3k7tA1 GLN 215 HA -0.01 0.05 0.43 -0.75 4.36 4.07 3k7tA1 GLN 215 HB2 -0.04 0.09 0.14 -0.04 2.15 2.30 3k7tA1 GLN 215 HB3 0.00 0.12 0.03 -0.04 2.02 2.12 3k7tA1 GLN 215 HG2 0.02 -0.00 -0.00 -0.04 2.40 2.37 3k7tA1 GLN 215 HG3 -0.00 -0.04 0.06 -0.04 2.39 2.37 3k7tA1 GLN 215 HE21 0.00 -0.05 -0.02 -0.04 6.97 6.86 3k7tA1 GLN 215 HE22 -0.02 0.05 -0.02 -0.04 7.69 7.65 3k7tA1 GLU 216 H 0.02 0.26 -0.41 -0.55 8.60 7.93 3k7tA1 GLU 216 HA 0.04 0.15 0.66 -0.75 4.29 4.39 3k7tA1 GLU 216 HB2 0.10 0.06 0.08 -0.04 2.09 2.29 3k7tA1 GLU 216 HB3 0.07 -0.03 0.16 -0.04 1.99 2.15 3k7tA1 GLU 216 HG2 0.08 0.01 -0.03 -0.04 2.34 2.35 3k7tA1 GLU 216 HG3 0.13 0.01 -0.10 -0.04 2.34 2.34 3k7tA1 ILE 217 H 0.01 0.33 -0.57 -0.55 8.25 7.46 3k7tA1 ILE 217 HA 0.01 0.21 0.84 -0.75 4.18 4.49 3k7tA1 ILE 217 HB -0.02 0.04 0.03 -0.04 1.89 1.90 3k7tA1 ILE 217 HG12 0.00 -0.05 -0.26 -0.04 1.49 1.14 3k7tA1 ILE 217 HG13 0.01 0.09 -0.24 -0.04 1.21 1.03 3k7tA1 ILE 217 HG23 -0.03 -0.05 -0.22 -0.04 0.93 0.60 3k7tA1 ILE 217 HD13 -0.02 -0.01 -0.07 -0.04 0.88 0.74 3k7tA1 PRO 218 HA 0.01 0.12 0.38 -0.51 4.44 4.44 3k7tA1 PRO 218 HB2 0.03 -0.00 0.02 -0.04 2.28 2.29 3k7tA1 PRO 218 HB3 0.02 0.03 0.07 -0.04 2.02 2.10 3k7tA1 PRO 218 HG2 0.03 0.06 0.17 -0.04 2.03 2.25 3k7tA1 PRO 218 HG3 0.03 0.06 0.12 -0.04 2.03 2.20 3k7tA1 PRO 218 HD2 0.01 0.07 0.20 -0.04 3.68 3.91 3k7tA1 PRO 218 HD3 0.02 0.28 0.16 -0.04 3.65 4.07 3k7tA1 GLU 219 H -0.01 0.16 -0.13 -0.55 8.60 8.07 3k7tA1 GLU 219 HA -0.01 0.19 1.04 -0.75 4.29 4.77 3k7tA1 GLU 219 HB2 0.04 0.02 -0.01 -0.04 2.09 2.10 3k7tA1 GLU 219 HB3 -0.06 -0.05 0.25 -0.04 1.99 2.09 3k7tA1 GLU 219 HG2 0.05 -0.05 -0.04 -0.04 2.34 2.26 3k7tA1 GLU 219 HG3 0.02 0.03 0.03 -0.04 2.34 2.38 3k7tA1 ILE 220 H -0.03 0.31 0.12 -0.55 8.25 8.09 3k7tA1 ILE 220 HA -0.09 0.19 0.96 -0.75 4.18 4.48 3k7tA1 ILE 220 HB -0.04 0.04 0.04 -0.04 1.89 1.89 3k7tA1 ILE 220 HG12 -0.06 -0.06 -0.15 -0.04 1.49 1.19 3k7tA1 ILE 220 HG13 -0.04 -0.06 -0.57 -0.04 1.21 0.49 3k7tA1 ILE 220 HG23 -0.06 -0.04 -0.24 -0.04 0.93 0.55 3k7tA1 ILE 220 HD13 -0.03 0.01 -0.05 -0.04 0.88 0.77 3k7tA1 ARG 221 H -0.13 0.67 0.25 -0.55 8.46 8.70 3k7tA1 ARG 221 HA -0.05 0.15 0.97 -0.75 4.34 4.66 3k7tA1 ARG 221 HB2 -0.18 -0.04 0.18 -0.04 1.90 1.82 3k7tA1 ARG 221 HB3 -0.06 0.05 0.01 -0.04 1.80 1.76 3k7tA1 ARG 221 HG2 -0.13 -0.06 -0.32 -0.04 1.67 1.12 3k7tA1 ARG 221 HG3 -0.22 -0.01 -0.09 -0.04 1.67 1.31 3k7tA1 ARG 221 HD2 -0.00 0.04 0.00 -0.04 3.22 3.22 3k7tA1 ARG 221 HD3 0.01 0.01 -0.11 -0.04 3.22 3.09 3k7tA1 LEU 222 H -0.03 0.17 0.07 -0.55 8.37 8.03 3k7tA1 LEU 222 HA -0.04 0.05 0.57 -0.75 4.35 4.18 3k7tA1 LEU 222 HB2 -0.02 0.01 0.04 -0.04 1.64 1.63 3k7tA1 LEU 222 HB3 -0.02 0.07 0.04 -0.04 1.64 1.69 3k7tA1 LEU 222 HG -0.03 -0.03 -0.16 -0.04 1.64 1.38 3k7tA1 LEU 222 HD13 -0.02 0.03 -0.06 -0.04 0.93 0.84 3k7tA1 LEU 222 HD23 -0.03 -0.04 -0.31 -0.04 0.89 0.47 3k7tA1 GLN 223 H -0.02 0.49 0.06 -0.55 8.47 8.46 3k7tA1 GLN 223 HA -0.01 0.12 0.01 -0.75 4.36 3.73 3k7tA1 GLN 223 HB2 -0.00 0.15 -0.05 -0.04 2.15 2.20 3k7tA1 GLN 223 HB3 -0.00 -0.05 0.17 -0.04 2.02 2.10 3k7tA1 GLN 223 HG2 -0.00 -0.06 -0.19 -0.04 2.40 2.11 3k7tA1 GLN 223 HG3 -0.01 -0.02 -0.23 -0.04 2.39 2.10 3k7tA1 GLN 223 HE21 0.00 -0.02 -0.01 -0.04 6.97 6.91 3k7tA1 GLN 223 HE22 0.00 0.01 0.01 -0.04 7.69 7.67 3k7tA1 THR 224 H -0.03 0.76 -0.16 -0.55 8.28 8.30 3k7tA1 THR 224 HA 0.00 0.11 0.71 -0.75 4.39 4.47 3k7tA1 THR 224 HB -0.08 -0.08 -0.02 -0.04 4.32 4.10 3k7tA1 THR 224 HG23 -0.01 -0.01 -0.21 -0.04 1.22 0.94 3k7tA1 VAL 225 H -0.00 0.23 -0.03 -0.55 8.24 7.89 3k7tA1 VAL 225 HA -0.02 0.00 0.49 -0.75 4.13 3.84 3k7tA1 VAL 225 HB 0.00 -0.06 0.12 -0.04 2.12 2.14 3k7tA1 VAL 225 HG13 -0.01 0.03 -0.17 -0.04 0.97 0.78 3k7tA1 VAL 225 HG23 -0.01 -0.00 -0.03 -0.04 0.95 0.88 3k7tA1 VAL 226 H -0.02 0.14 0.15 -0.55 8.24 7.95 3k7tA1 VAL 226 HA -0.01 0.14 0.66 -0.75 4.13 4.17 3k7tA1 VAL 226 HB -0.03 -0.05 0.10 -0.04 2.12 2.10 3k7tA1 VAL 226 HG13 -0.05 0.05 -0.19 -0.04 0.97 0.74 3k7tA1 VAL 226 HG23 -0.05 0.03 -0.10 -0.04 0.95 0.79 3k7tA1 THR 227 H -0.02 0.38 0.25 -0.55 8.28 8.35 3k7tA1 THR 227 HA -0.03 0.26 0.84 -0.75 4.39 4.71 3k7tA1 THR 227 HB -0.02 0.03 0.08 -0.04 4.32 4.38 3k7tA1 THR 227 HG23 -0.00 -0.00 -0.09 -0.04 1.22 1.09 3k7tA1 GLY 228 H -0.07 0.28 0.07 -0.55 8.43 8.17 3k7tA1 GLY 228 HA2 -0.25 0.05 0.48 -0.51 4.01 3.78 3k7tA1 GLY 228 HA3 -0.10 0.06 0.35 -0.51 4.01 3.80 3k7tA1 ILE 229 H -0.38 0.36 0.07 -0.55 8.25 7.76 3k7tA1 ILE 229 HA -0.06 0.20 0.99 -0.75 4.18 4.56 3k7tA1 ILE 229 HB -0.12 -0.01 0.05 -0.04 1.89 1.76 3k7tA1 ILE 229 HG12 -0.04 0.00 -0.13 -0.04 1.49 1.28 3k7tA1 ILE 229 HG13 -0.07 0.07 -0.14 -0.04 1.21 1.03 3k7tA1 ILE 229 HG23 0.03 -0.00 -0.24 -0.04 0.93 0.67 3k7tA1 ILE 229 HD13 -0.13 -0.02 -0.21 -0.04 0.88 0.47 3k7tA1 ASP 230 H -0.00 0.96 0.31 -0.55 8.40 9.12 3k7tA1 ASP 230 HA 0.03 0.18 1.11 -0.75 4.63 5.20 3k7tA1 ASP 230 HB2 -0.00 0.02 -0.07 -0.04 2.71 2.61 3k7tA1 ASP 230 HB3 0.00 -0.01 0.23 -0.04 2.70 2.89 3k7tA1 GLN 231 H 0.04 0.73 0.28 -0.55 8.47 8.97 3k7tA1 GLN 231 HA 0.02 0.14 0.84 -0.75 4.36 4.60 3k7tA1 GLN 231 HB2 0.01 0.06 0.15 -0.04 2.15 2.33 3k7tA1 GLN 231 HB3 0.02 -0.08 -0.03 -0.04 2.02 1.89 3k7tA1 GLN 231 HG2 0.05 0.07 0.04 -0.04 2.40 2.51 3k7tA1 GLN 231 HG3 0.02 0.04 0.12 -0.04 2.39 2.53 3k7tA1 GLN 231 HE21 -0.01 0.33 0.23 -0.04 6.97 7.48 3k7tA1 GLN 231 HE22 0.03 0.07 -0.01 -0.04 7.69 7.73 3k7tA1 SER 232 H 0.02 -0.00 -0.25 -0.55 8.46 7.68 3k7tA1 SER 232 HA 0.02 0.05 0.63 -0.75 4.49 4.44 3k7tA1 SER 232 HB2 0.01 -0.02 0.06 -0.04 3.95 3.97 3k7tA1 SER 232 HB3 0.01 -0.03 0.10 -0.04 3.93 3.98 3k7tA1 GLY 233 H 0.01 0.02 0.00 -0.55 8.43 7.92 3k7tA1 GLY 233 HA2 0.01 0.01 0.06 -0.51 4.01 3.57 3k7tA1 GLY 233 HA3 0.01 -0.06 0.37 -0.51 4.01 3.82 3k7tA1 ASP 234 H 0.01 0.04 0.16 -0.55 8.40 8.07 3k7tA1 ASP 234 HA 0.03 0.14 0.39 -0.75 4.63 4.44 3k7tA1 ASP 234 HB2 0.03 -0.01 0.00 -0.04 2.71 2.70 3k7tA1 ASP 234 HB3 0.03 0.02 0.12 -0.04 2.70 2.83 3k7tA1 VAL 235 H 0.01 -0.07 -0.20 -0.55 8.24 7.43 3k7tA1 VAL 235 HA 0.01 0.27 0.79 -0.75 4.13 4.45 3k7tA1 VAL 235 HB -0.06 -0.05 -0.15 -0.04 2.12 1.81 3k7tA1 VAL 235 HG13 -0.03 -0.02 -0.24 -0.04 0.97 0.64 3k7tA1 VAL 235 HG23 -0.25 0.05 -0.21 -0.04 0.95 0.50 3k7tA1 VAL 236 H -0.01 0.49 0.17 -0.55 8.24 8.34 3k7tA1 VAL 236 HA 0.01 0.15 0.75 -0.75 4.13 4.28 3k7tA1 VAL 236 HB 0.01 0.05 -0.04 -0.04 2.12 2.11 3k7tA1 VAL 236 HG13 0.01 -0.04 -0.37 -0.04 0.97 0.53 3k7tA1 VAL 236 HG23 0.02 0.01 -0.01 -0.04 0.95 0.93 3k7tA1 ASN 237 H 0.01 0.86 0.44 -0.55 8.53 9.30 3k7tA1 ASN 237 HA 0.03 0.20 0.95 -0.75 4.76 5.20 3k7tA1 ASN 237 HB2 0.01 -0.03 0.03 -0.04 2.88 2.85 3k7tA1 ASN 237 HB3 0.01 -0.04 0.21 -0.04 2.79 2.93 3k7tA1 ASN 237 HD21 0.01 0.02 -0.13 -0.04 7.03 6.88 3k7tA1 ASN 237 HD22 0.01 -0.05 -0.06 -0.04 7.74 7.59 3k7tA1 VAL 238 H 0.08 0.97 0.37 -0.55 8.24 9.11 3k7tA1 VAL 238 HA 0.01 0.21 1.09 -0.75 4.13 4.68 3k7tA1 VAL 238 HB 0.10 -0.08 0.09 -0.04 2.12 2.19 3k7tA1 VAL 238 HG13 -0.01 -0.00 -0.17 -0.04 0.97 0.75 3k7tA1 VAL 238 HG23 -0.00 0.00 -0.20 -0.04 0.95 0.71 3k7tA1 THR 239 H -0.00 0.52 0.26 -0.55 8.28 8.51 3k7tA1 THR 239 HA 0.06 0.21 0.95 -0.75 4.39 4.85 3k7tA1 THR 239 HB 0.01 -0.04 0.00 -0.04 4.32 4.25 3k7tA1 THR 239 HG23 -0.02 -0.02 -0.08 -0.04 1.22 1.06 3k7tA1 VAL 240 H 0.06 0.65 0.05 -0.55 8.24 8.45 3k7tA1 VAL 240 HA 0.03 0.03 0.90 -0.75 4.13 4.34 3k7tA1 VAL 240 HB 0.11 0.10 -0.30 -0.04 2.12 2.00 3k7tA1 VAL 240 HG13 0.06 -0.04 -0.33 -0.04 0.97 0.62 3k7tA1 VAL 240 HG23 0.16 -0.00 -0.44 -0.04 0.95 0.62 3k7tA1 LYS 241 H 0.01 0.55 0.20 -0.55 8.42 8.63 3k7tA1 LYS 241 HA 0.01 0.03 0.45 -0.75 4.32 4.06 3k7tA1 LYS 241 HB2 0.01 0.10 0.18 -0.04 1.87 2.12 3k7tA1 LYS 241 HB3 0.02 -0.21 0.15 -0.04 1.79 1.71 3k7tA1 LYS 241 HG2 0.01 -0.01 -0.07 -0.04 1.46 1.35 3k7tA1 LYS 241 HG3 0.01 0.02 0.02 -0.04 1.46 1.47 3k7tA1 LYS 241 HD2 0.01 -0.00 0.01 -0.04 1.69 1.66 3k7tA1 LYS 241 HD3 0.00 0.01 0.02 -0.04 1.68 1.68 3k7tA1 LYS 241 HE2 0.01 -0.11 0.06 -0.04 2.99 2.90 3k7tA1 LYS 241 HE3 0.01 0.01 0.04 -0.04 2.99 3.01 3k7tA1 ASP 242 H 0.03 0.08 -0.17 -0.55 8.40 7.80 3k7tA1 ASP 242 HA 0.02 0.06 0.45 -0.75 4.63 4.41 3k7tA1 ASP 242 HB2 0.03 0.01 0.12 -0.04 2.71 2.83 3k7tA1 ASP 242 HB3 0.05 -0.00 0.15 -0.04 2.70 2.85 3k7tA1 GLY 243 H 0.02 0.73 0.33 -0.55 8.43 8.96 3k7tA1 GLY 243 HA2 0.01 -0.02 0.45 -0.51 4.01 3.95 3k7tA1 GLY 243 HA3 0.01 -0.09 0.13 -0.51 4.01 3.55 3k7tA1 HIS 244 H 0.11 1.16 0.81 -0.55 8.41 9.95 3k7tA1 HIS 244 HA -0.10 -0.04 0.17 -0.75 4.63 3.92 3k7tA1 HIS 244 HB2 -0.07 0.00 0.19 -0.04 3.26 3.35 3k7tA1 HIS 244 HB3 -0.06 -0.03 0.01 -0.04 3.20 3.08 3k7tA1 HIS 244 HD2 -0.09 -0.02 0.02 -0.04 6.97 6.84 3k7tA1 HIS 244 HE1 -0.48 0.08 0.09 -0.04 7.75 7.40 3k7tA1 ALA 245 H 1.05 0.22 0.22 -0.55 8.40 9.34 3k7tA1 ALA 245 HA 0.05 0.13 0.60 -0.75 4.34 4.37 3k7tA1 ALA 245 HB3 0.03 0.03 -0.04 -0.04 1.41 1.39 3k7tA1 PHE 246 H 0.24 0.80 0.35 -0.55 8.34 9.18 3k7tA1 PHE 246 HA 0.10 0.21 1.02 -0.75 4.62 5.20 3k7tA1 PHE 246 HB2 -0.04 -0.02 -0.03 -0.04 3.15 3.02 3k7tA1 PHE 246 HB3 0.06 0.01 0.05 -0.04 3.06 3.15 3k7tA1 PHE 246 HD2 -0.00 0.06 -0.10 -0.04 7.28 7.20 3k7tA1 PHE 246 HE2 -0.18 -0.00 -0.16 -0.04 7.38 7.00 3k7tA1 PHE 246 HZ -0.33 -0.01 -0.12 -0.04 7.32 6.82 3k7tA1 GLN 247 H 0.29 0.26 0.19 -0.55 8.47 8.66 3k7tA1 GLN 247 HA 0.08 0.32 1.13 -0.75 4.36 5.13 3k7tA1 GLN 247 HB2 0.04 0.00 0.04 -0.04 2.15 2.19 3k7tA1 GLN 247 HB3 -0.00 0.03 -0.09 -0.04 2.02 1.92 3k7tA1 GLN 247 HG2 0.01 -0.02 -0.17 -0.04 2.40 2.18 3k7tA1 GLN 247 HG3 0.04 0.10 -0.43 -0.04 2.39 2.06 3k7tA1 GLN 247 HE21 -0.01 0.03 -0.13 -0.04 6.97 6.83 3k7tA1 GLN 247 HE22 0.01 -0.01 -0.22 -0.04 7.69 7.42 3k7tA1 ALA 248 H 0.02 0.78 0.28 -0.55 8.40 8.93 3k7tA1 ALA 248 HA 0.00 0.24 0.55 -0.75 4.34 4.37 3k7tA1 ALA 248 HB3 0.08 -0.01 -0.26 -0.04 1.41 1.19 3k7tA1 HIS 249 H 0.03 0.39 0.18 -0.55 8.41 8.47 3k7tA1 HIS 249 HA 0.03 -0.01 0.59 -0.75 4.63 4.49 3k7tA1 HIS 249 HB2 0.04 0.15 0.32 -0.04 3.26 3.73 3k7tA1 HIS 249 HB3 0.03 0.00 0.11 -0.04 3.20 3.30 3k7tA1 HIS 249 HD2 0.03 0.02 0.09 -0.04 6.97 7.06 3k7tA1 HIS 249 HE1 0.01 -0.04 -0.02 -0.04 7.75 7.66 3k7tA1 SER 250 H 0.14 0.44 0.19 -0.55 8.46 8.68 3k7tA1 SER 250 HA 0.07 0.24 0.95 -0.75 4.49 4.99 3k7tA1 SER 250 HB2 0.20 0.03 0.07 -0.04 3.95 4.21 3k7tA1 SER 250 HB3 0.13 0.02 0.05 -0.04 3.93 4.09 3k7tA1 VAL 251 H 0.03 0.65 0.22 -0.55 8.24 8.60 3k7tA1 VAL 251 HA -0.00 0.12 1.03 -0.75 4.13 4.52 3k7tA1 VAL 251 HB -0.04 -0.04 -0.02 -0.04 2.12 1.98 3k7tA1 VAL 251 HG13 -0.06 -0.00 -0.22 -0.04 0.97 0.65 3k7tA1 VAL 251 HG23 -0.00 -0.00 -0.34 -0.04 0.95 0.57 3k7tA1 ILE 252 H -0.02 0.66 0.25 -0.55 8.25 8.59 3k7tA1 ILE 252 HA -0.02 0.13 0.85 -0.75 4.18 4.39 3k7tA1 ILE 252 HB -0.03 -0.07 0.09 -0.04 1.89 1.84 3k7tA1 ILE 252 HG12 -0.01 -0.00 -0.25 -0.04 1.49 1.19 3k7tA1 ILE 252 HG13 -0.04 -0.01 -0.20 -0.04 1.21 0.92 3k7tA1 ILE 252 HG23 -0.00 -0.02 -0.26 -0.04 0.93 0.60 3k7tA1 ILE 252 HD13 -0.10 0.03 -0.19 -0.04 0.88 0.58 3k7tA1 VAL 253 H -0.18 0.70 0.23 -0.55 8.24 8.44 3k7tA1 VAL 253 HA -0.01 0.11 1.02 -0.75 4.13 4.49 3k7tA1 VAL 253 HB -0.56 0.10 0.32 -0.04 2.12 1.94 3k7tA1 VAL 253 HG13 0.18 -0.02 -0.02 -0.04 0.97 1.07 3k7tA1 VAL 253 HG23 -0.26 0.01 -0.11 -0.04 0.95 0.55 3k7tA1 ALA 254 H 0.06 0.74 0.15 -0.55 8.40 8.81 3k7tA1 ALA 254 HA 0.17 0.22 0.71 -0.75 4.34 4.69 3k7tA1 ALA 254 HB3 0.07 -0.03 -0.10 -0.04 1.41 1.30 3k7tA1 THR 255 H 0.38 0.22 -0.29 -0.55 8.28 8.04 3k7tA1 THR 255 HA 0.09 0.06 0.91 -0.75 4.39 4.69 3k7tA1 THR 255 HB 0.11 0.10 0.04 -0.04 4.32 4.53 3k7tA1 THR 255 HG23 0.09 -0.01 -0.15 -0.04 1.22 1.11 3k7tA1 PRO 256 HA -0.09 -0.07 0.47 -0.51 4.44 4.24 3k7tA1 PRO 256 HB2 -0.03 0.08 0.01 -0.04 2.28 2.30 3k7tA1 PRO 256 HB3 0.06 -0.00 0.16 -0.04 2.02 2.20 3k7tA1 PRO 256 HG2 -0.07 0.09 0.06 -0.04 2.03 2.07 3k7tA1 PRO 256 HG3 -0.03 0.07 0.26 -0.04 2.03 2.29 3k7tA1 PRO 256 HD2 -0.08 0.13 0.29 -0.04 3.68 3.97 3k7tA1 PRO 256 HD3 -0.03 -0.00 0.25 -0.04 3.65 3.83 3k7tA1 MET 257 H -0.42 0.06 0.14 -0.55 8.47 7.70 3k7tA1 MET 257 HA -2.51 0.15 0.34 -0.75 4.52 1.74 3k7tA1 MET 257 HB2 -0.66 -0.04 0.06 -0.04 2.15 1.48 3k7tA1 MET 257 HB3 -0.34 -0.03 0.06 -0.04 2.03 1.68 3k7tA1 MET 257 HG2 -0.23 0.03 -0.09 -0.04 2.63 2.29 3k7tA1 MET 257 HG3 -0.90 0.05 0.03 -0.04 2.56 1.71 3k7tA1 MET 257 HE3 0.07 -0.02 -0.05 -0.04 2.10 2.06 3k7tA1 ASN 258 H -0.14 0.08 -0.21 -0.55 8.53 7.72 3k7tA1 ASN 258 HA -0.05 0.14 0.49 -0.75 4.76 4.58 3k7tA1 ASN 258 HB2 0.02 0.09 0.00 -0.04 2.88 2.96 3k7tA1 ASN 258 HB3 -0.02 0.09 0.12 -0.04 2.79 2.94 3k7tA1 ASN 258 HD21 -0.54 0.12 0.14 -0.04 7.03 6.71 3k7tA1 ASN 258 HD22 -0.17 0.68 0.21 -0.04 7.74 8.43 3k7tA1 THR 259 H -0.20 0.31 -0.61 -0.55 8.28 7.23 3k7tA1 THR 259 HA 0.05 0.24 0.85 -0.75 4.39 4.78 3k7tA1 THR 259 HB 0.05 -0.04 0.03 -0.04 4.32 4.32 3k7tA1 THR 259 HG23 -0.01 0.06 -0.49 -0.04 1.22 0.73 3k7tA1 TRP 260 H 0.05 0.32 -0.11 -0.55 7.97 7.68 3k7tA1 TRP 260 HA 0.23 0.05 0.43 -0.75 4.62 4.58 3k7tA1 TRP 260 HB2 0.10 0.11 0.09 -0.04 3.23 3.48 3k7tA1 TRP 260 HB3 0.23 -0.01 0.01 -0.04 3.23 3.42 3k7tA1 TRP 260 HD1 0.22 -0.06 -0.18 -0.04 7.22 7.16 3k7tA1 TRP 260 HE1 0.22 0.05 -0.09 -0.04 10.20 10.34 3k7tA1 TRP 260 HE3 -0.12 -0.00 0.01 -0.04 7.59 7.43 3k7tA1 TRP 260 HZ2 0.18 0.05 -0.09 -0.04 7.44 7.54 3k7tA1 TRP 260 HZ3 -0.17 -0.06 -0.03 -0.04 7.13 6.83 3k7tA1 TRP 260 HH2 -0.02 -0.01 -0.19 -0.04 7.19 6.93 3k7tA1 ARG 261 H 0.22 0.19 -0.31 -0.55 8.46 8.01 3k7tA1 ARG 261 HA 0.21 0.07 0.34 -0.75 4.34 4.21 3k7tA1 ARG 261 HB2 0.09 -0.03 0.01 -0.04 1.90 1.92 3k7tA1 ARG 261 HB3 0.12 0.07 -0.11 -0.04 1.80 1.84 3k7tA1 ARG 261 HG2 0.09 -0.09 -0.16 -0.04 1.67 1.47 3k7tA1 ARG 261 HG3 0.07 -0.03 -0.17 -0.04 1.67 1.50 3k7tA1 ARG 261 HD2 0.04 0.01 0.05 -0.04 3.22 3.27 3k7tA1 ARG 261 HD3 0.05 0.23 0.06 -0.04 3.22 3.52 3k7tA1 ARG 262 H 0.14 0.21 -0.54 -0.55 8.46 7.71 3k7tA1 ARG 262 HA 0.05 0.07 0.51 -0.75 4.34 4.21 3k7tA1 ARG 262 HB2 0.06 0.12 0.00 -0.04 1.90 2.04 3k7tA1 ARG 262 HB3 0.03 -0.07 0.10 -0.04 1.80 1.82 3k7tA1 ARG 262 HG2 0.07 -0.03 -0.02 -0.04 1.67 1.65 3k7tA1 ARG 262 HG3 0.04 0.01 0.04 -0.04 1.67 1.72 3k7tA1 ARG 262 HD2 0.03 -0.06 -0.00 -0.04 3.22 3.15 3k7tA1 ARG 262 HD3 0.04 0.02 -0.12 -0.04 3.22 3.12 3k7tA1 ILE 263 H 0.13 0.32 -0.49 -0.55 8.25 7.66 3k7tA1 ILE 263 HA -0.09 0.27 0.64 -0.75 4.18 4.24 3k7tA1 ILE 263 HB -0.03 0.12 0.06 -0.04 1.89 2.00 3k7tA1 ILE 263 HG12 -0.05 0.04 -0.29 -0.04 1.49 1.15 3k7tA1 ILE 263 HG13 0.05 0.00 -0.24 -0.04 1.21 0.99 3k7tA1 ILE 263 HG23 -0.72 -0.06 -0.40 -0.04 0.93 -0.28 3k7tA1 ILE 263 HD13 0.15 -0.04 -0.11 -0.04 0.88 0.84 3k7tA1 VAL 264 H -0.13 0.56 0.29 -0.55 8.24 8.40 3k7tA1 VAL 264 HA 0.00 0.11 0.71 -0.75 4.13 4.19 3k7tA1 VAL 264 HB -0.01 -0.03 -0.05 -0.04 2.12 1.99 3k7tA1 VAL 264 HG13 0.01 0.01 -0.03 -0.04 0.97 0.92 3k7tA1 VAL 264 HG23 -0.05 0.05 0.14 -0.04 0.95 1.05 3k7tA1 PHE 265 H 0.20 0.18 0.19 -0.55 8.34 8.35 3k7tA1 PHE 265 HA 0.02 0.32 0.88 -0.75 4.62 5.08 3k7tA1 PHE 265 HB2 0.03 -0.15 0.15 -0.04 3.15 3.14 3k7tA1 PHE 265 HB3 0.03 0.15 -0.03 -0.04 3.06 3.16 3k7tA1 PHE 265 HD2 0.04 0.06 0.02 -0.04 7.28 7.35 3k7tA1 PHE 265 HE2 0.02 0.08 -0.02 -0.04 7.38 7.42 3k7tA1 PHE 265 HZ 0.08 -0.05 -0.05 -0.04 7.32 7.25 3k7tA1 THR 266 H 0.11 0.49 0.26 -0.55 8.28 8.59 3k7tA1 THR 266 HA 0.07 -0.00 0.69 -0.75 4.39 4.40 3k7tA1 THR 266 HB 0.03 -0.09 0.12 -0.04 4.32 4.34 3k7tA1 THR 266 HG23 0.03 -0.00 -0.05 -0.04 1.22 1.15 3k7tA1 PRO 267 HA 0.04 0.01 0.36 -0.51 4.44 4.35 3k7tA1 PRO 267 HB2 0.02 0.11 -0.03 -0.04 2.28 2.34 3k7tA1 PRO 267 HB3 0.02 -0.01 0.09 -0.04 2.02 2.08 3k7tA1 PRO 267 HG2 0.02 0.06 -0.02 -0.04 2.03 2.06 3k7tA1 PRO 267 HG3 0.01 0.04 0.06 -0.04 2.03 2.10 3k7tA1 PRO 267 HD2 0.03 0.13 0.34 -0.04 3.68 4.15 3k7tA1 PRO 267 HD3 0.03 0.10 0.04 -0.04 3.65 3.77 3k7tA1 ALA 268 H 0.04 0.02 0.11 -0.55 8.40 8.02 3k7tA1 ALA 268 HA 0.11 0.12 0.34 -0.75 4.34 4.15 3k7tA1 ALA 268 HB3 0.04 -0.00 0.10 -0.04 1.41 1.51 3k7tA1 LEU 269 H -0.02 0.07 0.14 -0.55 8.37 8.01 3k7tA1 LEU 269 HA -0.12 0.13 0.43 -0.75 4.35 4.03 3k7tA1 LEU 269 HB2 -0.20 -0.04 0.12 -0.04 1.64 1.48 3k7tA1 LEU 269 HB3 -0.22 -0.01 -0.07 -0.04 1.64 1.30 3k7tA1 LEU 269 HG -0.45 0.04 0.04 -0.04 1.64 1.23 3k7tA1 LEU 269 HD13 -0.58 0.01 0.00 -0.04 0.93 0.32 3k7tA1 LEU 269 HD23 -0.89 -0.00 -0.03 -0.04 0.89 -0.08 3k7tA1 PRO 270 HA -0.04 0.06 0.38 -0.51 4.44 4.33 3k7tA1 PRO 270 HB2 -0.07 -0.11 0.03 -0.04 2.28 2.08 3k7tA1 PRO 270 HB3 -0.05 0.00 0.11 -0.04 2.02 2.04 3k7tA1 PRO 270 HG2 -0.09 0.13 0.07 -0.04 2.03 2.10 3k7tA1 PRO 270 HG3 -0.05 0.08 0.11 -0.04 2.03 2.12 3k7tA1 PRO 270 HD2 -0.16 0.12 0.17 -0.04 3.68 3.77 3k7tA1 PRO 270 HD3 -0.09 0.23 0.20 -0.04 3.65 3.95 3k7tA1 GLU 271 H -0.02 0.17 0.17 -0.55 8.60 8.37 3k7tA1 GLU 271 HA -0.01 0.12 0.36 -0.75 4.29 4.01 3k7tA1 GLU 271 HB2 -0.01 0.06 0.14 -0.04 2.09 2.24 3k7tA1 GLU 271 HB3 -0.01 -0.02 0.10 -0.04 1.99 2.02 3k7tA1 GLU 271 HG2 -0.00 0.02 -0.00 -0.04 2.34 2.31 3k7tA1 GLU 271 HG3 -0.00 -0.00 -0.12 -0.04 2.34 2.18 3k7tA1 ARG 272 H -0.02 0.08 -0.19 -0.55 8.46 7.77 3k7tA1 ARG 272 HA -0.01 0.09 0.40 -0.75 4.34 4.07 3k7tA1 ARG 272 HB2 -0.03 -0.03 0.02 -0.04 1.90 1.82 3k7tA1 ARG 272 HB3 -0.02 -0.00 -0.10 -0.04 1.80 1.63 3k7tA1 ARG 272 HG2 -0.01 0.07 0.02 -0.04 1.67 1.71 3k7tA1 ARG 272 HG3 -0.01 -0.02 0.02 -0.04 1.67 1.62 3k7tA1 ARG 272 HD2 -0.02 0.00 0.00 -0.04 3.22 3.16 3k7tA1 ARG 272 HD3 -0.01 0.04 0.01 -0.04 3.22 3.22 3k7tA1 ARG 273 H -0.05 0.36 -0.41 -0.55 8.46 7.81 3k7tA1 ARG 273 HA -0.02 0.03 0.33 -0.75 4.34 3.92 3k7tA1 ARG 273 HB2 -0.12 0.18 -0.08 -0.04 1.90 1.84 3k7tA1 ARG 273 HB3 -0.11 -0.01 -0.08 -0.04 1.80 1.56 3k7tA1 ARG 273 HG2 -0.09 -0.15 -0.27 -0.04 1.67 1.12 3k7tA1 ARG 273 HG3 -0.10 -0.08 -0.11 -0.04 1.67 1.34 3k7tA1 ARG 273 HD2 -0.31 0.01 -0.07 -0.04 3.22 2.81 3k7tA1 ARG 273 HD3 -0.24 0.00 -0.20 -0.04 3.22 2.73 3k7tA1 ARG 274 H -0.02 0.29 -0.24 -0.55 8.46 7.94 3k7tA1 ARG 274 HA -0.00 0.04 0.02 -0.75 4.34 3.65 3k7tA1 ARG 274 HB2 -0.01 0.06 0.09 -0.04 1.90 2.00 3k7tA1 ARG 274 HB3 0.01 -0.02 0.05 -0.04 1.80 1.80 3k7tA1 ARG 274 HG2 0.03 -0.03 -0.05 -0.04 1.67 1.58 3k7tA1 ARG 274 HG3 0.01 0.01 -0.01 -0.04 1.67 1.65 3k7tA1 ARG 274 HD2 0.01 -0.05 -0.01 -0.04 3.22 3.13 3k7tA1 ARG 274 HD3 0.02 -0.03 -0.02 -0.04 3.22 3.16 3k7tA1 SER 275 H 0.02 0.20 -0.21 -0.55 8.46 7.92 3k7tA1 SER 275 HA 0.03 0.07 0.05 -0.75 4.49 3.88 3k7tA1 SER 275 HB2 0.02 0.01 0.00 -0.04 3.95 3.94 3k7tA1 SER 275 HB3 0.02 0.01 0.06 -0.04 3.93 3.98 3k7tA1 VAL 276 H 0.04 0.24 -0.07 -0.55 8.24 7.90 3k7tA1 VAL 276 HA 0.04 0.06 0.45 -0.75 4.13 3.92 3k7tA1 VAL 276 HB 0.07 0.11 0.07 -0.04 2.12 2.32 3k7tA1 VAL 276 HG13 0.14 -0.00 -0.11 -0.04 0.97 0.95 3k7tA1 VAL 276 HG23 0.06 0.01 0.07 -0.04 0.95 1.05 3k7tA1 ILE 277 H 0.07 0.40 -0.22 -0.55 8.25 7.95 3k7tA1 ILE 277 HA 0.10 -0.00 0.43 -0.75 4.18 3.95 3k7tA1 ILE 277 HB 0.11 0.19 0.02 -0.04 1.89 2.17 3k7tA1 ILE 277 HG12 0.35 -0.05 -0.02 -0.04 1.49 1.73 3k7tA1 ILE 277 HG13 0.11 0.02 -0.02 -0.04 1.21 1.27 3k7tA1 ILE 277 HG23 0.29 0.01 -0.13 -0.04 0.93 1.06 3k7tA1 ILE 277 HD13 -0.02 -0.01 -0.14 -0.04 0.88 0.67 3k7tA1 GLU 278 H 0.06 0.28 -0.20 -0.55 8.60 8.19 3k7tA1 GLU 278 HA 0.07 0.06 0.39 -0.75 4.29 4.05 3k7tA1 GLU 278 HB2 0.05 0.04 0.11 -0.04 2.09 2.25 3k7tA1 GLU 278 HB3 0.03 0.00 -0.02 -0.04 1.99 1.96 3k7tA1 GLU 278 HG2 0.05 0.03 0.06 -0.04 2.34 2.43 3k7tA1 GLU 278 HG3 0.06 0.01 0.02 -0.04 2.34 2.38 3k7tA1 GLU 279 H 0.03 0.28 -0.11 -0.55 8.60 8.25 3k7tA1 GLU 279 HA 0.00 0.08 0.67 -0.75 4.29 4.28 3k7tA1 GLU 279 HB2 -0.01 -0.03 0.07 -0.04 2.09 2.08 3k7tA1 GLU 279 HB3 0.00 -0.07 0.08 -0.04 1.99 1.96 3k7tA1 GLU 279 HG2 0.02 0.20 0.21 -0.04 2.34 2.72 3k7tA1 GLU 279 HG3 0.00 0.12 -0.01 -0.04 2.34 2.41 3k7tA1 GLY 280 H 0.02 0.35 -0.22 -0.55 8.43 8.03 3k7tA1 GLY 280 HA2 0.01 -0.05 0.32 -0.51 4.01 3.78 3k7tA1 GLY 280 HA3 -0.05 0.14 0.33 -0.51 4.01 3.92 3k7tA1 HIS 281 H 0.11 0.03 0.10 -0.55 8.41 8.10 3k7tA1 HIS 281 HA -0.19 -0.06 0.59 -0.75 4.63 4.22 3k7tA1 HIS 281 HB2 -0.38 -0.05 -0.29 -0.04 3.26 2.51 3k7tA1 HIS 281 HB3 -0.18 0.01 0.03 -0.04 3.20 3.01 3k7tA1 HIS 281 HD2 -0.14 -0.01 0.03 -0.04 6.97 6.80 3k7tA1 HIS 281 HE1 -0.16 0.23 -0.18 -0.04 7.75 7.60 3k7tA1 GLY 282 H -0.17 0.03 0.16 -0.55 8.43 7.91 3k7tA1 GLY 282 HA2 -0.19 0.18 0.45 -0.51 4.01 3.94 3k7tA1 GLY 282 HA3 -0.13 -0.07 0.32 -0.51 4.01 3.62 3k7tA1 GLY 283 H -0.53 0.12 -0.52 -0.55 8.43 6.95 3k7tA1 GLY 283 HA2 -0.16 0.12 0.64 -0.51 4.01 4.10 3k7tA1 GLY 283 HA3 -0.12 0.06 0.41 -0.51 4.01 3.84 3k7tA1 GLN 284 H -0.14 0.43 0.35 -0.55 8.47 8.56 3k7tA1 GLN 284 HA -0.10 0.17 0.96 -0.75 4.36 4.63 3k7tA1 GLN 284 HB2 0.01 0.18 0.27 -0.04 2.15 2.57 3k7tA1 GLN 284 HB3 0.02 -0.42 0.32 -0.04 2.02 1.90 3k7tA1 GLN 284 HG2 -0.04 -0.01 0.01 -0.04 2.40 2.31 3k7tA1 GLN 284 HG3 -0.09 0.11 -0.41 -0.04 2.39 1.96 3k7tA1 GLN 284 HE21 -0.02 -0.07 0.05 -0.04 6.97 6.88 3k7tA1 GLN 284 HE22 -0.03 0.24 0.08 -0.04 7.69 7.95 3k7tA1 GLY 285 H -0.46 0.09 0.16 -0.55 8.43 7.67 3k7tA1 GLY 285 HA2 -0.08 0.14 0.60 -0.51 4.01 4.16 3k7tA1 GLY 285 HA3 -0.83 0.03 0.42 -0.51 4.01 3.12 3k7tA1 LEU 286 H 0.07 0.82 0.46 -0.55 8.37 9.17 3k7tA1 LEU 286 HA 0.10 0.07 0.97 -0.75 4.35 4.74 3k7tA1 LEU 286 HB2 0.04 0.00 -0.30 -0.04 1.64 1.35 3k7tA1 LEU 286 HB3 -0.02 -0.08 -0.25 -0.04 1.64 1.25 3k7tA1 LEU 286 HG -0.05 -0.01 -0.23 -0.04 1.64 1.30 3k7tA1 LEU 286 HD13 0.05 -0.01 0.01 -0.04 0.93 0.94 3k7tA1 LEU 286 HD23 0.10 0.00 -0.23 -0.04 0.89 0.73 3k7tA1 LYS 287 H 0.08 0.17 0.18 -0.55 8.42 8.30 3k7tA1 LYS 287 HA -0.59 0.41 1.16 -0.75 4.32 4.55 3k7tA1 LYS 287 HB2 -0.14 0.00 0.02 -0.04 1.87 1.70 3k7tA1 LYS 287 HB3 0.06 -0.02 0.26 -0.04 1.79 2.05 3k7tA1 LYS 287 HG2 -0.32 -0.08 -0.19 -0.04 1.46 0.83 3k7tA1 LYS 287 HG3 -1.07 0.03 0.00 -0.04 1.46 0.38 3k7tA1 LYS 287 HD2 0.15 -0.04 0.04 -0.04 1.69 1.81 3k7tA1 LYS 287 HD3 0.10 0.20 0.14 -0.04 1.68 2.09 3k7tA1 LYS 287 HE2 -0.12 -0.07 -0.01 -0.04 2.99 2.75 3k7tA1 LYS 287 HE3 -0.00 -0.09 -0.03 -0.04 2.99 2.83 3k7tA1 ILE 288 H -0.47 0.58 0.29 -0.55 8.25 8.10 3k7tA1 ILE 288 HA -0.07 0.17 1.00 -0.75 4.18 4.52 3k7tA1 ILE 288 HB -0.28 -0.02 0.03 -0.04 1.89 1.59 3k7tA1 ILE 288 HG12 -0.32 0.04 -0.24 -0.04 1.49 0.93 3k7tA1 ILE 288 HG13 -0.11 0.01 -0.17 -0.04 1.21 0.89 3k7tA1 ILE 288 HG23 -0.02 -0.01 -0.18 -0.04 0.93 0.68 3k7tA1 ILE 288 HD13 -0.32 0.02 -0.28 -0.04 0.88 0.26 3k7tA1 LEU 289 H -0.07 0.75 0.33 -0.55 8.37 8.84 3k7tA1 LEU 289 HA -0.20 0.20 0.95 -0.75 4.35 4.55 3k7tA1 LEU 289 HB2 -0.12 -0.04 0.27 -0.04 1.64 1.71 3k7tA1 LEU 289 HB3 -0.20 -0.05 -0.01 -0.04 1.64 1.34 3k7tA1 LEU 289 HG -0.23 0.06 -0.05 -0.04 1.64 1.37 3k7tA1 LEU 289 HD13 -0.25 -0.00 -0.14 -0.04 0.93 0.50 3k7tA1 LEU 289 HD23 -0.73 0.01 -0.09 -0.04 0.89 0.05 3k7tA1 ILE 290 H -0.08 0.86 0.34 -0.55 8.25 8.82 3k7tA1 ILE 290 HA 0.04 0.08 0.69 -0.75 4.18 4.23 3k7tA1 ILE 290 HB 0.01 -0.08 0.09 -0.04 1.89 1.88 3k7tA1 ILE 290 HG12 -0.08 0.20 0.07 -0.04 1.49 1.64 3k7tA1 ILE 290 HG13 0.03 -0.01 -0.07 -0.04 1.21 1.13 3k7tA1 ILE 290 HG23 0.05 0.01 -0.12 -0.04 0.93 0.83 3k7tA1 ILE 290 HD13 0.06 -0.03 -0.14 -0.04 0.88 0.73 3k7tA1 HIS 291 H 0.13 0.73 0.38 -0.55 8.41 9.11 3k7tA1 HIS 291 HA 0.02 0.19 0.91 -0.75 4.63 4.99 3k7tA1 HIS 291 HB2 0.01 -0.03 -0.01 -0.04 3.26 3.19 3k7tA1 HIS 291 HB3 0.02 -0.11 0.16 -0.04 3.20 3.22 3k7tA1 HIS 291 HD2 0.03 0.06 -0.05 -0.04 6.97 6.97 3k7tA1 HIS 291 HE1 0.01 0.02 -0.10 -0.04 7.75 7.64 3k7tA1 VAL 292 H -0.10 0.62 0.38 -0.55 8.24 8.59 3k7tA1 VAL 292 HA -0.10 0.24 1.08 -0.75 4.13 4.59 3k7tA1 VAL 292 HB -0.02 0.03 -0.09 -0.04 2.12 2.00 3k7tA1 VAL 292 HG13 0.01 0.00 -0.36 -0.04 0.97 0.57 3k7tA1 VAL 292 HG23 0.00 0.00 -0.20 -0.04 0.95 0.72 3k7tA1 ARG 293 H -0.06 0.61 0.28 -0.55 8.46 8.73 3k7tA1 ARG 293 HA -0.06 0.11 0.73 -0.75 4.34 4.37 3k7tA1 ARG 293 HB2 -0.10 0.01 -0.12 -0.04 1.90 1.65 3k7tA1 ARG 293 HB3 -0.04 0.03 0.06 -0.04 1.80 1.81 3k7tA1 ARG 293 HG2 -0.02 0.03 -0.12 -0.04 1.67 1.52 3k7tA1 ARG 293 HG3 -0.03 -0.07 -0.04 -0.04 1.67 1.48 3k7tA1 ARG 293 HD2 -0.02 0.03 -0.06 -0.04 3.22 3.13 3k7tA1 ARG 293 HD3 -0.01 -0.01 -0.05 -0.04 3.22 3.11 3k7tA1 GLY 294 H -0.02 0.27 0.12 -0.55 8.43 8.25 3k7tA1 GLY 294 HA2 -0.00 0.02 0.28 -0.51 4.01 3.80 3k7tA1 GLY 294 HA3 -0.00 0.20 0.68 -0.51 4.01 4.38 3k7tA1 ALA 295 H -0.00 0.16 -0.03 -0.55 8.40 7.98 3k7tA1 ALA 295 HA 0.01 0.14 0.83 -0.75 4.34 4.58 3k7tA1 ALA 295 HB3 0.02 0.00 -0.14 -0.04 1.41 1.25 3k7tA1 GLU 296 H 0.01 0.10 0.03 -0.55 8.60 8.20 3k7tA1 GLU 296 HA 0.01 0.18 0.54 -0.75 4.29 4.26 3k7tA1 GLU 296 HB2 0.01 -0.03 0.11 -0.04 2.09 2.14 3k7tA1 GLU 296 HB3 0.01 0.03 0.02 -0.04 1.99 2.02 3k7tA1 GLU 296 HG2 0.01 -0.04 -0.01 -0.04 2.34 2.26 3k7tA1 GLU 296 HG3 0.01 0.00 -0.29 -0.04 2.34 2.01 3k7tA1 ALA 297 H 0.01 0.15 0.11 -0.55 8.40 8.12 3k7tA1 ALA 297 HA 0.03 0.09 0.66 -0.75 4.34 4.37 3k7tA1 ALA 297 HB3 0.01 0.03 0.05 -0.04 1.41 1.46 3k7tA1 GLY 298 H 0.07 0.14 0.17 -0.55 8.43 8.26 3k7tA1 GLY 298 HA2 0.12 0.15 0.35 -0.51 4.01 4.12 3k7tA1 GLY 298 HA3 0.02 0.06 0.55 -0.51 4.01 4.13 3k7tA1 ILE 299 H 0.12 0.08 0.02 -0.55 8.25 7.91 3k7tA1 ILE 299 HA -0.10 0.21 0.64 -0.75 4.18 4.19 3k7tA1 ILE 299 HB 0.04 -0.03 -0.07 -0.04 1.89 1.80 3k7tA1 ILE 299 HG12 0.00 -0.01 -0.25 -0.04 1.49 1.19 3k7tA1 ILE 299 HG13 0.04 -0.01 -0.28 -0.04 1.21 0.91 3k7tA1 ILE 299 HG23 -0.02 0.00 -0.24 -0.04 0.93 0.64 3k7tA1 ILE 299 HD13 0.03 -0.05 -0.09 -0.04 0.88 0.73 3k7tA1 GLU 300 H -0.23 0.44 0.16 -0.55 8.60 8.42 3k7tA1 GLU 300 HA -0.14 0.11 0.81 -0.75 4.29 4.31 3k7tA1 GLU 300 HB2 -0.80 0.01 -0.12 -0.04 2.09 1.14 3k7tA1 GLU 300 HB3 0.04 0.01 0.10 -0.04 1.99 2.10 3k7tA1 GLU 300 HG2 0.10 -0.05 -0.25 -0.04 2.34 2.10 3k7tA1 GLU 300 HG3 -0.54 0.01 -0.05 -0.04 2.34 1.72 3k7tA1 CYS 301 H -0.02 0.59 0.06 -0.55 8.50 8.59 3k7tA1 CYS 301 HA 0.15 0.08 0.72 -0.75 4.58 4.78 3k7tA1 CYS 301 HB2 -0.29 0.03 0.25 -0.04 2.97 2.92 3k7tA1 CYS 301 HB3 -0.06 0.07 0.05 -0.04 2.97 2.99 3k7tA1 VAL 302 H 0.60 0.20 -0.03 -0.55 8.24 8.46 3k7tA1 VAL 302 HA -0.15 0.37 1.08 -0.75 4.13 4.68 3k7tA1 VAL 302 HB 0.10 -0.03 0.19 -0.04 2.12 2.33 3k7tA1 VAL 302 HG13 -0.43 0.03 -0.03 -0.04 0.97 0.50 3k7tA1 VAL 302 HG23 -0.06 -0.02 -0.12 -0.04 0.95 0.71 3k7tA1 GLY 303 H 0.16 0.49 0.09 -0.55 8.43 8.63 3k7tA1 GLY 303 HA2 0.27 0.07 0.74 -0.51 4.01 4.58 3k7tA1 GLY 303 HA3 0.54 -0.07 0.31 -0.51 4.01 4.28 3k7tA1 ASP 304 H 0.31 0.01 0.16 -0.55 8.40 8.34 3k7tA1 ASP 304 HA 0.19 0.21 0.86 -0.75 4.63 5.13 3k7tA1 ASP 304 HB2 0.11 -0.02 0.13 -0.04 2.71 2.89 3k7tA1 ASP 304 HB3 0.14 0.01 -0.14 -0.04 2.70 2.67 3k7tA1 GLY 305 H 0.19 -0.05 0.03 -0.55 8.43 8.06 3k7tA1 GLY 305 HA2 -0.35 0.12 0.35 -0.51 4.01 3.61 3k7tA1 GLY 305 HA3 -0.44 0.03 0.32 -0.51 4.01 3.40 3k7tA1 ILE 306 H -0.16 0.15 0.10 -0.55 8.25 7.78 3k7tA1 ILE 306 HA 0.32 0.11 0.46 -0.75 4.18 4.32 3k7tA1 ILE 306 HB -0.03 -0.01 0.10 -0.04 1.89 1.91 3k7tA1 ILE 306 HG12 0.21 0.01 0.00 -0.04 1.49 1.67 3k7tA1 ILE 306 HG13 0.21 0.02 -0.03 -0.04 1.21 1.37 3k7tA1 ILE 306 HG23 -0.24 -0.01 -0.16 -0.04 0.93 0.48 3k7tA1 ILE 306 HD13 0.45 -0.00 -0.05 -0.04 0.88 1.23 3k7tA1 PHE 307 H 0.07 0.00 -0.39 -0.55 8.34 7.47 3k7tA1 PHE 307 HA -0.44 0.27 0.73 -0.75 4.62 4.43 3k7tA1 PHE 307 HB2 -0.05 -0.01 0.03 -0.04 3.15 3.08 3k7tA1 PHE 307 HB3 -0.28 0.05 -0.09 -0.04 3.06 2.70 3k7tA1 PHE 307 HD2 -0.39 0.14 -0.33 -0.04 7.28 6.65 3k7tA1 PHE 307 HE2 -1.29 -0.02 -0.15 -0.04 7.38 5.88 3k7tA1 PHE 307 HZ -0.71 -0.04 -0.14 -0.04 7.32 6.38 3k7tA1 PRO 308 HA 0.05 -0.05 0.14 -0.51 4.44 4.08 3k7tA1 PRO 308 HB2 -0.16 0.13 -0.01 -0.04 2.28 2.20 3k7tA1 PRO 308 HB3 0.16 -0.01 0.06 -0.04 2.02 2.19 3k7tA1 PRO 308 HG2 -0.50 0.12 0.05 -0.04 2.03 1.65 3k7tA1 PRO 308 HG3 -1.07 -0.07 -0.06 -0.04 2.03 0.79 3k7tA1 PRO 308 HD2 -0.73 0.29 0.30 -0.04 3.68 3.50 3k7tA1 PRO 308 HD3 -1.12 0.13 -0.17 -0.04 3.65 2.44 3k7tA1 THR 309 H -0.32 0.30 -0.13 -0.55 8.28 7.58 3k7tA1 THR 309 HA -0.34 0.23 0.94 -0.75 4.39 4.47 3k7tA1 THR 309 HB -0.18 -0.01 -0.06 -0.04 4.32 4.03 3k7tA1 THR 309 HG23 -1.22 -0.00 -0.21 -0.04 1.22 -0.26 3k7tA1 LEU 310 H -0.26 0.65 0.17 -0.55 8.37 8.39 3k7tA1 LEU 310 HA -0.32 0.25 0.86 -0.75 4.35 4.38 3k7tA1 LEU 310 HB2 -0.23 0.01 -0.10 -0.04 1.64 1.27 3k7tA1 LEU 310 HB3 -0.40 0.03 0.13 -0.04 1.64 1.35 3k7tA1 LEU 310 HG -0.08 -0.03 -0.29 -0.04 1.64 1.19 3k7tA1 LEU 310 HD13 -0.09 0.01 -0.22 -0.04 0.93 0.59 3k7tA1 LEU 310 HD23 0.04 -0.01 -0.06 -0.04 0.89 0.83 3k7tA1 TYR 311 H -0.47 0.61 0.22 -0.55 8.29 8.10 3k7tA1 TYR 311 HA -0.04 0.17 0.84 -0.75 4.56 4.78 3k7tA1 TYR 311 HB2 -0.06 0.06 0.21 -0.04 3.06 3.22 3k7tA1 TYR 311 HB3 -0.28 -0.14 0.00 -0.04 2.98 2.53 3k7tA1 TYR 311 HD2 0.13 0.05 -0.22 -0.04 7.15 7.07 3k7tA1 TYR 311 HE2 0.06 -0.02 -0.08 -0.04 6.85 6.77 3k7tA1 ASP 312 H 0.47 0.45 0.27 -0.55 8.40 9.04 3k7tA1 ASP 312 HA 0.19 0.06 0.55 -0.75 4.63 4.67 3k7tA1 ASP 312 HB2 0.20 -0.18 0.25 -0.04 2.71 2.93 3k7tA1 ASP 312 HB3 0.32 0.07 0.16 -0.04 2.70 3.21 3k7tA1 TYR 313 H 0.24 0.62 0.41 -0.55 8.29 9.01 3k7tA1 TYR 313 HA 0.20 0.19 0.94 -0.75 4.56 5.13 3k7tA1 TYR 313 HB2 0.05 -0.03 -0.06 -0.04 3.06 2.99 3k7tA1 TYR 313 HB3 0.06 -0.04 0.02 -0.04 2.98 2.98 3k7tA1 TYR 313 HD2 0.12 0.00 -0.04 -0.04 7.15 7.19 3k7tA1 TYR 313 HE2 0.10 0.00 -0.04 -0.04 6.85 6.87 3k7tA1 CYS 314 H 0.24 0.23 0.29 -0.55 8.50 8.71 3k7tA1 CYS 314 HA -0.05 0.14 0.59 -0.75 4.58 4.51 3k7tA1 CYS 314 HB2 -0.08 0.03 0.12 -0.04 2.97 3.00 3k7tA1 CYS 314 HB3 -0.39 0.05 -0.23 -0.04 2.97 2.36 3k7tA1 GLU 315 H 0.00 0.18 0.13 -0.55 8.60 8.37 3k7tA1 GLU 315 HA 0.05 0.05 0.71 -0.75 4.29 4.35 3k7tA1 GLU 315 HB2 0.01 -0.03 0.07 -0.04 2.09 2.10 3k7tA1 GLU 315 HB3 0.01 0.01 0.10 -0.04 1.99 2.06 3k7tA1 GLU 315 HG2 0.03 0.01 -0.33 -0.04 2.34 2.01 3k7tA1 GLU 315 HG3 0.02 0.08 0.00 -0.04 2.34 2.41 3k7tA1 VAL 316 H 0.07 0.27 0.26 -0.55 8.24 8.30 3k7tA1 VAL 316 HA 0.06 0.14 0.70 -0.75 4.13 4.28 3k7tA1 VAL 316 HB 0.13 0.01 -0.35 -0.04 2.12 1.86 3k7tA1 VAL 316 HG13 0.15 -0.01 -0.20 -0.04 0.97 0.87 3k7tA1 VAL 316 HG23 0.19 -0.01 -0.27 -0.04 0.95 0.82 3k7tA1 SER 317 H 0.05 0.64 0.19 -0.55 8.46 8.79 3k7tA1 SER 317 HA 0.03 0.19 0.49 -0.75 4.49 4.45 3k7tA1 SER 317 HB2 0.03 -0.12 0.23 -0.04 3.95 4.05 3k7tA1 SER 317 HB3 0.04 0.18 -0.09 -0.04 3.93 4.02 3k7tA1 GLU 318 H 0.02 0.13 0.15 -0.55 8.60 8.36 3k7tA1 GLU 318 HA 0.01 0.12 0.44 -0.75 4.29 4.11 3k7tA1 GLU 318 HB2 0.01 -0.06 0.15 -0.04 2.09 2.15 3k7tA1 GLU 318 HB3 0.01 0.05 0.01 -0.04 1.99 2.01 3k7tA1 GLU 318 HG2 0.01 -0.02 0.06 -0.04 2.34 2.35 3k7tA1 GLU 318 HG3 0.01 0.02 0.05 -0.04 2.34 2.37 3k7tA1 SER 319 H 0.02 -0.11 -0.05 -0.55 8.46 7.78 3k7tA1 SER 319 HA 0.01 0.26 0.91 -0.75 4.49 4.91 3k7tA1 SER 319 HB2 -0.00 -0.04 0.04 -0.04 3.95 3.91 3k7tA1 SER 319 HB3 0.00 0.04 -0.02 -0.04 3.93 3.91 3k7tA1 GLU 320 H 0.02 -0.11 0.06 -0.55 8.60 8.03 3k7tA1 GLU 320 HA -0.05 0.28 0.71 -0.75 4.29 4.48 3k7tA1 GLU 320 HB2 0.08 -0.12 0.09 -0.04 2.09 2.09 3k7tA1 GLU 320 HB3 0.08 0.09 0.04 -0.04 1.99 2.17 3k7tA1 GLU 320 HG2 -0.11 0.12 0.02 -0.04 2.34 2.33 3k7tA1 GLU 320 HG3 0.00 -0.13 0.05 -0.04 2.34 2.22 3k7tA1 ARG 321 H -0.03 0.50 0.36 -0.55 8.46 8.74 3k7tA1 ARG 321 HA 0.08 -0.11 0.85 -0.75 4.34 4.40 3k7tA1 ARG 321 HB2 0.03 -0.02 -0.06 -0.04 1.90 1.81 3k7tA1 ARG 321 HB3 0.07 0.01 0.07 -0.04 1.80 1.90 3k7tA1 ARG 321 HG2 0.04 -0.07 0.03 -0.04 1.67 1.63 3k7tA1 ARG 321 HG3 0.03 0.15 -0.40 -0.04 1.67 1.40 3k7tA1 ARG 321 HD2 0.03 -0.03 -0.29 -0.04 3.22 2.89 3k7tA1 ARG 321 HD3 0.04 0.13 -0.33 -0.04 3.22 3.01 3k7tA1 LEU 322 H 0.13 0.59 0.34 -0.55 8.37 8.88 3k7tA1 LEU 322 HA 0.12 0.34 1.08 -0.75 4.35 5.14 3k7tA1 LEU 322 HB2 0.27 -0.04 0.16 -0.04 1.64 1.99 3k7tA1 LEU 322 HB3 0.16 0.00 -0.07 -0.04 1.64 1.69 3k7tA1 LEU 322 HG 0.17 -0.03 -0.24 -0.04 1.64 1.50 3k7tA1 LEU 322 HD13 0.12 -0.01 -0.14 -0.04 0.93 0.86 3k7tA1 LEU 322 HD23 0.08 0.01 -0.21 -0.04 0.89 0.73 3k7tA1 LEU 323 H 0.04 0.78 0.29 -0.55 8.37 8.93 3k7tA1 LEU 323 HA 0.07 0.13 0.99 -0.75 4.35 4.79 3k7tA1 LEU 323 HB2 0.00 -0.03 0.06 -0.04 1.64 1.64 3k7tA1 LEU 323 HB3 -0.03 0.07 -0.14 -0.04 1.64 1.50 3k7tA1 LEU 323 HG 0.04 -0.08 -0.31 -0.04 1.64 1.26 3k7tA1 LEU 323 HD13 0.02 0.00 -0.18 -0.04 0.93 0.73 3k7tA1 LEU 323 HD23 0.06 -0.00 -0.27 -0.04 0.89 0.64 3k7tA1 VAL 324 H -0.06 0.65 0.25 -0.55 8.24 8.53 3k7tA1 VAL 324 HA -0.27 0.20 1.05 -0.75 4.13 4.35 3k7tA1 VAL 324 HB -0.15 -0.08 -0.02 -0.04 2.12 1.83 3k7tA1 VAL 324 HG13 -0.11 -0.00 -0.07 -0.04 0.97 0.75 3k7tA1 VAL 324 HG23 -0.33 0.01 -0.15 -0.04 0.95 0.43 3k7tA1 ALA 325 H -0.46 0.75 0.45 -0.55 8.40 8.59 3k7tA1 ALA 325 HA -0.52 0.31 1.11 -0.75 4.34 4.48 3k7tA1 ALA 325 HB3 -0.98 -0.03 0.05 -0.04 1.41 0.41 3k7tA1 PHE 326 H -0.37 0.52 0.33 -0.55 8.34 8.27 3k7tA1 PHE 326 HA -0.27 0.33 1.20 -0.75 4.62 5.13 3k7tA1 PHE 326 HB2 -0.25 -0.06 0.17 -0.04 3.15 2.97 3k7tA1 PHE 326 HB3 -0.13 0.07 0.10 -0.04 3.06 3.06 3k7tA1 PHE 326 HD2 -0.02 0.03 -0.09 -0.04 7.28 7.16 3k7tA1 PHE 326 HE2 0.10 -0.02 -0.08 -0.04 7.38 7.34 3k7tA1 PHE 326 HZ 0.06 -0.01 -0.03 -0.04 7.32 7.30 3k7tA1 THR 327 H -0.17 0.67 0.42 -0.55 8.28 8.64 3k7tA1 THR 327 HA -0.89 0.12 0.56 -0.75 4.39 3.42 3k7tA1 THR 327 HB -0.50 0.13 0.05 -0.04 4.32 3.95 3k7tA1 THR 327 HG23 -0.19 -0.02 -0.18 -0.04 1.22 0.78 3k7tA1 ASP 328 H 0.13 0.13 0.21 -0.55 8.40 8.32 3k7tA1 ASP 328 HA 0.09 0.32 0.88 -0.75 4.63 5.17 3k7tA1 ASP 328 HB2 0.19 0.12 0.07 -0.04 2.71 3.05 3k7tA1 ASP 328 HB3 0.54 0.02 -0.28 -0.04 2.70 2.94 3k7tA1 SER 329 H 0.06 0.82 0.31 -0.55 8.46 9.10 3k7tA1 SER 329 HA 0.07 0.11 0.42 -0.75 4.49 4.34 3k7tA1 SER 329 HB2 0.02 -0.04 0.08 -0.04 3.95 3.96 3k7tA1 SER 329 HB3 0.04 -0.00 0.12 -0.04 3.93 4.04 3k7tA1 GLY 330 H 0.08 0.03 -0.10 -0.55 8.43 7.90 3k7tA1 GLY 330 HA2 0.03 0.11 0.44 -0.51 4.01 4.08 3k7tA1 GLY 330 HA3 0.04 -0.00 0.27 -0.51 4.01 3.81 3k7tA1 SER 331 H 0.20 -0.01 -0.19 -0.55 8.46 7.92 3k7tA1 SER 331 HA 0.12 0.11 0.58 -0.75 4.49 4.55 3k7tA1 SER 331 HB2 0.55 -0.02 0.16 -0.04 3.95 4.60 3k7tA1 SER 331 HB3 0.34 0.02 0.03 -0.04 3.93 4.27 3k7tA1 PHE 332 H 0.32 0.36 0.07 -0.55 8.34 8.54 3k7tA1 PHE 332 HA 0.06 0.09 0.73 -0.75 4.62 4.75 3k7tA1 PHE 332 HB2 0.15 0.03 0.01 -0.04 3.15 3.30 3k7tA1 PHE 332 HB3 0.08 0.06 0.04 -0.04 3.06 3.21 3k7tA1 PHE 332 HD2 0.00 -0.01 -0.20 -0.04 7.28 7.04 3k7tA1 PHE 332 HE2 -0.08 0.00 -0.34 -0.04 7.38 6.92 3k7tA1 PHE 332 HZ 0.01 -0.06 -0.27 -0.04 7.32 6.96 3k7tA1 ASP 333 H -0.68 0.13 0.09 -0.55 8.40 7.39 3k7tA1 ASP 333 HA -0.31 0.38 1.05 -0.75 4.63 4.99 3k7tA1 ASP 333 HB2 -0.17 0.17 0.01 -0.04 2.71 2.68 3k7tA1 ASP 333 HB3 -0.28 -0.02 0.14 -0.04 2.70 2.50 3k7tA1 PRO 334 HA -0.21 0.11 0.19 -0.51 4.44 4.02 3k7tA1 PRO 334 HB2 -0.91 0.01 -0.10 -0.04 2.28 1.24 3k7tA1 PRO 334 HB3 -0.48 0.04 -0.07 -0.04 2.02 1.46 3k7tA1 PRO 334 HG2 -0.16 0.01 -0.02 -0.04 2.03 1.82 3k7tA1 PRO 334 HG3 -0.33 0.04 -0.03 -0.04 2.03 1.67 3k7tA1 PRO 334 HD2 -0.18 0.12 0.19 -0.04 3.68 3.77 3k7tA1 PRO 334 HD3 -0.18 0.35 0.04 -0.04 3.65 3.81 3k7tA1 THR 335 H -0.17 0.11 -0.36 -0.55 8.28 7.31 3k7tA1 THR 335 HA 0.01 0.12 0.29 -0.75 4.39 4.05 3k7tA1 THR 335 HB -0.07 -0.00 -0.00 -0.04 4.32 4.20 3k7tA1 THR 335 HG23 -0.03 0.00 -0.15 -0.04 1.22 1.00 3k7tA1 ASP 336 H -0.18 0.24 -0.32 -0.55 8.40 7.59 3k7tA1 ASP 336 HA -0.05 0.10 0.79 -0.75 4.63 4.71 3k7tA1 ASP 336 HB2 -0.12 0.06 0.08 -0.04 2.71 2.70 3k7tA1 ASP 336 HB3 -0.18 0.10 0.20 -0.04 2.70 2.79 3k7tA1 ILE 337 H -0.01 0.29 0.12 -0.55 8.25 8.10 3k7tA1 ILE 337 HA 0.04 0.14 0.38 -0.75 4.18 3.98 3k7tA1 ILE 337 HB 0.02 0.10 0.07 -0.04 1.89 2.04 3k7tA1 ILE 337 HG12 0.03 0.07 -0.03 -0.04 1.49 1.51 3k7tA1 ILE 337 HG13 0.03 -0.07 0.03 -0.04 1.21 1.17 3k7tA1 ILE 337 HG23 0.01 0.01 -0.03 -0.04 0.93 0.87 3k7tA1 ILE 337 HD13 0.05 0.01 -0.06 -0.04 0.88 0.85 3k7tA1 GLY 338 H -0.01 0.10 -0.14 -0.55 8.43 7.84 3k7tA1 GLY 338 HA2 0.01 0.13 0.54 -0.51 4.01 4.18 3k7tA1 GLY 338 HA3 -0.00 0.09 0.26 -0.51 4.01 3.85 3k7tA1 ALA 339 H -0.01 0.13 -0.31 -0.55 8.40 7.66 3k7tA1 ALA 339 HA 0.02 0.08 0.49 -0.75 4.34 4.17 3k7tA1 ALA 339 HB3 -0.03 0.08 0.07 -0.04 1.41 1.49 3k7tA1 VAL 340 H 0.09 0.25 -0.34 -0.55 8.24 7.69 3k7tA1 VAL 340 HA 0.09 0.07 0.44 -0.75 4.13 3.97 3k7tA1 VAL 340 HB 0.09 0.15 0.09 -0.04 2.12 2.42 3k7tA1 VAL 340 HG13 0.14 -0.01 -0.17 -0.04 0.97 0.88 3k7tA1 VAL 340 HG23 0.27 0.07 -0.05 -0.04 0.95 1.20 3k7tA1 LYS 341 H 0.03 0.44 -0.15 -0.55 8.42 8.18 3k7tA1 LYS 341 HA 0.01 0.03 0.40 -0.75 4.32 4.01 3k7tA1 LYS 341 HB2 0.01 0.07 0.19 -0.04 1.87 2.10 3k7tA1 LYS 341 HB3 0.01 0.02 0.02 -0.04 1.79 1.80 3k7tA1 LYS 341 HG2 0.02 -0.06 0.08 -0.04 1.46 1.45 3k7tA1 LYS 341 HG3 0.02 0.16 0.10 -0.04 1.46 1.70 3k7tA1 LYS 341 HD2 0.01 -0.05 0.01 -0.04 1.69 1.62 3k7tA1 LYS 341 HD3 0.01 0.01 0.03 -0.04 1.68 1.69 3k7tA1 LYS 341 HE2 0.01 -0.01 0.00 -0.04 2.99 2.96 3k7tA1 LYS 341 HE3 0.02 0.06 0.04 -0.04 2.99 3.07 3k7tA1 ASP 342 H -0.01 0.48 -0.20 -0.55 8.40 8.12 3k7tA1 ASP 342 HA -0.00 0.06 0.37 -0.75 4.63 4.30 3k7tA1 ASP 342 HB2 -0.02 0.04 0.08 -0.04 2.71 2.77 3k7tA1 ASP 342 HB3 -0.01 -0.03 0.01 -0.04 2.70 2.62 3k7tA1 ALA 343 H -0.17 0.32 -0.53 -0.55 8.40 7.47 3k7tA1 ALA 343 HA -0.22 -0.00 0.56 -0.75 4.34 3.92 3k7tA1 ALA 343 HB3 -1.11 0.03 0.04 -0.04 1.41 0.33 3k7tA1 VAL 344 H -0.07 0.44 -0.12 -0.55 8.24 7.94 3k7tA1 VAL 344 HA 0.14 0.05 0.51 -0.75 4.13 4.08 3k7tA1 VAL 344 HB 0.03 0.08 0.10 -0.04 2.12 2.30 3k7tA1 VAL 344 HG13 0.06 0.02 -0.16 -0.04 0.97 0.84 3k7tA1 VAL 344 HG23 0.08 0.03 -0.06 -0.04 0.95 0.97 3k7tA1 LEU 345 H 0.03 0.63 -0.02 -0.55 8.37 8.46 3k7tA1 LEU 345 HA 0.04 0.26 0.11 -0.75 4.35 4.00 3k7tA1 LEU 345 HB2 0.02 -0.01 0.01 -0.04 1.64 1.63 3k7tA1 LEU 345 HB3 0.01 -0.05 0.00 -0.04 1.64 1.56 3k7tA1 LEU 345 HG 0.02 0.05 0.08 -0.04 1.64 1.75 3k7tA1 LEU 345 HD13 0.01 -0.05 -0.10 -0.04 0.93 0.74 3k7tA1 LEU 345 HD23 0.01 0.01 0.07 -0.04 0.89 0.94 3k7tA1 TYR 346 H 0.13 0.16 -0.74 -0.55 8.29 7.30 3k7tA1 TYR 346 HA -0.11 0.03 0.41 -0.75 4.56 4.14 3k7tA1 TYR 346 HB2 -0.12 0.16 0.13 -0.04 3.06 3.19 3k7tA1 TYR 346 HB3 -0.18 0.15 0.03 -0.04 2.98 2.95 3k7tA1 TYR 346 HD2 -0.79 0.05 -0.07 -0.04 7.15 6.29 3k7tA1 TYR 346 HE2 -0.22 -0.09 0.02 -0.04 6.85 6.52 3k7tA1 TYR 347 H 0.25 0.25 -0.34 -0.55 8.29 7.89 3k7tA1 TYR 347 HA -0.02 0.15 0.77 -0.75 4.56 4.70 3k7tA1 TYR 347 HB2 0.07 0.04 0.10 -0.04 3.06 3.23 3k7tA1 TYR 347 HB3 0.05 0.02 0.00 -0.04 2.98 3.02 3k7tA1 TYR 347 HD2 0.13 0.22 0.01 -0.04 7.15 7.47 3k7tA1 TYR 347 HE2 0.12 -0.17 -0.07 -0.04 6.85 6.69 3k7tA1 LEU 348 H 0.14 0.71 0.08 -0.55 8.37 8.75 3k7tA1 LEU 348 HA 0.04 0.18 0.87 -0.75 4.35 4.69 3k7tA1 LEU 348 HB2 0.07 0.05 0.09 -0.04 1.64 1.81 3k7tA1 LEU 348 HB3 0.04 -0.12 0.02 -0.04 1.64 1.53 3k7tA1 LEU 348 HG 0.10 0.01 -0.41 -0.04 1.64 1.30 3k7tA1 LEU 348 HD13 0.04 -0.02 -0.13 -0.04 0.93 0.78 3k7tA1 LEU 348 HD23 0.04 0.02 -0.06 -0.04 0.89 0.84 3k7tA1 PRO 349 HA 0.01 0.10 0.52 -0.51 4.44 4.56 3k7tA1 PRO 349 HB2 -0.01 -0.03 -0.04 -0.04 2.28 2.16 3k7tA1 PRO 349 HB3 -0.01 0.02 0.07 -0.04 2.02 2.06 3k7tA1 PRO 349 HG2 -0.03 -0.02 0.02 -0.04 2.03 1.96 3k7tA1 PRO 349 HG3 -0.04 0.22 -0.04 -0.04 2.03 2.13 3k7tA1 PRO 349 HD2 0.00 -0.01 0.15 -0.04 3.68 3.78 3k7tA1 PRO 349 HD3 -0.00 0.34 -0.19 -0.04 3.65 3.75 3k7tA1 GLU 350 H 0.01 0.09 -0.13 -0.55 8.60 8.02 3k7tA1 GLU 350 HA 0.00 0.11 0.50 -0.75 4.29 4.15 3k7tA1 GLU 350 HB2 0.00 -0.01 0.09 -0.04 2.09 2.13 3k7tA1 GLU 350 HB3 0.00 -0.03 0.06 -0.04 1.99 1.98 3k7tA1 GLU 350 HG2 0.01 0.11 -0.21 -0.04 2.34 2.21 3k7tA1 GLU 350 HG3 0.01 -0.01 -0.02 -0.04 2.34 2.28 3k7tA1 VAL 351 H 0.02 0.09 -0.49 -0.55 8.24 7.31 3k7tA1 VAL 351 HA 0.00 0.18 0.54 -0.75 4.13 4.10 3k7tA1 VAL 351 HB 0.03 0.12 -0.03 -0.04 2.12 2.20 3k7tA1 VAL 351 HG13 0.01 -0.03 -0.34 -0.04 0.97 0.57 3k7tA1 VAL 351 HG23 0.02 -0.02 -0.27 -0.04 0.95 0.64 3k7tA1 GLU 352 H -0.01 0.47 0.29 -0.55 8.60 8.81 3k7tA1 GLU 352 HA 0.00 0.17 0.85 -0.75 4.29 4.56 3k7tA1 GLU 352 HB2 -0.00 0.01 -0.00 -0.04 2.09 2.06 3k7tA1 GLU 352 HB3 -0.00 0.06 -0.00 -0.04 1.99 2.01 3k7tA1 GLU 352 HG2 -0.01 0.19 0.15 -0.04 2.34 2.63 3k7tA1 GLU 352 HG3 -0.03 -0.13 -0.02 -0.04 2.34 2.13 3k7tA1 VAL 353 H 0.01 0.16 0.14 -0.55 8.24 8.00 3k7tA1 VAL 353 HA -0.00 0.13 0.70 -0.75 4.13 4.21 3k7tA1 VAL 353 HB 0.02 -0.02 0.11 -0.04 2.12 2.19 3k7tA1 VAL 353 HG13 0.05 -0.00 -0.17 -0.04 0.97 0.80 3k7tA1 VAL 353 HG23 0.03 0.01 -0.11 -0.04 0.95 0.85 3k7tA1 LEU 354 H -0.02 0.76 0.45 -0.55 8.37 9.01 3k7tA1 LEU 354 HA 0.02 0.14 0.82 -0.75 4.35 4.58 3k7tA1 LEU 354 HB2 -0.13 0.04 -0.05 -0.04 1.64 1.47 3k7tA1 LEU 354 HB3 0.10 -0.02 -0.01 -0.04 1.64 1.67 3k7tA1 LEU 354 HG -0.10 0.01 -0.23 -0.04 1.64 1.27 3k7tA1 LEU 354 HD13 -0.30 -0.01 -0.22 -0.04 0.93 0.37 3k7tA1 LEU 354 HD23 -0.01 0.00 -0.07 -0.04 0.89 0.77 3k7tA1 GLY 355 H 0.10 0.36 0.33 -0.55 8.43 8.66 3k7tA1 GLY 355 HA2 0.07 0.08 0.40 -0.51 4.01 4.05 3k7tA1 GLY 355 HA3 0.10 0.10 0.40 -0.51 4.01 4.10 3k7tA1 ILE 356 H 0.07 0.26 0.20 -0.55 8.25 8.23 3k7tA1 ILE 356 HA 0.07 0.24 0.99 -0.75 4.18 4.72 3k7tA1 ILE 356 HB 0.12 -0.02 -0.07 -0.04 1.89 1.88 3k7tA1 ILE 356 HG12 0.09 -0.03 -0.03 -0.04 1.49 1.47 3k7tA1 ILE 356 HG13 0.12 -0.00 0.02 -0.04 1.21 1.30 3k7tA1 ILE 356 HG23 0.09 -0.00 -0.20 -0.04 0.93 0.78 3k7tA1 ILE 356 HD13 0.14 -0.00 -0.09 -0.04 0.88 0.88 3k7tA1 ASP 357 H 0.05 0.39 0.19 -0.55 8.40 8.49 3k7tA1 ASP 357 HA 0.03 0.12 0.75 -0.75 4.63 4.78 3k7tA1 ASP 357 HB2 -0.03 -0.04 -0.09 -0.04 2.71 2.51 3k7tA1 ASP 357 HB3 -0.04 0.05 0.15 -0.04 2.70 2.81 3k7tA1 TYR 358 H -0.10 0.30 0.21 -0.55 8.29 8.15 3k7tA1 TYR 358 HA -0.05 0.21 0.71 -0.75 4.56 4.68 3k7tA1 TYR 358 HB2 -0.05 0.18 0.18 -0.04 3.06 3.34 3k7tA1 TYR 358 HB3 -0.05 -0.07 -0.17 -0.04 2.98 2.64 3k7tA1 TYR 358 HD2 -0.05 -0.03 -0.30 -0.04 7.15 6.72 3k7tA1 TYR 358 HE2 -0.06 0.02 -0.15 -0.04 6.85 6.62 3k7tA1 HIS 359 H 0.11 0.36 0.20 -0.55 8.41 8.54 3k7tA1 HIS 359 HA -0.50 0.11 0.64 -0.75 4.63 4.13 3k7tA1 HIS 359 HB2 -0.32 0.04 -0.08 -0.04 3.26 2.86 3k7tA1 HIS 359 HB3 -0.83 0.03 0.08 -0.04 3.20 2.44 3k7tA1 HIS 359 HD2 -0.31 0.05 0.02 -0.04 6.97 6.68 3k7tA1 HIS 359 HE1 -0.56 -0.03 -0.11 -0.04 7.75 7.02 3k7tA1 ASP 360 H -0.63 0.20 0.03 -0.55 8.40 7.45 3k7tA1 ASP 360 HA 0.02 0.13 0.65 -0.75 4.63 4.67 3k7tA1 ASP 360 HB2 0.01 0.04 0.10 -0.04 2.71 2.82 3k7tA1 ASP 360 HB3 -0.19 0.00 0.20 -0.04 2.70 2.67 3k7tA1 TRP 361 H 0.15 0.39 0.25 -0.55 7.97 8.21 3k7tA1 TRP 361 HA 0.08 0.05 0.34 -0.75 4.62 4.33 3k7tA1 TRP 361 HB2 0.00 0.09 0.05 -0.04 3.23 3.33 3k7tA1 TRP 361 HB3 -0.02 0.05 -0.21 -0.04 3.23 3.01 3k7tA1 TRP 361 HD1 0.09 0.07 0.15 -0.04 7.22 7.49 3k7tA1 TRP 361 HE1 0.09 0.13 0.03 -0.04 10.20 10.42 3k7tA1 TRP 361 HE3 -0.86 -0.03 -0.04 -0.04 7.59 6.62 3k7tA1 TRP 361 HZ2 -0.02 -0.04 -0.08 -0.04 7.44 7.26 3k7tA1 TRP 361 HZ3 -1.80 -0.05 -0.17 -0.04 7.13 5.07 3k7tA1 TRP 361 HH2 -0.45 0.10 -0.04 -0.04 7.19 6.76 3k7tA1 ILE 362 H 0.14 0.11 -0.12 -0.55 8.25 7.83 3k7tA1 ILE 362 HA 0.10 0.08 0.18 -0.75 4.18 3.79 3k7tA1 ILE 362 HB 0.03 0.02 0.05 -0.04 1.89 1.94 3k7tA1 ILE 362 HG12 -0.01 -0.02 -0.06 -0.04 1.49 1.36 3k7tA1 ILE 362 HG13 -0.02 0.23 -0.17 -0.04 1.21 1.21 3k7tA1 ILE 362 HG23 0.02 -0.02 -0.10 -0.04 0.93 0.78 3k7tA1 ILE 362 HD13 -0.06 0.03 0.03 -0.04 0.88 0.84 3k7tA1 ALA 363 H 0.01 0.01 -0.40 -0.55 8.40 7.48 3k7tA1 ALA 363 HA 0.01 0.19 0.57 -0.75 4.34 4.35 3k7tA1 ALA 363 HB3 -0.05 0.00 0.04 -0.04 1.41 1.37 3k7tA1 ASP 364 H 0.06 0.13 -0.28 -0.55 8.40 7.76 3k7tA1 ASP 364 HA 0.05 0.13 0.53 -0.75 4.63 4.59 3k7tA1 ASP 364 HB2 0.07 0.11 0.11 -0.04 2.71 2.97 3k7tA1 ASP 364 HB3 0.43 -0.05 0.11 -0.04 2.70 3.15 3k7tA1 PRO 365 HA 0.05 0.20 0.37 -0.51 4.44 4.55 3k7tA1 PRO 365 HB2 0.02 0.04 -0.01 -0.04 2.28 2.30 3k7tA1 PRO 365 HB3 0.02 0.09 0.11 -0.04 2.02 2.20 3k7tA1 PRO 365 HG2 0.03 -0.04 0.05 -0.04 2.03 2.04 3k7tA1 PRO 365 HG3 0.02 0.07 0.08 -0.04 2.03 2.16 3k7tA1 PRO 365 HD2 0.06 -0.01 0.24 -0.04 3.68 3.93 3k7tA1 PRO 365 HD3 0.03 0.29 0.28 -0.04 3.65 4.21 3k7tA1 LEU 366 H 0.11 0.04 -0.29 -0.55 8.37 7.68 3k7tA1 LEU 366 HA -0.10 0.20 0.54 -0.75 4.35 4.23 3k7tA1 LEU 366 HB2 -0.03 -0.03 -0.03 -0.04 1.64 1.51 3k7tA1 LEU 366 HB3 -0.39 -0.06 0.08 -0.04 1.64 1.23 3k7tA1 LEU 366 HG 0.00 0.02 -0.08 -0.04 1.64 1.54 3k7tA1 LEU 366 HD13 0.02 -0.00 -0.10 -0.04 0.93 0.81 3k7tA1 LEU 366 HD23 -0.06 0.02 -0.10 -0.04 0.89 0.71 3k7tA1 PHE 367 H 0.23 0.23 -0.42 -0.55 8.34 7.83 3k7tA1 PHE 367 HA 0.08 0.09 0.87 -0.75 4.62 4.91 3k7tA1 PHE 367 HB2 0.33 0.08 0.12 -0.04 3.15 3.65 3k7tA1 PHE 367 HB3 0.19 0.26 0.07 -0.04 3.06 3.54 3k7tA1 PHE 367 HD2 0.16 0.01 -0.05 -0.04 7.28 7.35 3k7tA1 PHE 367 HE2 0.09 -0.13 -0.07 -0.04 7.38 7.23 3k7tA1 PHE 367 HZ 0.15 -0.14 -0.14 -0.04 7.32 7.15 3k7tA1 GLU 368 H 0.25 0.53 0.20 -0.55 8.60 9.04 3k7tA1 GLU 368 HA 0.10 0.18 0.33 -0.75 4.29 4.14 3k7tA1 GLU 368 HB2 0.04 0.05 -0.19 -0.04 2.09 1.95 3k7tA1 GLU 368 HB3 0.01 -0.00 0.23 -0.04 1.99 2.19 3k7tA1 GLU 368 HG2 0.04 0.03 -0.03 -0.04 2.34 2.34 3k7tA1 GLU 368 HG3 0.06 -0.08 -0.16 -0.04 2.34 2.12 3k7tA1 GLY 369 H 0.24 0.20 -0.44 -0.55 8.43 7.89 3k7tA1 GLY 369 HA2 0.02 0.02 0.30 -0.51 4.01 3.84 3k7tA1 GLY 369 HA3 -0.01 0.18 0.40 -0.51 4.01 4.07 3k7tA1 PRO 370 HA -0.28 0.04 0.33 -0.51 4.44 4.03 3k7tA1 PRO 370 HB2 -0.09 0.04 0.08 -0.04 2.28 2.27 3k7tA1 PRO 370 HB3 -0.03 -0.00 0.08 -0.04 2.02 2.02 3k7tA1 PRO 370 HG2 -0.78 -0.06 0.19 -0.04 2.03 1.34 3k7tA1 PRO 370 HG3 -0.37 0.23 0.08 -0.04 2.03 1.93 3k7tA1 PRO 370 HD2 -0.17 0.35 0.09 -0.04 3.68 3.92 3k7tA1 PRO 370 HD3 -0.04 0.04 0.09 -0.04 3.65 3.70 3k7tA1 TRP 371 H -0.43 0.20 0.15 -0.55 7.97 7.35 3k7tA1 TRP 371 HA -0.01 0.09 0.75 -0.75 4.62 4.70 3k7tA1 TRP 371 HB2 0.05 -0.09 0.15 -0.04 3.23 3.30 3k7tA1 TRP 371 HB3 -0.03 -0.01 0.01 -0.04 3.23 3.16 3k7tA1 TRP 371 HD1 0.21 0.13 -0.32 -0.04 7.22 7.20 3k7tA1 TRP 371 HE1 0.19 0.09 0.08 -0.04 10.20 10.52 3k7tA1 TRP 371 HE3 0.00 -0.10 -0.06 -0.04 7.59 7.39 3k7tA1 TRP 371 HZ2 0.11 0.10 -0.41 -0.04 7.44 7.21 3k7tA1 TRP 371 HZ3 0.23 -0.02 -0.06 -0.04 7.13 7.23 3k7tA1 TRP 371 HH2 0.26 0.02 -0.01 -0.04 7.19 7.42 3k7tA1 VAL 372 H 0.35 0.07 0.07 -0.55 8.24 8.18 3k7tA1 VAL 372 HA -0.57 0.02 0.20 -0.75 4.13 3.02 3k7tA1 VAL 372 HB -0.14 -0.15 0.08 -0.04 2.12 1.88 3k7tA1 VAL 372 HG13 0.43 0.03 0.06 -0.04 0.97 1.45 3k7tA1 VAL 372 HG23 -0.39 0.06 -0.06 -0.04 0.95 0.52 3k7tA1 ALA 373 H 0.01 0.10 0.06 -0.55 8.40 8.02 3k7tA1 ALA 373 HA -0.88 0.12 0.52 -0.75 4.34 3.36 3k7tA1 ALA 373 HB3 0.09 0.03 0.01 -0.04 1.41 1.49 3k7tA1 PRO 374 HA -0.48 -0.03 0.51 -0.51 4.44 3.93 3k7tA1 PRO 374 HB2 -0.75 0.03 0.09 -0.04 2.28 1.60 3k7tA1 PRO 374 HB3 -2.28 0.07 0.12 -0.04 2.02 -0.11 3k7tA1 PRO 374 HG2 -0.70 -0.04 0.04 -0.04 2.03 1.28 3k7tA1 PRO 374 HG3 -1.67 0.07 0.05 -0.04 2.03 0.43 3k7tA1 PRO 374 HD2 -2.45 0.16 0.15 -0.04 3.68 1.50 3k7tA1 PRO 374 HD3 -2.28 0.18 0.03 -0.04 3.65 1.54 3k7tA1 ARG 375 H -0.21 0.13 0.23 -0.55 8.46 8.05 3k7tA1 ARG 375 HA -0.11 0.29 0.74 -0.75 4.34 4.50 3k7tA1 ARG 375 HB2 -0.07 -0.01 0.01 -0.04 1.90 1.79 3k7tA1 ARG 375 HB3 -0.07 0.04 0.15 -0.04 1.80 1.88 3k7tA1 ARG 375 HG2 -0.11 0.00 0.06 -0.04 1.67 1.59 3k7tA1 ARG 375 HG3 -0.11 -0.07 0.15 -0.04 1.67 1.60 3k7tA1 ARG 375 HD2 -0.05 -0.02 -0.01 -0.04 3.22 3.10 3k7tA1 ARG 375 HD3 -0.06 -0.04 0.02 -0.04 3.22 3.09 3k7tA1 VAL 376 H -0.05 0.27 0.12 -0.55 8.24 8.03 3k7tA1 VAL 376 HA -0.03 -0.08 0.30 -0.75 4.13 3.56 3k7tA1 VAL 376 HB -0.02 0.03 0.16 -0.04 2.12 2.25 3k7tA1 VAL 376 HG13 -0.00 -0.01 -0.20 -0.04 0.97 0.71 3k7tA1 VAL 376 HG23 -0.02 0.04 -0.16 -0.04 0.95 0.77 3k7tA1 GLY 377 H -0.01 0.05 0.25 -0.55 8.43 8.17 3k7tA1 GLY 377 HA2 0.02 0.02 0.34 -0.51 4.01 3.89 3k7tA1 GLY 377 HA3 0.01 0.26 0.77 -0.51 4.01 4.54 3k7tA1 GLN 378 H -0.02 0.44 -0.04 -0.55 8.47 8.30 3k7tA1 GLN 378 HA 0.07 0.14 0.42 -0.75 4.36 4.24 3k7tA1 GLN 378 HB2 -0.10 -0.04 0.21 -0.04 2.15 2.18 3k7tA1 GLN 378 HB3 0.14 0.06 0.01 -0.04 2.02 2.19 3k7tA1 GLN 378 HG2 0.02 0.05 -0.03 -0.04 2.40 2.40 3k7tA1 GLN 378 HG3 -0.04 0.01 -0.12 -0.04 2.39 2.20 3k7tA1 GLN 378 HE21 -0.03 0.78 -0.15 -0.04 6.97 7.52 3k7tA1 GLN 378 HE22 -0.01 -0.05 -0.05 -0.04 7.69 7.54 3k7tA1 PHE 379 H 0.14 0.10 0.05 -0.55 8.34 8.07 3k7tA1 PHE 379 HA 0.03 0.42 0.32 -0.75 4.62 4.63 3k7tA1 PHE 379 HB2 -0.08 -0.06 0.04 -0.04 3.15 3.01 3k7tA1 PHE 379 HB3 -0.15 -0.01 -0.01 -0.04 3.06 2.85 3k7tA1 PHE 379 HD2 -0.16 -0.02 -0.12 -0.04 7.28 6.94 3k7tA1 PHE 379 HE2 -0.34 0.06 -0.04 -0.04 7.38 7.02 3k7tA1 PHE 379 HZ -0.24 0.04 -0.02 -0.04 7.32 7.06 3k7tA1 SER 380 H 0.11 0.00 -0.60 -0.55 8.46 7.43 3k7tA1 SER 380 HA 0.07 0.37 0.56 -0.75 4.49 4.74 3k7tA1 SER 380 HB2 0.04 -0.03 -0.01 -0.04 3.95 3.91 3k7tA1 SER 380 HB3 0.05 -0.06 0.00 -0.04 3.93 3.88 3k7tA1 ARG 381 H 0.08 0.27 -0.24 -0.55 8.46 8.02 3k7tA1 ARG 381 HA 0.04 0.11 0.75 -0.75 4.34 4.48 3k7tA1 ARG 381 HB2 0.05 0.13 0.24 -0.04 1.90 2.28 3k7tA1 ARG 381 HB3 0.03 -0.02 0.03 -0.04 1.80 1.80 3k7tA1 ARG 381 HG2 0.03 -0.03 0.00 -0.04 1.67 1.63 3k7tA1 ARG 381 HG3 0.04 0.13 0.07 -0.04 1.67 1.86 3k7tA1 ARG 381 HD2 0.02 -0.03 0.02 -0.04 3.22 3.19 3k7tA1 ARG 381 HD3 0.02 -0.02 0.02 -0.04 3.22 3.19 3k7tA1 VAL 382 H 0.07 0.50 0.15 -0.55 8.24 8.41 3k7tA1 VAL 382 HA 0.01 0.03 0.70 -0.75 4.13 4.11 3k7tA1 VAL 382 HB 0.01 0.12 -0.18 -0.04 2.12 2.03 3k7tA1 VAL 382 HG13 0.03 0.02 -0.00 -0.04 0.97 0.97 3k7tA1 VAL 382 HG23 -0.04 -0.04 -0.22 -0.04 0.95 0.61 3k7tA1 HIS 383 H -0.04 -0.09 0.07 -0.55 8.41 7.81 3k7tA1 HIS 383 HA -0.55 0.19 0.61 -0.75 4.63 4.13 3k7tA1 HIS 383 HB2 -0.40 0.15 -0.07 -0.04 3.26 2.90 3k7tA1 HIS 383 HB3 -0.13 -0.18 -0.03 -0.04 3.20 2.82 3k7tA1 HIS 383 HD2 -0.01 -0.49 0.07 -0.04 6.97 6.50 3k7tA1 HIS 383 HE1 0.25 0.12 -0.10 -0.04 7.75 7.97 3k7tA1 LYS 384 H -0.06 0.04 0.16 -0.55 8.42 8.00 3k7tA1 LYS 384 HA -0.29 0.25 0.49 -0.75 4.32 4.01 3k7tA1 LYS 384 HB2 -0.05 0.09 0.06 -0.04 1.87 1.93 3k7tA1 LYS 384 HB3 -0.04 -0.14 0.15 -0.04 1.79 1.72 3k7tA1 LYS 384 HG2 -0.02 -0.02 -0.08 -0.04 1.46 1.30 3k7tA1 LYS 384 HG3 -0.05 0.02 -0.40 -0.04 1.46 0.99 3k7tA1 LYS 384 HD2 -0.03 0.01 -0.05 -0.04 1.69 1.58 3k7tA1 LYS 384 HD3 -0.07 0.03 0.03 -0.04 1.68 1.63 3k7tA1 LYS 384 HE2 -0.01 0.11 -0.32 -0.04 2.99 2.74 3k7tA1 LYS 384 HE3 -0.01 -0.11 -0.06 -0.04 2.99 2.77 3k7tA1 GLU 385 H -0.08 -0.06 -0.08 -0.55 8.60 7.83 3k7tA1 GLU 385 HA -0.06 0.18 0.37 -0.75 4.29 4.03 3k7tA1 GLU 385 HB2 -0.05 -0.05 0.06 -0.04 2.09 2.01 3k7tA1 GLU 385 HB3 -0.07 -0.01 -0.09 -0.04 1.99 1.78 3k7tA1 GLU 385 HG2 -0.07 0.13 0.06 -0.04 2.34 2.41 3k7tA1 GLU 385 HG3 -0.05 0.04 0.03 -0.04 2.34 2.32 3k7tA1 LEU 386 H -0.13 0.04 -0.59 -0.55 8.37 7.15 3k7tA1 LEU 386 HA -0.13 0.06 0.31 -0.75 4.35 3.84 3k7tA1 LEU 386 HB2 -0.10 0.23 -0.03 -0.04 1.64 1.70 3k7tA1 LEU 386 HB3 0.18 -0.00 -0.08 -0.04 1.64 1.70 3k7tA1 LEU 386 HG -0.07 -0.20 -0.25 -0.04 1.64 1.08 3k7tA1 LEU 386 HD13 -0.11 0.02 -0.10 -0.04 0.93 0.70 3k7tA1 LEU 386 HD23 0.07 0.01 -0.08 -0.04 0.89 0.85 3k7tA1 GLY 387 H -0.06 0.25 -0.36 -0.55 8.43 7.72 3k7tA1 GLY 387 HA2 0.13 0.16 0.74 -0.51 4.01 4.52 3k7tA1 GLY 387 HA3 0.06 -0.04 0.30 -0.51 4.01 3.83 3k7tA1 GLU 388 H -0.05 0.35 -0.39 -0.55 8.60 7.97 3k7tA1 GLU 388 HA 0.03 0.14 0.82 -0.75 4.29 4.53 3k7tA1 GLU 388 HB2 -0.03 -0.06 0.10 -0.04 2.09 2.05 3k7tA1 GLU 388 HB3 -0.03 0.02 0.07 -0.04 1.99 2.01 3k7tA1 GLU 388 HG2 -0.00 0.07 0.02 -0.04 2.34 2.39 3k7tA1 GLU 388 HG3 0.01 0.02 0.08 -0.04 2.34 2.40 3k7tA1 PRO 389 HA 0.03 0.10 0.41 -0.51 4.44 4.47 3k7tA1 PRO 389 HB2 -0.18 0.08 -0.15 -0.04 2.28 1.99 3k7tA1 PRO 389 HB3 -0.17 -0.05 -0.01 -0.04 2.02 1.75 3k7tA1 PRO 389 HG2 0.00 -0.00 0.08 -0.04 2.03 2.07 3k7tA1 PRO 389 HG3 0.10 0.04 0.05 -0.04 2.03 2.18 3k7tA1 PRO 389 HD2 0.04 0.04 0.24 -0.04 3.68 3.95 3k7tA1 PRO 389 HD3 0.10 0.15 0.22 -0.04 3.65 4.08 3k7tA1 ALA 390 H -0.03 0.50 0.13 -0.55 8.40 8.46 3k7tA1 ALA 390 HA -0.04 0.11 0.88 -0.75 4.34 4.53 3k7tA1 ALA 390 HB3 -0.03 0.01 0.12 -0.04 1.41 1.46 3k7tA1 GLY 391 H -0.06 0.21 -0.03 -0.55 8.43 8.00 3k7tA1 GLY 391 HA2 -0.04 0.04 0.33 -0.51 4.01 3.83 3k7tA1 GLY 391 HA3 -0.04 0.11 0.76 -0.51 4.01 4.33 3k7tA1 ARG 392 H -0.06 0.20 0.19 -0.55 8.46 8.24 3k7tA1 ARG 392 HA -0.12 0.19 0.77 -0.75 4.34 4.43 3k7tA1 ARG 392 HB2 -0.01 -0.01 0.15 -0.04 1.90 1.99 3k7tA1 ARG 392 HB3 0.00 0.01 0.30 -0.04 1.80 2.07 3k7tA1 ARG 392 HG2 -0.00 -0.09 -0.06 -0.04 1.67 1.48 3k7tA1 ARG 392 HG3 0.03 0.09 0.09 -0.04 1.67 1.84 3k7tA1 ARG 392 HD2 0.06 -0.02 0.03 -0.04 3.22 3.25 3k7tA1 ARG 392 HD3 0.03 -0.02 0.02 -0.04 3.22 3.21 3k7tA1 ILE 393 H -0.16 0.20 -0.28 -0.55 8.25 7.47 3k7tA1 ILE 393 HA -0.20 0.21 0.81 -0.75 4.18 4.25 3k7tA1 ILE 393 HB -0.17 0.03 0.09 -0.04 1.89 1.80 3k7tA1 ILE 393 HG12 -0.03 -0.01 -0.11 -0.04 1.49 1.29 3k7tA1 ILE 393 HG13 -0.05 -0.13 -0.04 -0.04 1.21 0.95 3k7tA1 ILE 393 HG23 -0.51 0.00 -0.16 -0.04 0.93 0.23 3k7tA1 ILE 393 HD13 0.14 0.02 -0.05 -0.04 0.88 0.95 3k7tA1 HIS 394 H -0.15 0.72 0.38 -0.55 8.41 8.81 3k7tA1 HIS 394 HA -0.11 0.12 0.79 -0.75 4.63 4.68 3k7tA1 HIS 394 HB2 -0.10 -0.11 0.05 -0.04 3.26 3.06 3k7tA1 HIS 394 HB3 -0.05 0.00 -0.02 -0.04 3.20 3.09 3k7tA1 HIS 394 HD2 -0.05 -0.00 -0.14 -0.04 6.97 6.74 3k7tA1 HIS 394 HE1 0.00 0.02 -0.12 -0.04 7.75 7.60 3k7tA1 PHE 395 H 0.13 0.27 -0.06 -0.55 8.34 8.13 3k7tA1 PHE 395 HA -0.08 0.18 1.05 -0.75 4.62 5.02 3k7tA1 PHE 395 HB2 -0.21 0.02 -0.03 -0.04 3.15 2.89 3k7tA1 PHE 395 HB3 -0.34 0.02 0.03 -0.04 3.06 2.74 3k7tA1 PHE 395 HD2 -0.86 0.03 -0.13 -0.04 7.28 6.28 3k7tA1 PHE 395 HE2 -0.68 -0.02 -0.06 -0.04 7.38 6.58 3k7tA1 PHE 395 HZ -1.29 -0.02 -0.07 -0.04 7.32 5.91 3k7tA1 VAL 396 H 0.19 0.70 0.27 -0.55 8.24 8.85 3k7tA1 VAL 396 HA 0.18 0.24 0.90 -0.75 4.13 4.70 3k7tA1 VAL 396 HB 0.11 -0.20 -0.02 -0.04 2.12 1.97 3k7tA1 VAL 396 HG13 0.07 0.02 -0.33 -0.04 0.97 0.68 3k7tA1 VAL 396 HG23 0.09 -0.01 -0.25 -0.04 0.95 0.74 3k7tA1 GLY 397 H 0.15 0.20 0.17 -0.55 8.43 8.40 3k7tA1 GLY 397 HA2 0.15 -0.05 0.33 -0.51 4.01 3.93 3k7tA1 GLY 397 HA3 0.19 0.23 0.69 -0.51 4.01 4.62 3k7tA1 SER 398 H 0.13 0.18 0.14 -0.55 8.46 8.36 3k7tA1 SER 398 HA 0.14 0.18 0.56 -0.75 4.49 4.62 3k7tA1 SER 398 HB2 0.12 0.07 0.09 -0.04 3.95 4.19 3k7tA1 SER 398 HB3 0.15 -0.16 0.19 -0.04 3.93 4.06 3k7tA1 ASP 399 H 0.10 0.06 -0.15 -0.55 8.40 7.87 3k7tA1 ASP 399 HA 0.09 0.09 0.49 -0.75 4.63 4.55 3k7tA1 ASP 399 HB2 -0.07 0.11 -0.01 -0.04 2.71 2.70 3k7tA1 ASP 399 HB3 -0.17 0.07 0.04 -0.04 2.70 2.60 3k7tA1 VAL 400 H 0.15 0.04 -0.51 -0.55 8.24 7.37 3k7tA1 VAL 400 HA 0.06 0.23 0.64 -0.75 4.13 4.31 3k7tA1 VAL 400 HB 0.10 0.03 0.00 -0.04 2.12 2.21 3k7tA1 VAL 400 HG13 0.38 0.01 -0.35 -0.04 0.97 0.97 3k7tA1 VAL 400 HG23 0.20 0.02 -0.23 -0.04 0.95 0.89 3k7tA1 SER 401 H 0.16 -0.01 -0.43 -0.55 8.46 7.63 3k7tA1 SER 401 HA 0.09 0.02 0.41 -0.75 4.49 4.25 3k7tA1 SER 401 HB2 0.14 0.07 0.15 -0.04 3.95 4.26 3k7tA1 SER 401 HB3 0.18 0.07 -0.08 -0.04 3.93 4.05 3k7tA1 LEU 402 H 0.05 0.04 0.19 -0.55 8.37 8.10 3k7tA1 LEU 402 HA 0.14 0.15 0.64 -0.75 4.35 4.53 3k7tA1 LEU 402 HB2 0.00 -0.09 0.11 -0.04 1.64 1.63 3k7tA1 LEU 402 HB3 0.03 0.25 0.12 -0.04 1.64 2.00 3k7tA1 LEU 402 HG -0.03 -0.01 0.08 -0.04 1.64 1.64 3k7tA1 LEU 402 HD13 -0.02 0.04 0.06 -0.04 0.93 0.96 3k7tA1 LEU 402 HD23 -0.17 -0.00 -0.03 -0.04 0.89 0.64 3k7tA1 GLU 403 H 0.01 -0.10 0.04 -0.55 8.60 8.00 3k7tA1 GLU 403 HA -0.19 0.16 0.52 -0.75 4.29 4.03 3k7tA1 GLU 403 HB2 -0.02 0.03 0.08 -0.04 2.09 2.15 3k7tA1 GLU 403 HB3 0.07 -0.19 0.14 -0.04 1.99 1.96 3k7tA1 GLU 403 HG2 -0.10 0.09 -0.19 -0.04 2.34 2.10 3k7tA1 GLU 403 HG3 -0.09 0.03 0.02 -0.04 2.34 2.26 3k7tA1 PHE 404 H 0.13 -0.05 -0.10 -0.55 8.34 7.77 3k7tA1 PHE 404 HA -0.16 0.40 0.82 -0.75 4.62 4.93 3k7tA1 PHE 404 HB2 -0.04 -0.14 0.04 -0.04 3.15 2.96 3k7tA1 PHE 404 HB3 -0.06 -0.16 0.02 -0.04 3.06 2.82 3k7tA1 PHE 404 HD2 -0.43 -0.06 -0.11 -0.04 7.28 6.64 3k7tA1 PHE 404 HE2 -0.40 0.04 -0.01 -0.04 7.38 6.97 3k7tA1 PHE 404 HZ -0.48 -0.04 0.03 -0.04 7.32 6.78 3k7tA1 PRO 405 HA 0.26 0.07 0.68 -0.51 4.44 4.94 3k7tA1 PRO 405 HB2 0.46 0.01 -0.03 -0.04 2.28 2.68 3k7tA1 PRO 405 HB3 0.53 0.14 0.03 -0.04 2.02 2.68 3k7tA1 PRO 405 HG2 -0.23 0.00 -0.07 -0.04 2.03 1.70 3k7tA1 PRO 405 HG3 0.13 0.24 -0.18 -0.04 2.03 2.18 3k7tA1 PRO 405 HD2 -0.12 0.09 0.05 -0.04 3.68 3.66 3k7tA1 PRO 405 HD3 -0.17 0.34 -0.49 -0.04 3.65 3.29 3k7tA1 GLY 406 H 0.24 0.28 0.26 -0.55 8.43 8.67 3k7tA1 GLY 406 HA2 0.18 -0.11 0.32 -0.51 4.01 3.89 3k7tA1 GLY 406 HA3 0.15 0.21 0.51 -0.51 4.01 4.37 3k7tA1 TYR 407 H 0.25 0.20 -0.08 -0.55 8.29 8.10 3k7tA1 TYR 407 HA -0.03 0.27 0.83 -0.75 4.56 4.87 3k7tA1 TYR 407 HB2 0.06 0.08 -0.12 -0.04 3.06 3.04 3k7tA1 TYR 407 HB3 -0.28 -0.23 0.03 -0.04 2.98 2.46 3k7tA1 TYR 407 HD2 -0.01 0.02 -0.26 -0.04 7.15 6.86 3k7tA1 TYR 407 HE2 0.19 0.04 -0.10 -0.04 6.85 6.94 3k7tA1 ILE 408 H -0.03 0.32 0.12 -0.55 8.25 8.11 3k7tA1 ILE 408 HA -0.07 0.03 0.42 -0.75 4.18 3.80 3k7tA1 ILE 408 HB -0.16 0.05 0.06 -0.04 1.89 1.79 3k7tA1 ILE 408 HG12 -0.12 -0.04 0.02 -0.04 1.49 1.30 3k7tA1 ILE 408 HG13 -0.06 -0.01 0.04 -0.04 1.21 1.13 3k7tA1 ILE 408 HG23 -0.74 -0.00 -0.02 -0.04 0.93 0.12 3k7tA1 ILE 408 HD13 -0.03 0.07 -0.05 -0.04 0.88 0.83 3k7tA1 GLU 409 H -0.24 0.17 -0.13 -0.55 8.60 7.85 3k7tA1 GLU 409 HA -0.09 0.05 0.48 -0.75 4.29 3.97 3k7tA1 GLU 409 HB2 -0.40 -0.00 0.10 -0.04 2.09 1.75 3k7tA1 GLU 409 HB3 -0.42 0.07 0.05 -0.04 1.99 1.65 3k7tA1 GLU 409 HG2 -0.07 0.23 0.01 -0.04 2.34 2.47 3k7tA1 GLU 409 HG3 0.01 0.01 -0.20 -0.04 2.34 2.12 3k7tA1 GLY 410 H 0.06 0.21 -0.24 -0.55 8.43 7.91 3k7tA1 GLY 410 HA2 0.11 -0.01 0.48 -0.51 4.01 4.08 3k7tA1 GLY 410 HA3 0.15 0.35 0.41 -0.51 4.01 4.41 3k7tA1 ALA 411 H 0.06 0.29 -0.36 -0.55 8.40 7.84 3k7tA1 ALA 411 HA 0.11 -0.01 0.35 -0.75 4.34 4.04 3k7tA1 ALA 411 HB3 0.12 0.02 0.02 -0.04 1.41 1.53 3k7tA1 LEU 412 H 0.03 0.32 -0.22 -0.55 8.37 7.95 3k7tA1 LEU 412 HA 0.08 0.13 0.54 -0.75 4.35 4.35 3k7tA1 LEU 412 HB2 0.02 0.02 0.06 -0.04 1.64 1.70 3k7tA1 LEU 412 HB3 0.05 0.04 -0.01 -0.04 1.64 1.69 3k7tA1 LEU 412 HG -0.05 0.17 0.02 -0.04 1.64 1.74 3k7tA1 LEU 412 HD13 -0.03 -0.02 -0.17 -0.04 0.93 0.67 3k7tA1 LEU 412 HD23 0.16 0.01 -0.09 -0.04 0.89 0.93 3k7tA1 GLU 413 H 0.05 0.48 -0.02 -0.55 8.60 8.57 3k7tA1 GLU 413 HA 0.04 0.09 0.50 -0.75 4.29 4.17 3k7tA1 GLU 413 HB2 0.05 -0.01 0.10 -0.04 2.09 2.19 3k7tA1 GLU 413 HB3 0.07 0.00 0.19 -0.04 1.99 2.21 3k7tA1 GLU 413 HG2 0.04 0.03 -0.07 -0.04 2.34 2.30 3k7tA1 GLU 413 HG3 0.06 0.01 0.01 -0.04 2.34 2.38 3k7tA1 THR 414 H 0.07 0.36 -0.14 -0.55 8.28 8.03 3k7tA1 THR 414 HA 0.06 0.14 0.50 -0.75 4.39 4.33 3k7tA1 THR 414 HB 0.10 0.04 0.10 -0.04 4.32 4.52 3k7tA1 THR 414 HG23 0.09 0.03 0.05 -0.04 1.22 1.35 3k7tA1 ALA 415 H 0.07 0.26 -0.27 -0.55 8.40 7.91 3k7tA1 ALA 415 HA 0.04 0.05 0.41 -0.75 4.34 4.08 3k7tA1 ALA 415 HB3 0.06 0.00 0.14 -0.04 1.41 1.57 3k7tA1 GLU 416 H 0.04 0.32 -0.41 -0.55 8.60 8.00 3k7tA1 GLU 416 HA 0.03 0.04 0.45 -0.75 4.29 4.06 3k7tA1 GLU 416 HB2 0.03 0.14 0.15 -0.04 2.09 2.37 3k7tA1 GLU 416 HB3 0.03 0.15 0.11 -0.04 1.99 2.23 3k7tA1 GLU 416 HG2 0.02 -0.00 -0.07 -0.04 2.34 2.24 3k7tA1 GLU 416 HG3 0.03 -0.01 0.05 -0.04 2.34 2.36 3k7tA1 CYS 417 H 0.02 0.32 -0.26 -0.55 8.50 8.04 3k7tA1 CYS 417 HA 0.00 0.06 0.51 -0.75 4.58 4.40 3k7tA1 CYS 417 HB2 0.03 0.17 0.15 -0.04 2.97 3.28 3k7tA1 CYS 417 HB3 0.02 0.00 0.06 -0.04 2.97 3.01 3k7tA1 ALA 418 H -0.01 0.27 -0.27 -0.55 8.40 7.85 3k7tA1 ALA 418 HA -0.17 0.11 0.49 -0.75 4.34 4.01 3k7tA1 ALA 418 HB3 -0.12 0.03 0.00 -0.04 1.41 1.28 3k7tA1 VAL 419 H -0.04 0.42 -0.17 -0.55 8.24 7.90 3k7tA1 VAL 419 HA -0.06 0.05 0.48 -0.75 4.13 3.85 3k7tA1 VAL 419 HB 0.01 0.09 0.11 -0.04 2.12 2.30 3k7tA1 VAL 419 HG13 0.02 -0.01 -0.17 -0.04 0.97 0.76 3k7tA1 VAL 419 HG23 -0.01 0.06 0.03 -0.04 0.95 1.00 3k7tA1 ASN 420 H 0.02 0.42 -0.22 -0.55 8.53 8.20 3k7tA1 ASN 420 HA 0.30 0.02 0.41 -0.75 4.76 4.73 3k7tA1 ASN 420 HB2 0.00 0.09 0.13 -0.04 2.88 3.06 3k7tA1 ASN 420 HB3 -0.06 -0.02 -0.00 -0.04 2.79 2.67 3k7tA1 ASN 420 HD21 -0.05 -0.05 -0.02 -0.04 7.03 6.88 3k7tA1 ASN 420 HD22 -0.09 -0.01 -0.01 -0.04 7.74 7.59 3k7tA1 ALA 421 H -0.01 0.26 -0.50 -0.55 8.40 7.60 3k7tA1 ALA 421 HA 0.07 0.08 0.40 -0.75 4.34 4.13 3k7tA1 ALA 421 HB3 0.05 0.04 0.05 -0.04 1.41 1.51 3k7tA1 ILE 422 H -0.05 0.28 -0.27 -0.55 8.25 7.66 3k7tA1 ILE 422 HA 0.05 0.10 0.50 -0.75 4.18 4.07 3k7tA1 ILE 422 HB -0.04 0.04 0.12 -0.04 1.89 1.97 3k7tA1 ILE 422 HG12 0.08 -0.01 -0.03 -0.04 1.49 1.49 3k7tA1 ILE 422 HG13 -0.26 0.13 0.02 -0.04 1.21 1.06 3k7tA1 ILE 422 HG23 0.01 -0.01 -0.11 -0.04 0.93 0.78 3k7tA1 ILE 422 HD13 -0.10 -0.04 -0.12 -0.04 0.88 0.59 3k7tA1 LEU 423 H -0.01 0.48 -0.04 -0.55 8.37 8.26 3k7tA1 LEU 423 HA -0.11 0.07 0.38 -0.75 4.35 3.94 3k7tA1 LEU 423 HB2 -0.31 0.02 0.07 -0.04 1.64 1.37 3k7tA1 LEU 423 HB3 -0.36 -0.02 0.01 -0.04 1.64 1.23 3k7tA1 LEU 423 HG -0.04 0.16 0.07 -0.04 1.64 1.79 3k7tA1 LEU 423 HD13 -0.04 -0.01 -0.05 -0.04 0.93 0.80 3k7tA1 LEU 423 HD23 -0.05 -0.01 -0.02 -0.04 0.89 0.76 3k7tA1 HIS 424 H 0.11 0.39 -0.29 -0.55 8.41 8.08 3k7tA1 HIS 424 HA 0.00 0.13 0.67 -0.75 4.63 4.68 3k7tA1 HIS 424 HB2 0.00 0.15 0.13 -0.04 3.26 3.51 3k7tA1 HIS 424 HB3 0.00 -0.07 0.16 -0.04 3.20 3.25 3k7tA1 HIS 424 HD2 0.00 -0.02 -0.02 -0.04 6.97 6.89 3k7tA1 HIS 424 HE1 -0.00 -0.04 -0.03 -0.04 7.75 7.64 3k7tA1 SER 425 H 0.02 0.24 -0.74 -0.55 8.46 7.44