============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. HIS 26 0.900 56.800 12.489 -5.212 -99.200 -91.000 TYR 29 0.840 50.615 16.834 -7.990 -99.200 -91.000 HIS 31 0.900 42.856 14.669 -0.767 -99.200 -91.000 PHE 34 1.000 35.344 12.745 -4.580 -99.200 -91.000 HIS 40 0.900 31.371 17.048 7.744 -99.200 -91.000 TYR 43 0.840 23.747 7.078 5.517 -99.200 -91.000 TYR 49 0.840 29.561 15.032 -2.376 -99.200 -91.000 TYR 55 0.840 37.561 10.789 -13.916 -99.200 -91.000 HIS 57 0.900 32.545 -0.076 -14.052 -99.200 -91.000 PHE 59 1.000 24.852 1.844 -12.246 -99.200 -91.000 HIS 61 0.900 34.152 4.595 -7.012 -99.200 -91.000 TYR 65 0.840 26.763 5.502 -0.523 -99.200 -91.000 HIS 97 0.900 37.451 -2.785 -19.350 -99.200 -91.000 PHE 100 1.000 43.675 -0.625 -21.155 -99.200 -91.000 PHE 114 1.000 40.650 7.770 -30.862 -99.200 -91.000 PHE 115 1.000 35.521 8.906 -36.941 -99.200 -91.000 TYR 116 0.840 34.396 2.630 -37.420 -99.200 -91.000 PHE 118 1.000 34.777 10.745 -29.282 -99.200 -91.000 PHE 128 1.000 25.688 5.075 -19.099 -99.200 -91.000 TRP 130 1.040 17.951 7.655 -25.882 -99.200 -91.000 TRP6 130 1.020 15.811 8.430 -26.483 -99.200 -91.000 PHE 136 1.000 30.713 12.038 -18.514 -99.200 -91.000 HIS 137 0.900 30.283 12.787 -12.754 -99.200 -91.000 HIS 138 0.900 25.542 7.617 -15.030 -99.200 -91.000 TYR 140 0.840 17.952 5.072 -13.504 -99.200 -91.000 PHE 154 1.000 18.429 1.377 -21.820 -99.200 -91.000 HIS 167 0.900 31.005 -7.200 -36.305 -99.200 -91.000 TYR 172 0.840 37.541 -2.061 -31.258 -99.200 -91.000 PHE 176 1.000 45.093 -3.158 -29.499 -99.200 -91.000 PHE 182 1.000 49.617 -4.674 -27.975 -99.200 -91.000 TYR 183 0.840 55.595 -11.209 -30.284 -99.200 -91.000 TYR 214 0.840 39.835 -11.474 -5.707 -99.200 -91.000 TYR 220 0.840 35.261 -12.789 -1.314 -99.200 -91.000 TYR 222 0.840 29.234 -7.443 -7.166 -99.200 -91.000 TYR 225 0.840 27.543 -8.646 -12.007 -99.200 -91.000 TYR 228 0.840 23.034 -11.812 -14.888 -99.200 -91.000 PHE 230 1.000 30.605 -12.605 -14.584 -99.200 -91.000 PHE 241 1.000 50.222 -9.623 -27.053 -99.200 -91.000 HIS 283 0.900 -0.505 7.749 -6.250 -99.200 -91.000 TYR 294 0.840 6.464 7.828 7.211 -99.200 -91.000 HIS 295 0.900 8.006 14.866 -0.532 -99.200 -91.000 PHE 296 1.000 9.054 19.301 5.872 -99.200 -91.000 HIS 298 0.900 13.283 9.814 1.547 -99.200 -91.000 TYR 299 0.840 12.650 13.780 -1.563 -99.200 -91.000 PHE 303 1.000 17.652 6.466 4.098 -99.200 -91.000 HIS 304 0.900 18.052 9.731 11.466 -99.200 -91.000 TYR 311 0.840 35.140 -3.684 1.964 -99.200 -91.000 TYR 323 0.840 32.056 3.948 -1.874 -99.200 -91.000 TYR 324 0.840 35.292 -0.153 7.617 -99.200 -91.000 TYR 334 0.840 31.815 8.911 13.818 -99.200 -91.000 PHE 343 1.000 46.343 5.069 -2.036 -99.200 -91.000 TYR 351 0.840 58.495 -6.573 -9.649 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3i9v41 MET 26 HA 0.01 -0.09 0.20 -0.75 4.52 3.88 3i9v41 MET 26 HB2 0.00 -0.05 0.07 -0.04 2.15 2.13 3i9v41 MET 26 HB3 0.00 0.04 0.18 -0.04 2.03 2.21 3i9v41 MET 26 HG2 0.01 0.03 -0.20 -0.04 2.63 2.43 3i9v41 MET 26 HG3 0.01 -0.03 -0.12 -0.04 2.56 2.38 3i9v41 MET 26 HE3 0.00 0.04 0.16 -0.04 2.10 2.26 3i9v41 THR 27 H 0.01 0.10 0.06 -0.55 8.28 7.90 3i9v41 THR 27 HA 0.01 0.16 0.94 -0.75 4.39 4.75 3i9v41 THR 27 HB 0.02 -0.05 0.14 -0.04 4.32 4.38 3i9v41 THR 27 HG23 0.03 0.02 -0.30 -0.04 1.22 0.92 3i9v41 LEU 28 H 0.01 0.39 0.27 -0.55 8.37 8.49 3i9v41 LEU 28 HA 0.01 0.06 0.71 -0.75 4.35 4.37 3i9v41 LEU 28 HB2 0.01 0.02 0.04 -0.04 1.64 1.67 3i9v41 LEU 28 HB3 0.01 0.07 0.12 -0.04 1.64 1.80 3i9v41 LEU 28 HG 0.01 -0.04 -0.21 -0.04 1.64 1.36 3i9v41 LEU 28 HD13 0.01 -0.02 0.01 -0.04 0.93 0.88 3i9v41 LEU 28 HD23 0.01 0.00 -0.04 -0.04 0.89 0.82 3i9v41 ASN 29 H 0.02 0.13 0.08 -0.55 8.53 8.21 3i9v41 ASN 29 HA 0.04 0.28 0.90 -0.75 4.76 5.22 3i9v41 ASN 29 HB2 0.03 0.02 -0.04 -0.04 2.88 2.85 3i9v41 ASN 29 HB3 0.02 -0.04 0.19 -0.04 2.79 2.93 3i9v41 ASN 29 HD21 0.03 -0.01 -0.07 -0.04 7.03 6.94 3i9v41 ASN 29 HD22 0.02 -0.02 0.01 -0.04 7.74 7.70 3i9v41 VAL 30 H 0.02 0.31 0.09 -0.55 8.24 8.11 3i9v41 VAL 30 HA 0.01 0.08 0.70 -0.75 4.13 4.16 3i9v41 VAL 30 HB 0.01 0.01 0.16 -0.04 2.12 2.26 3i9v41 VAL 30 HG13 0.01 -0.00 -0.14 -0.04 0.97 0.80 3i9v41 VAL 30 HG23 0.01 -0.00 -0.07 -0.04 0.95 0.85 3i9v41 GLY 31 H -0.01 0.24 0.13 -0.55 8.43 8.25 3i9v41 GLY 31 HA2 -0.00 0.22 0.79 -0.51 4.01 4.50 3i9v41 GLY 31 HA3 -0.02 -0.03 0.23 -0.51 4.01 3.67 3i9v41 GLY 39 HA2 0.03 0.03 0.27 -0.51 4.01 3.83 3i9v41 GLY 39 HA3 0.05 -0.09 0.25 -0.51 4.01 3.71 3i9v41 VAL 40 H 0.05 0.04 0.03 -0.55 8.24 7.82 3i9v41 VAL 40 HA -0.04 0.24 0.59 -0.75 4.13 4.16 3i9v41 VAL 40 HB 0.03 0.07 -0.00 -0.04 2.12 2.17 3i9v41 VAL 40 HG13 0.09 -0.03 -0.05 -0.04 0.97 0.94 3i9v41 VAL 40 HG23 0.06 -0.01 0.05 -0.04 0.95 1.01 3i9v41 LEU 41 H 0.02 0.28 -0.20 -0.55 8.37 7.92 3i9v41 LEU 41 HA 0.11 0.10 0.77 -0.75 4.35 4.58 3i9v41 LEU 41 HB2 0.08 -0.08 0.01 -0.04 1.64 1.61 3i9v41 LEU 41 HB3 0.05 0.08 0.07 -0.04 1.64 1.79 3i9v41 LEU 41 HG 0.04 0.03 -0.40 -0.04 1.64 1.27 3i9v41 LEU 41 HD13 0.08 -0.01 -0.03 -0.04 0.93 0.92 3i9v41 LEU 41 HD23 0.04 0.01 -0.09 -0.04 0.89 0.81 3i9v41 ARG 42 H 0.14 0.44 0.26 -0.55 8.46 8.74 3i9v41 ARG 42 HA 0.01 0.09 1.03 -0.75 4.34 4.71 3i9v41 ARG 42 HB2 -0.14 0.01 -0.14 -0.04 1.90 1.59 3i9v41 ARG 42 HB3 0.23 0.06 0.10 -0.04 1.80 2.15 3i9v41 ARG 42 HG2 0.11 0.06 -0.30 -0.04 1.67 1.49 3i9v41 ARG 42 HG3 0.02 0.02 -0.14 -0.04 1.67 1.52 3i9v41 ARG 42 HD2 0.24 -0.01 -0.10 -0.04 3.22 3.31 3i9v41 ARG 42 HD3 0.31 -0.02 -0.20 -0.04 3.22 3.27 3i9v41 LEU 43 H 0.04 0.75 0.25 -0.55 8.37 8.87 3i9v41 LEU 43 HA 0.01 0.12 1.00 -0.75 4.35 4.72 3i9v41 LEU 43 HB2 0.02 0.17 0.16 -0.04 1.64 1.95 3i9v41 LEU 43 HB3 0.01 -0.08 -0.11 -0.04 1.64 1.42 3i9v41 LEU 43 HG 0.02 -0.04 -0.30 -0.04 1.64 1.28 3i9v41 LEU 43 HD13 0.01 0.00 -0.10 -0.04 0.93 0.80 3i9v41 LEU 43 HD23 -0.00 0.02 -0.15 -0.04 0.89 0.71 3i9v41 MET 44 H -0.02 0.70 0.11 -0.55 8.47 8.71 3i9v41 MET 44 HA 0.06 0.19 0.83 -0.75 4.52 4.85 3i9v41 MET 44 HB2 0.02 0.28 0.28 -0.04 2.15 2.69 3i9v41 MET 44 HB3 0.06 -0.06 0.24 -0.04 2.03 2.23 3i9v41 MET 44 HG2 0.23 -0.03 -0.12 -0.04 2.63 2.66 3i9v41 MET 44 HG3 0.35 -0.01 -0.01 -0.04 2.56 2.84 3i9v41 MET 44 HE3 0.05 0.04 -0.21 -0.04 2.10 1.93 3i9v41 VAL 45 H 0.02 0.30 -0.15 -0.55 8.24 7.85 3i9v41 VAL 45 HA 0.00 0.02 0.46 -0.75 4.13 3.86 3i9v41 VAL 45 HB 0.01 -0.02 0.13 -0.04 2.12 2.20 3i9v41 VAL 45 HG13 0.00 0.01 -0.15 -0.04 0.97 0.79 3i9v41 VAL 45 HG23 0.01 0.01 -0.03 -0.04 0.95 0.90 3i9v41 THR 46 H 0.00 0.61 0.47 -0.55 8.28 8.82 3i9v41 THR 46 HA 0.01 0.06 0.74 -0.75 4.39 4.45 3i9v41 THR 46 HB 0.00 -0.05 0.30 -0.04 4.32 4.53 3i9v41 THR 46 HG23 0.00 -0.03 -0.12 -0.04 1.22 1.03 3i9v41 LEU 47 H 0.00 0.47 0.05 -0.55 8.37 8.34 3i9v41 LEU 47 HA -0.00 -0.14 0.70 -0.75 4.35 4.15 3i9v41 LEU 47 HB2 0.00 0.03 -0.45 -0.04 1.64 1.17 3i9v41 LEU 47 HB3 0.00 0.06 -0.09 -0.04 1.64 1.57 3i9v41 LEU 47 HG 0.00 -0.02 -0.52 -0.04 1.64 1.05 3i9v41 LEU 47 HD13 -0.00 -0.09 -0.70 -0.04 0.93 0.10 3i9v41 LEU 47 HD23 0.00 0.00 -0.18 -0.04 0.89 0.68 3i9v41 SER 48 H -0.00 0.10 0.06 -0.55 8.46 8.07 3i9v41 SER 48 HA 0.00 0.22 1.00 -0.75 4.49 4.96 3i9v41 SER 48 HB2 -0.00 -0.06 0.13 -0.04 3.95 3.98 3i9v41 SER 48 HB3 -0.00 -0.04 0.02 -0.04 3.93 3.87 3i9v41 GLY 49 H 0.00 0.28 0.11 -0.55 8.43 8.27 3i9v41 GLY 49 HA2 -0.00 0.02 0.33 -0.51 4.01 3.85 3i9v41 GLY 49 HA3 -0.00 0.07 0.91 -0.51 4.01 4.48 3i9v41 GLU 50 H -0.00 -0.05 0.15 -0.55 8.60 8.15 3i9v41 GLU 50 HA 0.00 0.20 0.73 -0.75 4.29 4.47 3i9v41 GLU 50 HB2 -0.00 -0.08 -0.14 -0.04 2.09 1.83 3i9v41 GLU 50 HB3 -0.00 0.02 -0.04 -0.04 1.99 1.93 3i9v41 GLU 50 HG2 0.00 -0.04 0.02 -0.04 2.34 2.28 3i9v41 GLU 50 HG3 0.00 -0.05 0.11 -0.04 2.34 2.36 3i9v41 GLU 51 H -0.00 -0.20 0.04 -0.55 8.60 7.89 3i9v41 GLU 51 HA -0.01 0.34 0.49 -0.75 4.29 4.37 3i9v41 GLU 51 HB2 -0.01 -0.06 0.12 -0.04 2.09 2.10 3i9v41 GLU 51 HB3 -0.01 -0.02 0.24 -0.04 1.99 2.15 3i9v41 GLU 51 HG2 -0.01 0.08 0.05 -0.04 2.34 2.42 3i9v41 GLU 51 HG3 -0.01 -0.15 0.10 -0.04 2.34 2.24 3i9v41 VAL 52 H -0.02 0.11 0.04 -0.55 8.24 7.83 3i9v41 VAL 52 HA -0.01 0.07 0.38 -0.75 4.13 3.82 3i9v41 VAL 52 HB -0.02 -0.19 0.12 -0.04 2.12 2.00 3i9v41 VAL 52 HG13 -0.01 -0.00 -0.20 -0.04 0.97 0.72 3i9v41 VAL 52 HG23 -0.00 0.08 -0.16 -0.04 0.95 0.83 3i9v41 LEU 53 H -0.01 0.39 0.24 -0.55 8.37 8.44 3i9v41 LEU 53 HA -0.02 0.05 0.57 -0.75 4.35 4.19 3i9v41 LEU 53 HB2 -0.00 0.18 -0.01 -0.04 1.64 1.77 3i9v41 LEU 53 HB3 -0.01 0.00 0.00 -0.04 1.64 1.60 3i9v41 LEU 53 HG -0.00 -0.02 -0.00 -0.04 1.64 1.58 3i9v41 LEU 53 HD13 -0.01 0.01 0.03 -0.04 0.93 0.92 3i9v41 LEU 53 HD23 -0.01 -0.05 -0.02 -0.04 0.89 0.77 3i9v41 GLU 54 H -0.01 0.32 0.21 -0.55 8.60 8.58 3i9v41 GLU 54 HA -0.02 0.14 0.40 -0.75 4.29 4.07 3i9v41 GLU 54 HB2 -0.01 0.05 0.06 -0.04 2.09 2.15 3i9v41 GLU 54 HB3 -0.01 0.07 -0.08 -0.04 1.99 1.93 3i9v41 GLU 54 HG2 -0.00 -0.07 0.02 -0.04 2.34 2.25 3i9v41 GLU 54 HG3 -0.01 -0.00 -0.06 -0.04 2.34 2.23 3i9v41 VAL 55 H -0.01 0.24 0.07 -0.55 8.24 7.99 3i9v41 VAL 55 HA -0.01 0.05 0.67 -0.75 4.13 4.09 3i9v41 VAL 55 HB -0.01 0.02 0.08 -0.04 2.12 2.17 3i9v41 VAL 55 HG13 -0.01 -0.01 -0.20 -0.04 0.97 0.71 3i9v41 VAL 55 HG23 -0.00 0.02 -0.07 -0.04 0.95 0.85 3i9v41 VAL 56 H -0.04 0.31 -0.08 -0.55 8.24 7.88 3i9v41 VAL 56 HA -0.09 0.27 0.98 -0.75 4.13 4.54 3i9v41 VAL 56 HB -0.06 0.01 0.19 -0.04 2.12 2.22 3i9v41 VAL 56 HG13 -0.20 0.00 -0.07 -0.04 0.97 0.67 3i9v41 VAL 56 HG23 -0.03 -0.00 -0.13 -0.04 0.95 0.75 3i9v41 PRO 57 HA -0.09 0.13 0.57 -0.51 4.44 4.55 3i9v41 PRO 57 HB2 -0.03 -0.02 -0.06 -0.04 2.28 2.13 3i9v41 PRO 57 HB3 -0.04 0.02 0.01 -0.04 2.02 1.97 3i9v41 PRO 57 HG2 -0.09 0.00 0.05 -0.04 2.03 1.95 3i9v41 PRO 57 HG3 -0.06 0.11 0.04 -0.04 2.03 2.08 3i9v41 PRO 57 HD2 -0.10 0.10 0.24 -0.04 3.68 3.88 3i9v41 PRO 57 HD3 -0.06 0.22 -0.03 -0.04 3.65 3.73 3i9v41 HIS 58 H 0.09 0.68 0.34 -0.55 8.41 8.97 3i9v41 HIS 58 HA 0.06 0.15 0.88 -0.75 4.63 4.96 3i9v41 HIS 58 HB2 0.17 -0.04 0.10 -0.04 3.26 3.45 3i9v41 HIS 58 HB3 0.13 -0.00 -0.02 -0.04 3.20 3.27 3i9v41 HIS 58 HD2 0.06 -0.06 -0.18 -0.04 6.97 6.74 3i9v41 HIS 58 HE1 0.02 -0.04 -0.04 -0.04 7.75 7.65 3i9v41 ILE 59 H 0.13 0.25 0.14 -0.55 8.25 8.23 3i9v41 ILE 59 HA 0.29 0.17 1.02 -0.75 4.18 4.91 3i9v41 ILE 59 HB 0.17 -0.15 0.10 -0.04 1.89 1.97 3i9v41 ILE 59 HG12 0.13 0.03 -0.36 -0.04 1.49 1.25 3i9v41 ILE 59 HG13 0.20 0.04 -0.12 -0.04 1.21 1.28 3i9v41 ILE 59 HG23 0.11 0.02 -0.18 -0.04 0.93 0.84 3i9v41 ILE 59 HD13 0.10 0.01 -0.00 -0.04 0.88 0.95 3i9v41 GLY 60 H 0.12 -0.19 0.24 -0.55 8.43 8.06 3i9v41 GLY 60 HA2 0.01 0.04 0.32 -0.51 4.01 3.87 3i9v41 GLY 60 HA3 -0.15 0.28 0.83 -0.51 4.01 4.47 3i9v41 TYR 61 H 0.20 -0.15 0.22 -0.55 8.29 8.01 3i9v41 TYR 61 HA 0.06 0.24 0.55 -0.75 4.56 4.66 3i9v41 TYR 61 HB2 0.07 0.10 0.16 -0.04 3.06 3.35 3i9v41 TYR 61 HB3 0.05 0.03 0.09 -0.04 2.98 3.11 3i9v41 TYR 61 HD2 0.05 -0.03 0.04 -0.04 7.15 7.17 3i9v41 TYR 61 HE2 0.05 0.07 -0.12 -0.04 6.85 6.82 3i9v41 LEU 62 H 0.19 -0.05 -0.08 -0.55 8.37 7.88 3i9v41 LEU 62 HA 0.11 0.33 0.74 -0.75 4.35 4.78 3i9v41 LEU 62 HB2 0.16 -0.09 -0.05 -0.04 1.64 1.62 3i9v41 LEU 62 HB3 0.15 -0.02 0.12 -0.04 1.64 1.85 3i9v41 LEU 62 HG 0.12 -0.01 -0.10 -0.04 1.64 1.61 3i9v41 LEU 62 HD13 0.13 -0.03 -0.04 -0.04 0.93 0.94 3i9v41 LEU 62 HD23 0.06 0.07 0.04 -0.04 0.89 1.03 3i9v41 HIS 63 H 0.17 0.28 -0.58 -0.55 8.41 7.75 3i9v41 HIS 63 HA 0.08 -0.01 0.20 -0.75 4.63 4.15 3i9v41 HIS 63 HB2 0.02 -0.08 0.06 -0.04 3.26 3.22 3i9v41 HIS 63 HB3 0.00 0.18 0.12 -0.04 3.20 3.46 3i9v41 HIS 63 HD2 -0.01 0.03 -0.04 -0.04 6.97 6.91 3i9v41 HIS 63 HE1 0.01 -0.01 0.04 -0.04 7.75 7.75 3i9v41 THR 64 H 0.05 0.10 0.20 -0.55 8.28 8.08 3i9v41 THR 64 HA -0.18 0.18 0.54 -0.75 4.39 4.17 3i9v41 THR 64 HB -0.12 -0.10 0.11 -0.04 4.32 4.17 3i9v41 THR 64 HG23 -0.52 0.01 -0.08 -0.04 1.22 0.59 3i9v41 GLY 65 H -0.33 -0.03 -0.00 -0.55 8.43 7.52 3i9v41 GLY 65 HA2 -0.21 0.05 0.30 -0.51 4.01 3.64 3i9v41 GLY 65 HA3 -0.27 0.16 0.59 -0.51 4.01 3.98 3i9v41 PHE 66 H 0.40 0.42 0.09 -0.55 8.34 8.69 3i9v41 PHE 66 HA 0.06 0.08 0.31 -0.75 4.62 4.31 3i9v41 PHE 66 HB2 0.01 0.03 0.11 -0.04 3.15 3.26 3i9v41 PHE 66 HB3 0.05 0.03 -0.02 -0.04 3.06 3.08 3i9v41 PHE 66 HD2 0.02 0.09 0.08 -0.04 7.28 7.43 3i9v41 PHE 66 HE2 -0.09 -0.03 0.03 -0.04 7.38 7.25 3i9v41 PHE 66 HZ -0.08 0.12 -0.04 -0.04 7.32 7.28 3i9v41 GLU 67 H 0.15 0.16 -0.16 -0.55 8.60 8.20 3i9v41 GLU 67 HA 0.09 0.15 0.26 -0.75 4.29 4.04 3i9v41 GLU 67 HB2 0.07 -0.03 0.06 -0.04 2.09 2.15 3i9v41 GLU 67 HB3 0.05 -0.00 0.04 -0.04 1.99 2.04 3i9v41 GLU 67 HG2 0.07 0.28 0.24 -0.04 2.34 2.90 3i9v41 GLU 67 HG3 0.06 -0.03 0.12 -0.04 2.34 2.46 3i9v41 LYS 68 H 0.04 0.23 -0.44 -0.55 8.42 7.70 3i9v41 LYS 68 HA 0.02 0.16 0.77 -0.75 4.32 4.51 3i9v41 LYS 68 HB2 0.03 -0.04 0.03 -0.04 1.87 1.85 3i9v41 LYS 68 HB3 0.01 0.09 0.14 -0.04 1.79 1.99 3i9v41 LYS 68 HG2 0.01 -0.00 -0.04 -0.04 1.46 1.39 3i9v41 LYS 68 HG3 0.07 0.02 -0.20 -0.04 1.46 1.30 3i9v41 LYS 68 HD2 0.03 0.03 0.05 -0.04 1.69 1.76 3i9v41 LYS 68 HD3 0.02 -0.03 0.00 -0.04 1.68 1.64 3i9v41 LYS 68 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 3i9v41 LYS 68 HE3 0.06 0.01 -0.03 -0.04 2.99 2.99 3i9v41 THR 69 H -0.01 0.37 0.10 -0.55 8.28 8.19 3i9v41 THR 69 HA 0.03 0.07 0.36 -0.75 4.39 4.09 3i9v41 THR 69 HB -0.04 -0.01 0.09 -0.04 4.32 4.31 3i9v41 THR 69 HG23 -0.06 0.06 0.05 -0.04 1.22 1.22 3i9v41 MET 70 H -0.04 0.30 -0.54 -0.55 8.47 7.65 3i9v41 MET 70 HA -0.33 0.11 0.65 -0.75 4.52 4.20 3i9v41 MET 70 HB2 -0.02 0.15 -0.00 -0.04 2.15 2.23 3i9v41 MET 70 HB3 -0.11 -0.03 -0.08 -0.04 2.03 1.77 3i9v41 MET 70 HG2 -0.33 -0.05 -0.02 -0.04 2.63 2.18 3i9v41 MET 70 HG3 -0.26 -0.02 -0.11 -0.04 2.56 2.13 3i9v41 MET 70 HE3 -0.19 -0.03 -0.18 -0.04 2.10 1.66 3i9v41 GLU 71 H -0.09 0.31 -0.28 -0.55 8.60 8.00 3i9v41 GLU 71 HA -0.22 0.36 0.57 -0.75 4.29 4.25 3i9v41 GLU 71 HB2 -0.34 0.07 0.08 -0.04 2.09 1.86 3i9v41 GLU 71 HB3 -0.40 -0.02 0.18 -0.04 1.99 1.71 3i9v41 GLU 71 HG2 -0.15 -0.04 -0.16 -0.04 2.34 1.95 3i9v41 GLU 71 HG3 -0.09 0.06 0.13 -0.04 2.34 2.40 3i9v41 HIS 72 H -0.14 0.13 -1.08 -0.55 8.41 6.78 3i9v41 HIS 72 HA -0.13 0.15 0.79 -0.75 4.63 4.69 3i9v41 HIS 72 HB2 -0.12 0.09 0.02 -0.04 3.26 3.21 3i9v41 HIS 72 HB3 -0.10 -0.08 0.15 -0.04 3.20 3.13 3i9v41 HIS 72 HD2 -0.07 -0.05 -0.02 -0.04 6.97 6.78 3i9v41 HIS 72 HE1 -0.08 -0.06 -0.07 -0.04 7.75 7.49 3i9v41 ARG 73 H -0.22 0.39 -0.07 -0.55 8.46 8.00 3i9v41 ARG 73 HA -0.15 0.10 0.71 -0.75 4.34 4.26 3i9v41 ARG 73 HB2 -0.36 0.04 -0.09 -0.04 1.90 1.45 3i9v41 ARG 73 HB3 -0.27 0.00 -0.06 -0.04 1.80 1.42 3i9v41 ARG 73 HG2 -0.29 -0.04 -0.07 -0.04 1.67 1.23 3i9v41 ARG 73 HG3 -0.13 -0.08 0.12 -0.04 1.67 1.54 3i9v41 ARG 73 HD2 -0.09 0.37 0.13 -0.04 3.22 3.58 3i9v41 ARG 73 HD3 -0.22 0.09 -0.27 -0.04 3.22 2.78 3i9v41 THR 74 H -0.16 0.08 0.16 -0.55 8.28 7.82 3i9v41 THR 74 HA -0.26 0.39 0.58 -0.75 4.39 4.34 3i9v41 THR 74 HB -0.15 -0.50 0.11 -0.04 4.32 3.75 3i9v41 THR 74 HG23 -0.26 0.01 0.26 -0.04 1.22 1.18 3i9v41 TYR 75 H -0.17 0.34 0.31 -0.55 8.29 8.21 3i9v41 TYR 75 HA 0.07 0.13 0.59 -0.75 4.56 4.61 3i9v41 TYR 75 HB2 -0.20 0.02 0.17 -0.04 3.06 3.01 3i9v41 TYR 75 HB3 0.11 -0.03 0.02 -0.04 2.98 3.04 3i9v41 TYR 75 HD2 0.01 0.04 0.01 -0.04 7.15 7.18 3i9v41 TYR 75 HE2 0.00 0.09 -0.16 -0.04 6.85 6.75 3i9v41 LEU 76 H -0.15 0.13 0.01 -0.55 8.37 7.81 3i9v41 LEU 76 HA 0.07 0.09 0.44 -0.75 4.35 4.20 3i9v41 LEU 76 HB2 -0.11 0.06 0.10 -0.04 1.64 1.65 3i9v41 LEU 76 HB3 -0.11 0.02 0.09 -0.04 1.64 1.60 3i9v41 LEU 76 HG 0.04 0.00 -0.30 -0.04 1.64 1.34 3i9v41 LEU 76 HD13 0.08 -0.01 0.08 -0.04 0.93 1.04 3i9v41 LEU 76 HD23 0.13 0.03 -0.03 -0.04 0.89 0.98 3i9v41 GLN 77 H -0.08 0.00 -0.33 -0.55 8.47 7.52 3i9v41 GLN 77 HA 0.01 0.12 0.38 -0.75 4.36 4.11 3i9v41 GLN 77 HB2 -0.11 -0.08 0.15 -0.04 2.15 2.06 3i9v41 GLN 77 HB3 -0.06 0.05 0.01 -0.04 2.02 1.98 3i9v41 GLN 77 HG2 -0.00 0.04 0.06 -0.04 2.40 2.46 3i9v41 GLN 77 HG3 -0.04 0.01 0.06 -0.04 2.39 2.38 3i9v41 GLN 77 HE21 -0.03 0.03 0.06 -0.04 6.97 6.98 3i9v41 GLN 77 HE22 -0.01 0.01 0.05 -0.04 7.69 7.69 3i9v41 ASN 78 H -0.07 0.39 -0.48 -0.55 8.53 7.82 3i9v41 ASN 78 HA -0.18 0.04 0.40 -0.75 4.76 4.26 3i9v41 ASN 78 HB2 -0.13 0.15 0.06 -0.04 2.88 2.92 3i9v41 ASN 78 HB3 -0.56 -0.11 0.03 -0.04 2.79 2.11 3i9v41 ASN 78 HD21 -0.27 0.20 -0.02 -0.04 7.03 6.90 3i9v41 ASN 78 HD22 -0.13 -0.10 -0.03 -0.04 7.74 7.45 3i9v41 ILE 79 H 0.01 0.44 -0.67 -0.55 8.25 7.48 3i9v41 ILE 79 HA -0.07 0.00 0.36 -0.75 4.18 3.72 3i9v41 ILE 79 HB 0.06 0.18 0.07 -0.04 1.89 2.15 3i9v41 ILE 79 HG12 0.20 -0.09 -0.06 -0.04 1.49 1.50 3i9v41 ILE 79 HG13 0.17 0.13 0.02 -0.04 1.21 1.49 3i9v41 ILE 79 HG23 0.04 0.04 0.04 -0.04 0.93 1.01 3i9v41 ILE 79 HD13 0.10 0.03 0.02 -0.04 0.88 0.99 3i9v41 THR 80 H 0.07 0.40 -0.42 -0.55 8.28 7.78 3i9v41 THR 80 HA 0.03 0.19 0.74 -0.75 4.39 4.60 3i9v41 THR 80 HB -0.02 -0.03 0.10 -0.04 4.32 4.33 3i9v41 THR 80 HG23 0.05 0.01 -0.01 -0.04 1.22 1.23 3i9v41 TYR 81 H 0.16 0.30 -0.34 -0.55 8.29 7.86 3i9v41 TYR 81 HA 0.03 0.13 0.54 -0.75 4.56 4.51 3i9v41 TYR 81 HB2 -0.10 0.09 0.09 -0.04 3.06 3.10 3i9v41 TYR 81 HB3 0.09 -0.05 -0.05 -0.04 2.98 2.93 3i9v41 TYR 81 HD2 -0.05 -0.02 -0.08 -0.04 7.15 6.96 3i9v41 TYR 81 HE2 -0.13 -0.01 -0.09 -0.04 6.85 6.57 3i9v41 THR 82 H -0.04 0.27 -0.21 -0.55 8.28 7.75 3i9v41 THR 82 HA -0.08 0.08 0.51 -0.75 4.39 4.14 3i9v41 THR 82 HB 0.01 -0.17 -0.34 -0.04 4.32 3.78 3i9v41 THR 82 HG23 -0.52 0.04 -0.09 -0.04 1.22 0.61 3i9v41 PRO 83 HA 0.08 0.03 0.26 -0.51 4.44 4.30 3i9v41 PRO 83 HB2 0.40 -0.04 -0.05 -0.04 2.28 2.55 3i9v41 PRO 83 HB3 0.13 -0.06 0.02 -0.04 2.02 2.06 3i9v41 PRO 83 HG2 0.02 0.21 -0.14 -0.04 2.03 2.08 3i9v41 PRO 83 HG3 0.08 0.20 -0.07 -0.04 2.03 2.20 3i9v41 PRO 83 HD2 -0.00 -0.05 -0.38 -0.04 3.68 3.21 3i9v41 PRO 83 HD3 0.01 0.11 0.02 -0.04 3.65 3.75 3i9v41 ARG 84 H -0.03 0.22 -0.99 -0.55 8.46 7.10 3i9v41 ARG 84 HA 0.13 0.04 0.17 -0.75 4.34 3.93 3i9v41 ARG 84 HB2 0.07 0.13 -0.04 -0.04 1.90 2.02 3i9v41 ARG 84 HB3 0.24 -0.04 0.06 -0.04 1.80 2.01 3i9v41 ARG 84 HG2 -0.25 -0.03 0.00 -0.04 1.67 1.35 3i9v41 ARG 84 HG3 -0.78 -0.06 -0.07 -0.04 1.67 0.72 3i9v41 ARG 84 HD2 -0.37 0.09 -0.02 -0.04 3.22 2.88 3i9v41 ARG 84 HD3 -0.34 0.02 0.01 -0.04 3.22 2.87 3i9v41 MET 85 H -0.25 0.33 -0.54 -0.55 8.47 7.46 3i9v41 MET 85 HA -0.20 0.19 0.87 -0.75 4.52 4.63 3i9v41 MET 85 HB2 -0.86 0.01 0.07 -0.04 2.15 1.32 3i9v41 MET 85 HB3 -0.42 0.01 -0.14 -0.04 2.03 1.44 3i9v41 MET 85 HG2 -1.16 -0.02 0.01 -0.04 2.63 1.42 3i9v41 MET 85 HG3 -1.57 0.00 -0.30 -0.04 2.56 0.65 3i9v41 MET 85 HE3 -0.27 -0.01 -0.02 -0.04 2.10 1.77 3i9v41 ASP 86 H -0.21 0.22 -0.03 -0.55 8.40 7.83 3i9v41 ASP 86 HA -0.26 0.02 0.72 -0.75 4.63 4.35 3i9v41 ASP 86 HB2 0.21 0.01 0.10 -0.04 2.71 2.99 3i9v41 ASP 86 HB3 0.28 0.12 0.16 -0.04 2.70 3.21 3i9v41 TYR 87 H -0.92 0.23 -0.22 -0.55 8.29 6.83 3i9v41 TYR 87 HA -0.01 0.38 0.49 -0.75 4.56 4.67 3i9v41 TYR 87 HB2 -0.26 -0.01 0.03 -0.04 3.06 2.78 3i9v41 TYR 87 HB3 0.07 0.09 -0.05 -0.04 2.98 3.05 3i9v41 TYR 87 HD2 -0.07 0.11 -0.21 -0.04 7.15 6.94 3i9v41 TYR 87 HE2 0.01 -0.04 0.05 -0.04 6.85 6.83 3i9v41 LEU 88 H -0.21 -0.09 -0.52 -0.55 8.37 7.00 3i9v41 LEU 88 HA 0.02 0.24 0.71 -0.75 4.35 4.57 3i9v41 LEU 88 HB2 -0.08 -0.10 0.08 -0.04 1.64 1.51 3i9v41 LEU 88 HB3 0.05 0.04 0.01 -0.04 1.64 1.70 3i9v41 LEU 88 HG -0.10 -0.11 -0.15 -0.04 1.64 1.24 3i9v41 LEU 88 HD13 0.02 0.02 -0.01 -0.04 0.93 0.92 3i9v41 LEU 88 HD23 0.09 0.05 -0.05 -0.04 0.89 0.94 3i9v41 HIS 89 H 0.10 0.10 -0.03 -0.55 8.41 8.04 3i9v41 HIS 89 HA 0.08 0.30 0.85 -0.75 4.63 5.10 3i9v41 HIS 89 HB2 0.01 0.08 0.17 -0.04 3.26 3.47 3i9v41 HIS 89 HB3 0.01 -0.07 0.23 -0.04 3.20 3.33 3i9v41 HIS 89 HD2 0.10 0.02 -0.47 -0.04 6.97 6.58 3i9v41 HIS 89 HE1 0.07 0.17 0.06 -0.04 7.75 8.00 3i9v41 SER 90 H 0.12 0.36 -0.30 -0.55 8.46 8.09 3i9v41 SER 90 HA 0.11 0.43 0.51 -0.75 4.49 4.79 3i9v41 SER 90 HB2 0.11 0.02 0.19 -0.04 3.95 4.23 3i9v41 SER 90 HB3 0.06 0.06 -0.00 -0.04 3.93 4.01 3i9v41 PHE 91 H 0.18 0.16 -0.03 -0.55 8.34 8.09 3i9v41 PHE 91 HA 0.06 0.08 0.24 -0.75 4.62 4.26 3i9v41 PHE 91 HB2 0.06 0.05 0.09 -0.04 3.15 3.30 3i9v41 PHE 91 HB3 0.02 0.05 -0.01 -0.04 3.06 3.09 3i9v41 PHE 91 HD2 -0.02 -0.01 -0.05 -0.04 7.28 7.16 3i9v41 PHE 91 HE2 0.09 0.06 0.02 -0.04 7.38 7.51 3i9v41 PHE 91 HZ 0.11 0.07 -0.01 -0.04 7.32 7.45 3i9v41 ALA 92 H -0.33 0.16 -0.74 -0.55 8.40 6.95 3i9v41 ALA 92 HA -0.06 0.12 0.40 -0.75 4.34 4.04 3i9v41 ALA 92 HB3 -0.35 0.04 -0.04 -0.04 1.41 1.03 3i9v41 HIS 93 H -0.00 0.37 -0.13 -0.55 8.41 8.10 3i9v41 HIS 93 HA 0.16 0.04 0.48 -0.75 4.63 4.56 3i9v41 HIS 93 HB2 -0.01 0.23 0.04 -0.04 3.26 3.48 3i9v41 HIS 93 HB3 0.08 -0.01 -0.15 -0.04 3.20 3.07 3i9v41 HIS 93 HD2 -0.04 0.14 0.12 -0.04 6.97 7.15 3i9v41 HIS 93 HE1 -0.15 0.05 -0.09 -0.04 7.75 7.52 3i9v41 ASP 94 H -0.03 0.31 -0.21 -0.55 8.40 7.91 3i9v41 ASP 94 HA -0.08 0.07 0.33 -0.75 4.63 4.20 3i9v41 ASP 94 HB2 -0.63 0.13 0.16 -0.04 2.71 2.33 3i9v41 ASP 94 HB3 -0.42 0.01 -0.00 -0.04 2.70 2.24 3i9v41 LEU 95 H -0.23 0.50 -0.21 -0.55 8.37 7.89 3i9v41 LEU 95 HA -0.14 0.06 0.35 -0.75 4.35 3.87 3i9v41 LEU 95 HB2 -0.05 0.11 0.15 -0.04 1.64 1.80 3i9v41 LEU 95 HB3 -0.09 0.01 0.10 -0.04 1.64 1.62 3i9v41 LEU 95 HG -0.18 -0.04 -0.10 -0.04 1.64 1.28 3i9v41 LEU 95 HD13 -0.02 -0.01 0.03 -0.04 0.93 0.89 3i9v41 LEU 95 HD23 0.13 0.00 0.00 -0.04 0.89 0.99 3i9v41 ALA 96 H -0.05 0.57 -0.21 -0.55 8.40 8.17 3i9v41 ALA 96 HA -0.14 0.03 0.35 -0.75 4.34 3.84 3i9v41 ALA 96 HB3 0.10 -0.00 0.06 -0.04 1.41 1.52 3i9v41 TYR 97 H 0.01 0.43 -0.43 -0.55 8.29 7.75 3i9v41 TYR 97 HA -0.28 0.01 0.49 -0.75 4.56 4.03 3i9v41 TYR 97 HB2 -1.16 -0.04 0.02 -0.04 3.06 1.83 3i9v41 TYR 97 HB3 -0.33 0.17 0.13 -0.04 2.98 2.91 3i9v41 TYR 97 HD2 -0.33 -0.01 -0.11 -0.04 7.15 6.66 3i9v41 TYR 97 HE2 -0.01 0.06 -0.11 -0.04 6.85 6.75 3i9v41 ALA 98 H -0.03 0.60 0.06 -0.55 8.40 8.49 3i9v41 ALA 98 HA -0.26 -0.02 0.32 -0.75 4.34 3.63 3i9v41 ALA 98 HB3 -0.07 0.04 -0.01 -0.04 1.41 1.33 3i9v41 LEU 99 H -0.14 0.51 -0.48 -0.55 8.37 7.72 3i9v41 LEU 99 HA -0.12 0.02 0.39 -0.75 4.35 3.90 3i9v41 LEU 99 HB2 -0.16 0.24 0.11 -0.04 1.64 1.79 3i9v41 LEU 99 HB3 -0.14 -0.00 -0.06 -0.04 1.64 1.40 3i9v41 LEU 99 HG -0.16 -0.06 -0.04 -0.04 1.64 1.33 3i9v41 LEU 99 HD13 -0.07 -0.01 0.01 -0.04 0.93 0.82 3i9v41 LEU 99 HD23 -0.14 -0.03 -0.05 -0.04 0.89 0.63 3i9v41 ALA 100 H -0.17 0.38 -0.12 -0.55 8.40 7.94 3i9v41 ALA 100 HA -0.12 0.02 0.34 -0.75 4.34 3.83 3i9v41 ALA 100 HB3 -0.10 0.00 0.13 -0.04 1.41 1.40 3i9v41 VAL 101 H -0.31 0.40 -0.33 -0.55 8.24 7.45 3i9v41 VAL 101 HA -0.26 0.08 0.55 -0.75 4.13 3.75 3i9v41 VAL 101 HB -0.32 0.05 0.12 -0.04 2.12 1.93 3i9v41 VAL 101 HG13 -0.30 -0.01 -0.14 -0.04 0.97 0.48 3i9v41 VAL 101 HG23 -0.68 0.07 -0.07 -0.04 0.95 0.23 3i9v41 GLU 102 H -0.19 0.61 0.09 -0.55 8.60 8.57 3i9v41 GLU 102 HA -0.16 -0.03 0.34 -0.75 4.29 3.69 3i9v41 GLU 102 HB2 -0.11 0.04 0.12 -0.04 2.09 2.10 3i9v41 GLU 102 HB3 -0.09 -0.02 0.04 -0.04 1.99 1.88 3i9v41 GLU 102 HG2 -0.10 0.14 0.14 -0.04 2.34 2.48 3i9v41 GLU 102 HG3 -0.13 0.29 0.24 -0.04 2.34 2.69 3i9v41 LYS 103 H -0.12 0.49 -0.32 -0.55 8.42 7.91 3i9v41 LYS 103 HA -0.07 0.00 0.50 -0.75 4.32 4.00 3i9v41 LYS 103 HB2 -0.09 0.11 0.04 -0.04 1.87 1.89 3i9v41 LYS 103 HB3 -0.06 -0.05 -0.00 -0.04 1.79 1.64 3i9v41 LYS 103 HG2 -0.08 0.23 0.13 -0.04 1.46 1.69 3i9v41 LYS 103 HG3 -0.07 -0.08 -0.03 -0.04 1.46 1.24 3i9v41 LYS 103 HD2 -0.04 -0.02 0.03 -0.04 1.69 1.62 3i9v41 LYS 103 HD3 -0.03 -0.03 -0.00 -0.04 1.68 1.57 3i9v41 LYS 103 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.91 3i9v41 LYS 103 HE3 -0.03 -0.00 0.00 -0.04 2.99 2.92 3i9v41 LEU 104 H -0.14 0.28 -0.32 -0.55 8.37 7.64 3i9v41 LEU 104 HA -0.10 -0.03 0.19 -0.75 4.35 3.66 3i9v41 LEU 104 HB2 -0.16 0.21 0.36 -0.04 1.64 2.01 3i9v41 LEU 104 HB3 -0.19 -0.08 0.03 -0.04 1.64 1.37 3i9v41 LEU 104 HG -0.10 -0.03 -0.03 -0.04 1.64 1.44 3i9v41 LEU 104 HD13 -0.10 -0.02 -0.07 -0.04 0.93 0.70 3i9v41 LEU 104 HD23 -0.08 -0.01 -0.08 -0.04 0.89 0.68 3i9v41 LEU 105 H -0.18 0.38 -0.12 -0.55 8.37 7.90 3i9v41 LEU 105 HA -0.12 0.19 0.94 -0.75 4.35 4.61 3i9v41 LEU 105 HB2 -0.20 -0.02 0.05 -0.04 1.64 1.43 3i9v41 LEU 105 HB3 -0.21 -0.06 -0.04 -0.04 1.64 1.29 3i9v41 LEU 105 HG -0.34 -0.01 -0.17 -0.04 1.64 1.08 3i9v41 LEU 105 HD13 -0.24 0.02 -0.39 -0.04 0.93 0.28 3i9v41 LEU 105 HD23 -0.69 -0.02 -0.18 -0.04 0.89 -0.04 3i9v41 GLY 106 H -0.12 0.25 -0.43 -0.55 8.43 7.58 3i9v41 GLY 106 HA2 -0.08 0.05 0.40 -0.51 4.01 3.87 3i9v41 GLY 106 HA3 -0.07 -0.03 0.41 -0.51 4.01 3.80 3i9v41 ALA 107 H -0.10 0.47 0.19 -0.55 8.40 8.42 3i9v41 ALA 107 HA -0.08 0.13 0.91 -0.75 4.34 4.55 3i9v41 ALA 107 HB3 -0.11 -0.01 -0.05 -0.04 1.41 1.21 3i9v41 VAL 108 H -0.05 0.12 0.10 -0.55 8.24 7.86 3i9v41 VAL 108 HA -0.03 0.19 0.96 -0.75 4.13 4.50 3i9v41 VAL 108 HB -0.02 0.04 -0.05 -0.04 2.12 2.05 3i9v41 VAL 108 HG13 -0.03 0.02 -0.13 -0.04 0.97 0.79 3i9v41 VAL 108 HG23 -0.02 -0.02 0.04 -0.04 0.95 0.90 3i9v41 VAL 109 H -0.02 0.18 0.06 -0.55 8.24 7.91 3i9v41 VAL 109 HA -0.01 0.32 0.61 -0.75 4.13 4.29 3i9v41 VAL 109 HB 0.01 -0.06 0.12 -0.04 2.12 2.15 3i9v41 VAL 109 HG13 0.01 0.01 -0.11 -0.04 0.97 0.84 3i9v41 VAL 109 HG23 -0.02 0.04 -0.01 -0.04 0.95 0.91 3i9v41 PRO 110 HA 0.00 0.12 0.30 -0.51 4.44 4.35 3i9v41 PRO 110 HB2 0.01 -0.14 -0.26 -0.04 2.28 1.84 3i9v41 PRO 110 HB3 0.01 0.06 -0.13 -0.04 2.02 1.92 3i9v41 PRO 110 HG2 -0.00 -0.13 -0.50 -0.04 2.03 1.35 3i9v41 PRO 110 HG3 -0.01 0.11 -0.22 -0.04 2.03 1.87 3i9v41 PRO 110 HD2 -0.00 0.14 0.08 -0.04 3.68 3.85 3i9v41 PRO 110 HD3 -0.01 0.52 0.34 -0.04 3.65 4.46 3i9v41 PRO 111 HA 0.03 0.10 0.40 -0.51 4.44 4.46 3i9v41 PRO 111 HB2 0.02 0.10 0.05 -0.04 2.28 2.41 3i9v41 PRO 111 HB3 0.01 0.05 0.14 -0.04 2.02 2.18 3i9v41 PRO 111 HG2 0.01 -0.06 0.13 -0.04 2.03 2.07 3i9v41 PRO 111 HG3 0.01 0.08 0.11 -0.04 2.03 2.18 3i9v41 PRO 111 HD2 0.01 0.07 0.19 -0.04 3.68 3.90 3i9v41 PRO 111 HD3 0.01 0.16 0.18 -0.04 3.65 3.96 3i9v41 ARG 112 H 0.02 0.16 -0.15 -0.55 8.46 7.94 3i9v41 ARG 112 HA 0.04 0.08 0.34 -0.75 4.34 4.05 3i9v41 ARG 112 HB2 0.03 0.10 0.05 -0.04 1.90 2.03 3i9v41 ARG 112 HB3 0.02 0.32 0.06 -0.04 1.80 2.16 3i9v41 ARG 112 HG2 0.04 -0.04 -0.19 -0.04 1.67 1.44 3i9v41 ARG 112 HG3 0.04 -0.07 0.06 -0.04 1.67 1.67 3i9v41 ARG 112 HD2 0.03 0.16 0.01 -0.04 3.22 3.38 3i9v41 ARG 112 HD3 0.03 -0.02 -0.08 -0.04 3.22 3.11 3i9v41 ALA 113 H 0.03 0.16 -0.46 -0.55 8.40 7.58 3i9v41 ALA 113 HA 0.05 0.04 0.53 -0.75 4.34 4.20 3i9v41 ALA 113 HB3 0.02 0.05 -0.01 -0.04 1.41 1.42 3i9v41 GLU 114 H 0.04 0.66 -0.09 -0.55 8.60 8.66 3i9v41 GLU 114 HA 0.07 -0.03 0.37 -0.75 4.29 3.95 3i9v41 GLU 114 HB2 0.04 0.10 0.03 -0.04 2.09 2.22 3i9v41 GLU 114 HB3 0.07 0.08 0.12 -0.04 1.99 2.21 3i9v41 GLU 114 HG2 0.10 0.05 -0.00 -0.04 2.34 2.45 3i9v41 GLU 114 HG3 0.06 -0.08 0.00 -0.04 2.34 2.28 3i9v41 THR 115 H 0.07 0.59 -0.21 -0.55 8.28 8.18 3i9v41 THR 115 HA 0.14 0.01 0.38 -0.75 4.39 4.17 3i9v41 THR 115 HB 0.07 0.07 0.10 -0.04 4.32 4.52 3i9v41 THR 115 HG23 0.09 -0.03 -0.25 -0.04 1.22 0.99 3i9v41 ILE 116 H 0.07 0.59 -0.08 -0.55 8.25 8.28 3i9v41 ILE 116 HA 0.05 -0.03 0.38 -0.75 4.18 3.83 3i9v41 ILE 116 HB 0.09 0.15 0.16 -0.04 1.89 2.25 3i9v41 ILE 116 HG12 0.04 -0.08 0.03 -0.04 1.49 1.44 3i9v41 ILE 116 HG13 0.06 0.21 0.11 -0.04 1.21 1.55 3i9v41 ILE 116 HG23 0.12 -0.03 -0.10 -0.04 0.93 0.89 3i9v41 ILE 116 HD13 0.06 -0.02 -0.02 -0.04 0.88 0.86 3i9v41 ARG 117 H 0.10 0.52 -0.57 -0.55 8.46 7.95 3i9v41 ARG 117 HA 0.16 -0.01 0.49 -0.75 4.34 4.24 3i9v41 ARG 117 HB2 0.12 0.26 0.12 -0.04 1.90 2.36 3i9v41 ARG 117 HB3 0.18 -0.11 0.00 -0.04 1.80 1.83 3i9v41 ARG 117 HG2 0.30 -0.12 0.01 -0.04 1.67 1.82 3i9v41 ARG 117 HG3 0.22 -0.03 -0.09 -0.04 1.67 1.73 3i9v41 ARG 117 HD2 0.07 0.11 -0.10 -0.04 3.22 3.25 3i9v41 ARG 117 HD3 0.08 0.06 -0.36 -0.04 3.22 2.96 3i9v41 VAL 118 H 0.08 0.52 -0.13 -0.55 8.24 8.16 3i9v41 VAL 118 HA 0.15 0.05 0.77 -0.75 4.13 4.34 3i9v41 VAL 118 HB 0.12 -0.09 -0.01 -0.04 2.12 2.10 3i9v41 VAL 118 HG13 0.16 0.06 -0.04 -0.04 0.97 1.11 3i9v41 VAL 118 HG23 0.03 0.09 0.04 -0.04 0.95 1.07 3i9v41 ILE 119 H 0.02 0.55 0.02 -0.55 8.25 8.30 3i9v41 ILE 119 HA -0.01 0.03 0.42 -0.75 4.18 3.86 3i9v41 ILE 119 HB 0.02 0.08 0.07 -0.04 1.89 2.01 3i9v41 ILE 119 HG12 0.05 0.01 -0.03 -0.04 1.49 1.47 3i9v41 ILE 119 HG13 0.05 0.14 0.03 -0.04 1.21 1.39 3i9v41 ILE 119 HG23 0.08 -0.01 -0.17 -0.04 0.93 0.79 3i9v41 ILE 119 HD13 0.09 0.00 -0.21 -0.04 0.88 0.72 3i9v41 LEU 120 H -0.11 0.44 -0.34 -0.55 8.37 7.80 3i9v41 LEU 120 HA -0.21 0.04 0.32 -0.75 4.35 3.75 3i9v41 LEU 120 HB2 -0.24 0.65 0.26 -0.04 1.64 2.27 3i9v41 LEU 120 HB3 -1.24 -0.04 -0.03 -0.04 1.64 0.30 3i9v41 LEU 120 HG -0.09 0.02 -0.04 -0.04 1.64 1.49 3i9v41 LEU 120 HD13 -0.21 -0.03 -0.03 -0.04 0.93 0.61 3i9v41 LEU 120 HD23 -0.26 0.00 -0.04 -0.04 0.89 0.55 3i9v41 ASN 121 H -0.23 0.39 -0.42 -0.55 8.53 7.72 3i9v41 ASN 121 HA -0.06 -0.07 0.33 -0.75 4.76 4.20 3i9v41 ASN 121 HB2 0.21 0.29 0.22 -0.04 2.88 3.55 3i9v41 ASN 121 HB3 0.19 0.05 0.19 -0.04 2.79 3.18 3i9v41 ASN 121 HD21 0.27 -0.01 -0.01 -0.04 7.03 7.24 3i9v41 ASN 121 HD22 0.23 0.04 0.01 -0.04 7.74 7.98 3i9v41 GLU 122 H 0.03 0.72 -0.17 -0.55 8.60 8.64 3i9v41 GLU 122 HA 0.05 -0.02 0.46 -0.75 4.29 4.03 3i9v41 GLU 122 HB2 -0.02 0.14 0.09 -0.04 2.09 2.25 3i9v41 GLU 122 HB3 -0.03 -0.09 0.09 -0.04 1.99 1.93 3i9v41 GLU 122 HG2 0.11 0.10 0.08 -0.04 2.34 2.59 3i9v41 GLU 122 HG3 -0.09 0.02 0.03 -0.04 2.34 2.26 3i9v41 LEU 123 H -0.02 0.59 -0.24 -0.55 8.37 8.15 3i9v41 LEU 123 HA -0.03 0.01 0.47 -0.75 4.35 4.05 3i9v41 LEU 123 HB2 -0.07 0.36 0.18 -0.04 1.64 2.07 3i9v41 LEU 123 HB3 -0.12 0.05 0.04 -0.04 1.64 1.58 3i9v41 LEU 123 HG -0.29 -0.03 0.06 -0.04 1.64 1.34 3i9v41 LEU 123 HD13 -0.09 -0.02 0.06 -0.04 0.93 0.84 3i9v41 LEU 123 HD23 -0.12 -0.00 -0.03 -0.04 0.89 0.70 3i9v41 SER 124 H 0.15 0.36 -0.57 -0.55 8.46 7.86 3i9v41 SER 124 HA 0.41 0.13 0.72 -0.75 4.49 4.99 3i9v41 SER 124 HB2 0.33 0.16 0.14 -0.04 3.95 4.53 3i9v41 SER 124 HB3 0.45 0.13 0.13 -0.04 3.93 4.60 3i9v41 ARG 125 H 0.04 0.28 -0.08 -0.55 8.46 8.15 3i9v41 ARG 125 HA -0.75 -0.07 0.54 -0.75 4.34 3.31 3i9v41 ARG 125 HB2 -0.28 0.03 0.19 -0.04 1.90 1.80 3i9v41 ARG 125 HB3 -0.20 0.17 0.20 -0.04 1.80 1.93 3i9v41 ARG 125 HG2 -0.70 -0.00 -0.08 -0.04 1.67 0.84 3i9v41 ARG 125 HG3 -0.67 -0.11 0.03 -0.04 1.67 0.88 3i9v41 ARG 125 HD2 -0.16 0.04 0.00 -0.04 3.22 3.06 3i9v41 ARG 125 HD3 -0.21 0.02 -0.06 -0.04 3.22 2.93 3i9v41 LEU 126 H -0.05 0.49 -0.16 -0.55 8.37 8.10 3i9v41 LEU 126 HA -0.04 0.02 0.33 -0.75 4.35 3.90 3i9v41 LEU 126 HB2 -0.00 0.13 0.04 -0.04 1.64 1.77 3i9v41 LEU 126 HB3 -0.02 -0.03 0.04 -0.04 1.64 1.59 3i9v41 LEU 126 HG -0.04 0.21 0.10 -0.04 1.64 1.86 3i9v41 LEU 126 HD13 -0.04 -0.00 0.00 -0.04 0.93 0.85 3i9v41 LEU 126 HD23 -0.04 -0.02 0.08 -0.04 0.89 0.87 3i9v41 ALA 127 H 0.09 0.22 -0.46 -0.55 8.40 7.69 3i9v41 ALA 127 HA 0.10 0.02 0.49 -0.75 4.34 4.20 3i9v41 ALA 127 HB3 0.22 0.07 0.16 -0.04 1.41 1.82 3i9v41 SER 128 H 0.08 0.44 -0.13 -0.55 8.46 8.30 3i9v41 SER 128 HA 0.11 -0.00 0.37 -0.75 4.49 4.22 3i9v41 SER 128 HB2 0.11 -0.24 -0.13 -0.04 3.95 3.65 3i9v41 SER 128 HB3 -0.01 0.16 0.17 -0.04 3.93 4.21 3i9v41 HIS 129 H 0.07 0.60 -0.05 -0.55 8.41 8.48 3i9v41 HIS 129 HA 0.08 0.05 0.46 -0.75 4.63 4.46 3i9v41 HIS 129 HB2 -0.03 0.05 0.16 -0.04 3.26 3.40 3i9v41 HIS 129 HB3 -0.01 0.01 -0.05 -0.04 3.20 3.12 3i9v41 HIS 129 HD2 -0.06 0.03 -0.05 -0.04 6.97 6.84 3i9v41 HIS 129 HE1 -0.14 0.11 0.08 -0.04 7.75 7.76 3i9v41 LEU 130 H 0.10 0.83 -0.02 -0.55 8.37 8.73 3i9v41 LEU 130 HA -0.04 -0.04 0.38 -0.75 4.35 3.90 3i9v41 LEU 130 HB2 0.04 0.32 0.28 -0.04 1.64 2.24 3i9v41 LEU 130 HB3 0.03 -0.03 0.01 -0.04 1.64 1.61 3i9v41 LEU 130 HG -0.06 -0.01 0.09 -0.04 1.64 1.61 3i9v41 LEU 130 HD13 -0.02 -0.03 -0.04 -0.04 0.93 0.80 3i9v41 LEU 130 HD23 -0.12 0.01 0.14 -0.04 0.89 0.88 3i9v41 VAL 131 H 0.13 0.31 -0.85 -0.55 8.24 7.28 3i9v41 VAL 131 HA 0.15 0.01 0.49 -0.75 4.13 4.03 3i9v41 VAL 131 HB 0.14 0.27 0.22 -0.04 2.12 2.71 3i9v41 VAL 131 HG13 0.15 -0.03 -0.16 -0.04 0.97 0.89 3i9v41 VAL 131 HG23 0.15 -0.01 0.01 -0.04 0.95 1.06 3i9v41 PHE 132 H 0.25 0.48 0.18 -0.55 8.34 8.70 3i9v41 PHE 132 HA 0.02 0.01 0.51 -0.75 4.62 4.40 3i9v41 PHE 132 HB2 -0.00 -0.02 0.14 -0.04 3.15 3.23 3i9v41 PHE 132 HB3 -0.05 0.06 0.24 -0.04 3.06 3.27 3i9v41 PHE 132 HD2 -0.13 -0.02 -0.00 -0.04 7.28 7.09 3i9v41 PHE 132 HE2 -0.13 0.15 0.01 -0.04 7.38 7.37 3i9v41 PHE 132 HZ -0.09 -0.04 -0.14 -0.04 7.32 7.00 3i9v41 LEU 133 H 0.05 0.81 -0.18 -0.55 8.37 8.50 3i9v41 LEU 133 HA -0.45 0.06 0.43 -0.75 4.35 3.64 3i9v41 LEU 133 HB2 -0.14 0.00 -0.01 -0.04 1.64 1.45 3i9v41 LEU 133 HB3 -0.07 0.07 0.06 -0.04 1.64 1.66 3i9v41 LEU 133 HG 0.02 -0.02 -0.40 -0.04 1.64 1.20 3i9v41 LEU 133 HD13 0.01 -0.01 -0.03 -0.04 0.93 0.85 3i9v41 LEU 133 HD23 -0.60 -0.01 -0.01 -0.04 0.89 0.23 3i9v41 GLY 134 H 0.05 0.49 -0.22 -0.55 8.43 8.21 3i9v41 GLY 134 HA2 0.29 -0.06 0.40 -0.51 4.01 4.14 3i9v41 GLY 134 HA3 0.28 0.09 0.37 -0.51 4.01 4.24 3i9v41 THR 135 H 0.05 0.78 -0.02 -0.55 8.28 8.54 3i9v41 THR 135 HA -0.01 -0.02 0.40 -0.75 4.39 4.01 3i9v41 THR 135 HB 0.00 -0.05 0.07 -0.04 4.32 4.29 3i9v41 THR 135 HG23 0.07 -0.01 0.04 -0.04 1.22 1.28 3i9v41 GLY 136 H -0.14 0.34 -0.71 -0.55 8.43 7.38 3i9v41 GLY 136 HA2 -0.07 0.01 0.61 -0.51 4.01 4.05 3i9v41 GLY 136 HA3 -0.20 0.13 0.30 -0.51 4.01 3.73 3i9v41 LEU 137 H 0.11 0.50 0.07 -0.55 8.37 8.51 3i9v41 LEU 137 HA 0.09 -0.02 0.41 -0.75 4.35 4.07 3i9v41 LEU 137 HB2 0.26 0.13 0.13 -0.04 1.64 2.12 3i9v41 LEU 137 HB3 0.18 0.01 0.11 -0.04 1.64 1.89 3i9v41 LEU 137 HG 0.32 0.22 -0.00 -0.04 1.64 2.14 3i9v41 LEU 137 HD13 0.41 -0.06 -0.27 -0.04 0.93 0.97 3i9v41 LEU 137 HD23 0.17 -0.03 -0.04 -0.04 0.89 0.94 3i9v41 LEU 138 H -0.04 0.20 -0.80 -0.55 8.37 7.18 3i9v41 LEU 138 HA -0.10 0.19 0.88 -0.75 4.35 4.58 3i9v41 LEU 138 HB2 -0.16 0.13 0.05 -0.04 1.64 1.62 3i9v41 LEU 138 HB3 -0.15 -0.02 -0.06 -0.04 1.64 1.38 3i9v41 LEU 138 HG -0.40 -0.00 -0.04 -0.04 1.64 1.15 3i9v41 LEU 138 HD13 -1.11 -0.02 -0.13 -0.04 0.93 -0.37 3i9v41 LEU 138 HD23 -0.38 -0.01 -0.03 -0.04 0.89 0.42 3i9v41 ASP 139 H -0.02 0.35 0.08 -0.55 8.40 8.26 3i9v41 ASP 139 HA 0.00 0.04 0.56 -0.75 4.63 4.48 3i9v41 ASP 139 HB2 0.02 0.12 0.24 -0.04 2.71 3.06 3i9v41 ASP 139 HB3 0.06 -0.03 0.02 -0.04 2.70 2.72 3i9v41 LEU 140 H -0.00 0.06 -0.84 -0.55 8.37 7.04 3i9v41 LEU 140 HA 0.04 0.14 0.66 -0.75 4.35 4.44 3i9v41 LEU 140 HB2 0.03 0.09 -0.05 -0.04 1.64 1.66 3i9v41 LEU 140 HB3 -0.07 0.01 -0.02 -0.04 1.64 1.52 3i9v41 LEU 140 HG -0.02 -0.07 0.14 -0.04 1.64 1.66 3i9v41 LEU 140 HD13 -0.18 -0.00 -0.01 -0.04 0.93 0.71 3i9v41 LEU 140 HD23 -0.29 -0.01 0.02 -0.04 0.89 0.57 3i9v41 GLY 141 H -0.02 0.38 -0.35 -0.55 8.43 7.89 3i9v41 GLY 141 HA2 -0.03 0.04 0.33 -0.51 4.01 3.85 3i9v41 GLY 141 HA3 -0.02 0.03 0.30 -0.51 4.01 3.81 3i9v41 ALA 142 H -0.05 0.10 -0.63 -0.55 8.40 7.28 3i9v41 ALA 142 HA -0.02 -0.04 0.57 -0.75 4.34 4.10 3i9v41 ALA 142 HB3 -0.07 -0.00 0.12 -0.04 1.41 1.41 3i9v41 LEU 143 H 0.03 0.03 0.31 -0.55 8.37 8.20 3i9v41 LEU 143 HA 0.12 0.27 0.88 -0.75 4.35 4.87 3i9v41 LEU 143 HB2 0.02 0.19 0.11 -0.04 1.64 1.91 3i9v41 LEU 143 HB3 0.03 -0.05 0.06 -0.04 1.64 1.65 3i9v41 LEU 143 HG 0.02 0.06 -0.00 -0.04 1.64 1.68 3i9v41 LEU 143 HD13 -0.01 0.01 0.01 -0.04 0.93 0.89 3i9v41 LEU 143 HD23 0.12 -0.04 -0.00 -0.04 0.89 0.93 3i9v41 THR 144 H 0.07 0.10 0.20 -0.55 8.28 8.10 3i9v41 THR 144 HA 0.12 0.10 0.61 -0.75 4.39 4.47 3i9v41 THR 144 HB 0.09 0.02 0.12 -0.04 4.32 4.51 3i9v41 THR 144 HG23 0.18 0.01 -0.09 -0.04 1.22 1.28 3i9v41 PRO 145 HA 0.18 0.11 0.52 -0.51 4.44 4.74 3i9v41 PRO 145 HB2 0.09 0.10 -0.09 -0.04 2.28 2.35 3i9v41 PRO 145 HB3 -0.06 0.08 0.03 -0.04 2.02 2.03 3i9v41 PRO 145 HG2 -0.02 0.07 0.03 -0.04 2.03 2.07 3i9v41 PRO 145 HG3 -0.01 0.08 0.02 -0.04 2.03 2.08 3i9v41 PRO 145 HD2 0.08 -0.05 -0.06 -0.04 3.68 3.60 3i9v41 PRO 145 HD3 0.08 0.10 0.10 -0.04 3.65 3.88 3i9v41 PHE 146 H 0.31 0.22 -0.49 -0.55 8.34 7.82 3i9v41 PHE 146 HA 0.19 0.06 0.57 -0.75 4.62 4.68 3i9v41 PHE 146 HB2 0.09 0.10 0.04 -0.04 3.15 3.34 3i9v41 PHE 146 HB3 0.09 0.14 0.18 -0.04 3.06 3.44 3i9v41 PHE 146 HD2 0.09 0.03 -0.01 -0.04 7.28 7.35 3i9v41 PHE 146 HE2 0.02 -0.01 -0.09 -0.04 7.38 7.25 3i9v41 PHE 146 HZ -0.09 -0.00 -0.07 -0.04 7.32 7.12 3i9v41 PHE 147 H 0.35 0.63 0.07 -0.55 8.34 8.84 3i9v41 PHE 147 HA -0.26 0.01 0.40 -0.75 4.62 4.01 3i9v41 PHE 147 HB2 0.03 0.02 0.15 -0.04 3.15 3.30 3i9v41 PHE 147 HB3 -0.09 0.05 0.15 -0.04 3.06 3.13 3i9v41 PHE 147 HD2 -0.24 0.02 -0.02 -0.04 7.28 7.00 3i9v41 PHE 147 HE2 -0.11 -0.00 0.00 -0.04 7.38 7.23 3i9v41 PHE 147 HZ -0.04 -0.00 0.01 -0.04 7.32 7.24 3i9v41 TYR 148 H 0.14 0.14 -1.08 -0.55 8.29 6.95 3i9v41 TYR 148 HA -0.17 0.08 0.80 -0.75 4.56 4.52 3i9v41 TYR 148 HB2 0.06 0.17 0.12 -0.04 3.06 3.38 3i9v41 TYR 148 HB3 0.06 -0.04 -0.03 -0.04 2.98 2.93 3i9v41 TYR 148 HD2 0.01 0.01 -0.02 -0.04 7.15 7.10 3i9v41 TYR 148 HE2 0.05 -0.03 -0.04 -0.04 6.85 6.79 3i9v41 ALA 149 H 0.18 0.45 0.19 -0.55 8.40 8.67 3i9v41 ALA 149 HA 0.07 -0.02 0.47 -0.75 4.34 4.11 3i9v41 ALA 149 HB3 0.08 0.05 0.19 -0.04 1.41 1.69 3i9v41 PHE 150 H -0.19 0.50 -0.32 -0.55 8.34 7.78 3i9v41 PHE 150 HA -0.14 0.04 0.43 -0.75 4.62 4.19 3i9v41 PHE 150 HB2 -0.60 0.02 0.01 -0.04 3.15 2.55 3i9v41 PHE 150 HB3 -0.42 0.09 -0.01 -0.04 3.06 2.68 3i9v41 PHE 150 HD2 -0.11 0.03 -0.06 -0.04 7.28 7.10 3i9v41 PHE 150 HE2 0.03 0.00 -0.03 -0.04 7.38 7.33 3i9v41 PHE 150 HZ 0.04 -0.00 -0.02 -0.04 7.32 7.29 3i9v41 ARG 151 H -0.17 0.27 -0.27 -0.55 8.46 7.74 3i9v41 ARG 151 HA -0.26 0.01 0.47 -0.75 4.34 3.81 3i9v41 ARG 151 HB2 -0.36 0.14 0.21 -0.04 1.90 1.85 3i9v41 ARG 151 HB3 -0.05 0.08 0.16 -0.04 1.80 1.95 3i9v41 ARG 151 HG2 -0.06 -0.03 -0.04 -0.04 1.67 1.50 3i9v41 ARG 151 HG3 -0.14 -0.03 0.06 -0.04 1.67 1.52 3i9v41 ARG 151 HD2 -0.16 0.01 0.03 -0.04 3.22 3.06 3i9v41 ARG 151 HD3 0.06 0.01 0.02 -0.04 3.22 3.27 3i9v41 GLU 152 H -0.04 0.61 -0.11 -0.55 8.60 8.52 3i9v41 GLU 152 HA -0.03 0.03 0.43 -0.75 4.29 3.96 3i9v41 GLU 152 HB2 -0.01 0.16 0.19 -0.04 2.09 2.39 3i9v41 GLU 152 HB3 -0.03 -0.01 -0.08 -0.04 1.99 1.83 3i9v41 GLU 152 HG2 0.00 -0.01 -0.01 -0.04 2.34 2.27 3i9v41 GLU 152 HG3 -0.01 -0.02 0.01 -0.04 2.34 2.27 3i9v41 ARG 153 H -0.07 0.53 -0.03 -0.55 8.46 8.35 3i9v41 ARG 153 HA 0.00 -0.00 0.48 -0.75 4.34 4.07 3i9v41 ARG 153 HB2 -0.01 0.10 0.17 -0.04 1.90 2.12 3i9v41 ARG 153 HB3 -0.15 0.13 0.17 -0.04 1.80 1.91 3i9v41 ARG 153 HG2 0.04 -0.09 -0.06 -0.04 1.67 1.53 3i9v41 ARG 153 HG3 0.08 0.03 0.09 -0.04 1.67 1.83 3i9v41 ARG 153 HD2 0.12 0.01 -0.02 -0.04 3.22 3.29 3i9v41 ARG 153 HD3 -0.04 0.02 -0.02 -0.04 3.22 3.14 3i9v41 GLU 154 H -0.29 0.60 -0.20 -0.55 8.60 8.17 3i9v41 GLU 154 HA -0.15 -0.02 0.44 -0.75 4.29 3.80 3i9v41 GLU 154 HB2 -0.26 0.14 0.14 -0.04 2.09 2.07 3i9v41 GLU 154 HB3 -0.18 -0.07 0.05 -0.04 1.99 1.76 3i9v41 GLU 154 HG2 -0.93 0.17 0.10 -0.04 2.34 1.64 3i9v41 GLU 154 HG3 -0.66 -0.04 -0.01 -0.04 2.34 1.59 3i9v41 THR 155 H -0.08 0.46 -0.40 -0.55 8.28 7.72 3i9v41 THR 155 HA -0.01 0.02 0.58 -0.75 4.39 4.22 3i9v41 THR 155 HB -0.04 0.10 0.10 -0.04 4.32 4.44 3i9v41 THR 155 HG23 -0.02 -0.03 0.06 -0.04 1.22 1.19 3i9v41 ILE 156 H -0.02 0.41 -0.07 -0.55 8.25 8.02 3i9v41 ILE 156 HA -0.08 0.07 0.69 -0.75 4.18 4.10 3i9v41 ILE 156 HB 0.06 0.12 0.26 -0.04 1.89 2.29 3i9v41 ILE 156 HG12 -0.06 -0.03 0.03 -0.04 1.49 1.40 3i9v41 ILE 156 HG13 -0.02 0.10 -0.06 -0.04 1.21 1.18 3i9v41 ILE 156 HG23 0.03 -0.01 -0.05 -0.04 0.93 0.87 3i9v41 ILE 156 HD13 0.01 0.03 -0.02 -0.04 0.88 0.86 3i9v41 LEU 157 H 0.06 0.67 0.06 -0.55 8.37 8.62 3i9v41 LEU 157 HA 0.52 0.07 0.52 -0.75 4.35 4.70 3i9v41 LEU 157 HB2 0.02 0.06 0.16 -0.04 1.64 1.84 3i9v41 LEU 157 HB3 0.02 -0.07 0.09 -0.04 1.64 1.64 3i9v41 LEU 157 HG 0.15 0.18 0.10 -0.04 1.64 2.03 3i9v41 LEU 157 HD13 0.11 -0.03 -0.04 -0.04 0.93 0.93 3i9v41 LEU 157 HD23 0.35 0.02 0.05 -0.04 0.89 1.28 3i9v41 ASP 158 H 0.04 0.48 -0.20 -0.55 8.40 8.17 3i9v41 ASP 158 HA 0.01 0.01 0.42 -0.75 4.63 4.32 3i9v41 ASP 158 HB2 0.10 0.09 0.05 -0.04 2.71 2.90 3i9v41 ASP 158 HB3 0.08 -0.05 0.00 -0.04 2.70 2.69 3i9v41 LEU 159 H 0.07 0.34 -0.53 -0.55 8.37 7.71 3i9v41 LEU 159 HA 0.41 0.02 0.47 -0.75 4.35 4.49 3i9v41 LEU 159 HB2 -0.16 0.26 0.20 -0.04 1.64 1.90 3i9v41 LEU 159 HB3 0.18 -0.07 0.02 -0.04 1.64 1.72 3i9v41 LEU 159 HG -0.02 0.28 0.14 -0.04 1.64 2.00 3i9v41 LEU 159 HD13 -0.18 -0.03 0.07 -0.04 0.93 0.75 3i9v41 LEU 159 HD23 -0.22 -0.01 -0.11 -0.04 0.89 0.51 3i9v41 PHE 160 H -0.00 0.43 -0.06 -0.55 8.34 8.15 3i9v41 PHE 160 HA -0.01 -0.05 0.45 -0.75 4.62 4.26 3i9v41 PHE 160 HB2 0.08 0.25 0.31 -0.04 3.15 3.75 3i9v41 PHE 160 HB3 0.19 0.05 0.04 -0.04 3.06 3.30 3i9v41 PHE 160 HD2 -0.06 -0.05 0.04 -0.04 7.28 7.17 3i9v41 PHE 160 HE2 -0.07 -0.03 -0.03 -0.04 7.38 7.21 3i9v41 PHE 160 HZ 0.03 -0.07 -0.18 -0.04 7.32 7.06 3i9v41 GLU 161 H 0.16 0.47 -0.23 -0.55 8.60 8.45 3i9v41 GLU 161 HA 0.04 -0.09 0.28 -0.75 4.29 3.76 3i9v41 GLU 161 HB2 -0.02 0.05 -0.09 -0.04 2.09 1.99 3i9v41 GLU 161 HB3 -0.12 0.14 -0.02 -0.04 1.99 1.94 3i9v41 GLU 161 HG2 -0.16 0.00 -0.13 -0.04 2.34 2.02 3i9v41 GLU 161 HG3 -0.07 -0.02 -0.33 -0.04 2.34 1.88 3i9v41 TRP 162 H 0.27 0.35 -0.59 -0.55 7.97 7.46 3i9v41 TRP 162 HA 0.03 0.00 0.31 -0.75 4.62 4.21 3i9v41 TRP 162 HB2 0.11 0.25 0.27 -0.04 3.23 3.81 3i9v41 TRP 162 HB3 0.11 -0.12 -0.07 -0.04 3.23 3.11 3i9v41 TRP 162 HD1 0.01 0.05 -0.24 -0.04 7.22 7.01 3i9v41 TRP 162 HE1 -0.01 -0.03 -0.07 -0.04 10.20 10.05 3i9v41 TRP 162 HE3 0.04 0.02 0.04 -0.04 7.59 7.65 3i9v41 TRP 162 HZ2 0.00 -0.01 -0.02 -0.04 7.44 7.37 3i9v41 TRP 162 HZ3 0.02 -0.04 0.01 -0.04 7.13 7.08 3i9v41 TRP 162 HH2 0.01 -0.02 -0.01 -0.04 7.19 7.13 3i9v41 VAL 163 H 0.12 0.27 -0.11 -0.55 8.24 7.96 3i9v41 VAL 163 HA 0.03 0.15 0.86 -0.75 4.13 4.42 3i9v41 VAL 163 HB -0.37 -0.07 0.04 -0.04 2.12 1.68 3i9v41 VAL 163 HG13 -0.31 0.06 0.07 -0.04 0.97 0.76 3i9v41 VAL 163 HG23 -0.65 0.01 -0.19 -0.04 0.95 0.08 3i9v41 THR 164 H 0.01 0.61 0.15 -0.55 8.28 8.50 3i9v41 THR 164 HA 0.06 0.24 0.86 -0.75 4.39 4.79 3i9v41 THR 164 HB 0.20 -0.09 -0.00 -0.04 4.32 4.38 3i9v41 THR 164 HG23 -0.29 -0.01 -0.07 -0.04 1.22 0.81 3i9v41 GLY 165 H 0.05 0.27 -0.15 -0.55 8.43 8.05 3i9v41 GLY 165 HA2 -0.01 0.19 0.35 -0.51 4.01 4.03 3i9v41 GLY 165 HA3 0.03 0.04 0.38 -0.51 4.01 3.94 3i9v41 GLN 166 H 0.08 0.16 -0.50 -0.55 8.47 7.66 3i9v41 GLN 166 HA -0.05 0.14 0.71 -0.75 4.36 4.41 3i9v41 GLN 166 HB2 0.03 -0.09 -0.25 -0.04 2.15 1.80 3i9v41 GLN 166 HB3 -0.07 0.02 -0.02 -0.04 2.02 1.91 3i9v41 GLN 166 HG2 -0.00 -0.01 -0.04 -0.04 2.40 2.31 3i9v41 GLN 166 HG3 0.03 0.08 -0.48 -0.04 2.39 1.98 3i9v41 GLN 166 HE21 0.06 0.03 -0.04 -0.04 6.97 6.98 3i9v41 GLN 166 HE22 0.03 -0.07 -0.03 -0.04 7.69 7.59 3i9v41 ARG 167 H -0.24 0.13 0.09 -0.55 8.46 7.89 3i9v41 ARG 167 HA -0.15 0.15 0.61 -0.75 4.34 4.20 3i9v41 ARG 167 HB2 -1.38 -0.05 0.07 -0.04 1.90 0.50 3i9v41 ARG 167 HB3 -0.69 0.00 0.03 -0.04 1.80 1.10 3i9v41 ARG 167 HG2 -0.24 -0.04 0.06 -0.04 1.67 1.41 3i9v41 ARG 167 HG3 -0.34 0.02 0.03 -0.04 1.67 1.34 3i9v41 ARG 167 HD2 -0.16 0.01 -0.07 -0.04 3.22 2.97 3i9v41 ARG 167 HD3 -0.13 0.02 -0.06 -0.04 3.22 3.00 3i9v41 PHE 168 H -0.61 0.13 0.04 -0.55 8.34 7.34 3i9v41 PHE 168 HA -0.80 0.17 0.32 -0.75 4.62 3.55 3i9v41 PHE 168 HB2 -0.81 0.01 0.08 -0.04 3.15 2.38 3i9v41 PHE 168 HB3 -0.40 0.08 0.20 -0.04 3.06 2.90 3i9v41 PHE 168 HD2 -0.24 0.06 -0.09 -0.04 7.28 6.97 3i9v41 PHE 168 HE2 -0.03 0.01 -0.05 -0.04 7.38 7.27 3i9v41 PHE 168 HZ -0.00 0.00 -0.04 -0.04 7.32 7.23 3i9v41 HIS 169 H -0.43 0.16 0.09 -0.55 8.41 7.68 3i9v41 HIS 169 HA -0.10 0.01 0.24 -0.75 4.63 4.03 3i9v41 HIS 169 HB2 -0.02 0.18 0.03 -0.04 3.26 3.41 3i9v41 HIS 169 HB3 -0.03 0.08 0.13 -0.04 3.20 3.34 3i9v41 HIS 169 HD2 0.07 0.02 -0.14 -0.04 6.97 6.88 3i9v41 HIS 169 HE1 -0.00 0.02 -0.15 -0.04 7.75 7.57 3i9v41 HIS 170 H -1.25 -0.07 -0.50 -0.55 8.41 6.06 3i9v41 HIS 170 HA 0.09 0.11 0.24 -0.75 4.63 4.32 3i9v41 HIS 170 HB2 0.19 -0.07 -0.10 -0.04 3.26 3.24 3i9v41 HIS 170 HB3 0.09 0.09 -0.08 -0.04 3.20 3.25 3i9v41 HIS 170 HD2 -0.18 0.20 -0.25 -0.04 6.97 6.70 3i9v41 HIS 170 HE1 -0.06 -0.12 0.02 -0.04 7.75 7.55 3i9v41 ASN 171 H 0.17 0.22 0.10 -0.55 8.53 8.47 3i9v41 ASN 171 HA 0.13 0.17 0.78 -0.75 4.76 5.09 3i9v41 ASN 171 HB2 0.09 0.03 0.15 -0.04 2.88 3.12 3i9v41 ASN 171 HB3 0.11 -0.01 0.24 -0.04 2.79 3.09 3i9v41 ASN 171 HD21 0.06 -0.01 -0.03 -0.04 7.03 7.01 3i9v41 ASN 171 HD22 0.06 -0.02 0.02 -0.04 7.74 7.76 3i9v41 TYR 172 H 0.25 0.23 -0.21 -0.55 8.29 8.01 3i9v41 TYR 172 HA 0.10 0.22 0.98 -0.75 4.56 5.11 3i9v41 TYR 172 HB2 0.16 -0.01 -0.21 -0.04 3.06 2.96 3i9v41 TYR 172 HB3 0.20 -0.05 -0.02 -0.04 2.98 3.07 3i9v41 TYR 172 HD2 0.14 0.04 -0.09 -0.04 7.15 7.20 3i9v41 TYR 172 HE2 0.03 0.05 -0.10 -0.04 6.85 6.79 3i9v41 ILE 173 H 0.13 0.03 0.11 -0.55 8.25 7.97 3i9v41 ILE 173 HA -0.00 0.15 0.63 -0.75 4.18 4.20 3i9v41 ILE 173 HB -0.27 -0.07 0.10 -0.04 1.89 1.61 3i9v41 ILE 173 HG12 -0.05 0.10 -0.14 -0.04 1.49 1.36 3i9v41 ILE 173 HG13 -0.01 0.10 0.09 -0.04 1.21 1.35 3i9v41 ILE 173 HG23 -0.09 -0.02 -0.10 -0.04 0.93 0.68 3i9v41 ILE 173 HD13 -0.19 0.01 -0.23 -0.04 0.88 0.43 3i9v41 ARG 174 H -0.04 0.72 0.20 -0.55 8.46 8.79 3i9v41 ARG 174 HA 0.03 0.19 0.68 -0.75 4.34 4.48 3i9v41 ARG 174 HB2 -0.03 -0.13 -0.45 -0.04 1.90 1.25 3i9v41 ARG 174 HB3 0.02 -0.08 -0.09 -0.04 1.80 1.62 3i9v41 ARG 174 HG2 -0.06 0.08 -0.58 -0.04 1.67 1.06 3i9v41 ARG 174 HG3 -0.03 0.07 -0.37 -0.04 1.67 1.31 3i9v41 ARG 174 HD2 0.06 -0.03 -0.05 -0.04 3.22 3.17 3i9v41 ARG 174 HD3 0.05 0.05 0.04 -0.04 3.22 3.32 3i9v41 ILE 175 H 0.07 0.18 0.04 -0.55 8.25 8.00 3i9v41 ILE 175 HA -0.04 0.09 0.43 -0.75 4.18 3.90 3i9v41 ILE 175 HB 0.12 0.06 0.05 -0.04 1.89 2.07 3i9v41 ILE 175 HG12 0.13 -0.04 0.00 -0.04 1.49 1.54 3i9v41 ILE 175 HG13 0.28 0.02 -0.07 -0.04 1.21 1.40 3i9v41 ILE 175 HG23 -0.13 0.00 -0.13 -0.04 0.93 0.63 3i9v41 ILE 175 HD13 -0.10 -0.00 -0.05 -0.04 0.88 0.69 3i9v41 GLY 176 H 0.02 0.09 -0.21 -0.55 8.43 7.78 3i9v41 GLY 176 HA2 -0.04 0.07 0.43 -0.51 4.01 3.97 3i9v41 GLY 176 HA3 -0.02 0.03 0.22 -0.51 4.01 3.73 3i9v41 GLY 177 H -0.02 0.02 -0.49 -0.55 8.43 7.39 3i9v41 GLY 177 HA2 -0.01 0.04 0.48 -0.51 4.01 4.01 3i9v41 GLY 177 HA3 -0.02 0.24 0.42 -0.51 4.01 4.14 3i9v41 VAL 178 H -0.06 0.48 0.12 -0.55 8.24 8.23 3i9v41 VAL 178 HA -0.20 0.11 0.88 -0.75 4.13 4.17 3i9v41 VAL 178 HB -0.85 0.02 -0.00 -0.04 2.12 1.25 3i9v41 VAL 178 HG13 0.03 -0.03 -0.22 -0.04 0.97 0.71 3i9v41 VAL 178 HG23 -0.06 0.02 -0.11 -0.04 0.95 0.76 3i9v41 LYS 179 H -0.50 0.85 0.22 -0.55 8.42 8.43 3i9v41 LYS 179 HA -0.07 -0.04 0.25 -0.75 4.32 3.71 3i9v41 LYS 179 HB2 -0.11 0.11 0.18 -0.04 1.87 2.01 3i9v41 LYS 179 HB3 -0.10 -0.07 0.16 -0.04 1.79 1.74 3i9v41 LYS 179 HG2 0.05 -0.06 -0.09 -0.04 1.46 1.31 3i9v41 LYS 179 HG3 0.05 -0.05 0.01 -0.04 1.46 1.43 3i9v41 LYS 179 HD2 0.12 0.38 0.15 -0.04 1.69 2.29 3i9v41 LYS 179 HD3 0.17 -0.03 0.05 -0.04 1.68 1.82 3i9v41 LYS 179 HE2 0.09 -0.06 -0.03 -0.04 2.99 2.95 3i9v41 LYS 179 HE3 0.08 -0.04 0.00 -0.04 2.99 2.98 3i9v41 GLU 180 H -0.24 0.18 -0.05 -0.55 8.60 7.94 3i9v41 GLU 180 HA 0.01 0.10 0.46 -0.75 4.29 4.10 3i9v41 GLU 180 HB2 0.08 -0.16 0.18 -0.04 2.09 2.15 3i9v41 GLU 180 HB3 0.06 0.08 -0.03 -0.04 1.99 2.06 3i9v41 GLU 180 HG2 0.19 -0.06 -0.08 -0.04 2.34 2.35 3i9v41 GLU 180 HG3 0.21 0.26 -0.10 -0.04 2.34 2.67 3i9v41 ASP 181 H 0.07 0.05 0.10 -0.55 8.40 8.06 3i9v41 ASP 181 HA 0.08 0.09 0.46 -0.75 4.63 4.51 3i9v41 ASP 181 HB2 0.05 -0.05 0.10 -0.04 2.71 2.77 3i9v41 ASP 181 HB3 0.05 0.05 -0.03 -0.04 2.70 2.73 3i9v41 LEU 182 H 0.05 0.08 0.13 -0.55 8.37 8.08 3i9v41 LEU 182 HA 0.01 0.26 0.81 -0.75 4.35 4.68 3i9v41 LEU 182 HB2 -0.18 0.03 0.05 -0.04 1.64 1.51 3i9v41 LEU 182 HB3 -0.22 0.01 0.03 -0.04 1.64 1.42 3i9v41 LEU 182 HG 0.00 -0.03 0.06 -0.04 1.64 1.63 3i9v41 LEU 182 HD13 0.06 -0.01 -0.04 -0.04 0.93 0.90 3i9v41 LEU 182 HD23 -0.19 -0.00 -0.03 -0.04 0.89 0.62 3i9v41 PRO 183 HA 0.07 0.10 0.39 -0.51 4.44 4.49 3i9v41 PRO 183 HB2 0.14 -0.19 0.03 -0.04 2.28 2.22 3i9v41 PRO 183 HB3 0.17 0.15 0.14 -0.04 2.02 2.44 3i9v41 PRO 183 HG2 0.13 -0.18 -0.06 -0.04 2.03 1.88 3i9v41 PRO 183 HG3 0.27 0.47 -0.10 -0.04 2.03 2.64 3i9v41 PRO 183 HD2 -0.08 0.03 0.18 -0.04 3.68 3.77 3i9v41 PRO 183 HD3 0.05 0.30 0.25 -0.04 3.65 4.22 3i9v41 GLU 184 H 0.04 0.15 0.18 -0.55 8.60 8.43 3i9v41 GLU 184 HA -0.00 0.14 0.41 -0.75 4.29 4.08 3i9v41 GLU 184 HB2 -0.01 -0.02 0.12 -0.04 2.09 2.14 3i9v41 GLU 184 HB3 -0.02 0.03 0.07 -0.04 1.99 2.02 3i9v41 GLU 184 HG2 0.01 0.02 0.06 -0.04 2.34 2.39 3i9v41 GLU 184 HG3 0.01 0.06 0.07 -0.04 2.34 2.44 3i9v41 GLU 185 H -0.13 0.09 -0.10 -0.55 8.60 7.92 3i9v41 GLU 185 HA -0.30 0.09 0.38 -0.75 4.29 3.71 3i9v41 GLU 185 HB2 -1.19 0.05 0.00 -0.04 2.09 0.92 3i9v41 GLU 185 HB3 -1.29 0.02 0.06 -0.04 1.99 0.73 3i9v41 GLU 185 HG2 -0.21 0.04 0.02 -0.04 2.34 2.14 3i9v41 GLU 185 HG3 -0.18 -0.01 0.01 -0.04 2.34 2.12 3i9v41 PHE 186 H -0.06 0.35 -0.64 -0.55 8.34 7.44 3i9v41 PHE 186 HA -0.44 0.05 0.19 -0.75 4.62 3.66 3i9v41 PHE 186 HB2 -0.12 0.00 -0.02 -0.04 3.15 2.97 3i9v41 PHE 186 HB3 -0.11 0.14 0.02 -0.04 3.06 3.06 3i9v41 PHE 186 HD2 -0.09 0.03 -0.10 -0.04 7.28 7.08 3i9v41 PHE 186 HE2 -0.14 -0.00 -0.09 -0.04 7.38 7.11 3i9v41 PHE 186 HZ -0.17 -0.00 -0.08 -0.04 7.32 7.03 3i9v41 VAL 187 H -0.03 0.25 -0.07 -0.55 8.24 7.83 3i9v41 VAL 187 HA -0.24 0.05 0.42 -0.75 4.13 3.61 3i9v41 VAL 187 HB -0.08 0.05 0.11 -0.04 2.12 2.17 3i9v41 VAL 187 HG13 -0.05 0.00 -0.00 -0.04 0.97 0.88 3i9v41 VAL 187 HG23 0.04 0.02 0.07 -0.04 0.95 1.04 3i9v41 PRO 188 HA -0.14 0.03 0.35 -0.51 4.44 4.18 3i9v41 PRO 188 HB2 -0.16 0.03 -0.06 -0.04 2.28 2.05 3i9v41 PRO 188 HB3 -0.11 0.01 0.09 -0.04 2.02 1.96 3i9v41 PRO 188 HG2 -0.27 0.26 -0.01 -0.04 2.03 1.96 3i9v41 PRO 188 HG3 -0.15 0.03 0.04 -0.04 2.03 1.91 3i9v41 PRO 188 HD2 -0.15 0.04 -0.02 -0.04 3.68 3.50 3i9v41 PRO 188 HD3 -0.11 0.11 0.12 -0.04 3.65 3.73 3i9v41 GLU 189 H -0.36 0.40 -0.40 -0.55 8.60 7.69 3i9v41 GLU 189 HA -0.19 0.03 0.64 -0.75 4.29 4.01 3i9v41 GLU 189 HB2 -0.48 0.11 0.09 -0.04 2.09 1.77 3i9v41 GLU 189 HB3 -0.22 -0.05 0.05 -0.04 1.99 1.73 3i9v41 GLU 189 HG2 -0.49 0.26 0.11 -0.04 2.34 2.19 3i9v41 GLU 189 HG3 -0.77 -0.04 -0.00 -0.04 2.34 1.48 3i9v41 LEU 190 H -0.52 0.63 0.05 -0.55 8.37 7.99 3i9v41 LEU 190 HA -0.33 0.01 0.53 -0.75 4.35 3.80 3i9v41 LEU 190 HB2 -1.06 0.03 0.14 -0.04 1.64 0.71 3i9v41 LEU 190 HB3 -0.49 0.13 0.17 -0.04 1.64 1.42 3i9v41 LEU 190 HG -0.20 -0.01 -0.16 -0.04 1.64 1.23 3i9v41 LEU 190 HD13 -0.20 -0.03 0.07 -0.04 0.93 0.73 3i9v41 LEU 190 HD23 -0.15 -0.00 -0.04 -0.04 0.89 0.65 3i9v41 LYS 191 H -0.22 0.47 -0.24 -0.55 8.42 7.88 3i9v41 LYS 191 HA -0.11 0.04 0.44 -0.75 4.32 3.94 3i9v41 LYS 191 HB2 -0.12 0.16 0.10 -0.04 1.87 1.97 3i9v41 LYS 191 HB3 -0.08 -0.04 -0.04 -0.04 1.79 1.59 3i9v41 LYS 191 HG2 -0.08 -0.02 -0.02 -0.04 1.46 1.30 3i9v41 LYS 191 HG3 -0.13 0.12 -0.04 -0.04 1.46 1.37 3i9v41 LYS 191 HD2 -0.09 -0.06 -0.13 -0.04 1.69 1.36 3i9v41 LYS 191 HD3 -0.07 -0.03 -0.04 -0.04 1.68 1.51 3i9v41 LYS 191 HE2 -0.05 0.02 -0.04 -0.04 2.99 2.87 3i9v41 LYS 191 HE3 -0.07 0.01 -0.10 -0.04 2.99 2.79 3i9v41 LYS 192 H -0.12 0.36 -0.14 -0.55 8.42 7.97 3i9v41 LYS 192 HA -0.05 0.02 0.45 -0.75 4.32 3.98 3i9v41 LYS 192 HB2 -0.09 0.19 0.24 -0.04 1.87 2.17 3i9v41 LYS 192 HB3 -0.05 -0.05 0.02 -0.04 1.79 1.67 3i9v41 LYS 192 HG2 -0.05 -0.04 0.08 -0.04 1.46 1.41 3i9v41 LYS 192 HG3 -0.08 0.16 0.15 -0.04 1.46 1.64 3i9v41 LYS 192 HD2 -0.04 0.01 0.04 -0.04 1.69 1.66 3i9v41 LYS 192 HD3 -0.03 -0.03 0.02 -0.04 1.68 1.61 3i9v41 LYS 192 HE2 -0.02 -0.02 0.01 -0.04 2.99 2.92 3i9v41 LYS 192 HE3 -0.02 -0.02 0.01 -0.04 2.99 2.91 3i9v41 LEU 193 H -0.10 0.46 -0.09 -0.55 8.37 8.09 3i9v41 LEU 193 HA -0.05 -0.01 0.40 -0.75 4.35 3.95 3i9v41 LEU 193 HB2 -0.07 0.01 0.09 -0.04 1.64 1.63 3i9v41 LEU 193 HB3 -0.11 0.12 0.12 -0.04 1.64 1.73 3i9v41 LEU 193 HG -0.05 -0.09 0.05 -0.04 1.64 1.51 3i9v41 LEU 193 HD13 -0.06 0.01 -0.11 -0.04 0.93 0.74 3i9v41 LEU 193 HD23 -0.08 0.00 -0.22 -0.04 0.89 0.55 3i9v41 LEU 194 H -0.09 0.54 -0.28 -0.55 8.37 7.99 3i9v41 LEU 194 HA -0.05 -0.01 0.55 -0.75 4.35 4.09 3i9v41 LEU 194 HB2 -0.09 0.31 0.16 -0.04 1.64 1.98 3i9v41 LEU 194 HB3 -0.06 0.01 0.05 -0.04 1.64 1.60 3i9v41 LEU 194 HG -0.03 -0.02 0.13 -0.04 1.64 1.68 3i9v41 LEU 194 HD13 -0.05 -0.01 0.07 -0.04 0.93 0.89 3i9v41 LEU 194 HD23 -0.05 -0.02 -0.11 -0.04 0.89 0.67 3i9v41 GLU 195 H -0.04 0.33 -0.61 -0.55 8.60 7.73 3i9v41 GLU 195 HA -0.01 0.07 0.63 -0.75 4.29 4.23 3i9v41 GLU 195 HB2 -0.03 0.23 0.15 -0.04 2.09 2.39 3i9v41 GLU 195 HB3 -0.02 0.14 0.21 -0.04 1.99 2.28 3i9v41 GLU 195 HG2 -0.00 -0.06 -0.04 -0.04 2.34 2.19 3i9v41 GLU 195 HG3 -0.01 -0.04 0.07 -0.04 2.34 2.32 3i9v41 VAL 196 H -0.01 0.28 0.03 -0.55 8.24 7.99 3i9v41 VAL 196 HA 0.09 0.13 0.71 -0.75 4.13 4.31 3i9v41 VAL 196 HB 0.02 0.02 0.05 -0.04 2.12 2.16 3i9v41 VAL 196 HG13 -0.02 0.03 -0.00 -0.04 0.97 0.94 3i9v41 VAL 196 HG23 0.03 -0.02 0.05 -0.04 0.95 0.97 3i9v41 LEU 197 H -0.01 0.31 -0.17 -0.55 8.37 7.95 3i9v41 LEU 197 HA -0.05 0.02 0.61 -0.75 4.35 4.17 3i9v41 LEU 197 HB2 -0.03 0.19 0.17 -0.04 1.64 1.93 3i9v41 LEU 197 HB3 -0.02 -0.04 -0.08 -0.04 1.64 1.46 3i9v41 LEU 197 HG -0.04 0.12 0.05 -0.04 1.64 1.73 3i9v41 LEU 197 HD13 -0.04 -0.01 -0.01 -0.04 0.93 0.84 3i9v41 LEU 197 HD23 -0.03 -0.03 0.00 -0.04 0.89 0.79 3i9v41 PRO 198 HA 0.02 0.05 0.35 -0.51 4.44 4.34 3i9v41 PRO 198 HB2 0.09 -0.09 0.09 -0.04 2.28 2.32 3i9v41 PRO 198 HB3 0.04 0.02 0.07 -0.04 2.02 2.11 3i9v41 PRO 198 HG2 0.03 0.16 0.09 -0.04 2.03 2.27 3i9v41 PRO 198 HG3 0.01 0.07 0.12 -0.04 2.03 2.20 3i9v41 PRO 198 HD2 0.02 -0.03 -0.69 -0.04 3.68 2.94 3i9v41 PRO 198 HD3 -0.01 0.24 -0.01 -0.04 3.65 3.83 3i9v41 HIS 199 H 0.20 0.21 -0.20 -0.55 8.41 8.08 3i9v41 HIS 199 HA 0.01 0.07 0.50 -0.75 4.63 4.45 3i9v41 HIS 199 HB2 -0.01 -0.02 0.08 -0.04 3.26 3.28 3i9v41 HIS 199 HB3 -0.01 0.03 0.07 -0.04 3.20 3.24 3i9v41 HIS 199 HD2 -0.04 -0.05 -0.11 -0.04 6.97 6.73 3i9v41 HIS 199 HE1 -0.04 0.02 0.03 -0.04 7.75 7.71 3i9v41 ARG 200 H -0.36 0.21 -0.35 -0.55 8.46 7.41 3i9v41 ARG 200 HA -0.44 -0.01 0.52 -0.75 4.34 3.65 3i9v41 ARG 200 HB2 -0.27 0.29 0.27 -0.04 1.90 2.15 3i9v41 ARG 200 HB3 -0.10 0.07 0.36 -0.04 1.80 2.09 3i9v41 ARG 200 HG2 0.04 -0.02 -0.04 -0.04 1.67 1.61 3i9v41 ARG 200 HG3 0.30 -0.06 -0.23 -0.04 1.67 1.64 3i9v41 ARG 200 HD2 -0.12 0.05 -0.01 -0.04 3.22 3.11 3i9v41 ARG 200 HD3 0.06 -0.04 -0.04 -0.04 3.22 3.15 3i9v41 ILE 201 H -0.01 0.66 -0.06 -0.55 8.25 8.28 3i9v41 ILE 201 HA 0.15 0.02 0.41 -0.75 4.18 4.01 3i9v41 ILE 201 HB 0.01 0.17 0.08 -0.04 1.89 2.11 3i9v41 ILE 201 HG12 -0.02 -0.06 -0.13 -0.04 1.49 1.24 3i9v41 ILE 201 HG13 -0.04 -0.04 0.02 -0.04 1.21 1.11 3i9v41 ILE 201 HG23 0.02 -0.04 -0.10 -0.04 0.93 0.77 3i9v41 ILE 201 HD13 -0.02 0.03 -0.07 -0.04 0.88 0.78 3i9v41 ASP 202 H 0.03 0.25 -0.33 -0.55 8.40 7.79 3i9v41 ASP 202 HA 0.05 0.02 0.42 -0.75 4.63 4.37 3i9v41 ASP 202 HB2 0.05 0.18 0.18 -0.04 2.71 3.08 3i9v41 ASP 202 HB3 0.05 -0.05 0.04 -0.04 2.70 2.70 3i9v41 GLU 203 H -0.02 0.56 -0.11 -0.55 8.60 8.48 3i9v41 GLU 203 HA -0.03 -0.02 0.45 -0.75 4.29 3.94 3i9v41 GLU 203 HB2 -0.20 0.29 0.23 -0.04 2.09 2.38 3i9v41 GLU 203 HB3 -0.26 -0.06 -0.01 -0.04 1.99 1.61 3i9v41 GLU 203 HG2 0.01 0.02 0.07 -0.04 2.34 2.41 3i9v41 GLU 203 HG3 -0.10 -0.01 0.03 -0.04 2.34 2.21 3i9v41 TYR 204 H 0.18 0.39 -0.31 -0.55 8.29 7.99 3i9v41 TYR 204 HA 0.06 0.02 0.55 -0.75 4.56 4.44 3i9v41 TYR 204 HB2 0.03 0.19 0.16 -0.04 3.06 3.41 3i9v41 TYR 204 HB3 0.12 -0.03 -0.03 -0.04 2.98 3.00 3i9v41 TYR 204 HD2 0.06 0.12 0.03 -0.04 7.15 7.32 3i9v41 TYR 204 HE2 0.01 -0.00 -0.06 -0.04 6.85 6.75 3i9v41 GLU 205 H 0.16 0.52 0.01 -0.55 8.60 8.75 3i9v41 GLU 205 HA 0.12 0.02 0.44 -0.75 4.29 4.12 3i9v41 GLU 205 HB2 0.07 0.06 0.12 -0.04 2.09 2.30 3i9v41 GLU 205 HB3 0.07 0.12 0.15 -0.04 1.99 2.29 3i9v41 GLU 205 HG2 0.06 -0.06 -0.03 -0.04 2.34 2.28 3i9v41 GLU 205 HG3 0.03 -0.00 0.02 -0.04 2.34 2.35 3i9v41 ALA 206 H 0.07 0.56 -0.31 -0.55 8.40 8.17 3i9v41 ALA 206 HA 0.06 -0.05 0.32 -0.75 4.34 3.92 3i9v41 ALA 206 HB3 0.02 0.05 0.10 -0.04 1.41 1.54 3i9v41 LEU 207 H -0.02 0.44 -0.05 -0.55 8.37 8.20 3i9v41 LEU 207 HA -0.07 0.02 0.33 -0.75 4.35 3.88 3i9v41 LEU 207 HB2 -0.24 0.08 0.13 -0.04 1.64 1.58 3i9v41 LEU 207 HB3 -0.33 -0.05 0.04 -0.04 1.64 1.26 3i9v41 LEU 207 HG -0.13 0.20 0.14 -0.04 1.64 1.80 3i9v41 LEU 207 HD13 -0.15 -0.03 0.04 -0.04 0.93 0.75 3i9v41 LEU 207 HD23 -0.08 -0.02 0.04 -0.04 0.89 0.79 3i9v41 PHE 208 H 0.13 0.39 -0.43 -0.55 8.34 7.87 3i9v41 PHE 208 HA -0.08 0.02 0.60 -0.75 4.62 4.41 3i9v41 PHE 208 HB2 -0.11 0.10 0.06 -0.04 3.15 3.15 3i9v41 PHE 208 HB3 -0.22 -0.05 -0.05 -0.04 3.06 2.70 3i9v41 PHE 208 HD2 -1.03 0.14 -0.02 -0.04 7.28 6.34 3i9v41 PHE 208 HE2 -0.33 -0.02 -0.09 -0.04 7.38 6.90 3i9v41 PHE 208 HZ -0.19 -0.03 -0.22 -0.04 7.32 6.84 3i9v41 ALA 209 H 0.16 0.75 0.03 -0.55 8.40 8.79 3i9v41 ALA 209 HA 0.24 -0.02 0.50 -0.75 4.34 4.30 3i9v41 ALA 209 HB3 0.12 -0.04 0.09 -0.04 1.41 1.53 3i9v41 GLU 210 H 0.11 0.40 0.06 -0.55 8.60 8.62 3i9v41 GLU 210 HA 0.13 0.00 0.52 -0.75 4.29 4.20 3i9v41 GLU 210 HB2 0.05 0.08 0.15 -0.04 2.09 2.34 3i9v41 GLU 210 HB3 0.07 -0.06 0.12 -0.04 1.99 2.07 3i9v41 GLU 210 HG2 0.07 -0.03 0.03 -0.04 2.34 2.36 3i9v41 GLU 210 HG3 0.07 -0.02 0.09 -0.04 2.34 2.44 3i9v41 SER 211 H 0.28 0.66 -0.12 -0.55 8.46 8.74 3i9v41 SER 211 HA 0.24 0.20 0.25 -0.75 4.49 4.42 3i9v41 SER 211 HB2 0.53 -0.51 0.03 -0.04 3.95 3.96 3i9v41 SER 211 HB3 0.76 0.54 0.14 -0.04 3.93 5.32 3i9v41 PRO 212 HA 0.08 0.07 0.35 -0.51 4.44 4.43 3i9v41 PRO 212 HB2 0.04 0.01 0.11 -0.04 2.28 2.40 3i9v41 PRO 212 HB3 0.04 0.06 0.17 -0.04 2.02 2.25 3i9v41 PRO 212 HG2 0.06 -0.35 0.26 -0.04 2.03 1.95 3i9v41 PRO 212 HG3 0.00 0.09 0.19 -0.04 2.03 2.27 3i9v41 PRO 212 HD2 0.08 0.13 0.32 -0.04 3.68 4.17 3i9v41 PRO 212 HD3 0.05 0.52 0.46 -0.04 3.65 4.63 3i9v41 ILE 213 H 0.11 0.13 0.11 -0.55 8.25 8.05 3i9v41 ILE 213 HA 0.08 0.18 0.74 -0.75 4.18 4.42 3i9v41 ILE 213 HB 0.12 0.03 0.04 -0.04 1.89 2.03 3i9v41 ILE 213 HG12 0.04 0.05 0.02 -0.04 1.49 1.55 3i9v41 ILE 213 HG13 0.05 -0.02 -0.05 -0.04 1.21 1.14 3i9v41 ILE 213 HG23 0.07 0.01 -0.05 -0.04 0.93 0.92 3i9v41 ILE 213 HD13 0.03 0.02 0.11 -0.04 0.88 1.00 3i9v41 PHE 214 H 0.29 0.10 0.00 -0.55 8.34 8.18 3i9v41 PHE 214 HA 0.16 0.06 0.32 -0.75 4.62 4.40 3i9v41 PHE 214 HB2 0.12 0.04 0.13 -0.04 3.15 3.40 3i9v41 PHE 214 HB3 0.24 0.06 0.06 -0.04 3.06 3.38 3i9v41 PHE 214 HD2 0.22 0.16 0.05 -0.04 7.28 7.67 3i9v41 PHE 214 HE2 -0.22 0.05 -0.04 -0.04 7.38 7.14 3i9v41 PHE 214 HZ -0.14 0.05 -0.00 -0.04 7.32 7.19 3i9v41 TYR 215 H 0.34 0.29 -0.54 -0.55 8.29 7.83 3i9v41 TYR 215 HA -0.17 -0.01 0.45 -0.75 4.56 4.08 3i9v41 TYR 215 HB2 0.03 0.18 0.17 -0.04 3.06 3.40 3i9v41 TYR 215 HB3 -0.00 0.04 0.12 -0.04 2.98 3.10 3i9v41 TYR 215 HD2 -0.10 0.01 -0.19 -0.04 7.15 6.84 3i9v41 TYR 215 HE2 -0.11 -0.02 -0.01 -0.04 6.85 6.67 3i9v41 GLU 216 H 0.14 0.29 -0.04 -0.55 8.60 8.45 3i9v41 GLU 216 HA 0.08 -0.01 0.34 -0.75 4.29 3.95 3i9v41 GLU 216 HB2 -0.03 -0.01 0.16 -0.04 2.09 2.17 3i9v41 GLU 216 HB3 0.04 0.09 0.12 -0.04 1.99 2.20 3i9v41 GLU 216 HG2 0.02 0.00 0.11 -0.04 2.34 2.43 3i9v41 GLU 216 HG3 -0.01 -0.04 0.14 -0.04 2.34 2.39 3i9v41 ARG 217 H 0.08 0.27 -0.96 -0.55 8.46 7.30 3i9v41 ARG 217 HA 0.06 0.11 0.75 -0.75 4.34 4.51 3i9v41 ARG 217 HB2 0.17 0.08 0.08 -0.04 1.90 2.19 3i9v41 ARG 217 HB3 0.14 -0.04 -0.03 -0.04 1.80 1.82 3i9v41 ARG 217 HG2 0.11 0.10 -0.30 -0.04 1.67 1.55 3i9v41 ARG 217 HG3 0.17 -0.09 -0.29 -0.04 1.67 1.43 3i9v41 ARG 217 HD2 0.07 0.01 -0.04 -0.04 3.22 3.21 3i9v41 ARG 217 HD3 0.07 -0.03 -0.09 -0.04 3.22 3.13 3i9v41 ALA 218 H -0.09 0.51 0.26 -0.55 8.40 8.53 3i9v41 ALA 218 HA -0.00 0.21 0.93 -0.75 4.34 4.72 3i9v41 ALA 218 HB3 -0.24 -0.03 -0.04 -0.04 1.41 1.07 3i9v41 ARG 219 H -0.12 0.52 0.29 -0.55 8.46 8.60 3i9v41 ARG 219 HA -0.25 -0.06 0.33 -0.75 4.34 3.60 3i9v41 ARG 219 HB2 -0.15 0.39 0.29 -0.04 1.90 2.40 3i9v41 ARG 219 HB3 -0.07 -0.02 0.03 -0.04 1.80 1.70 3i9v41 ARG 219 HG2 -1.36 -0.03 0.11 -0.04 1.67 0.35 3i9v41 ARG 219 HG3 -1.37 -0.00 0.05 -0.04 1.67 0.31 3i9v41 ARG 219 HD2 -0.26 0.02 -0.04 -0.04 3.22 2.90 3i9v41 ARG 219 HD3 -0.36 -0.02 0.13 -0.04 3.22 2.92 3i9v41 GLY 220 H -0.01 0.08 -0.15 -0.55 8.43 7.81 3i9v41 GLY 220 HA2 -0.01 0.10 0.52 -0.51 4.01 4.11 3i9v41 GLY 220 HA3 0.00 -0.03 0.25 -0.51 4.01 3.73 3i9v41 VAL 221 H 0.00 0.01 -0.22 -0.55 8.24 7.48 3i9v41 VAL 221 HA 0.01 0.01 0.21 -0.75 4.13 3.61 3i9v41 VAL 221 HB 0.03 -0.00 -0.02 -0.04 2.12 2.08 3i9v41 VAL 221 HG13 0.02 -0.03 0.01 -0.04 0.97 0.93 3i9v41 VAL 221 HG23 0.02 -0.01 0.07 -0.04 0.95 0.99 3i9v41 GLY 222 H 0.02 0.07 0.17 -0.55 8.43 8.15 3i9v41 GLY 222 HA2 0.05 0.28 0.42 -0.51 4.01 4.26 3i9v41 GLY 222 HA3 0.05 -0.00 0.51 -0.51 4.01 4.06 3i9v41 VAL 223 H 0.06 0.15 0.20 -0.55 8.24 8.10 3i9v41 VAL 223 HA 0.06 0.12 0.44 -0.75 4.13 4.01 3i9v41 VAL 223 HB 0.10 -0.07 -0.02 -0.04 2.12 2.09 3i9v41 VAL 223 HG13 0.03 -0.01 -0.00 -0.04 0.97 0.94 3i9v41 VAL 223 HG23 0.11 -0.00 0.12 -0.04 0.95 1.14 3i9v41 ILE 224 H 0.05 0.32 0.15 -0.55 8.25 8.23 3i9v41 ILE 224 HA 0.01 0.18 0.97 -0.75 4.18 4.59 3i9v41 ILE 224 HB 0.01 -0.05 0.28 -0.04 1.89 2.10 3i9v41 ILE 224 HG12 0.02 -0.04 -0.09 -0.04 1.49 1.33 3i9v41 ILE 224 HG13 0.05 0.15 -0.37 -0.04 1.21 1.00 3i9v41 ILE 224 HG23 -0.04 -0.03 -0.07 -0.04 0.93 0.76 3i9v41 ILE 224 HD13 0.02 -0.01 -0.08 -0.04 0.88 0.76 3i9v41 PRO 225 HA 0.01 0.13 0.54 -0.51 4.44 4.61 3i9v41 PRO 225 HB2 -0.04 -0.14 -0.01 -0.04 2.28 2.05 3i9v41 PRO 225 HB3 0.04 0.08 0.08 -0.04 2.02 2.19 3i9v41 PRO 225 HG2 -0.33 -0.11 0.09 -0.04 2.03 1.63 3i9v41 PRO 225 HG3 0.02 0.10 0.03 -0.04 2.03 2.14 3i9v41 PRO 225 HD2 -0.00 0.36 0.02 -0.04 3.68 4.02 3i9v41 PRO 225 HD3 0.19 0.11 -0.16 -0.04 3.65 3.75 3i9v41 PRO 226 HA -0.02 0.16 0.38 -0.51 4.44 4.45 3i9v41 PRO 226 HB2 -0.01 -0.08 0.12 -0.04 2.28 2.27 3i9v41 PRO 226 HB3 -0.01 0.13 0.12 -0.04 2.02 2.23 3i9v41 PRO 226 HG2 0.00 -0.01 0.16 -0.04 2.03 2.15 3i9v41 PRO 226 HG3 0.00 0.33 0.26 -0.04 2.03 2.59 3i9v41 PRO 226 HD2 -0.00 0.01 0.24 -0.04 3.68 3.89 3i9v41 PRO 226 HD3 0.00 0.15 0.35 -0.04 3.65 4.11 3i9v41 GLU 227 H -0.02 0.11 -0.26 -0.55 8.60 7.88 3i9v41 GLU 227 HA -0.03 0.14 0.37 -0.75 4.29 4.02 3i9v41 GLU 227 HB2 -0.02 -0.00 0.02 -0.04 2.09 2.05 3i9v41 GLU 227 HB3 -0.02 0.03 0.09 -0.04 1.99 2.05 3i9v41 GLU 227 HG2 -0.02 0.03 -0.08 -0.04 2.34 2.23 3i9v41 GLU 227 HG3 -0.01 0.00 -0.01 -0.04 2.34 2.28 3i9v41 VAL 228 H -0.09 0.52 -0.33 -0.55 8.24 7.79 3i9v41 VAL 228 HA -0.10 0.21 0.92 -0.75 4.13 4.40 3i9v41 VAL 228 HB -0.33 0.11 0.08 -0.04 2.12 1.94 3i9v41 VAL 228 HG13 -0.39 0.00 -0.05 -0.04 0.97 0.49 3i9v41 VAL 228 HG23 -0.10 -0.01 -0.08 -0.04 0.95 0.72 3i9v41 ALA 229 H -0.10 0.53 0.03 -0.55 8.40 8.31 3i9v41 ALA 229 HA -0.08 0.04 0.53 -0.75 4.34 4.08 3i9v41 ALA 229 HB3 -0.04 0.08 0.06 -0.04 1.41 1.46 3i9v41 ILE 230 H -0.05 0.24 -0.49 -0.55 8.25 7.40 3i9v41 ILE 230 HA -0.02 0.06 0.46 -0.75 4.18 3.93 3i9v41 ILE 230 HB -0.03 0.06 -0.04 -0.04 1.89 1.83 3i9v41 ILE 230 HG12 -0.01 -0.08 -0.19 -0.04 1.49 1.16 3i9v41 ILE 230 HG13 -0.02 0.34 0.02 -0.04 1.21 1.51 3i9v41 ILE 230 HG23 -0.04 -0.00 0.05 -0.04 0.93 0.89 3i9v41 ILE 230 HD13 -0.02 -0.02 -0.08 -0.04 0.88 0.72 3i9v41 ASP 231 H -0.05 0.32 -0.74 -0.55 8.40 7.37 3i9v41 ASP 231 HA -0.03 0.18 0.86 -0.75 4.63 4.89 3i9v41 ASP 231 HB2 -0.04 0.06 0.05 -0.04 2.71 2.74 3i9v41 ASP 231 HB3 -0.06 0.16 0.17 -0.04 2.70 2.92 3i9v41 LEU 232 H -0.05 0.25 0.03 -0.55 8.37 8.06 3i9v41 LEU 232 HA -0.03 0.18 0.68 -0.75 4.35 4.42 3i9v41 LEU 232 HB2 -0.05 -0.03 -0.00 -0.04 1.64 1.51 3i9v41 LEU 232 HB3 -0.04 -0.01 0.02 -0.04 1.64 1.57 3i9v41 LEU 232 HG -0.09 0.15 0.02 -0.04 1.64 1.67 3i9v41 LEU 232 HD13 -0.08 0.01 -0.11 -0.04 0.93 0.72 3i9v41 LEU 232 HD23 -0.03 0.01 -0.11 -0.04 0.89 0.71 3i9v41 GLY 233 H -0.02 0.11 -0.32 -0.55 8.43 7.65 3i9v41 GLY 233 HA2 0.02 0.02 0.20 -0.51 4.01 3.74 3i9v41 GLY 233 HA3 0.02 0.07 0.29 -0.51 4.01 3.88 3i9v41 LEU 234 H -0.01 0.37 -0.06 -0.55 8.37 8.12 3i9v41 LEU 234 HA 0.01 0.14 0.42 -0.75 4.35 4.16 3i9v41 LEU 234 HB2 -0.02 0.05 0.07 -0.04 1.64 1.70 3i9v41 LEU 234 HB3 -0.01 -0.02 0.17 -0.04 1.64 1.74 3i9v41 LEU 234 HG -0.01 0.13 0.07 -0.04 1.64 1.78 3i9v41 LEU 234 HD13 -0.01 -0.03 -0.07 -0.04 0.93 0.79 3i9v41 LEU 234 HD23 -0.01 -0.06 0.00 -0.04 0.89 0.78 3i9v41 THR 235 H 0.06 0.77 -0.24 -0.55 8.28 8.32 3i9v41 THR 235 HA 0.11 0.04 0.23 -0.75 4.39 4.02 3i9v41 THR 235 HB 0.07 -0.01 0.19 -0.04 4.32 4.53 3i9v41 THR 235 HG23 0.14 0.00 0.16 -0.04 1.22 1.48 3i9v41 GLY 236 H 0.02 0.21 -1.17 -0.55 8.43 6.94 3i9v41 GLY 236 HA2 -0.00 0.22 -0.48 -0.51 4.01 3.24 3i9v41 GLY 236 HA3 -0.02 0.19 0.20 -0.51 4.01 3.88 3i9v41 GLY 237 H -0.01 0.83 0.52 -0.55 8.43 9.22 3i9v41 GLY 237 HA2 -0.04 -0.01 0.42 -0.51 4.01 3.88 3i9v41 GLY 237 HA3 -0.04 0.13 0.42 -0.51 4.01 4.02 3i9v41 SER 238 H -0.04 0.05 -1.42 -0.55 8.46 6.51 3i9v41 SER 238 HA -0.05 0.10 0.55 -0.75 4.49 4.33 3i9v41 SER 238 HB2 -0.04 0.03 0.10 -0.04 3.95 4.00 3i9v41 SER 238 HB3 -0.10 0.17 -0.02 -0.04 3.93 3.94 3i9v41 LEU 239 H -0.01 -0.07 -0.22 -0.55 8.37 7.52 3i9v41 LEU 239 HA 0.00 0.26 0.66 -0.75 4.35 4.52 3i9v41 LEU 239 HB2 0.03 0.10 -0.11 -0.04 1.64 1.61 3i9v41 LEU 239 HB3 0.04 -0.03 0.00 -0.04 1.64 1.61 3i9v41 LEU 239 HG 0.05 0.06 -0.35 -0.04 1.64 1.35 3i9v41 LEU 239 HD13 0.15 -0.01 -0.14 -0.04 0.93 0.89 3i9v41 LEU 239 HD23 0.02 -0.01 -0.15 -0.04 0.89 0.71 3i9v41 ARG 240 H -0.00 0.06 -0.06 -0.55 8.46 7.91 3i9v41 ARG 240 HA 0.01 0.08 0.59 -0.75 4.34 4.27 3i9v41 ARG 240 HB2 -0.01 0.09 0.14 -0.04 1.90 2.08 3i9v41 ARG 240 HB3 -0.01 -0.06 0.14 -0.04 1.80 1.82 3i9v41 ARG 240 HG2 -0.03 -0.05 -0.18 -0.04 1.67 1.36 3i9v41 ARG 240 HG3 -0.03 0.12 -0.27 -0.04 1.67 1.45 3i9v41 ARG 240 HD2 -0.05 -0.00 -0.05 -0.04 3.22 3.07 3i9v41 ARG 240 HD3 -0.06 0.08 -0.07 -0.04 3.22 3.14 3i9v41 ALA 241 H -0.02 0.01 -0.74 -0.55 8.40 7.11 3i9v41 ALA 241 HA -0.01 0.02 0.29 -0.75 4.34 3.89 3i9v41 ALA 241 HB3 -0.01 0.07 -0.13 -0.04 1.41 1.29 3i9v41 SER 242 H 0.00 0.34 -0.95 -0.55 8.46 7.31 3i9v41 SER 242 HA 0.01 0.12 0.51 -0.75 4.49 4.37 3i9v41 SER 242 HB2 0.00 0.04 0.25 -0.04 3.95 4.20 3i9v41 SER 242 HB3 0.00 0.03 -0.09 -0.04 3.93 3.83 3i9v41 GLY 243 H 0.00 0.29 -0.17 -0.55 8.43 8.00 3i9v41 GLY 243 HA2 0.00 0.03 0.31 -0.51 4.01 3.85 3i9v41 GLY 243 HA3 0.00 0.10 0.41 -0.51 4.01 4.02 3i9v41 VAL 244 H 0.01 0.15 0.01 -0.55 8.24 7.86 3i9v41 VAL 244 HA 0.02 0.20 0.96 -0.75 4.13 4.55 3i9v41 VAL 244 HB 0.04 -0.08 -0.17 -0.04 2.12 1.87 3i9v41 VAL 244 HG13 0.05 -0.02 -0.22 -0.04 0.97 0.74 3i9v41 VAL 244 HG23 0.01 0.04 -0.19 -0.04 0.95 0.76 3i9v41 ASN 245 H 0.03 0.21 0.02 -0.55 8.53 8.24 3i9v41 ASN 245 HA 0.02 0.17 0.63 -0.75 4.76 4.82 3i9v41 ASN 245 HB2 0.01 0.03 0.05 -0.04 2.88 2.93 3i9v41 ASN 245 HB3 0.02 0.00 0.21 -0.04 2.79 2.98 3i9v41 ASN 245 HD21 0.00 0.00 -0.01 -0.04 7.03 6.98 3i9v41 ASN 245 HD22 0.01 -0.01 0.05 -0.04 7.74 7.76 3i9v41 TYR 246 H 0.09 0.39 -0.20 -0.55 8.29 8.03 3i9v41 TYR 246 HA -0.04 0.20 0.86 -0.75 4.56 4.83 3i9v41 TYR 246 HB2 -0.02 0.06 -0.20 -0.04 3.06 2.86 3i9v41 TYR 246 HB3 -0.01 -0.02 -0.00 -0.04 2.98 2.91 3i9v41 TYR 246 HD2 -0.04 0.03 -0.06 -0.04 7.15 7.04 3i9v41 TYR 246 HE2 -0.07 0.01 -0.09 -0.04 6.85 6.66 3i9v41 ASP 247 H -0.07 0.29 0.00 -0.55 8.40 8.07 3i9v41 ASP 247 HA -0.27 0.17 0.80 -0.75 4.63 4.57 3i9v41 ASP 247 HB2 -0.11 0.11 -0.02 -0.04 2.71 2.66 3i9v41 ASP 247 HB3 -0.07 0.02 0.05 -0.04 2.70 2.66 3i9v41 VAL 248 H -0.22 0.22 0.03 -0.55 8.24 7.72 3i9v41 VAL 248 HA -0.11 0.04 0.16 -0.75 4.13 3.46 3i9v41 VAL 248 HB 0.10 -0.07 -0.17 -0.04 2.12 1.94 3i9v41 VAL 248 HG13 0.32 0.05 -0.23 -0.04 0.97 1.06 3i9v41 VAL 248 HG23 -0.09 0.02 -0.09 -0.04 0.95 0.75 3i9v41 ARG 249 H 0.05 0.05 -0.24 -0.55 8.46 7.77 3i9v41 ARG 249 HA -0.40 0.05 0.33 -0.75 4.34 3.56 3i9v41 ARG 249 HB2 0.54 0.08 -0.18 -0.04 1.90 2.31 3i9v41 ARG 249 HB3 0.38 -0.04 0.05 -0.04 1.80 2.16 3i9v41 ARG 249 HG2 0.25 -0.03 0.06 -0.04 1.67 1.91 3i9v41 ARG 249 HG3 0.19 -0.13 0.02 -0.04 1.67 1.72 3i9v41 ARG 249 HD2 0.61 0.03 -0.04 -0.04 3.22 3.78 3i9v41 ARG 249 HD3 0.54 0.07 0.01 -0.04 3.22 3.79 3i9v41 LYS 250 H 0.03 0.27 -0.68 -0.55 8.42 7.48 3i9v41 LYS 250 HA 0.08 0.20 0.76 -0.75 4.32 4.61 3i9v41 LYS 250 HB2 0.03 0.04 0.10 -0.04 1.87 1.99 3i9v41 LYS 250 HB3 0.05 0.03 -0.06 -0.04 1.79 1.78 3i9v41 LYS 250 HG2 0.27 -0.13 -0.28 -0.04 1.46 1.28 3i9v41 LYS 250 HG3 0.05 -0.03 -0.10 -0.04 1.46 1.34 3i9v41 LYS 250 HD2 0.13 0.03 -0.01 -0.04 1.69 1.80 3i9v41 LYS 250 HD3 0.34 0.07 -0.12 -0.04 1.68 1.93 3i9v41 LYS 250 HE2 0.39 -0.09 -0.17 -0.04 2.99 3.07 3i9v41 LYS 250 HE3 0.09 -0.05 -0.06 -0.04 2.99 2.93 3i9v41 ALA 251 H -0.05 0.26 0.10 -0.55 8.40 8.17 3i9v41 ALA 251 HA -0.08 0.09 0.43 -0.75 4.34 4.03 3i9v41 ALA 251 HB3 -0.18 -0.03 0.00 -0.04 1.41 1.16 3i9v41 TYR 252 H 0.00 0.34 -0.04 -0.55 8.29 8.04 3i9v41 TYR 252 HA 0.07 0.20 0.78 -0.75 4.56 4.86 3i9v41 TYR 252 HB2 0.15 -0.06 0.18 -0.04 3.06 3.29 3i9v41 TYR 252 HB3 0.12 0.04 0.10 -0.04 2.98 3.20 3i9v41 TYR 252 HD2 0.16 0.04 0.02 -0.04 7.15 7.33 3i9v41 TYR 252 HE2 0.13 -0.02 -0.04 -0.04 6.85 6.87 3i9v41 PRO 253 HA -0.19 -0.04 0.29 -0.51 4.44 3.98 3i9v41 PRO 253 HB2 0.02 -0.01 -0.01 -0.04 2.28 2.24 3i9v41 PRO 253 HB3 -0.03 -0.04 0.03 -0.04 2.02 1.94 3i9v41 PRO 253 HG2 0.04 0.01 0.01 -0.04 2.03 2.05 3i9v41 PRO 253 HG3 0.02 0.20 -0.15 -0.04 2.03 2.06 3i9v41 PRO 253 HD2 0.10 0.06 0.05 -0.04 3.68 3.85 3i9v41 PRO 253 HD3 0.08 0.29 -0.57 -0.04 3.65 3.41 3i9v41 TYR 254 H -0.48 -0.08 0.13 -0.55 8.29 7.31 3i9v41 TYR 254 HA 0.00 0.36 1.09 -0.75 4.56 5.26 3i9v41 TYR 254 HB2 -0.06 0.02 0.09 -0.04 3.06 3.07 3i9v41 TYR 254 HB3 -0.01 0.22 -0.05 -0.04 2.98 3.09 3i9v41 TYR 254 HD2 -0.15 -0.34 0.15 -0.04 7.15 6.77 3i9v41 TYR 254 HE2 -0.39 -0.06 0.08 -0.04 6.85 6.45 3i9v41 SER 255 H 0.70 0.14 0.14 -0.55 8.46 8.89 3i9v41 SER 255 HA 0.07 0.19 0.15 -0.75 4.49 4.15 3i9v41 SER 255 HB2 0.03 0.10 0.13 -0.04 3.95 4.17 3i9v41 SER 255 HB3 0.02 -0.02 0.12 -0.04 3.93 4.01 3i9v41 GLY 256 H 0.06 0.40 -0.57 -0.55 8.43 7.78 3i9v41 GLY 256 HA2 0.09 0.07 0.26 -0.51 4.01 3.92 3i9v41 GLY 256 HA3 0.16 0.25 0.69 -0.51 4.01 4.60 3i9v41 TYR 257 H 0.11 -0.02 -0.27 -0.55 8.29 7.57 3i9v41 TYR 257 HA -0.11 0.14 0.50 -0.75 4.56 4.33 3i9v41 TYR 257 HB2 -0.34 -0.19 0.10 -0.04 3.06 2.58 3i9v41 TYR 257 HB3 -0.49 0.17 -0.01 -0.04 2.98 2.61 3i9v41 TYR 257 HD2 -0.23 -0.00 -0.11 -0.04 7.15 6.77 3i9v41 TYR 257 HE2 -0.00 0.02 -0.02 -0.04 6.85 6.80 3i9v41 GLU 258 H 0.04 -0.07 -0.19 -0.55 8.60 7.84 3i9v41 GLU 258 HA 0.00 0.13 0.38 -0.75 4.29 4.05 3i9v41 GLU 258 HB2 0.03 -0.09 -0.00 -0.04 2.09 1.98 3i9v41 GLU 258 HB3 0.03 0.04 -0.16 -0.04 1.99 1.86 3i9v41 GLU 258 HG2 0.02 0.02 0.04 -0.04 2.34 2.37 3i9v41 GLU 258 HG3 0.02 0.04 0.04 -0.04 2.34 2.41 3i9v41 THR 259 H 0.09 0.20 -1.26 -0.55 8.28 6.76 3i9v41 THR 259 HA -0.05 0.18 0.84 -0.75 4.39 4.61 3i9v41 THR 259 HB -0.11 -0.04 0.12 -0.04 4.32 4.25 3i9v41 THR 259 HG23 -0.02 -0.03 -0.25 -0.04 1.22 0.89 3i9v41 TYR 260 H -0.00 0.56 0.03 -0.55 8.29 8.33 3i9v41 TYR 260 HA -0.08 0.19 0.99 -0.75 4.56 4.91 3i9v41 TYR 260 HB2 -0.47 0.01 0.10 -0.04 3.06 2.65 3i9v41 TYR 260 HB3 -0.23 0.00 -0.03 -0.04 2.98 2.68 3i9v41 TYR 260 HD2 -0.07 -0.01 0.08 -0.04 7.15 7.10 3i9v41 TYR 260 HE2 0.02 -0.00 -0.13 -0.04 6.85 6.71 3i9v41 THR 261 H 0.08 0.14 0.10 -0.55 8.28 8.06 3i9v41 THR 261 HA 0.08 0.10 0.62 -0.75 4.39 4.43 3i9v41 THR 261 HB 0.06 -0.00 0.15 -0.04 4.32 4.49 3i9v41 THR 261 HG23 0.05 -0.01 -0.17 -0.04 1.22 1.05 3i9v41 PHE 262 H 0.17 0.20 0.11 -0.55 8.34 8.27 3i9v41 PHE 262 HA -0.04 0.12 0.48 -0.75 4.62 4.43 3i9v41 PHE 262 HB2 -0.01 0.29 -0.15 -0.04 3.15 3.24 3i9v41 PHE 262 HB3 -0.02 -0.03 0.01 -0.04 3.06 2.98 3i9v41 PHE 262 HD2 -0.08 0.07 -0.22 -0.04 7.28 7.01 3i9v41 PHE 262 HE2 -0.18 -0.07 -0.18 -0.04 7.38 6.90 3i9v41 PHE 262 HZ -0.24 -0.07 -0.09 -0.04 7.32 6.88 3i9v41 ASP 263 H -0.12 0.20 0.14 -0.55 8.40 8.06 3i9v41 ASP 263 HA -0.07 0.18 0.93 -0.75 4.63 4.91 3i9v41 ASP 263 HB2 -0.07 -0.02 0.10 -0.04 2.71 2.68 3i9v41 ASP 263 HB3 -0.07 0.01 -0.12 -0.04 2.70 2.48 3i9v41 VAL 264 H -0.11 0.20 0.02 -0.55 8.24 7.80 3i9v41 VAL 264 HA -0.23 0.16 0.77 -0.75 4.13 4.08 3i9v41 VAL 264 HB -0.08 -0.00 0.12 -0.04 2.12 2.12 3i9v41 VAL 264 HG13 -0.09 0.02 -0.14 -0.04 0.97 0.72 3i9v41 VAL 264 HG23 -0.17 -0.00 -0.14 -0.04 0.95 0.59 3i9v41 PRO 265 HA -0.04 0.00 0.29 -0.51 4.44 4.18 3i9v41 PRO 265 HB2 -0.05 0.01 -0.05 -0.04 2.28 2.14 3i9v41 PRO 265 HB3 -0.04 0.02 0.05 -0.04 2.02 2.01 3i9v41 PRO 265 HG2 -0.07 -0.01 -0.12 -0.04 2.03 1.80 3i9v41 PRO 265 HG3 -0.07 0.02 -0.10 -0.04 2.03 1.85 3i9v41 PRO 265 HD2 -0.13 0.03 0.18 -0.04 3.68 3.72 3i9v41 PRO 265 HD3 -0.16 0.62 0.16 -0.04 3.65 4.23 3i9v41 LEU 266 H -0.02 0.18 0.16 -0.55 8.37 8.15 3i9v41 LEU 266 HA -0.02 0.18 0.54 -0.75 4.35 4.30 3i9v41 LEU 266 HB2 -0.01 -0.07 -0.04 -0.04 1.64 1.48 3i9v41 LEU 266 HB3 -0.00 0.06 0.03 -0.04 1.64 1.69 3i9v41 LEU 266 HG -0.02 0.23 -0.45 -0.04 1.64 1.36 3i9v41 LEU 266 HD13 -0.01 -0.03 -0.11 -0.04 0.93 0.74 3i9v41 LEU 266 HD23 -0.00 -0.03 -0.19 -0.04 0.89 0.63 3i9v41 GLY 267 H 0.00 0.55 0.24 -0.55 8.43 8.67 3i9v41 GLY 267 HA2 0.02 0.11 0.85 -0.51 4.01 4.48 3i9v41 GLY 267 HA3 0.02 0.10 0.21 -0.51 4.01 3.83 3i9v41 GLU 268 H 0.03 0.07 0.08 -0.55 8.60 8.23 3i9v41 GLU 268 HA 0.01 0.11 0.28 -0.75 4.29 3.94 3i9v41 GLU 268 HB2 0.02 -0.05 0.20 -0.04 2.09 2.22 3i9v41 GLU 268 HB3 0.01 0.03 0.02 -0.04 1.99 2.00 3i9v41 GLU 268 HG2 0.02 -0.03 -0.04 -0.04 2.34 2.26 3i9v41 GLU 268 HG3 0.02 0.01 0.02 -0.04 2.34 2.34 3i9v41 ARG 269 H 0.01 0.09 0.15 -0.55 8.46 8.16 3i9v41 ARG 269 HA 0.01 0.26 0.97 -0.75 4.34 4.82 3i9v41 ARG 269 HB2 0.00 -0.01 0.04 -0.04 1.90 1.89 3i9v41 ARG 269 HB3 -0.00 -0.02 0.11 -0.04 1.80 1.85 3i9v41 ARG 269 HG2 0.01 0.00 -0.06 -0.04 1.67 1.58 3i9v41 ARG 269 HG3 0.02 0.05 -0.29 -0.04 1.67 1.41 3i9v41 ARG 269 HD2 0.02 -0.01 -0.03 -0.04 3.22 3.16 3i9v41 ARG 269 HD3 0.01 0.08 0.14 -0.04 3.22 3.41 3i9v41 GLY 270 H 0.02 0.21 0.10 -0.55 8.43 8.21 3i9v41 GLY 270 HA2 0.02 0.22 0.14 -0.51 4.01 3.88 3i9v41 GLY 270 HA3 0.02 0.09 0.44 -0.51 4.01 4.05 3i9v41 ASP 271 H 0.04 0.45 0.54 -0.55 8.40 8.88 3i9v41 ASP 271 HA 0.04 0.65 0.92 -0.75 4.63 5.48 3i9v41 ASP 271 HB2 0.02 0.18 0.13 -0.04 2.71 3.00 3i9v41 ASP 271 HB3 0.01 0.03 0.02 -0.04 2.70 2.72 3i9v41 VAL 272 H 0.04 0.56 0.26 -0.55 8.24 8.56 3i9v41 VAL 272 HA 0.08 0.12 0.65 -0.75 4.13 4.23 3i9v41 VAL 272 HB 0.08 0.05 0.05 -0.04 2.12 2.27 3i9v41 VAL 272 HG13 0.05 0.08 0.08 -0.04 0.97 1.14 3i9v41 VAL 272 HG23 0.12 -0.04 -0.17 -0.04 0.95 0.82 3i9v41 PHE 273 H 0.08 0.34 -0.12 -0.55 8.34 8.09 3i9v41 PHE 273 HA -0.27 0.07 0.40 -0.75 4.62 4.07 3i9v41 PHE 273 HB2 -0.42 -0.08 -0.13 -0.04 3.15 2.47 3i9v41 PHE 273 HB3 -0.19 0.05 -0.02 -0.04 3.06 2.86 3i9v41 PHE 273 HD2 -0.49 -0.03 -0.18 -0.04 7.28 6.54 3i9v41 PHE 273 HE2 0.02 0.02 0.01 -0.04 7.38 7.40 3i9v41 PHE 273 HZ 0.03 0.09 0.10 -0.04 7.32 7.50 3i9v41 ASP 274 H 0.14 0.18 -0.36 -0.55 8.40 7.81 3i9v41 ASP 274 HA 0.03 0.05 0.48 -0.75 4.63 4.43 3i9v41 ASP 274 HB2 0.08 0.15 0.12 -0.04 2.71 3.02 3i9v41 ASP 274 HB3 0.04 0.05 -0.01 -0.04 2.70 2.73 3i9v41 ARG 275 H 0.05 0.43 -0.13 -0.55 8.46 8.25 3i9v41 ARG 275 HA -0.01 -0.05 0.45 -0.75 4.34 3.98 3i9v41 ARG 275 HB2 0.07 0.01 0.22 -0.04 1.90 2.16 3i9v41 ARG 275 HB3 0.03 0.10 0.03 -0.04 1.80 1.93 3i9v41 ARG 275 HG2 -0.02 -0.16 0.07 -0.04 1.67 1.52 3i9v41 ARG 275 HG3 0.02 0.11 0.01 -0.04 1.67 1.77 3i9v41 ARG 275 HD2 0.01 0.18 -0.09 -0.04 3.22 3.28 3i9v41 ARG 275 HD3 0.01 0.01 -0.07 -0.04 3.22 3.13 3i9v41 MET 276 H 0.08 0.64 -0.23 -0.55 8.47 8.41 3i9v41 MET 276 HA 0.23 0.04 0.37 -0.75 4.52 4.40 3i9v41 MET 276 HB2 -0.00 -0.01 0.05 -0.04 2.15 2.14 3i9v41 MET 276 HB3 0.19 0.14 0.10 -0.04 2.03 2.42 3i9v41 MET 276 HG2 -0.84 -0.04 -0.07 -0.04 2.63 1.65 3i9v41 MET 276 HG3 -0.53 0.01 -0.42 -0.04 2.56 1.58 3i9v41 MET 276 HE3 -0.64 0.01 -0.01 -0.04 2.10 1.43 3i9v41 LEU 277 H -0.09 0.31 -0.39 -0.55 8.37 7.65 3i9v41 LEU 277 HA -0.14 0.03 0.44 -0.75 4.35 3.93 3i9v41 LEU 277 HB2 -0.10 0.06 0.20 -0.04 1.64 1.76 3i9v41 LEU 277 HB3 -0.06 -0.08 -0.01 -0.04 1.64 1.45 3i9v41 LEU 277 HG -0.44 0.26 0.04 -0.04 1.64 1.46 3i9v41 LEU 277 HD13 -0.17 -0.02 -0.04 -0.04 0.93 0.66 3i9v41 LEU 277 HD23 -0.08 -0.02 -0.11 -0.04 0.89 0.64 3i9v41 VAL 278 H -0.05 0.86 0.08 -0.55 8.24 8.59 3i9v41 VAL 278 HA -0.04 -0.04 0.30 -0.75 4.13 3.60 3i9v41 VAL 278 HB -0.06 0.17 0.12 -0.04 2.12 2.31 3i9v41 VAL 278 HG13 -0.05 -0.02 -0.22 -0.04 0.97 0.63 3i9v41 VAL 278 HG23 -0.02 0.09 -0.17 -0.04 0.95 0.81 3i9v41 ARG 279 H -0.09 0.51 -0.33 -0.55 8.46 7.99 3i9v41 ARG 279 HA -0.21 -0.02 0.34 -0.75 4.34 3.70 3i9v41 ARG 279 HB2 -0.04 0.15 0.01 -0.04 1.90 1.98 3i9v41 ARG 279 HB3 -0.71 -0.11 0.05 -0.04 1.80 0.99 3i9v41 ARG 279 HG2 -0.28 -0.08 -0.01 -0.04 1.67 1.26 3i9v41 ARG 279 HG3 -0.22 0.42 0.08 -0.04 1.67 1.90 3i9v41 ARG 279 HD2 -1.66 0.01 -0.04 -0.04 3.22 1.49 3i9v41 ARG 279 HD3 -0.84 -0.11 0.00 -0.04 3.22 2.23 3i9v41 ILE 280 H -0.09 0.50 -0.35 -0.55 8.25 7.76 3i9v41 ILE 280 HA -0.06 0.03 0.54 -0.75 4.18 3.94 3i9v41 ILE 280 HB -0.05 0.10 0.14 -0.04 1.89 2.04 3i9v41 ILE 280 HG12 -0.15 -0.09 -0.04 -0.04 1.49 1.17 3i9v41 ILE 280 HG13 -0.18 0.45 0.16 -0.04 1.21 1.61 3i9v41 ILE 280 HG23 0.02 -0.05 -0.02 -0.04 0.93 0.84 3i9v41 ILE 280 HD13 -0.21 -0.04 -0.14 -0.04 0.88 0.45 3i9v41 ARG 281 H -0.04 0.57 -0.05 -0.55 8.46 8.38 3i9v41 ARG 281 HA -0.01 0.02 0.51 -0.75 4.34 4.10 3i9v41 ARG 281 HB2 -0.04 0.19 0.17 -0.04 1.90 2.18 3i9v41 ARG 281 HB3 -0.03 -0.08 0.05 -0.04 1.80 1.71 3i9v41 ARG 281 HG2 -0.02 0.10 0.00 -0.04 1.67 1.71 3i9v41 ARG 281 HG3 -0.02 -0.01 -0.04 -0.04 1.67 1.56 3i9v41 ARG 281 HD2 -0.01 -0.02 0.00 -0.04 3.22 3.15 3i9v41 ARG 281 HD3 -0.00 -0.04 0.01 -0.04 3.22 3.15 3i9v41 GLU 282 H -0.02 0.54 -0.15 -0.55 8.60 8.42 3i9v41 GLU 282 HA -0.05 0.02 0.37 -0.75 4.29 3.87 3i9v41 GLU 282 HB2 0.17 0.16 0.06 -0.04 2.09 2.44 3i9v41 GLU 282 HB3 0.04 -0.09 0.08 -0.04 1.99 1.98 3i9v41 GLU 282 HG2 -0.04 -0.06 0.03 -0.04 2.34 2.22 3i9v41 GLU 282 HG3 -0.03 0.33 -0.06 -0.04 2.34 2.53 3i9v41 MET 283 H 0.02 0.31 -0.80 -0.55 8.47 7.45 3i9v41 MET 283 HA 0.01 0.00 0.44 -0.75 4.52 4.22 3i9v41 MET 283 HB2 -0.01 0.29 0.13 -0.04 2.15 2.53 3i9v41 MET 283 HB3 -0.02 -0.08 0.05 -0.04 2.03 1.94 3i9v41 MET 283 HG2 0.14 -0.09 0.02 -0.04 2.63 2.65 3i9v41 MET 283 HG3 0.04 0.28 0.19 -0.04 2.56 3.03 3i9v41 MET 283 HE3 -0.14 0.03 0.07 -0.04 2.10 2.02 3i9v41 ARG 284 H -0.01 0.45 -0.10 -0.55 8.46 8.25 3i9v41 ARG 284 HA -0.01 0.06 0.54 -0.75 4.34 4.17 3i9v41 ARG 284 HB2 -0.01 0.14 0.15 -0.04 1.90 2.14 3i9v41 ARG 284 HB3 -0.00 -0.03 -0.02 -0.04 1.80 1.71 3i9v41 ARG 284 HG2 0.01 0.01 0.05 -0.04 1.67 1.69 3i9v41 ARG 284 HG3 0.00 0.08 0.09 -0.04 1.67 1.80 3i9v41 ARG 284 HD2 0.00 0.01 0.03 -0.04 3.22 3.22 3i9v41 ARG 284 HD3 0.01 -0.01 0.01 -0.04 3.22 3.18 3i9v41 GLU 285 H -0.04 0.37 -0.12 -0.55 8.60 8.27 3i9v41 GLU 285 HA -0.02 0.05 0.43 -0.75 4.29 3.99 3i9v41 GLU 285 HB2 -0.13 0.07 0.14 -0.04 2.09 2.13 3i9v41 GLU 285 HB3 -0.18 -0.06 0.12 -0.04 1.99 1.83 3i9v41 GLU 285 HG2 -0.07 0.07 0.05 -0.04 2.34 2.35 3i9v41 GLU 285 HG3 -0.14 0.41 0.16 -0.04 2.34 2.72 3i9v41 SER 286 H -0.04 0.47 -0.23 -0.55 8.46 8.12 3i9v41 SER 286 HA -0.03 0.02 0.66 -0.75 4.49 4.39 3i9v41 SER 286 HB2 -0.04 0.14 0.20 -0.04 3.95 4.21 3i9v41 SER 286 HB3 -0.05 -0.03 0.03 -0.04 3.93 3.84 3i9v41 VAL 287 H -0.02 0.58 -0.05 -0.55 8.24 8.20 3i9v41 VAL 287 HA -0.03 -0.04 0.28 -0.75 4.13 3.60 3i9v41 VAL 287 HB -0.01 0.12 0.15 -0.04 2.12 2.34 3i9v41 VAL 287 HG13 -0.02 -0.03 0.05 -0.04 0.97 0.93 3i9v41 VAL 287 HG23 -0.02 0.15 0.12 -0.04 0.95 1.16 3i9v41 LYS 288 H -0.00 0.34 -0.59 -0.55 8.42 7.61 3i9v41 LYS 288 HA 0.02 0.05 0.69 -0.75 4.32 4.31 3i9v41 LYS 288 HB2 0.03 0.09 0.14 -0.04 1.87 2.09 3i9v41 LYS 288 HB3 0.04 -0.03 0.05 -0.04 1.79 1.81 3i9v41 LYS 288 HG2 0.01 0.23 -0.00 -0.04 1.46 1.65 3i9v41 LYS 288 HG3 0.01 -0.06 -0.02 -0.04 1.46 1.35 3i9v41 LYS 288 HD2 0.01 -0.03 0.00 -0.04 1.69 1.64 3i9v41 LYS 288 HD3 0.01 -0.00 0.02 -0.04 1.68 1.67 3i9v41 LYS 288 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 3i9v41 LYS 288 HE3 0.01 0.01 -0.08 -0.04 2.99 2.89 3i9v41 ILE 289 H 0.01 0.51 0.05 -0.55 8.25 8.27 3i9v41 ILE 289 HA 0.01 0.01 0.52 -0.75 4.18 3.97 3i9v41 ILE 289 HB -0.12 0.03 0.15 -0.04 1.89 1.91 3i9v41 ILE 289 HG12 0.02 0.43 0.44 -0.04 1.49 2.33 3i9v41 ILE 289 HG13 -0.05 -0.14 0.05 -0.04 1.21 1.03 3i9v41 ILE 289 HG23 -0.65 -0.03 -0.06 -0.04 0.93 0.14 3i9v41 ILE 289 HD13 0.17 -0.07 -0.00 -0.04 0.88 0.93 3i9v41 ILE 290 H -0.03 0.56 -0.18 -0.55 8.25 8.05 3i9v41 ILE 290 HA -0.02 -0.02 0.30 -0.75 4.18 3.69 3i9v41 ILE 290 HB -0.02 0.18 0.08 -0.04 1.89 2.08 3i9v41 ILE 290 HG12 -0.04 0.17 -0.05 -0.04 1.49 1.53 3i9v41 ILE 290 HG13 -0.04 -0.04 -0.16 -0.04 1.21 0.94 3i9v41 ILE 290 HG23 -0.03 -0.01 -0.07 -0.04 0.93 0.78 3i9v41 ILE 290 HD13 -0.04 -0.04 -0.09 -0.04 0.88 0.68 3i9v41 LYS 291 H 0.01 0.42 -0.15 -0.55 8.42 8.14 3i9v41 LYS 291 HA 0.00 0.02 0.36 -0.75 4.32 3.95 3i9v41 LYS 291 HB2 0.02 0.08 0.17 -0.04 1.87 2.09 3i9v41 LYS 291 HB3 0.01 -0.05 0.03 -0.04 1.79 1.74 3i9v41 LYS 291 HG2 -0.01 -0.05 0.08 -0.04 1.46 1.44 3i9v41 LYS 291 HG3 -0.01 0.32 0.21 -0.04 1.46 1.95 3i9v41 LYS 291 HD2 0.00 -0.03 0.05 -0.04 1.69 1.67 3i9v41 LYS 291 HD3 -0.00 -0.05 0.03 -0.04 1.68 1.62 3i9v41 LYS 291 HE2 -0.01 0.06 0.07 -0.04 2.99 3.06 3i9v41 LYS 291 HE3 -0.01 0.02 0.07 -0.04 2.99 3.03 3i9v41 GLN 292 H 0.07 0.48 -0.27 -0.55 8.47 8.20 3i9v41 GLN 292 HA 0.05 0.00 0.43 -0.75 4.36 4.08 3i9v41 GLN 292 HB2 0.11 0.21 0.23 -0.04 2.15 2.66 3i9v41 GLN 292 HB3 0.32 0.07 0.19 -0.04 2.02 2.56 3i9v41 GLN 292 HG2 -0.05 0.02 0.03 -0.04 2.40 2.36 3i9v41 GLN 292 HG3 0.02 -0.03 0.10 -0.04 2.39 2.43 3i9v41 GLN 292 HE21 0.12 -0.16 0.19 -0.04 6.97 7.08 3i9v41 GLN 292 HE22 0.11 0.20 0.04 -0.04 7.69 8.00 3i9v41 ALA 293 H 0.18 0.62 -0.05 -0.55 8.40 8.61 3i9v41 ALA 293 HA 0.23 0.03 0.40 -0.75 4.34 4.26 3i9v41 ALA 293 HB3 0.17 0.00 0.05 -0.04 1.41 1.59 3i9v41 LEU 294 H 0.06 0.55 -0.20 -0.55 8.37 8.23 3i9v41 LEU 294 HA 0.05 -0.02 0.32 -0.75 4.35 3.94 3i9v41 LEU 294 HB2 0.01 0.28 0.13 -0.04 1.64 2.03 3i9v41 LEU 294 HB3 0.01 0.07 0.01 -0.04 1.64 1.69 3i9v41 LEU 294 HG 0.01 -0.06 0.02 -0.04 1.64 1.57 3i9v41 LEU 294 HD13 -0.06 -0.02 -0.08 -0.04 0.93 0.73 3i9v41 LEU 294 HD23 -0.01 -0.01 0.00 -0.04 0.89 0.83 3i9v41 GLU 295 H 0.03 0.30 -0.60 -0.55 8.60 7.79 3i9v41 GLU 295 HA 0.01 0.03 0.52 -0.75 4.29 4.10 3i9v41 GLU 295 HB2 0.00 0.16 0.19 -0.04 2.09 2.41 3i9v41 GLU 295 HB3 -0.00 -0.09 0.03 -0.04 1.99 1.89 3i9v41 GLU 295 HG2 -0.00 -0.09 0.03 -0.04 2.34 2.24 3i9v41 GLU 295 HG3 0.01 0.31 0.11 -0.04 2.34 2.74 3i9v41 ARG 296 H 0.02 0.29 -0.05 -0.55 8.46 8.17 3i9v41 ARG 296 HA 0.00 0.03 0.31 -0.75 4.34 3.93 3i9v41 ARG 296 HB2 0.00 -0.06 0.25 -0.04 1.90 2.06 3i9v41 ARG 296 HB3 -0.02 -0.05 0.12 -0.04 1.80 1.80 3i9v41 ARG 296 HG2 -0.02 0.11 0.16 -0.04 1.67 1.88 3i9v41 ARG 296 HG3 0.05 0.21 0.15 -0.04 1.67 2.03 3i9v41 ARG 296 HD2 0.02 -0.03 0.04 -0.04 3.22 3.20 3i9v41 ARG 296 HD3 -0.06 -0.05 0.06 -0.04 3.22 3.13 3i9v41 LEU 297 H 0.02 0.58 -0.89 -0.55 8.37 7.53 3i9v41 LEU 297 HA 0.03 0.09 0.85 -0.75 4.35 4.57 3i9v41 LEU 297 HB2 0.04 0.13 -0.09 -0.04 1.64 1.68 3i9v41 LEU 297 HB3 0.03 -0.03 0.13 -0.04 1.64 1.73 3i9v41 LEU 297 HG 0.05 -0.07 -0.09 -0.04 1.64 1.49 3i9v41 LEU 297 HD13 0.05 0.01 -0.02 -0.04 0.93 0.94 3i9v41 LEU 297 HD23 0.07 -0.01 -0.09 -0.04 0.89 0.81 3i9v41 GLU 298 H 0.02 0.22 0.08 -0.55 8.60 8.38 3i9v41 GLU 298 HA 0.01 0.18 0.88 -0.75 4.29 4.61 3i9v41 GLU 298 HB2 0.01 -0.02 -0.03 -0.04 2.09 2.01 3i9v41 GLU 298 HB3 0.01 -0.03 0.05 -0.04 1.99 1.98 3i9v41 GLU 298 HG2 0.01 0.19 0.01 -0.04 2.34 2.50 3i9v41 GLU 298 HG3 0.00 -0.06 0.08 -0.04 2.34 2.33 3i9v41 PRO 299 HA 0.02 0.04 0.51 -0.51 4.44 4.50 3i9v41 PRO 299 HB2 0.01 0.01 -0.03 -0.04 2.28 2.23 3i9v41 PRO 299 HB3 0.01 0.01 0.12 -0.04 2.02 2.12 3i9v41 PRO 299 HG2 0.01 0.01 0.11 -0.04 2.03 2.12 3i9v41 PRO 299 HG3 0.01 0.02 0.10 -0.04 2.03 2.12 3i9v41 PRO 299 HD2 0.01 0.11 0.29 -0.04 3.68 4.04 3i9v41 PRO 299 HD3 0.01 0.16 0.11 -0.04 3.65 3.88 3i9v41 GLY 300 H 0.02 0.24 0.22 -0.55 8.43 8.35 3i9v41 GLY 300 HA2 0.01 -0.00 0.33 -0.51 4.01 3.84 3i9v41 GLY 300 HA3 0.01 0.10 0.50 -0.51 4.01 4.11 3i9v41 PRO 301 HA 0.01 0.11 0.63 -0.51 4.44 4.67 3i9v41 PRO 301 HB2 0.00 0.06 0.10 -0.04 2.28 2.40 3i9v41 PRO 301 HB3 0.00 0.04 0.14 -0.04 2.02 2.17 3i9v41 PRO 301 HG2 0.01 -0.06 -0.03 -0.04 2.03 1.91 3i9v41 PRO 301 HG3 0.00 0.07 0.07 -0.04 2.03 2.14 3i9v41 PRO 301 HD2 0.01 0.12 0.25 -0.04 3.68 4.02 3i9v41 PRO 301 HD3 0.00 0.14 0.18 -0.04 3.65 3.93 3i9v41 VAL 302 H 0.00 0.07 0.17 -0.55 8.24 7.93 3i9v41 VAL 302 HA 0.01 0.11 0.72 -0.75 4.13 4.21 3i9v41 VAL 302 HB 0.00 0.01 -0.02 -0.04 2.12 2.06 3i9v41 VAL 302 HG13 0.03 0.00 -0.35 -0.04 0.97 0.61 3i9v41 VAL 302 HG23 -0.00 0.01 -0.25 -0.04 0.95 0.66 3i9v41 ARG 303 H -0.00 0.10 0.15 -0.55 8.46 8.16 3i9v41 ARG 303 HA -0.01 0.23 0.11 -0.75 4.34 3.90 3i9v41 ARG 303 HB2 -0.02 -0.03 -0.14 -0.04 1.90 1.67 3i9v41 ARG 303 HB3 -0.02 -0.05 -0.06 -0.04 1.80 1.63 3i9v41 ARG 303 HG2 -0.01 -0.16 -0.25 -0.04 1.67 1.21 3i9v41 ARG 303 HG3 -0.01 0.05 -0.22 -0.04 1.67 1.44 3i9v41 ARG 303 HD2 -0.03 0.37 -0.19 -0.04 3.22 3.33 3i9v41 ARG 303 HD3 -0.01 0.05 -0.12 -0.04 3.22 3.10 3i9v41 ASP 304 H -0.02 0.22 0.04 -0.55 8.40 8.09 3i9v41 ASP 304 HA -0.02 0.09 0.41 -0.75 4.63 4.36 3i9v41 ASP 304 HB2 -0.03 0.39 0.20 -0.04 2.71 3.23 3i9v41 ASP 304 HB3 -0.04 -0.04 0.20 -0.04 2.70 2.77 3i9v41 PRO 305 HA -0.02 0.13 0.27 -0.51 4.44 4.31 3i9v41 PRO 305 HB2 -0.02 -0.01 0.07 -0.04 2.28 2.28 3i9v41 PRO 305 HB3 -0.01 0.00 0.14 -0.04 2.02 2.11 3i9v41 PRO 305 HG2 -0.02 0.00 0.05 -0.04 2.03 2.03 3i9v41 PRO 305 HG3 -0.01 0.00 0.10 -0.04 2.03 2.08 3i9v41 PRO 305 HD2 -0.02 0.06 0.26 -0.04 3.68 3.94 3i9v41 PRO 305 HD3 -0.01 0.27 0.31 -0.04 3.65 4.19 3i9v41 ASN 306 H -0.03 0.02 -0.69 -0.55 8.53 7.28 3i9v41 ASN 306 HA -0.04 0.07 0.50 -0.75 4.76 4.54 3i9v41 ASN 306 HB2 -0.04 0.02 0.08 -0.04 2.88 2.90 3i9v41 ASN 306 HB3 -0.05 0.03 0.10 -0.04 2.79 2.83 3i9v41 ASN 306 HD21 -0.04 0.04 0.01 -0.04 7.03 6.99 3i9v41 ASN 306 HD22 -0.05 0.08 0.03 -0.04 7.74 7.76 3i9v41 PRO 307 HA -0.05 0.31 0.38 -0.51 4.44 4.57 3i9v41 PRO 307 HB2 -0.18 -0.03 0.04 -0.04 2.28 2.07 3i9v41 PRO 307 HB3 -0.41 -0.00 0.07 -0.04 2.02 1.64 3i9v41 PRO 307 HG2 -0.15 -0.03 0.10 -0.04 2.03 1.91 3i9v41 PRO 307 HG3 -0.13 0.09 0.13 -0.04 2.03 2.08 3i9v41 PRO 307 HD2 -0.05 0.02 0.25 -0.04 3.68 3.85 3i9v41 PRO 307 HD3 -0.06 0.30 0.37 -0.04 3.65 4.23 3i9v41 GLN 308 H 0.03 0.04 -0.21 -0.55 8.47 7.79 3i9v41 GLN 308 HA 0.23 0.10 0.38 -0.75 4.36 4.32 3i9v41 GLN 308 HB2 -0.00 -0.02 0.01 -0.04 2.15 2.10 3i9v41 GLN 308 HB3 0.03 0.05 -0.01 -0.04 2.02 2.05 3i9v41 GLN 308 HG2 0.09 -0.09 0.01 -0.04 2.40 2.37 3i9v41 GLN 308 HG3 0.03 0.02 0.01 -0.04 2.39 2.41 3i9v41 GLN 308 HE21 0.11 -0.00 -0.01 -0.04 6.97 7.02 3i9v41 GLN 308 HE22 0.11 -0.04 -0.01 -0.04 7.69 7.71 3i9v41 ILE 309 H -0.01 0.08 -0.36 -0.55 8.25 7.42 3i9v41 ILE 309 HA -0.26 0.14 0.59 -0.75 4.18 3.90 3i9v41 ILE 309 HB -0.11 0.05 -0.02 -0.04 1.89 1.78 3i9v41 ILE 309 HG12 -0.32 0.04 -0.23 -0.04 1.49 0.93 3i9v41 ILE 309 HG13 -0.13 -0.14 -0.13 -0.04 1.21 0.78 3i9v41 ILE 309 HG23 -0.36 -0.03 -0.14 -0.04 0.93 0.36 3i9v41 ILE 309 HD13 -0.17 0.02 -0.17 -0.04 0.88 0.52 3i9v41 THR 310 H 0.03 0.53 -0.05 -0.55 8.28 8.25 3i9v41 THR 310 HA 0.05 0.14 0.94 -0.75 4.39 4.77 3i9v41 THR 310 HB -0.02 0.15 -0.04 -0.04 4.32 4.36 3i9v41 THR 310 HG23 -0.04 -0.00 -0.34 -0.04 1.22 0.80 3i9v41 PRO 311 HA -0.33 0.09 0.29 -0.51 4.44 3.98 3i9v41 PRO 311 HB2 -0.20 0.05 -0.07 -0.04 2.28 2.03 3i9v41 PRO 311 HB3 -1.03 0.02 0.05 -0.04 2.02 1.02 3i9v41 PRO 311 HG2 -0.16 0.00 0.00 -0.04 2.03 1.83 3i9v41 PRO 311 HG3 -0.38 0.01 0.01 -0.04 2.03 1.63 3i9v41 PRO 311 HD2 -0.17 0.01 0.17 -0.04 3.68 3.65 3i9v41 PRO 311 HD3 -1.23 0.15 0.08 -0.04 3.65 2.62 3i9v41 PRO 312 HA -0.02 0.10 0.28 -0.51 4.44 4.28 3i9v41 PRO 312 HB2 0.01 0.02 -0.06 -0.04 2.28 2.21 3i9v41 PRO 312 HB3 -0.00 -0.04 0.11 -0.04 2.02 2.04 3i9v41 PRO 312 HG2 0.17 0.01 -0.03 -0.04 2.03 2.14 3i9v41 PRO 312 HG3 0.16 0.09 0.09 -0.04 2.03 2.33 3i9v41 PRO 312 HD2 -0.00 0.08 0.11 -0.04 3.68 3.83 3i9v41 PRO 312 HD3 0.07 0.18 0.10 -0.04 3.65 3.96 3i9v41 PRO 313 HA 0.07 0.11 0.52 -0.51 4.44 4.64 3i9v41 PRO 313 HB2 0.21 -0.15 0.00 -0.04 2.28 2.30 3i9v41 PRO 313 HB3 0.13 0.09 0.13 -0.04 2.02 2.33 3i9v41 PRO 313 HG2 -0.06 -0.09 0.08 -0.04 2.03 1.92 3i9v41 PRO 313 HG3 0.06 0.07 0.09 -0.04 2.03 2.20 3i9v41 PRO 313 HD2 -0.02 0.07 0.21 -0.04 3.68 3.90 3i9v41 PRO 313 HD3 0.01 0.21 0.13 -0.04 3.65 3.96 3i9v41 ARG 314 H 0.12 0.16 0.18 -0.55 8.46 8.36 3i9v41 ARG 314 HA 0.08 0.17 0.22 -0.75 4.34 4.05 3i9v41 ARG 314 HB2 0.09 0.06 0.16 -0.04 1.90 2.17 3i9v41 ARG 314 HB3 0.10 -0.04 0.07 -0.04 1.80 1.89 3i9v41 ARG 314 HG2 0.06 -0.01 -0.01 -0.04 1.67 1.67 3i9v41 ARG 314 HG3 0.06 -0.02 0.04 -0.04 1.67 1.71 3i9v41 ARG 314 HD2 0.12 0.06 0.00 -0.04 3.22 3.37 3i9v41 ARG 314 HD3 0.08 0.03 0.02 -0.04 3.22 3.31 3i9v41 HIS 315 H 0.27 0.06 -0.19 -0.55 8.41 8.00 3i9v41 HIS 315 HA 0.01 0.14 0.25 -0.75 4.63 4.28 3i9v41 HIS 315 HB2 0.01 0.04 0.06 -0.04 3.26 3.33 3i9v41 HIS 315 HB3 0.01 0.01 0.07 -0.04 3.20 3.25 3i9v41 HIS 315 HD2 0.01 0.01 -0.17 -0.04 6.97 6.77 3i9v41 HIS 315 HE1 0.00 0.04 -0.01 -0.04 7.75 7.74 3i9v41 LEU 316 H -0.50 0.32 -0.31 -0.55 8.37 7.34 3i9v41 LEU 316 HA -0.21 0.21 0.72 -0.75 4.35 4.31 3i9v41 LEU 316 HB2 -0.17 -0.12 0.19 -0.04 1.64 1.50 3i9v41 LEU 316 HB3 -0.45 0.04 0.01 -0.04 1.64 1.20 3i9v41 LEU 316 HG -0.50 -0.01 -0.01 -0.04 1.64 1.07 3i9v41 LEU 316 HD13 -0.11 0.02 -0.10 -0.04 0.93 0.70 3i9v41 LEU 316 HD23 -0.09 -0.00 0.03 -0.04 0.89 0.78 3i9v41 LEU 317 H -0.09 0.40 -0.42 -0.55 8.37 7.70 3i9v41 LEU 317 HA -0.04 0.01 0.42 -0.75 4.35 3.98 3i9v41 LEU 317 HB2 -0.06 0.30 0.09 -0.04 1.64 1.93 3i9v41 LEU 317 HB3 -0.07 0.01 -0.07 -0.04 1.64 1.46 3i9v41 LEU 317 HG -0.19 -0.04 0.04 -0.04 1.64 1.41 3i9v41 LEU 317 HD13 0.00 0.00 -0.14 -0.04 0.93 0.75 3i9v41 LEU 317 HD23 -0.38 0.02 -0.02 -0.04 0.89 0.47 3i9v41 GLU 318 H -0.05 0.09 -0.74 -0.55 8.60 7.35 3i9v41 GLU 318 HA -0.02 0.18 0.68 -0.75 4.29 4.39 3i9v41 GLU 318 HB2 -0.00 -0.01 0.13 -0.04 2.09 2.17 3i9v41 GLU 318 HB3 -0.01 0.01 -0.03 -0.04 1.99 1.92 3i9v41 GLU 318 HG2 -0.00 0.19 0.05 -0.04 2.34 2.54 3i9v41 GLU 318 HG3 0.00 -0.04 -0.07 -0.04 2.34 2.19 3i9v41 THR 319 H -0.03 0.25 -0.37 -0.55 8.28 7.57 3i9v41 THR 319 HA -0.01 0.15 0.80 -0.75 4.39 4.57 3i9v41 THR 319 HB -0.04 -0.07 -0.08 -0.04 4.32 4.10 3i9v41 THR 319 HG23 -0.01 -0.02 -0.12 -0.04 1.22 1.02 3i9v41 SER 320 H -0.04 0.58 0.26 -0.55 8.46 8.72 3i9v41 SER 320 HA -0.01 0.17 0.83 -0.75 4.49 4.73 3i9v41 SER 320 HB2 -0.03 0.10 0.12 -0.04 3.95 4.10 3i9v41 SER 320 HB3 -0.03 0.11 0.22 -0.04 3.93 4.19 3i9v41 MET 321 H 0.01 0.25 0.23 -0.55 8.47 8.41 3i9v41 MET 321 HA 0.02 0.13 0.48 -0.75 4.52 4.40 3i9v41 MET 321 HB2 0.01 0.08 0.14 -0.04 2.15 2.33 3i9v41 MET 321 HB3 0.02 -0.04 0.14 -0.04 2.03 2.11 3i9v41 MET 321 HG2 0.01 0.03 -0.01 -0.04 2.63 2.62 3i9v41 MET 321 HG3 0.02 -0.01 -0.18 -0.04 2.56 2.35 3i9v41 MET 321 HE3 -0.00 0.01 0.01 -0.04 2.10 2.08 3i9v41 GLU 322 H 0.03 0.07 -0.07 -0.55 8.60 8.08 3i9v41 GLU 322 HA 0.15 0.11 0.36 -0.75 4.29 4.16 3i9v41 GLU 322 HB2 0.00 -0.05 0.09 -0.04 2.09 2.08 3i9v41 GLU 322 HB3 0.03 0.09 -0.00 -0.04 1.99 2.07 3i9v41 GLU 322 HG2 0.03 0.07 0.03 -0.04 2.34 2.43 3i9v41 GLU 322 HG3 0.08 0.04 0.03 -0.04 2.34 2.45 3i9v41 ALA 323 H 0.03 -0.03 -0.31 -0.55 8.40 7.54 3i9v41 ALA 323 HA 0.07 0.08 0.35 -0.75 4.34 4.08 3i9v41 ALA 323 HB3 0.00 0.05 0.04 -0.04 1.41 1.46 3i9v41 VAL 324 H 0.06 0.48 -0.09 -0.55 8.24 8.14 3i9v41 VAL 324 HA 0.11 0.02 0.39 -0.75 4.13 3.90 3i9v41 VAL 324 HB 0.05 0.05 0.18 -0.04 2.12 2.36 3i9v41 VAL 324 HG13 0.06 -0.01 -0.10 -0.04 0.97 0.88 3i9v41 VAL 324 HG23 0.01 0.04 0.08 -0.04 0.95 1.04 3i9v41 ILE 325 H 0.10 0.63 -0.02 -0.55 8.25 8.41 3i9v41 ILE 325 HA 0.06 -0.01 0.51 -0.75 4.18 3.98 3i9v41 ILE 325 HB 0.12 0.04 0.17 -0.04 1.89 2.18 3i9v41 ILE 325 HG12 -0.02 -0.04 0.06 -0.04 1.49 1.44 3i9v41 ILE 325 HG13 0.03 0.17 0.07 -0.04 1.21 1.44 3i9v41 ILE 325 HG23 -0.07 -0.00 -0.10 -0.04 0.93 0.71 3i9v41 ILE 325 HD13 -0.00 -0.02 -0.01 -0.04 0.88 0.80 3i9v41 TYR 326 H 0.35 0.76 -0.03 -0.55 8.29 8.83 3i9v41 TYR 326 HA 0.10 0.01 0.49 -0.75 4.56 4.40 3i9v41 TYR 326 HB2 0.06 0.05 0.21 -0.04 3.06 3.34 3i9v41 TYR 326 HB3 0.05 0.05 0.02 -0.04 2.98 3.07 3i9v41 TYR 326 HD2 0.05 0.23 0.01 -0.04 7.15 7.40 3i9v41 TYR 326 HE2 0.02 -0.05 -0.11 -0.04 6.85 6.67 3i9v41 HIS 327 H 0.32 0.92 0.09 -0.55 8.41 9.19 3i9v41 HIS 327 HA 0.11 0.01 0.36 -0.75 4.63 4.36 3i9v41 HIS 327 HB2 0.12 -0.02 0.05 -0.04 3.26 3.36 3i9v41 HIS 327 HB3 0.16 0.01 0.14 -0.04 3.20 3.47 3i9v41 HIS 327 HD2 0.19 0.04 -0.06 -0.04 6.97 7.10 3i9v41 HIS 327 HE1 0.02 -0.02 -0.08 -0.04 7.75 7.63 3i9v41 PHE 328 H 0.44 0.80 -0.01 -0.55 8.34 9.02 3i9v41 PHE 328 HA 0.29 -0.03 0.36 -0.75 4.62 4.49 3i9v41 PHE 328 HB2 0.14 -0.04 0.11 -0.04 3.15 3.33 3i9v41 PHE 328 HB3 0.09 0.09 0.18 -0.04 3.06 3.38 3i9v41 PHE 328 HD2 0.06 0.04 -0.25 -0.04 7.28 7.09 3i9v41 PHE 328 HE2 0.03 -0.03 -0.03 -0.04 7.38 7.32 3i9v41 PHE 328 HZ 0.03 -0.03 -0.02 -0.04 7.32 7.26 3i9v41 LYS 329 H 0.27 0.61 -0.15 -0.55 8.42 8.60 3i9v41 LYS 329 HA 0.24 -0.09 0.38 -0.75 4.32 4.10 3i9v41 LYS 329 HB2 0.07 0.16 0.20 -0.04 1.87 2.25 3i9v41 LYS 329 HB3 0.00 0.08 0.11 -0.04 1.79 1.94 3i9v41 LYS 329 HG2 -0.05 -0.08 0.03 -0.04 1.46 1.32 3i9v41 LYS 329 HG3 0.02 0.13 0.06 -0.04 1.46 1.63 3i9v41 LYS 329 HD2 0.21 -0.03 0.08 -0.04 1.69 1.90 3i9v41 LYS 329 HD3 0.07 -0.06 0.03 -0.04 1.68 1.67 3i9v41 LYS 329 HE2 -0.00 -0.00 0.02 -0.04 2.99 2.97 3i9v41 LYS 329 HE3 0.05 0.03 0.07 -0.04 2.99 3.11 3i9v41 HIS 330 H 0.13 0.53 -0.19 -0.55 8.41 8.34 3i9v41 HIS 330 HA -0.07 0.06 0.23 -0.75 4.63 4.09 3i9v41 HIS 330 HB2 -0.07 0.16 0.09 -0.04 3.26 3.40 3i9v41 HIS 330 HB3 -0.38 0.02 0.13 -0.04 3.20 2.92 3i9v41 HIS 330 HD2 0.10 0.10 -0.30 -0.04 6.97 6.83 3i9v41 HIS 330 HE1 -0.22 -0.10 -0.03 -0.04 7.75 7.36 3i9v41 TYR 331 H 0.01 0.44 -0.17 -0.55 8.29 8.01 3i9v41 TYR 331 HA -0.08 0.03 0.46 -0.75 4.56 4.21 3i9v41 TYR 331 HB2 -0.20 0.12 0.07 -0.04 3.06 3.01 3i9v41 TYR 331 HB3 -0.12 -0.08 0.06 -0.04 2.98 2.80 3i9v41 TYR 331 HD2 -0.51 0.06 0.02 -0.04 7.15 6.68 3i9v41 TYR 331 HE2 -0.19 -0.03 -0.02 -0.04 6.85 6.57 3i9v41 THR 332 H -0.06 0.39 -0.39 -0.55 8.28 7.68 3i9v41 THR 332 HA -0.08 0.07 0.84 -0.75 4.39 4.46 3i9v41 THR 332 HB -0.05 -0.10 0.06 -0.04 4.32 4.19 3i9v41 THR 332 HG23 -0.46 -0.01 0.00 -0.04 1.22 0.72 3i9v41 GLU 333 H -0.01 0.16 0.18 -0.55 8.60 8.39 3i9v41 GLU 333 HA -0.04 -0.01 0.78 -0.75 4.29 4.26 3i9v41 GLU 333 HB2 0.03 -0.08 0.10 -0.04 2.09 2.10 3i9v41 GLU 333 HB3 0.04 0.01 0.22 -0.04 1.99 2.23 3i9v41 GLU 333 HG2 0.15 0.20 -0.28 -0.04 2.34 2.36 3i9v41 GLU 333 HG3 0.10 -0.12 -0.00 -0.04 2.34 2.27 3i9v41 GLY 334 H -0.14 -0.03 0.10 -0.55 8.43 7.82 3i9v41 GLY 334 HA2 -0.40 0.37 0.35 -0.51 4.01 3.81 3i9v41 GLY 334 HA3 -0.38 -0.16 0.51 -0.51 4.01 3.47 3i9v41 PHE 335 H -0.92 -0.01 0.21 -0.55 8.34 7.06 3i9v41 PHE 335 HA 0.13 0.21 0.83 -0.75 4.62 5.04 3i9v41 PHE 335 HB2 0.03 -0.05 0.03 -0.04 3.15 3.12 3i9v41 PHE 335 HB3 -0.01 0.19 0.08 -0.04 3.06 3.28 3i9v41 PHE 335 HD2 -0.04 0.11 -0.21 -0.04 7.28 7.10 3i9v41 PHE 335 HE2 -0.10 0.03 0.00 -0.04 7.38 7.26 3i9v41 PHE 335 HZ -0.04 -0.10 -0.04 -0.04 7.32 7.10 3i9v41 HIS 336 H 0.34 0.15 0.01 -0.55 8.41 8.36 3i9v41 HIS 336 HA 0.17 0.47 0.93 -0.75 4.63 5.45 3i9v41 HIS 336 HB2 0.05 -0.08 0.02 -0.04 3.26 3.21 3i9v41 HIS 336 HB3 0.06 0.08 -0.31 -0.04 3.20 2.98 3i9v41 HIS 336 HD2 0.03 0.29 -0.00 -0.04 6.97 7.24 3i9v41 HIS 336 HE1 -0.00 0.03 -0.24 -0.04 7.75 7.50 3i9v41 PRO 337 HA -0.07 0.13 0.50 -0.51 4.44 4.49 3i9v41 PRO 337 HB2 -0.12 -0.01 -0.10 -0.04 2.28 2.01 3i9v41 PRO 337 HB3 -0.21 0.03 -0.06 -0.04 2.02 1.74 3i9v41 PRO 337 HG2 -0.86 -0.03 -0.04 -0.04 2.03 1.05 3i9v41 PRO 337 HG3 -0.26 0.00 -0.11 -0.04 2.03 1.63 3i9v41 PRO 337 HD2 0.15 0.06 0.16 -0.04 3.68 4.01 3i9v41 PRO 337 HD3 0.25 0.37 0.06 -0.04 3.65 4.28 3i9v41 PRO 338 HA 0.00 0.02 0.30 -0.51 4.44 4.26 3i9v41 PRO 338 HB2 -0.03 0.09 -0.08 -0.04 2.28 2.21 3i9v41 PRO 338 HB3 -0.02 -0.03 0.09 -0.04 2.02 2.01 3i9v41 PRO 338 HG2 -0.05 0.15 0.12 -0.04 2.03 2.21 3i9v41 PRO 338 HG3 -0.04 0.01 0.10 -0.04 2.03 2.06 3i9v41 PRO 338 HD2 -0.08 0.21 0.03 -0.04 3.68 3.80 3i9v41 PRO 338 HD3 -0.08 0.06 0.20 -0.04 3.65 3.79 3i9v41 LYS 339 H -0.01 0.08 0.08 -0.55 8.42 8.01 3i9v41 LYS 339 HA -0.02 0.11 0.34 -0.75 4.32 4.00 3i9v41 LYS 339 HB2 -0.02 -0.05 0.14 -0.04 1.87 1.90 3i9v41 LYS 339 HB3 -0.03 0.01 -0.00 -0.04 1.79 1.72 3i9v41 LYS 339 HG2 -0.04 0.01 -0.06 -0.04 1.46 1.33 3i9v41 LYS 339 HG3 -0.01 -0.01 -0.23 -0.04 1.46 1.17 3i9v41 LYS 339 HD2 -0.03 -0.04 0.01 -0.04 1.69 1.59 3i9v41 LYS 339 HD3 -0.02 0.05 -0.01 -0.04 1.68 1.66 3i9v41 LYS 339 HE2 -0.00 0.04 0.01 -0.04 2.99 2.99 3i9v41 LYS 339 HE3 -0.01 -0.03 0.04 -0.04 2.99 2.95 3i9v41 GLY 340 H -0.03 0.43 0.38 -0.55 8.43 8.66 3i9v41 GLY 340 HA2 -0.03 -0.03 0.40 -0.51 4.01 3.84 3i9v41 GLY 340 HA3 -0.04 0.13 0.39 -0.51 4.01 3.99 3i9v41 GLU 341 H -0.05 0.19 0.21 -0.55 8.60 8.40 3i9v41 GLU 341 HA -0.13 0.37 1.17 -0.75 4.29 4.95 3i9v41 GLU 341 HB2 -0.06 -0.03 0.08 -0.04 2.09 2.03 3i9v41 GLU 341 HB3 -0.30 0.02 -0.01 -0.04 1.99 1.66 3i9v41 GLU 341 HG2 -0.01 0.00 -0.03 -0.04 2.34 2.26 3i9v41 GLU 341 HG3 -0.02 -0.11 -0.32 -0.04 2.34 1.85 3i9v41 VAL 342 H -0.27 0.43 0.29 -0.55 8.24 8.14 3i9v41 VAL 342 HA -0.08 0.16 0.92 -0.75 4.13 4.37 3i9v41 VAL 342 HB -0.09 0.02 -0.21 -0.04 2.12 1.80 3i9v41 VAL 342 HG13 -0.09 0.09 -0.05 -0.04 0.97 0.89 3i9v41 VAL 342 HG23 -0.05 -0.01 0.04 -0.04 0.95 0.88 3i9v41 TYR 343 H 0.04 0.27 0.12 -0.55 8.29 8.17 3i9v41 TYR 343 HA 0.01 0.31 0.69 -0.75 4.56 4.82 3i9v41 TYR 343 HB2 0.10 0.03 -0.14 -0.04 3.06 3.01 3i9v41 TYR 343 HB3 0.04 -0.03 0.03 -0.04 2.98 2.98 3i9v41 TYR 343 HD2 0.15 0.00 -0.29 -0.04 7.15 6.97 3i9v41 TYR 343 HE2 0.07 0.00 -0.19 -0.04 6.85 6.69 3i9v41 VAL 344 H -0.30 0.26 0.16 -0.55 8.24 7.81 3i9v41 VAL 344 HA -0.03 0.25 0.81 -0.75 4.13 4.41 3i9v41 VAL 344 HB -0.04 0.07 0.06 -0.04 2.12 2.18 3i9v41 VAL 344 HG13 -0.06 0.01 -0.15 -0.04 0.97 0.74 3i9v41 VAL 344 HG23 -0.14 -0.03 -0.04 -0.04 0.95 0.70 3i9v41 PRO 345 HA -0.08 0.14 0.75 -0.51 4.44 4.75 3i9v41 PRO 345 HB2 0.30 -0.03 -0.03 -0.04 2.28 2.48 3i9v41 PRO 345 HB3 0.45 0.00 0.01 -0.04 2.02 2.45 3i9v41 PRO 345 HG2 0.22 0.07 0.15 -0.04 2.03 2.44 3i9v41 PRO 345 HG3 0.11 0.04 0.04 -0.04 2.03 2.18 3i9v41 PRO 345 HD2 0.06 0.15 0.23 -0.04 3.68 4.08 3i9v41 PRO 345 HD3 0.28 0.16 -0.06 -0.04 3.65 3.98 3i9v41 THR 346 H 0.01 0.76 0.49 -0.55 8.28 8.99 3i9v41 THR 346 HA 0.33 0.17 0.85 -0.75 4.39 4.98 3i9v41 THR 346 HB -0.45 0.07 -0.12 -0.04 4.32 3.78 3i9v41 THR 346 HG23 -0.11 0.06 -0.06 -0.04 1.22 1.06 3i9v41 GLU 347 H 0.42 0.17 0.13 -0.55 8.60 8.78 3i9v41 GLU 347 HA 0.09 0.28 1.06 -0.75 4.29 4.97 3i9v41 GLU 347 HB2 0.10 -0.21 0.03 -0.04 2.09 1.97 3i9v41 GLU 347 HB3 0.24 -0.00 0.15 -0.04 1.99 2.35 3i9v41 GLU 347 HG2 0.06 -0.02 -0.03 -0.04 2.34 2.31 3i9v41 GLU 347 HG3 0.07 0.25 -0.25 -0.04 2.34 2.37 3i9v41 SER 348 H 0.06 0.54 0.23 -0.55 8.46 8.75 3i9v41 SER 348 HA 0.29 0.21 0.84 -0.75 4.49 5.08 3i9v41 SER 348 HB2 0.22 -0.07 0.16 -0.04 3.95 4.22 3i9v41 SER 348 HB3 0.01 0.06 -0.03 -0.04 3.93 3.93 3i9v41 ALA 349 H 0.21 0.14 0.14 -0.55 8.40 8.35 3i9v41 ALA 349 HA -0.04 0.18 0.52 -0.75 4.34 4.24 3i9v41 ALA 349 HB3 -0.16 0.00 0.16 -0.04 1.41 1.38 3i9v41 ARG 350 H 0.04 -0.18 -0.94 -0.55 8.46 6.83 3i9v41 ARG 350 HA -0.02 0.38 0.66 -0.75 4.34 4.60 3i9v41 ARG 350 HB2 0.02 -0.18 -0.17 -0.04 1.90 1.54 3i9v41 ARG 350 HB3 0.01 -0.06 -0.00 -0.04 1.80 1.71 3i9v41 ARG 350 HG2 -0.02 0.42 0.12 -0.04 1.67 2.15 3i9v41 ARG 350 HG3 -0.01 0.20 -0.23 -0.04 1.67 1.58 3i9v41 ARG 350 HD2 0.01 -0.16 -0.08 -0.04 3.22 2.94 3i9v41 ARG 350 HD3 -0.00 -0.13 0.01 -0.04 3.22 3.05 3i9v41 GLY 351 H 0.02 0.09 -0.10 -0.55 8.43 7.90 3i9v41 GLY 351 HA2 0.00 0.11 0.14 -0.51 4.01 3.75 3i9v41 GLY 351 HA3 0.02 0.18 0.59 -0.51 4.01 4.29 3i9v41 GLU 352 H 0.07 0.10 0.15 -0.55 8.60 8.37 3i9v41 GLU 352 HA 0.07 0.18 0.56 -0.75 4.29 4.34 3i9v41 GLU 352 HB2 0.17 -0.04 0.14 -0.04 2.09 2.32 3i9v41 GLU 352 HB3 0.14 0.02 0.07 -0.04 1.99 2.18 3i9v41 GLU 352 HG2 0.20 0.03 -0.11 -0.04 2.34 2.41 3i9v41 GLU 352 HG3 0.20 0.01 0.05 -0.04 2.34 2.56 3i9v41 LEU 353 H 0.05 0.43 0.41 -0.55 8.37 8.71 3i9v41 LEU 353 HA -0.05 0.39 0.84 -0.75 4.35 4.78 3i9v41 LEU 353 HB2 -0.10 0.00 -0.20 -0.04 1.64 1.31 3i9v41 LEU 353 HB3 -0.08 -0.05 -0.03 -0.04 1.64 1.44 3i9v41 LEU 353 HG -0.20 0.01 -0.22 -0.04 1.64 1.19 3i9v41 LEU 353 HD13 -0.36 0.03 0.04 -0.04 0.93 0.60 3i9v41 LEU 353 HD23 -0.45 -0.04 -0.27 -0.04 0.89 0.10 3i9v41 GLY 354 H -0.14 0.22 0.22 -0.55 8.43 8.18 3i9v41 GLY 354 HA2 -0.11 0.06 0.49 -0.51 4.01 3.93 3i9v41 GLY 354 HA3 -0.37 0.14 0.52 -0.51 4.01 3.79 3i9v41 TYR 355 H 0.12 0.27 0.16 -0.55 8.29 8.30 3i9v41 TYR 355 HA 0.11 0.18 0.81 -0.75 4.56 4.91 3i9v41 TYR 355 HB2 0.06 0.04 0.10 -0.04 3.06 3.22 3i9v41 TYR 355 HB3 0.16 0.04 -0.11 -0.04 2.98 3.03 3i9v41 TYR 355 HD2 0.08 0.01 -0.25 -0.04 7.15 6.95 3i9v41 TYR 355 HE2 0.07 0.01 -0.07 -0.04 6.85 6.81 3i9v41 TYR 356 H 0.32 0.80 0.30 -0.55 8.29 9.16 3i9v41 TYR 356 HA 0.24 0.37 1.07 -0.75 4.56 5.49 3i9v41 TYR 356 HB2 0.30 -0.00 0.06 -0.04 3.06 3.37 3i9v41 TYR 356 HB3 0.14 -0.12 0.30 -0.04 2.98 3.26 3i9v41 TYR 356 HD2 0.11 -0.06 -0.08 -0.04 7.15 7.08 3i9v41 TYR 356 HE2 0.03 -0.02 -0.11 -0.04 6.85 6.72 3i9v41 ILE 357 H -0.04 0.42 0.14 -0.55 8.25 8.22 3i9v41 ILE 357 HA 0.15 0.31 0.82 -0.75 4.18 4.70 3i9v41 ILE 357 HB 0.00 0.02 0.08 -0.04 1.89 1.95 3i9v41 ILE 357 HG12 0.25 0.03 -0.12 -0.04 1.49 1.61 3i9v41 ILE 357 HG13 0.21 -0.15 -0.34 -0.04 1.21 0.89 3i9v41 ILE 357 HG23 0.15 0.00 -0.23 -0.04 0.93 0.82 3i9v41 ILE 357 HD13 -0.02 -0.01 -0.11 -0.04 0.88 0.70 3i9v41 VAL 358 H 0.14 0.48 0.34 -0.55 8.24 8.65 3i9v41 VAL 358 HA 0.00 0.20 1.00 -0.75 4.13 4.58 3i9v41 VAL 358 HB 0.24 -0.10 0.21 -0.04 2.12 2.43 3i9v41 VAL 358 HG13 0.09 -0.01 -0.23 -0.04 0.97 0.78 3i9v41 VAL 358 HG23 0.21 0.01 -0.04 -0.04 0.95 1.08 3i9v41 SER 359 H 0.01 0.83 0.38 -0.55 8.46 9.13 3i9v41 SER 359 HA 0.14 -0.03 0.91 -0.75 4.49 4.76 3i9v41 SER 359 HB2 0.04 -0.02 -0.00 -0.04 3.95 3.93 3i9v41 SER 359 HB3 0.00 0.23 0.19 -0.04 3.93 4.31 3i9v41 ASP 360 H 0.08 0.14 0.21 -0.55 8.40 8.27 3i9v41 ASP 360 HA -0.06 0.19 0.90 -0.75 4.63 4.91 3i9v41 ASP 360 HB2 -0.09 0.01 0.17 -0.04 2.71 2.76 3i9v41 ASP 360 HB3 -0.20 0.01 -0.01 -0.04 2.70 2.46 3i9v41 GLY 361 H 0.04 0.12 -0.12 -0.55 8.43 7.93 3i9v41 GLY 361 HA2 0.07 0.45 0.24 -0.51 4.01 4.26 3i9v41 GLY 361 HA3 0.05 0.03 0.55 -0.51 4.01 4.14 3i9v41 GLY 362 H 0.04 -0.04 0.01 -0.55 8.43 7.89 3i9v41 GLY 362 HA2 -0.19 0.23 0.79 -0.51 4.01 4.33 3i9v41 GLY 362 HA3 -0.09 -0.00 0.25 -0.51 4.01 3.66 3i9v41 SER 363 H -0.31 0.12 0.11 -0.55 8.46 7.84 3i9v41 SER 363 HA -0.33 0.31 0.40 -0.75 4.49 4.11 3i9v41 SER 363 HB2 -0.18 0.01 0.05 -0.04 3.95 3.79 3i9v41 SER 363 HB3 -0.15 0.02 -0.02 -0.04 3.93 3.73 3i9v41 MET 364 H -0.18 0.02 -0.20 -0.55 8.47 7.56 3i9v41 MET 364 HA -0.57 0.19 0.80 -0.75 4.52 4.19 3i9v41 MET 364 HB2 -0.20 -0.05 -0.16 -0.04 2.15 1.70 3i9v41 MET 364 HB3 -0.28 0.16 -0.09 -0.04 2.03 1.77 3i9v41 MET 364 HG2 -0.22 0.01 -0.79 -0.04 2.63 1.59 3i9v41 MET 364 HG3 -0.18 -0.23 -0.51 -0.04 2.56 1.59 3i9v41 MET 364 HE3 -0.12 0.02 -0.08 -0.04 2.10 1.88 3i9v41 PRO 365 HA 0.07 -0.05 0.46 -0.51 4.44 4.41 3i9v41 PRO 365 HB2 0.02 -0.00 -0.21 -0.04 2.28 2.05 3i9v41 PRO 365 HB3 0.12 -0.02 -0.02 -0.04 2.02 2.06 3i9v41 PRO 365 HG2 -0.21 0.26 0.05 -0.04 2.03 2.10 3i9v41 PRO 365 HG3 -0.19 -0.04 -0.02 -0.04 2.03 1.74 3i9v41 PRO 365 HD2 -0.50 0.48 0.23 -0.04 3.68 3.85 3i9v41 PRO 365 HD3 -1.44 0.01 0.02 -0.04 3.65 2.20 3i9v41 TYR 366 H 0.17 0.15 0.37 -0.55 8.29 8.43 3i9v41 TYR 366 HA -0.07 0.10 0.46 -0.75 4.56 4.30 3i9v41 TYR 366 HB2 -0.01 -0.13 0.11 -0.04 3.06 2.99 3i9v41 TYR 366 HB3 0.02 0.14 0.01 -0.04 2.98 3.11 3i9v41 TYR 366 HD2 -0.00 -0.00 -0.10 -0.04 7.15 7.00 3i9v41 TYR 366 HE2 0.00 -0.03 -0.01 -0.04 6.85 6.77 3i9v41 ARG 367 H 0.16 0.31 0.15 -0.55 8.46 8.52 3i9v41 ARG 367 HA -0.01 0.18 0.41 -0.75 4.34 4.16 3i9v41 ARG 367 HB2 0.11 0.11 0.08 -0.04 1.90 2.15 3i9v41 ARG 367 HB3 0.21 -0.10 0.10 -0.04 1.80 1.98 3i9v41 ARG 367 HG2 0.17 -0.05 -0.17 -0.04 1.67 1.58 3i9v41 ARG 367 HG3 0.07 0.00 0.05 -0.04 1.67 1.75 3i9v41 ARG 367 HD2 0.07 0.04 0.02 -0.04 3.22 3.31 3i9v41 ARG 367 HD3 0.14 -0.02 -0.02 -0.04 3.22 3.28 3i9v41 VAL 368 H 0.07 0.29 0.02 -0.55 8.24 8.07 3i9v41 VAL 368 HA 0.21 0.23 0.86 -0.75 4.13 4.68 3i9v41 VAL 368 HB 0.09 0.02 0.05 -0.04 2.12 2.24 3i9v41 VAL 368 HG13 0.28 -0.03 -0.21 -0.04 0.97 0.98 3i9v41 VAL 368 HG23 0.09 0.02 -0.34 -0.04 0.95 0.68 3i9v41 LYS 369 H 0.25 0.52 0.09 -0.55 8.42 8.73 3i9v41 LYS 369 HA 0.07 0.10 0.85 -0.75 4.32 4.58 3i9v41 LYS 369 HB2 0.08 0.01 0.09 -0.04 1.87 2.01 3i9v41 LYS 369 HB3 0.13 -0.02 0.17 -0.04 1.79 2.03 3i9v41 LYS 369 HG2 -0.01 0.01 0.03 -0.04 1.46 1.44 3i9v41 LYS 369 HG3 -0.06 0.00 -0.02 -0.04 1.46 1.34 3i9v41 LYS 369 HD2 0.02 -0.05 -0.30 -0.04 1.69 1.33 3i9v41 LYS 369 HD3 -0.01 0.08 -0.49 -0.04 1.68 1.22 3i9v41 LYS 369 HE2 -0.06 -0.01 -0.06 -0.04 2.99 2.82 3i9v41 LYS 369 HE3 -0.03 -0.04 -0.13 -0.04 2.99 2.75 3i9v41 VAL 370 H -0.02 0.20 0.16 -0.55 8.24 8.04 3i9v41 VAL 370 HA -0.39 0.12 0.71 -0.75 4.13 3.83 3i9v41 VAL 370 HB -0.14 0.01 0.07 -0.04 2.12 2.01 3i9v41 VAL 370 HG13 -0.61 -0.00 -0.20 -0.04 0.97 0.12 3i9v41 VAL 370 HG23 0.03 0.03 -0.09 -0.04 0.95 0.87 3i9v41 ARG 371 H -0.11 0.61 0.23 -0.55 8.46 8.63 3i9v41 ARG 371 HA 0.01 0.09 0.63 -0.75 4.34 4.32 3i9v41 ARG 371 HB2 0.20 0.07 0.05 -0.04 1.90 2.18 3i9v41 ARG 371 HB3 0.07 -0.21 0.17 -0.04 1.80 1.79 3i9v41 ARG 371 HG2 0.07 0.06 -0.51 -0.04 1.67 1.25 3i9v41 ARG 371 HG3 0.10 0.01 -0.10 -0.04 1.67 1.64 3i9v41 ARG 371 HD2 0.17 0.00 -0.17 -0.04 3.22 3.18 3i9v41 ARG 371 HD3 0.14 -0.15 -0.53 -0.04 3.22 2.65 3i9v41 ALA 372 H -0.01 0.28 0.18 -0.55 8.40 8.30 3i9v41 ALA 372 HA 0.03 0.09 0.54 -0.75 4.34 4.25 3i9v41 ALA 372 HB3 0.05 -0.00 0.02 -0.04 1.41 1.43 3i9v41 PRO 373 HA 0.06 0.09 0.54 -0.51 4.44 4.62 3i9v41 PRO 373 HB2 0.02 0.36 -0.26 -0.04 2.28 2.36 3i9v41 PRO 373 HB3 0.02 0.08 -0.40 -0.04 2.02 1.68 3i9v41 PRO 373 HG2 0.02 -0.15 0.04 -0.04 2.03 1.90 3i9v41 PRO 373 HG3 -0.02 -0.05 -0.14 -0.04 2.03 1.78 3i9v41 PRO 373 HD2 0.02 -0.03 0.28 -0.04 3.68 3.90 3i9v41 PRO 373 HD3 -0.03 0.37 0.27 -0.04 3.65 4.23 3i9v41 SER 374 H 0.06 0.07 -0.16 -0.55 8.46 7.88 3i9v41 SER 374 HA 0.04 0.24 0.37 -0.75 4.49 4.39 3i9v41 SER 374 HB2 0.07 -0.09 -0.01 -0.04 3.95 3.87 3i9v41 SER 374 HB3 0.05 -0.01 0.15 -0.04 3.93 4.08 3i9v41 PHE 375 H 0.21 0.19 -0.59 -0.55 8.34 7.60 3i9v41 PHE 375 HA 0.02 0.08 0.57 -0.75 4.62 4.54 3i9v41 PHE 375 HB2 0.02 0.06 0.09 -0.04 3.15 3.28 3i9v41 PHE 375 HB3 0.02 0.08 0.14 -0.04 3.06 3.26 3i9v41 PHE 375 HD2 0.02 0.01 -0.02 -0.04 7.28 7.25 3i9v41 PHE 375 HE2 0.01 -0.02 -0.02 -0.04 7.38 7.31 3i9v41 PHE 375 HZ 0.00 -0.01 -0.00 -0.04 7.32 7.26 3i9v41 VAL 376 H 0.17 0.33 0.06 -0.55 8.24 8.25 3i9v41 VAL 376 HA -0.09 0.08 0.63 -0.75 4.13 3.99 3i9v41 VAL 376 HB 0.03 0.14 0.11 -0.04 2.12 2.36 3i9v41 VAL 376 HG13 0.13 -0.02 0.06 -0.04 0.97 1.10 3i9v41 VAL 376 HG23 0.09 0.05 0.20 -0.04 0.95 1.24 3i9v41 ASN 377 H 0.03 0.43 -0.12 -0.55 8.53 8.32 3i9v41 ASN 377 HA -0.00 -0.05 0.30 -0.75 4.76 4.25 3i9v41 ASN 377 HB2 0.02 -0.06 0.09 -0.04 2.88 2.88 3i9v41 ASN 377 HB3 0.00 0.08 -0.05 -0.04 2.79 2.78 3i9v41 ASN 377 HD21 0.02 -0.22 0.05 -0.04 7.03 6.84 3i9v41 ASN 377 HD22 0.03 -0.01 0.17 -0.04 7.74 7.89 3i9v41 LEU 378 H -0.07 0.25 -0.82 -0.55 8.37 7.18 3i9v41 LEU 378 HA -0.02 0.15 0.41 -0.75 4.35 4.13 3i9v41 LEU 378 HB2 -0.04 0.15 0.04 -0.04 1.64 1.75 3i9v41 LEU 378 HB3 -0.11 0.04 -0.06 -0.04 1.64 1.47 3i9v41 LEU 378 HG -0.02 -0.03 0.04 -0.04 1.64 1.59 3i9v41 LEU 378 HD13 0.02 0.01 -0.08 -0.04 0.93 0.83 3i9v41 LEU 378 HD23 0.00 -0.02 -0.06 -0.04 0.89 0.77 3i9v41 GLN 379 H -0.10 0.57 -0.11 -0.55 8.47 8.29 3i9v41 GLN 379 HA -0.08 0.05 0.61 -0.75 4.36 4.19 3i9v41 GLN 379 HB2 -0.06 0.07 0.08 -0.04 2.15 2.21 3i9v41 GLN 379 HB3 -0.07 -0.07 0.18 -0.04 2.02 2.02 3i9v41 GLN 379 HG2 -0.22 -0.05 0.10 -0.04 2.40 2.19 3i9v41 GLN 379 HG3 -0.14 0.31 0.29 -0.04 2.39 2.80 3i9v41 GLN 379 HE21 -0.05 -0.03 0.05 -0.04 6.97 6.89 3i9v41 GLN 379 HE22 -0.08 -0.03 0.08 -0.04 7.69 7.61 3i9v41 SER 380 H -0.03 0.27 -0.49 -0.55 8.46 7.66 3i9v41 SER 380 HA -0.00 0.03 0.66 -0.75 4.49 4.43 3i9v41 SER 380 HB2 -0.01 0.22 0.15 -0.04 3.95 4.26 3i9v41 SER 380 HB3 -0.03 -0.04 0.14 -0.04 3.93 3.96 3i9v41 LEU 381 H 0.01 0.33 -0.54 -0.55 8.37 7.62 3i9v41 LEU 381 HA 0.04 0.22 0.92 -0.75 4.35 4.78 3i9v41 LEU 381 HB2 0.01 0.03 -0.04 -0.04 1.64 1.60 3i9v41 LEU 381 HB3 -0.00 0.16 0.04 -0.04 1.64 1.79 3i9v41 LEU 381 HG 0.02 -0.07 -0.21 -0.04 1.64 1.34 3i9v41 LEU 381 HD13 0.03 -0.01 -0.00 -0.04 0.93 0.91 3i9v41 LEU 381 HD23 0.01 -0.02 -0.10 -0.04 0.89 0.74 3i9v41 PRO 382 HA 0.01 0.06 0.70 -0.51 4.44 4.70 3i9v41 PRO 382 HB2 0.03 -0.03 0.18 -0.04 2.28 2.42 3i9v41 PRO 382 HB3 0.00 0.07 0.18 -0.04 2.02 2.23 3i9v41 PRO 382 HG2 -0.02 0.04 0.20 -0.04 2.03 2.21 3i9v41 PRO 382 HG3 -0.02 0.17 0.17 -0.04 2.03 2.30 3i9v41 PRO 382 HD2 -0.00 0.17 0.12 -0.04 3.68 3.93 3i9v41 PRO 382 HD3 -0.01 0.22 0.11 -0.04 3.65 3.93 3i9v41 TYR 383 H 0.14 0.20 -0.04 -0.55 8.29 8.04 3i9v41 TYR 383 HA -0.01 0.07 0.44 -0.75 4.56 4.31 3i9v41 TYR 383 HB2 -0.01 -0.00 0.10 -0.04 3.06 3.11 3i9v41 TYR 383 HB3 -0.01 -0.02 0.04 -0.04 2.98 2.95 3i9v41 TYR 383 HD2 -0.00 0.06 -0.27 -0.04 7.15 6.89 3i9v41 TYR 383 HE2 -0.00 0.09 -0.00 -0.04 6.85 6.90 3i9v41 ALA 384 H 0.17 -0.01 -0.59 -0.55 8.40 7.43 3i9v41 ALA 384 HA 0.19 0.10 0.25 -0.75 4.34 4.13 3i9v41 ALA 384 HB3 0.07 0.13 0.07 -0.04 1.41 1.63 3i9v41 CYS 385 H 0.03 0.40 -0.45 -0.55 8.50 7.93 3i9v41 CYS 385 HA 0.01 0.10 0.91 -0.75 4.58 4.84 3i9v41 CYS 385 HB2 0.01 -0.08 0.11 -0.04 2.97 2.98 3i9v41 CYS 385 HB3 0.02 -0.04 -0.11 -0.04 2.97 2.80 3i9v41 LYS 386 H -0.08 0.47 -0.14 -0.55 8.42 8.12 3i9v41 LYS 386 HA -0.04 0.10 0.73 -0.75 4.32 4.36 3i9v41 LYS 386 HB2 -0.09 0.12 0.13 -0.04 1.87 1.99 3i9v41 LYS 386 HB3 -0.21 0.03 0.22 -0.04 1.79 1.79 3i9v41 LYS 386 HG2 -0.10 -0.04 -0.22 -0.04 1.46 1.06 3i9v41 LYS 386 HG3 -0.06 0.20 0.14 -0.04 1.46 1.69 3i9v41 LYS 386 HD2 -0.10 -0.03 0.04 -0.04 1.69 1.56 3i9v41 LYS 386 HD3 -0.24 -0.03 0.04 -0.04 1.68 1.42 3i9v41 LYS 386 HE2 -0.08 -0.03 0.01 -0.04 2.99 2.84 3i9v41 LYS 386 HE3 -0.06 0.03 0.06 -0.04 2.99 2.98 3i9v41 GLY 387 H -0.04 0.68 0.39 -0.55 8.43 8.92 3i9v41 GLY 387 HA2 -0.03 -0.17 0.49 -0.51 4.01 3.79 3i9v41 GLY 387 HA3 -0.04 0.04 0.54 -0.51 4.01 4.03 3i9v41 GLU 388 H -0.03 0.11 -0.98 -0.55 8.60 7.15 3i9v41 GLU 388 HA -0.01 0.01 0.31 -0.75 4.29 3.85 3i9v41 GLU 388 HB2 -0.00 0.16 -0.11 -0.04 2.09 2.10 3i9v41 GLU 388 HB3 0.00 -0.24 0.09 -0.04 1.99 1.81 3i9v41 GLU 388 HG2 -0.03 0.21 -0.19 -0.04 2.34 2.30 3i9v41 GLU 388 HG3 -0.00 0.02 0.02 -0.04 2.34 2.34 3i9v41 GLN 389 H 0.00 -0.04 0.06 -0.55 8.47 7.95 3i9v41 GLN 389 HA 0.00 0.30 0.52 -0.75 4.36 4.43 3i9v41 GLN 389 HB2 0.01 0.03 0.15 -0.04 2.15 2.30 3i9v41 GLN 389 HB3 0.01 -0.14 0.15 -0.04 2.02 2.00 3i9v41 GLN 389 HG2 0.01 0.01 0.13 -0.04 2.40 2.50 3i9v41 GLN 389 HG3 0.01 -0.38 0.28 -0.04 2.39 2.26 3i9v41 GLN 389 HE21 0.00 -0.00 0.03 -0.04 6.97 6.97 3i9v41 GLN 389 HE22 0.01 -0.03 0.06 -0.04 7.69 7.69 3i9v41 VAL 390 H 0.01 0.03 0.21 -0.55 8.24 7.93 3i9v41 VAL 390 HA 0.01 0.31 0.94 -0.75 4.13 4.63 3i9v41 VAL 390 HB 0.01 -0.04 0.12 -0.04 2.12 2.18 3i9v41 VAL 390 HG13 0.01 -0.01 -0.07 -0.04 0.97 0.86 3i9v41 VAL 390 HG23 0.00 0.07 -0.16 -0.04 0.95 0.83 3i9v41 PRO 391 HA 0.02 0.14 0.50 -0.51 4.44 4.58 3i9v41 PRO 391 HB2 0.02 0.04 0.04 -0.04 2.28 2.34 3i9v41 PRO 391 HB3 0.02 0.07 0.15 -0.04 2.02 2.21 3i9v41 PRO 391 HG2 0.01 0.07 0.12 -0.04 2.03 2.19 3i9v41 PRO 391 HG3 0.01 0.09 0.10 -0.04 2.03 2.19 3i9v41 PRO 391 HD2 0.01 0.01 0.29 -0.04 3.68 3.95 3i9v41 PRO 391 HD3 0.01 0.24 0.24 -0.04 3.65 4.10 3i9v41 ASP 392 H 0.02 0.01 -0.44 -0.55 8.40 7.45 3i9v41 ASP 392 HA 0.04 0.14 0.56 -0.75 4.63 4.61 3i9v41 ASP 392 HB2 0.02 -0.05 -0.07 -0.04 2.71 2.57 3i9v41 ASP 392 HB3 0.03 0.06 -0.04 -0.04 2.70 2.71 3i9v41 MET 393 H 0.02 0.38 -0.38 -0.55 8.47 7.94 3i9v41 MET 393 HA 0.03 0.01 0.18 -0.75 4.52 3.99 3i9v41 MET 393 HB2 0.02 0.04 0.05 -0.04 2.15 2.22 3i9v41 MET 393 HB3 0.02 0.09 0.00 -0.04 2.03 2.10 3i9v41 MET 393 HG2 0.02 -0.05 0.08 -0.04 2.63 2.64 3i9v41 MET 393 HG3 0.02 0.04 0.01 -0.04 2.56 2.59 3i9v41 MET 393 HE3 0.01 -0.01 -0.08 -0.04 2.10 1.98 3i9v41 VAL 394 H 0.03 0.21 -0.86 -0.55 8.24 7.07 3i9v41 VAL 394 HA 0.03 0.15 0.73 -0.75 4.13 4.29 3i9v41 VAL 394 HB 0.03 -0.01 0.17 -0.04 2.12 2.27 3i9v41 VAL 394 HG13 0.03 -0.01 -0.05 -0.04 0.97 0.90 3i9v41 VAL 394 HG23 0.02 0.02 0.02 -0.04 0.95 0.97 3i9v41 ALA 395 H 0.05 0.25 0.10 -0.55 8.40 8.26 3i9v41 ALA 395 HA 0.07 0.01 0.37 -0.75 4.34 4.04 3i9v41 ALA 395 HB3 0.09 0.04 0.11 -0.04 1.41 1.61 3i9v41 ILE 396 H 0.05 0.21 -0.70 -0.55 8.25 7.25 3i9v41 ILE 396 HA 0.06 0.09 0.32 -0.75 4.18 3.89 3i9v41 ILE 396 HB 0.04 -0.03 -0.17 -0.04 1.89 1.69 3i9v41 ILE 396 HG12 0.04 -0.04 -0.16 -0.04 1.49 1.28 3i9v41 ILE 396 HG13 0.04 0.03 -0.13 -0.04 1.21 1.11 3i9v41 ILE 396 HG23 0.03 0.06 -0.21 -0.04 0.93 0.78 3i9v41 ILE 396 HD13 0.05 0.00 -0.03 -0.04 0.88 0.87 3i9v41 ILE 397 H 0.06 0.50 -0.39 -0.55 8.25 7.87 3i9v41 ILE 397 HA 0.05 0.19 0.81 -0.75 4.18 4.47 3i9v41 ILE 397 HB 0.05 0.10 0.16 -0.04 1.89 2.15 3i9v41 ILE 397 HG12 0.03 -0.01 -0.06 -0.04 1.49 1.40 3i9v41 ILE 397 HG13 0.04 0.08 -0.13 -0.04 1.21 1.15 3i9v41 ILE 397 HG23 0.05 -0.02 -0.14 -0.04 0.93 0.78 3i9v41 ILE 397 HD13 0.03 -0.02 -0.01 -0.04 0.88 0.83 3i9v41 ALA 398 H 0.07 0.49 0.12 -0.55 8.40 8.53 3i9v41 ALA 398 HA 0.12 0.03 0.40 -0.75 4.34 4.14 3i9v41 ALA 398 HB3 0.08 0.01 0.06 -0.04 1.41 1.51 3i9v41 SER 399 H 0.12 0.24 -0.63 -0.55 8.46 7.64 3i9v41 SER 399 HA 0.37 0.06 0.43 -0.75 4.49 4.59 3i9v41 SER 399 HB2 0.12 -0.06 0.05 -0.04 3.95 4.01 3i9v41 SER 399 HB3 0.14 0.02 0.07 -0.04 3.93 4.12 3i9v41 LEU 400 H 0.07 0.39 -0.39 -0.55 8.37 7.88 3i9v41 LEU 400 HA -0.01 0.08 0.56 -0.75 4.35 4.22 3i9v41 LEU 400 HB2 0.03 0.12 0.06 -0.04 1.64 1.81 3i9v41 LEU 400 HB3 0.01 -0.07 -0.02 -0.04 1.64 1.51 3i9v41 LEU 400 HG 0.03 0.11 0.04 -0.04 1.64 1.78 3i9v41 LEU 400 HD13 0.02 0.04 0.02 -0.04 0.93 0.97 3i9v41 LEU 400 HD23 0.01 -0.00 -0.01 -0.04 0.89 0.84 3i9v41 ASP 401 H 0.06 0.21 -0.69 -0.55 8.40 7.43 3i9v41 ASP 401 HA 0.07 0.05 0.31 -0.75 4.63 4.30 3i9v41 ASP 401 HB2 -0.55 0.07 -0.07 -0.04 2.71 2.11 3i9v41 ASP 401 HB3 -0.21 0.06 0.01 -0.04 2.70 2.51 3i9v41 PRO 402 HA 0.02 0.12 0.78 -0.51 4.44 4.85 3i9v41 PRO 402 HB2 0.05 -0.12 -0.16 -0.04 2.28 2.02 3i9v41 PRO 402 HB3 0.04 0.11 -0.06 -0.04 2.02 2.07 3i9v41 PRO 402 HG2 0.05 -0.03 -0.09 -0.04 2.03 1.92 3i9v41 PRO 402 HG3 0.04 0.14 -0.23 -0.04 2.03 1.94 3i9v41 PRO 402 HD2 0.07 -0.00 0.14 -0.04 3.68 3.85 3i9v41 PRO 402 HD3 0.07 0.21 -0.03 -0.04 3.65 3.86 3i9v41 VAL 403 H 0.01 0.20 0.13 -0.55 8.24 8.03 3i9v41 VAL 403 HA 0.02 0.22 0.75 -0.75 4.13 4.36 3i9v41 VAL 403 HB -0.12 -0.04 0.17 -0.04 2.12 2.08 3i9v41 VAL 403 HG13 -0.53 -0.08 0.03 -0.04 0.97 0.34 3i9v41 VAL 403 HG23 -0.11 0.03 -0.08 -0.04 0.95 0.75 3i9v41 MET 404 H 0.13 0.25 0.06 -0.55 8.47 8.36 3i9v41 MET 404 HA 0.11 0.08 0.33 -0.75 4.52 4.29 3i9v41 MET 404 HB2 0.17 0.04 0.09 -0.04 2.15 2.41 3i9v41 MET 404 HB3 0.15 -0.02 -0.03 -0.04 2.03 2.10 3i9v41 MET 404 HG2 0.11 0.05 0.01 -0.04 2.63 2.76 3i9v41 MET 404 HG3 0.11 -0.02 -0.07 -0.04 2.56 2.54 3i9v41 MET 404 HE3 0.16 0.01 -0.05 -0.04 2.10 2.18 3i9v41 GLY 405 H 0.29 0.10 -0.09 -0.55 8.43 8.19 3i9v41 GLY 405 HA2 0.19 0.04 0.48 -0.51 4.01 4.22 3i9v41 GLY 405 HA3 0.32 0.33 0.40 -0.51 4.01 4.54 3i9v41 ASP 406 H -0.01 0.11 -0.46 -0.55 8.40 7.49 3i9v41 ASP 406 HA -0.03 0.05 0.31 -0.75 4.63 4.20 3i9v41 ASP 406 HB2 -0.01 -0.05 0.04 -0.04 2.71 2.65 3i9v41 ASP 406 HB3 0.04 -0.01 0.10 -0.04 2.70 2.79 3i9v41 VAL 407 H 0.09 0.31 -0.02 -0.55 8.24 8.06 3i9v41 VAL 407 HA 0.23 -0.04 0.21 -0.75 4.13 3.78 3i9v41 VAL 407 HB 0.14 0.13 -0.15 -0.04 2.12 2.19 3i9v41 VAL 407 HG13 0.12 0.02 0.05 -0.04 0.97 1.12 3i9v41 VAL 407 HG23 0.25 -0.00 -0.18 -0.04 0.95 0.97 3i9v41 ASP 408 H 0.13 0.68 -0.15 -0.55 8.40 8.51 3i9v41 ASP 408 HA 0.16 0.12 0.42 -0.75 4.63 4.57 3i9v41 ASP 408 HB2 0.16 0.19 -0.08 -0.04 2.71 2.93 3i9v41 ASP 408 HB3 0.19 -0.05 -0.65 -0.04 2.70 2.15 3i9v41 ARG 409 H 0.10 0.36 -0.05 -0.55 8.46 8.31 3i9v41 ARG 409 HA 0.18 0.10 0.32 -0.75 4.34 4.18 3i9v41 ARG 409 HB2 -0.43 -0.08 0.10 -0.04 1.90 1.45 3i9v41 ARG 409 HB3 -0.14 0.29 0.08 -0.04 1.80 2.00 3i9v41 ARG 409 HG2 0.06 -0.15 0.07 -0.04 1.67 1.61 3i9v41 ARG 409 HG3 -0.10 -0.06 0.02 -0.04 1.67 1.49 3i9v41 ARG 409 HD2 -0.06 0.31 -0.13 -0.04 3.22 3.30 3i9v41 ARG 409 HD3 -0.01 0.11 -0.59 -0.04 3.22 2.68