============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 3 1.000 45.487 -44.298 -9.823 -99.200 -91.000 PHE 8 1.000 50.128 -37.763 -21.069 -99.200 -91.000 TRP 31 1.040 51.440 -33.932 -43.196 -99.200 -91.000 TRP6 31 1.020 49.428 -32.811 -43.753 -99.200 -91.000 TYR 37 0.840 58.453 -39.155 -39.551 -99.200 -91.000 HIS 41 0.900 53.529 -53.785 -42.368 -99.200 -91.000 TYR 54 0.840 60.252 -54.739 -45.551 -99.200 -91.000 HIS 64 0.900 54.187 -43.036 -60.391 -99.200 -91.000 PHE 66 1.000 55.575 -44.852 -51.340 -99.200 -91.000 HIS 80 0.900 60.583 -42.953 -52.750 -99.200 -91.000 TYR 101 0.840 57.846 -33.281 -34.271 -99.200 -91.000 PHE 103 1.000 59.970 -38.384 -34.552 -99.200 -91.000 PHE 112 1.000 53.236 -46.946 -25.438 -99.200 -91.000 TYR 118 0.840 41.402 -49.917 -36.794 -99.200 -91.000 TYR 126 0.840 44.764 -48.894 -26.630 -99.200 -91.000 HIS 134 0.900 62.265 -54.688 -24.802 -99.200 -91.000 PHE 140 1.000 47.247 -51.162 -31.569 -99.200 -91.000 PHE 150 1.000 49.337 -39.589 -27.680 -99.200 -91.000 TYR 154 0.840 55.216 -27.748 -18.725 -99.200 -91.000 PHE 159 1.000 54.139 -37.724 -32.258 -99.200 -91.000 TYR 161 0.840 54.074 -49.286 -30.256 -99.200 -91.000 HIS 163 0.900 50.316 -52.499 -33.783 -99.200 -91.000 HIS 164 0.900 56.457 -50.791 -37.431 -99.200 -91.000 HIS 172 0.900 48.374 -55.777 -30.142 -99.200 -91.000 PHE 181 1.000 59.776 -54.252 -35.304 -99.200 -91.000 TYR 182 0.840 60.098 -48.993 -28.255 -99.200 -91.000 PHE 185 1.000 59.057 -59.068 -30.393 -99.200 -91.000 TRP 207 1.040 46.982 -49.915 -8.594 -99.200 -91.000 TRP6 207 1.020 46.424 -51.968 -7.551 -99.200 -91.000 TYR 209 0.840 54.165 -45.521 -1.687 -99.200 -91.000 TRP 218 1.040 42.575 -54.231 1.515 -99.200 -91.000 TRP6 218 1.020 43.670 -56.302 1.173 -99.200 -91.000 PHE 219 1.000 47.304 -51.624 0.406 -99.200 -91.000 PHE 223 1.000 55.298 -58.422 10.182 -99.200 -91.000 PHE 230 1.000 59.682 -56.362 -3.033 -99.200 -91.000 TYR 237 0.840 55.012 -65.393 -4.680 -99.200 -91.000 TYR 239 0.840 55.074 -58.803 -8.486 -99.200 -91.000 HIS 246 0.900 63.611 -50.005 -10.467 -99.200 -91.000 PHE 291 1.000 47.089 -46.786 -13.238 -99.200 -91.000 PHE 294 1.000 56.176 -37.666 -14.749 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z9lB1 SER 1 HA 0.02 0.02 0.22 -0.75 4.49 3.99 2z9lB1 SER 1 HB2 0.01 -0.06 -0.07 -0.04 3.95 3.80 2z9lB1 SER 1 HB3 0.01 -0.09 0.08 -0.04 3.93 3.89 2z9lB1 GLY 2 H 0.04 0.03 0.06 -0.55 8.43 8.02 2z9lB1 GLY 2 HA2 0.06 -0.07 0.37 -0.51 4.01 3.86 2z9lB1 GLY 2 HA3 0.04 0.15 0.69 -0.51 4.01 4.38 2z9lB1 PHE 3 H 0.12 0.22 0.13 -0.55 8.34 8.26 2z9lB1 PHE 3 HA -0.04 0.19 0.71 -0.75 4.62 4.73 2z9lB1 PHE 3 HB2 -0.10 0.07 -0.20 -0.04 3.15 2.87 2z9lB1 PHE 3 HB3 -0.08 -0.05 0.05 -0.04 3.06 2.94 2z9lB1 PHE 3 HD2 -0.14 0.07 -0.10 -0.04 7.28 7.07 2z9lB1 PHE 3 HE2 -1.10 -0.04 -0.08 -0.04 7.38 6.12 2z9lB1 PHE 3 HZ -0.54 -0.11 -0.14 -0.04 7.32 6.49 2z9lB1 ARG 4 H -0.51 0.29 0.09 -0.55 8.46 7.77 2z9lB1 ARG 4 HA -0.00 0.17 0.90 -0.75 4.34 4.66 2z9lB1 ARG 4 HB2 -0.09 0.02 -0.10 -0.04 1.90 1.68 2z9lB1 ARG 4 HB3 -0.04 0.08 -0.18 -0.04 1.80 1.62 2z9lB1 ARG 4 HG2 -0.00 0.02 -0.42 -0.04 1.67 1.22 2z9lB1 ARG 4 HG3 -0.02 0.02 -0.12 -0.04 1.67 1.51 2z9lB1 ARG 4 HD2 0.01 0.01 0.01 -0.04 3.22 3.20 2z9lB1 ARG 4 HD3 0.03 -0.01 0.10 -0.04 3.22 3.30 2z9lB1 LYS 5 H 0.08 0.16 0.11 -0.55 8.42 8.22 2z9lB1 LYS 5 HA 0.13 0.06 0.51 -0.75 4.32 4.27 2z9lB1 LYS 5 HB2 0.07 -0.01 0.10 -0.04 1.87 1.99 2z9lB1 LYS 5 HB3 -0.01 0.00 0.21 -0.04 1.79 1.96 2z9lB1 LYS 5 HG2 -0.13 -0.07 -0.06 -0.04 1.46 1.17 2z9lB1 LYS 5 HG3 -0.32 0.03 -0.00 -0.04 1.46 1.13 2z9lB1 LYS 5 HD2 -0.11 -0.01 0.04 -0.04 1.69 1.56 2z9lB1 LYS 5 HD3 -0.20 0.12 0.05 -0.04 1.68 1.62 2z9lB1 LYS 5 HE2 -0.28 -0.02 -0.04 -0.04 2.99 2.60 2z9lB1 LYS 5 HE3 -0.27 -0.06 -0.02 -0.04 2.99 2.61 2z9lB1 MET 6 H -0.04 0.21 0.21 -0.55 8.47 8.29 2z9lB1 MET 6 HA -0.07 0.21 1.08 -0.75 4.52 4.99 2z9lB1 MET 6 HB2 -0.08 0.04 0.04 -0.04 2.15 2.10 2z9lB1 MET 6 HB3 -0.08 0.01 -0.27 -0.04 2.03 1.66 2z9lB1 MET 6 HG2 -0.11 0.06 0.01 -0.04 2.63 2.54 2z9lB1 MET 6 HG3 -0.16 -0.06 -0.17 -0.04 2.56 2.13 2z9lB1 MET 6 HE3 -0.09 0.02 -0.05 -0.04 2.10 1.94 2z9lB1 ALA 7 H -0.07 0.18 0.10 -0.55 8.40 8.06 2z9lB1 ALA 7 HA -0.17 0.11 0.73 -0.75 4.34 4.26 2z9lB1 ALA 7 HB3 -0.04 -0.02 -0.14 -0.04 1.41 1.17 2z9lB1 PHE 8 H 0.04 0.04 0.09 -0.55 8.34 7.96 2z9lB1 PHE 8 HA 0.04 0.17 0.52 -0.75 4.62 4.60 2z9lB1 PHE 8 HB2 -0.06 -0.07 0.02 -0.04 3.15 3.00 2z9lB1 PHE 8 HB3 0.17 0.14 -0.06 -0.04 3.06 3.27 2z9lB1 PHE 8 HD2 -0.06 0.04 0.10 -0.04 7.28 7.31 2z9lB1 PHE 8 HE2 0.02 0.05 0.10 -0.04 7.38 7.51 2z9lB1 PHE 8 HZ 0.08 0.01 0.05 -0.04 7.32 7.42 2z9lB1 PRO 9 HA 0.13 0.03 0.46 -0.51 4.44 4.56 2z9lB1 PRO 9 HB2 0.12 -0.02 0.09 -0.04 2.28 2.43 2z9lB1 PRO 9 HB3 0.09 0.02 0.09 -0.04 2.02 2.19 2z9lB1 PRO 9 HG2 0.12 0.07 0.08 -0.04 2.03 2.25 2z9lB1 PRO 9 HG3 0.09 0.09 0.07 -0.04 2.03 2.24 2z9lB1 PRO 9 HD2 0.30 0.08 0.18 -0.04 3.68 4.20 2z9lB1 PRO 9 HD3 0.18 0.18 0.21 -0.04 3.65 4.19 2z9lB1 SER 10 H 0.14 0.16 0.15 -0.55 8.46 8.36 2z9lB1 SER 10 HA 0.15 0.16 0.49 -0.75 4.49 4.53 2z9lB1 SER 10 HB2 0.09 -0.01 0.05 -0.04 3.95 4.04 2z9lB1 SER 10 HB3 0.22 0.08 0.03 -0.04 3.93 4.22 2z9lB1 GLY 11 H 0.05 0.12 -0.19 -0.55 8.43 7.87 2z9lB1 GLY 11 HA2 0.01 0.06 0.35 -0.51 4.01 3.92 2z9lB1 GLY 11 HA3 0.01 0.10 0.26 -0.51 4.01 3.87 2z9lB1 LYS 12 H -0.03 0.15 -0.25 -0.55 8.42 7.74 2z9lB1 LYS 12 HA -0.04 0.15 0.43 -0.75 4.32 4.10 2z9lB1 LYS 12 HB2 -0.10 -0.02 -0.02 -0.04 1.87 1.69 2z9lB1 LYS 12 HB3 -0.07 0.07 0.01 -0.04 1.79 1.76 2z9lB1 LYS 12 HG2 -0.02 0.04 0.02 -0.04 1.46 1.46 2z9lB1 LYS 12 HG3 -0.01 -0.06 -0.01 -0.04 1.46 1.34 2z9lB1 LYS 12 HD2 -0.03 -0.03 -0.09 -0.04 1.69 1.50 2z9lB1 LYS 12 HD3 -0.02 0.04 0.04 -0.04 1.68 1.69 2z9lB1 LYS 12 HE2 0.01 0.14 0.13 -0.04 2.99 3.23 2z9lB1 LYS 12 HE3 0.00 -0.02 0.05 -0.04 2.99 2.98 2z9lB1 VAL 13 H -0.20 0.24 -0.33 -0.55 8.24 7.40 2z9lB1 VAL 13 HA -0.06 0.15 0.52 -0.75 4.13 3.98 2z9lB1 VAL 13 HB -0.38 0.07 0.05 -0.04 2.12 1.81 2z9lB1 VAL 13 HG13 -0.04 -0.00 -0.11 -0.04 0.97 0.78 2z9lB1 VAL 13 HG23 -1.37 -0.02 -0.13 -0.04 0.95 -0.61 2z9lB1 GLU 14 H -0.06 0.46 0.04 -0.55 8.60 8.49 2z9lB1 GLU 14 HA 0.01 0.02 0.43 -0.75 4.29 3.99 2z9lB1 GLU 14 HB2 0.00 0.09 0.15 -0.04 2.09 2.29 2z9lB1 GLU 14 HB3 0.02 0.02 0.01 -0.04 1.99 2.00 2z9lB1 GLU 14 HG2 0.03 -0.00 -0.00 -0.04 2.34 2.33 2z9lB1 GLU 14 HG3 0.01 0.08 -0.12 -0.04 2.34 2.26 2z9lB1 GLY 15 H -0.02 0.37 -0.31 -0.55 8.43 7.92 2z9lB1 GLY 15 HA2 0.02 0.01 0.30 -0.51 4.01 3.82 2z9lB1 GLY 15 HA3 -0.02 0.03 0.28 -0.51 4.01 3.79 2z9lB1 CYS 16 H 0.00 0.48 -0.80 -0.55 8.50 7.64 2z9lB1 CYS 16 HA 0.00 0.19 0.99 -0.75 4.58 5.02 2z9lB1 CYS 16 HB2 -0.01 0.05 0.09 -0.04 2.97 3.06 2z9lB1 CYS 16 HB3 -0.04 -0.13 0.15 -0.04 2.97 2.90 2z9lB1 MET 17 H 0.05 0.45 0.18 -0.55 8.47 8.60 2z9lB1 MET 17 HA 0.04 0.19 0.84 -0.75 4.52 4.84 2z9lB1 MET 17 HB2 0.04 0.08 0.23 -0.04 2.15 2.46 2z9lB1 MET 17 HB3 0.03 -0.04 0.06 -0.04 2.03 2.04 2z9lB1 MET 17 HG2 0.02 0.12 0.08 -0.04 2.63 2.81 2z9lB1 MET 17 HG3 0.02 -0.11 -0.05 -0.04 2.56 2.38 2z9lB1 MET 17 HE3 -0.01 0.04 -0.03 -0.04 2.10 2.06 2z9lB1 VAL 18 H 0.03 0.53 0.46 -0.55 8.24 8.71 2z9lB1 VAL 18 HA 0.03 0.18 0.90 -0.75 4.13 4.48 2z9lB1 VAL 18 HB -0.11 0.00 -0.05 -0.04 2.12 1.92 2z9lB1 VAL 18 HG13 0.04 0.00 -0.30 -0.04 0.97 0.67 2z9lB1 VAL 18 HG23 -0.06 -0.00 -0.34 -0.04 0.95 0.50 2z9lB1 GLN 19 H -0.04 0.71 0.34 -0.55 8.47 8.93 2z9lB1 GLN 19 HA -0.02 0.14 0.87 -0.75 4.36 4.60 2z9lB1 GLN 19 HB2 -0.00 0.12 -0.14 -0.04 2.15 2.09 2z9lB1 GLN 19 HB3 -0.02 -0.03 0.11 -0.04 2.02 2.04 2z9lB1 GLN 19 HG2 -0.01 0.01 -0.26 -0.04 2.40 2.10 2z9lB1 GLN 19 HG3 0.00 -0.05 -0.07 -0.04 2.39 2.24 2z9lB1 GLN 19 HE21 0.01 -0.04 -0.02 -0.04 6.97 6.88 2z9lB1 GLN 19 HE22 0.00 0.06 -0.05 -0.04 7.69 7.66 2z9lB1 VAL 20 H -0.03 0.62 0.27 -0.55 8.24 8.55 2z9lB1 VAL 20 HA -0.03 0.23 0.90 -0.75 4.13 4.49 2z9lB1 VAL 20 HB -0.05 -0.00 -0.10 -0.04 2.12 1.93 2z9lB1 VAL 20 HG13 0.03 -0.01 -0.25 -0.04 0.97 0.69 2z9lB1 VAL 20 HG23 -0.08 -0.01 -0.41 -0.04 0.95 0.41 2z9lB1 THR 21 H 0.01 0.46 0.20 -0.55 8.28 8.40 2z9lB1 THR 21 HA -0.01 0.35 1.12 -0.75 4.39 5.10 2z9lB1 THR 21 HB -0.01 -0.05 0.08 -0.04 4.32 4.30 2z9lB1 THR 21 HG23 -0.02 -0.00 -0.26 -0.04 1.22 0.90 2z9lB1 CYS 22 H -0.03 0.76 0.16 -0.55 8.50 8.84 2z9lB1 CYS 22 HA -0.15 0.24 0.79 -0.75 4.58 4.70 2z9lB1 CYS 22 HB2 -0.05 0.19 0.05 -0.04 2.97 3.13 2z9lB1 CYS 22 HB3 -0.12 -0.04 0.02 -0.04 2.97 2.79 2z9lB1 GLY 23 H -0.08 0.19 0.11 -0.55 8.43 8.11 2z9lB1 GLY 23 HA2 -0.04 0.02 0.35 -0.51 4.01 3.83 2z9lB1 GLY 23 HA3 -0.04 -0.02 0.45 -0.51 4.01 3.88 2z9lB1 THR 24 H -0.02 0.07 0.24 -0.55 8.28 8.02 2z9lB1 THR 24 HA -0.01 0.21 0.80 -0.75 4.39 4.64 2z9lB1 THR 24 HB -0.00 -0.03 0.08 -0.04 4.32 4.32 2z9lB1 THR 24 HG23 0.00 -0.01 0.02 -0.04 1.22 1.19 2z9lB1 THR 25 H -0.01 0.43 0.05 -0.55 8.28 8.20 2z9lB1 THR 25 HA 0.02 0.05 0.76 -0.75 4.39 4.47 2z9lB1 THR 25 HB 0.00 0.22 0.17 -0.04 4.32 4.67 2z9lB1 THR 25 HG23 0.03 -0.01 -0.10 -0.04 1.22 1.11 2z9lB1 THR 26 H 0.02 0.19 0.25 -0.55 8.28 8.19 2z9lB1 THR 26 HA -0.00 0.37 1.05 -0.75 4.39 5.05 2z9lB1 THR 26 HB 0.02 -0.06 0.10 -0.04 4.32 4.34 2z9lB1 THR 26 HG23 0.01 -0.01 -0.12 -0.04 1.22 1.06 2z9lB1 LEU 27 H -0.02 0.64 0.36 -0.55 8.37 8.80 2z9lB1 LEU 27 HA -0.01 0.09 0.65 -0.75 4.35 4.33 2z9lB1 LEU 27 HB2 -0.11 0.15 0.15 -0.04 1.64 1.79 2z9lB1 LEU 27 HB3 -0.05 -0.04 0.01 -0.04 1.64 1.52 2z9lB1 LEU 27 HG -0.09 -0.02 -0.22 -0.04 1.64 1.26 2z9lB1 LEU 27 HD13 -0.12 0.04 -0.20 -0.04 0.93 0.60 2z9lB1 LEU 27 HD23 -0.33 -0.02 -0.13 -0.04 0.89 0.36 2z9lB1 ASN 28 H -0.08 0.71 0.28 -0.55 8.53 8.90 2z9lB1 ASN 28 HA -0.04 0.17 0.87 -0.75 4.76 5.00 2z9lB1 ASN 28 HB2 -0.08 -0.07 -0.13 -0.04 2.88 2.56 2z9lB1 ASN 28 HB3 -0.04 0.06 -0.02 -0.04 2.79 2.75 2z9lB1 ASN 28 HD21 -0.15 0.25 -0.11 -0.04 7.03 6.97 2z9lB1 ASN 28 HD22 -0.11 0.19 -0.37 -0.04 7.74 7.42 2z9lB1 GLY 29 H -0.04 0.58 0.38 -0.55 8.43 8.81 2z9lB1 GLY 29 HA2 -0.07 0.29 0.90 -0.51 4.01 4.62 2z9lB1 GLY 29 HA3 -0.06 -0.06 0.16 -0.51 4.01 3.54 2z9lB1 LEU 30 H -0.00 0.57 0.35 -0.55 8.37 8.74 2z9lB1 LEU 30 HA -0.01 0.26 0.89 -0.75 4.35 4.73 2z9lB1 LEU 30 HB2 -0.17 0.04 0.02 -0.04 1.64 1.49 2z9lB1 LEU 30 HB3 -0.11 -0.10 0.20 -0.04 1.64 1.59 2z9lB1 LEU 30 HG -0.33 0.02 -0.25 -0.04 1.64 1.04 2z9lB1 LEU 30 HD13 -0.25 0.02 -0.05 -0.04 0.93 0.61 2z9lB1 LEU 30 HD23 -1.08 -0.03 -0.07 -0.04 0.89 -0.32 2z9lB1 TRP 31 H 0.18 1.00 0.32 -0.55 7.97 8.92 2z9lB1 TRP 31 HA -0.03 0.27 0.97 -0.75 4.62 5.08 2z9lB1 TRP 31 HB2 -0.04 -0.08 -0.12 -0.04 3.23 2.94 2z9lB1 TRP 31 HB3 -0.04 0.11 0.11 -0.04 3.23 3.37 2z9lB1 TRP 31 HD1 -0.04 0.12 -0.29 -0.04 7.22 6.98 2z9lB1 TRP 31 HE1 -0.02 0.15 0.05 -0.04 10.20 10.34 2z9lB1 TRP 31 HE3 -0.02 0.10 -0.13 -0.04 7.59 7.50 2z9lB1 TRP 31 HZ2 -0.01 0.02 -0.62 -0.04 7.44 6.79 2z9lB1 TRP 31 HZ3 -0.01 -0.01 -0.06 -0.04 7.13 7.02 2z9lB1 TRP 31 HH2 -0.00 -0.01 -0.15 -0.04 7.19 6.98 2z9lB1 LEU 32 H 0.21 0.62 0.26 -0.55 8.37 8.91 2z9lB1 LEU 32 HA -0.23 0.15 0.92 -0.75 4.35 4.44 2z9lB1 LEU 32 HB2 0.02 -0.04 0.09 -0.04 1.64 1.67 2z9lB1 LEU 32 HB3 -0.39 -0.00 0.00 -0.04 1.64 1.21 2z9lB1 LEU 32 HG -0.22 -0.03 -0.46 -0.04 1.64 0.88 2z9lB1 LEU 32 HD13 -0.80 -0.02 -0.10 -0.04 0.93 -0.03 2z9lB1 LEU 32 HD23 -0.37 0.06 -0.06 -0.04 0.89 0.47 2z9lB1 ASP 33 H -0.23 0.23 0.20 -0.55 8.40 8.05 2z9lB1 ASP 33 HA -0.10 0.06 0.41 -0.75 4.63 4.25 2z9lB1 ASP 33 HB2 0.07 0.18 0.11 -0.04 2.71 3.03 2z9lB1 ASP 33 HB3 0.03 -0.04 0.23 -0.04 2.70 2.87 2z9lB1 ASP 34 H 0.08 0.11 0.21 -0.55 8.40 8.25 2z9lB1 ASP 34 HA 0.36 0.35 0.95 -0.75 4.63 5.54 2z9lB1 ASP 34 HB2 0.10 0.22 0.21 -0.04 2.71 3.20 2z9lB1 ASP 34 HB3 0.10 -0.08 -0.10 -0.04 2.70 2.59 2z9lB1 THR 35 H 0.21 0.51 -0.20 -0.55 8.28 8.25 2z9lB1 THR 35 HA -0.04 0.30 1.06 -0.75 4.39 4.95 2z9lB1 THR 35 HB 0.03 0.03 0.05 -0.04 4.32 4.39 2z9lB1 THR 35 HG23 -0.53 -0.01 -0.20 -0.04 1.22 0.43 2z9lB1 VAL 36 H -0.19 0.58 0.32 -0.55 8.24 8.40 2z9lB1 VAL 36 HA 0.06 0.37 1.00 -0.75 4.13 4.80 2z9lB1 VAL 36 HB -0.19 -0.04 0.05 -0.04 2.12 1.90 2z9lB1 VAL 36 HG13 -0.11 -0.01 -0.33 -0.04 0.97 0.48 2z9lB1 VAL 36 HG23 -0.24 -0.00 -0.27 -0.04 0.95 0.39 2z9lB1 TYR 37 H 0.14 0.64 0.34 -0.55 8.29 8.86 2z9lB1 TYR 37 HA -0.11 0.36 1.07 -0.75 4.56 5.13 2z9lB1 TYR 37 HB2 -0.18 -0.04 0.15 -0.04 3.06 2.95 2z9lB1 TYR 37 HB3 -0.17 -0.02 0.01 -0.04 2.98 2.75 2z9lB1 TYR 37 HD2 -0.08 0.14 -0.03 -0.04 7.15 7.13 2z9lB1 TYR 37 HE2 0.10 0.00 -0.07 -0.04 6.85 6.84 2z9lB1 CYS 38 H -0.08 0.42 0.32 -0.55 8.50 8.61 2z9lB1 CYS 38 HA -0.15 0.14 0.57 -0.75 4.58 4.40 2z9lB1 CYS 38 HB2 -0.15 0.22 0.15 -0.04 2.97 3.14 2z9lB1 CYS 38 HB3 -0.11 -0.01 -0.21 -0.04 2.97 2.60 2z9lB1 PRO 39 HA -0.28 0.17 0.64 -0.51 4.44 4.46 2z9lB1 PRO 39 HB2 -0.69 -0.03 0.05 -0.04 2.28 1.58 2z9lB1 PRO 39 HB3 -0.65 0.01 0.15 -0.04 2.02 1.49 2z9lB1 PRO 39 HG2 -0.48 0.00 0.09 -0.04 2.03 1.60 2z9lB1 PRO 39 HG3 -0.89 0.06 0.07 -0.04 2.03 1.23 2z9lB1 PRO 39 HD2 -0.29 0.19 0.15 -0.04 3.68 3.69 2z9lB1 PRO 39 HD3 -0.28 0.17 0.23 -0.04 3.65 3.73 2z9lB1 ARG 40 H -0.08 0.61 0.26 -0.55 8.46 8.71 2z9lB1 ARG 40 HA -0.06 0.11 0.25 -0.75 4.34 3.88 2z9lB1 ARG 40 HB2 -0.09 -0.04 -0.06 -0.04 1.90 1.66 2z9lB1 ARG 40 HB3 -0.11 0.05 -0.34 -0.04 1.80 1.36 2z9lB1 ARG 40 HG2 -0.21 0.18 0.06 -0.04 1.67 1.66 2z9lB1 ARG 40 HG3 -0.71 -0.02 -0.20 -0.04 1.67 0.71 2z9lB1 ARG 40 HD2 -0.63 -0.11 -0.08 -0.04 3.22 2.36 2z9lB1 ARG 40 HD3 -0.23 0.19 -0.02 -0.04 3.22 3.12 2z9lB1 HIS 41 H -0.03 0.11 -0.31 -0.55 8.41 7.64 2z9lB1 HIS 41 HA 0.37 0.01 0.41 -0.75 4.63 4.67 2z9lB1 HIS 41 HB2 0.20 0.05 0.11 -0.04 3.26 3.58 2z9lB1 HIS 41 HB3 0.17 -0.01 0.07 -0.04 3.20 3.38 2z9lB1 HIS 41 HD2 0.08 -0.07 0.04 -0.04 6.97 6.97 2z9lB1 HIS 41 HE1 -0.03 -0.06 -0.01 -0.04 7.75 7.61 2z9lB1 VAL 42 H -0.12 0.31 -0.82 -0.55 8.24 7.05 2z9lB1 VAL 42 HA -0.06 0.05 0.35 -0.75 4.13 3.71 2z9lB1 VAL 42 HB -0.15 0.03 -0.08 -0.04 2.12 1.87 2z9lB1 VAL 42 HG13 0.05 0.00 -0.27 -0.04 0.97 0.71 2z9lB1 VAL 42 HG23 -0.01 -0.02 -0.23 -0.04 0.95 0.65 2z9lB1 ILE 43 H 0.11 0.36 -0.22 -0.55 8.25 7.95 2z9lB1 ILE 43 HA -0.00 0.18 0.61 -0.75 4.18 4.22 2z9lB1 ILE 43 HB 0.03 -0.01 -0.06 -0.04 1.89 1.81 2z9lB1 ILE 43 HG12 0.25 0.23 0.07 -0.04 1.49 2.00 2z9lB1 ILE 43 HG13 0.12 -0.06 -0.37 -0.04 1.21 0.86 2z9lB1 ILE 43 HG23 0.21 0.01 -0.10 -0.04 0.93 1.02 2z9lB1 ILE 43 HD13 0.20 -0.03 -0.16 -0.04 0.88 0.85 2z9lB1 CYS 44 H 0.16 0.08 -0.16 -0.55 8.50 8.03 2z9lB1 CYS 44 HA -0.00 0.11 0.76 -0.75 4.58 4.69 2z9lB1 CYS 44 HB2 -0.05 -0.06 -0.03 -0.04 2.97 2.78 2z9lB1 CYS 44 HB3 -0.10 -0.05 -0.03 -0.04 2.97 2.75 2z9lB1 THR 45 H -0.01 0.00 0.08 -0.55 8.28 7.80 2z9lB1 THR 45 HA 0.02 0.24 0.44 -0.75 4.39 4.33 2z9lB1 THR 45 HB -0.00 -0.23 0.22 -0.04 4.32 4.27 2z9lB1 THR 45 HG23 -0.01 0.05 0.04 -0.04 1.22 1.26 2z9lB1 ALA 46 H 0.01 0.11 0.12 -0.55 8.40 8.08 2z9lB1 ALA 46 HA 0.02 0.16 0.43 -0.75 4.34 4.19 2z9lB1 ALA 46 HB3 0.01 -0.00 0.12 -0.04 1.41 1.49 2z9lB1 GLU 47 H -0.01 0.07 0.01 -0.55 8.60 8.13 2z9lB1 GLU 47 HA -0.01 0.09 0.29 -0.75 4.29 3.91 2z9lB1 GLU 47 HB2 -0.01 0.03 0.12 -0.04 2.09 2.19 2z9lB1 GLU 47 HB3 -0.02 -0.19 0.10 -0.04 1.99 1.84 2z9lB1 GLU 47 HG2 -0.02 0.05 -0.25 -0.04 2.34 2.07 2z9lB1 GLU 47 HG3 -0.01 0.04 -0.02 -0.04 2.34 2.30 2z9lB1 ASP 48 H -0.03 0.01 -0.22 -0.55 8.40 7.61 2z9lB1 ASP 48 HA -0.06 0.02 0.24 -0.75 4.63 4.07 2z9lB1 ASP 48 HB2 -0.04 0.29 -0.15 -0.04 2.71 2.76 2z9lB1 ASP 48 HB3 -0.12 -0.02 -0.04 -0.04 2.70 2.48 2z9lB1 MET 49 H -0.02 0.44 -0.38 -0.55 8.47 7.97 2z9lB1 MET 49 HA -0.02 -0.03 0.38 -0.75 4.52 4.11 2z9lB1 MET 49 HB2 -0.00 0.21 0.14 -0.04 2.15 2.45 2z9lB1 MET 49 HB3 -0.01 -0.17 0.12 -0.04 2.03 1.94 2z9lB1 MET 49 HG2 0.02 0.29 0.09 -0.04 2.63 2.99 2z9lB1 MET 49 HG3 0.01 -0.07 0.05 -0.04 2.56 2.51 2z9lB1 MET 49 HE3 -0.23 -0.02 -0.05 -0.04 2.10 1.76 2z9lB1 LEU 50 H -0.02 0.75 -0.34 -0.55 8.37 8.20 2z9lB1 LEU 50 HA -0.01 0.03 0.47 -0.75 4.35 4.09 2z9lB1 LEU 50 HB2 -0.02 -0.01 -0.07 -0.04 1.64 1.50 2z9lB1 LEU 50 HB3 -0.01 -0.05 0.09 -0.04 1.64 1.62 2z9lB1 LEU 50 HG -0.01 0.19 0.08 -0.04 1.64 1.86 2z9lB1 LEU 50 HD13 -0.01 -0.04 -0.02 -0.04 0.93 0.82 2z9lB1 LEU 50 HD23 -0.01 -0.02 0.03 -0.04 0.89 0.85 2z9lB1 ASN 51 H -0.04 0.47 -0.43 -0.55 8.53 7.98 2z9lB1 ASN 51 HA -0.02 -0.01 0.26 -0.75 4.76 4.24 2z9lB1 ASN 51 HB2 -0.01 0.22 0.55 -0.04 2.88 3.60 2z9lB1 ASN 51 HB3 -0.02 -0.10 0.00 -0.04 2.79 2.63 2z9lB1 ASN 51 HD21 -0.01 -0.06 -0.02 -0.04 7.03 6.90 2z9lB1 ASN 51 HD22 -0.02 -0.02 0.03 -0.04 7.74 7.69 2z9lB1 PRO 52 HA -0.14 0.05 0.53 -0.51 4.44 4.37 2z9lB1 PRO 52 HB2 -0.50 -0.04 -0.14 -0.04 2.28 1.55 2z9lB1 PRO 52 HB3 -0.21 -0.14 -0.19 -0.04 2.02 1.43 2z9lB1 PRO 52 HG2 -0.84 -0.05 -0.11 -0.04 2.03 1.00 2z9lB1 PRO 52 HG3 -0.30 0.05 -0.11 -0.04 2.03 1.62 2z9lB1 PRO 52 HD2 -0.03 0.09 0.16 -0.04 3.68 3.85 2z9lB1 PRO 52 HD3 -0.06 0.05 0.14 -0.04 3.65 3.75 2z9lB1 ASN 53 H -0.15 0.21 0.09 -0.55 8.53 8.14 2z9lB1 ASN 53 HA -0.03 0.20 0.81 -0.75 4.76 4.98 2z9lB1 ASN 53 HB2 -0.03 0.16 0.04 -0.04 2.88 3.01 2z9lB1 ASN 53 HB3 -0.04 -0.03 0.20 -0.04 2.79 2.88 2z9lB1 ASN 53 HD21 0.02 0.01 0.02 -0.04 7.03 7.03 2z9lB1 ASN 53 HD22 0.00 0.10 0.02 -0.04 7.74 7.82 2z9lB1 TYR 54 H 0.14 0.29 -0.02 -0.55 8.29 8.15 2z9lB1 TYR 54 HA 0.03 0.10 0.43 -0.75 4.56 4.37 2z9lB1 TYR 54 HB2 0.04 0.02 0.05 -0.04 3.06 3.13 2z9lB1 TYR 54 HB3 0.05 0.05 -0.05 -0.04 2.98 2.99 2z9lB1 TYR 54 HD2 0.05 0.01 -0.07 -0.04 7.15 7.10 2z9lB1 TYR 54 HE2 0.08 0.06 -0.07 -0.04 6.85 6.88 2z9lB1 GLU 55 H 0.12 0.12 -0.11 -0.55 8.60 8.18 2z9lB1 GLU 55 HA 0.08 0.11 0.38 -0.75 4.29 4.11 2z9lB1 GLU 55 HB2 0.06 0.04 0.09 -0.04 2.09 2.24 2z9lB1 GLU 55 HB3 0.05 -0.05 0.08 -0.04 1.99 2.02 2z9lB1 GLU 55 HG2 0.03 0.02 -0.23 -0.04 2.34 2.12 2z9lB1 GLU 55 HG3 0.04 0.01 -0.03 -0.04 2.34 2.32 2z9lB1 ASP 56 H 0.03 0.04 -0.29 -0.55 8.40 7.63 2z9lB1 ASP 56 HA 0.02 0.08 0.32 -0.75 4.63 4.29 2z9lB1 ASP 56 HB2 -0.00 -0.09 0.09 -0.04 2.71 2.66 2z9lB1 ASP 56 HB3 -0.02 0.08 -0.01 -0.04 2.70 2.71 2z9lB1 LEU 57 H 0.01 0.28 -0.26 -0.55 8.37 7.85 2z9lB1 LEU 57 HA -0.01 0.05 0.41 -0.75 4.35 4.05 2z9lB1 LEU 57 HB2 0.04 0.03 0.09 -0.04 1.64 1.75 2z9lB1 LEU 57 HB3 0.01 0.02 -0.11 -0.04 1.64 1.52 2z9lB1 LEU 57 HG -0.10 0.24 0.05 -0.04 1.64 1.80 2z9lB1 LEU 57 HD13 -0.25 -0.05 -0.16 -0.04 0.93 0.43 2z9lB1 LEU 57 HD23 -0.05 -0.01 -0.03 -0.04 0.89 0.76 2z9lB1 LEU 58 H 0.09 0.76 -0.04 -0.55 8.37 8.64 2z9lB1 LEU 58 HA 0.09 0.05 0.37 -0.75 4.35 4.11 2z9lB1 LEU 58 HB2 0.14 -0.02 0.05 -0.04 1.64 1.77 2z9lB1 LEU 58 HB3 0.11 0.02 0.12 -0.04 1.64 1.84 2z9lB1 LEU 58 HG 0.21 0.04 -0.24 -0.04 1.64 1.60 2z9lB1 LEU 58 HD13 0.18 -0.00 -0.07 -0.04 0.93 1.00 2z9lB1 LEU 58 HD23 0.12 -0.03 -0.13 -0.04 0.89 0.81 2z9lB1 ILE 59 H 0.06 0.50 -0.10 -0.55 8.25 8.16 2z9lB1 ILE 59 HA 0.08 0.04 0.35 -0.75 4.18 3.91 2z9lB1 ILE 59 HB 0.04 -0.04 0.11 -0.04 1.89 1.96 2z9lB1 ILE 59 HG12 0.02 0.02 -0.03 -0.04 1.49 1.46 2z9lB1 ILE 59 HG13 0.03 0.00 0.14 -0.04 1.21 1.34 2z9lB1 ILE 59 HG23 0.02 0.02 -0.03 -0.04 0.93 0.90 2z9lB1 ILE 59 HD13 0.02 -0.03 0.01 -0.04 0.88 0.84 2z9lB1 ARG 60 H 0.02 0.27 -0.70 -0.55 8.46 7.50 2z9lB1 ARG 60 HA 0.00 0.06 0.62 -0.75 4.34 4.27 2z9lB1 ARG 60 HB2 -0.02 0.11 0.05 -0.04 1.90 2.00 2z9lB1 ARG 60 HB3 -0.02 -0.10 0.13 -0.04 1.80 1.78 2z9lB1 ARG 60 HG2 -0.00 -0.08 -0.02 -0.04 1.67 1.53 2z9lB1 ARG 60 HG3 0.00 0.34 0.08 -0.04 1.67 2.06 2z9lB1 ARG 60 HD2 -0.02 -0.03 0.01 -0.04 3.22 3.15 2z9lB1 ARG 60 HD3 -0.01 -0.07 0.01 -0.04 3.22 3.10 2z9lB1 LYS 61 H 0.01 0.60 -0.19 -0.55 8.42 8.29 2z9lB1 LYS 61 HA -0.14 0.08 0.83 -0.75 4.32 4.34 2z9lB1 LYS 61 HB2 -0.05 0.16 0.15 -0.04 1.87 2.09 2z9lB1 LYS 61 HB3 -0.25 -0.02 -0.06 -0.04 1.79 1.42 2z9lB1 LYS 61 HG2 -0.28 -0.04 0.04 -0.04 1.46 1.13 2z9lB1 LYS 61 HG3 -0.13 0.04 -0.06 -0.04 1.46 1.27 2z9lB1 LYS 61 HD2 -0.12 -0.06 -0.08 -0.04 1.69 1.40 2z9lB1 LYS 61 HD3 -1.05 -0.00 -0.09 -0.04 1.68 0.49 2z9lB1 LYS 61 HE2 -0.17 0.07 -0.00 -0.04 2.99 2.85 2z9lB1 LYS 61 HE3 -0.26 -0.02 -0.06 -0.04 2.99 2.61 2z9lB1 SER 62 H -0.27 0.11 0.18 -0.55 8.46 7.93 2z9lB1 SER 62 HA 0.02 0.26 0.83 -0.75 4.49 4.85 2z9lB1 SER 62 HB2 -0.24 -0.04 0.12 -0.04 3.95 3.76 2z9lB1 SER 62 HB3 -0.21 0.12 -0.05 -0.04 3.93 3.75 2z9lB1 ASN 63 H 0.06 0.19 0.11 -0.55 8.53 8.35 2z9lB1 ASN 63 HA 0.21 0.08 0.33 -0.75 4.76 4.62 2z9lB1 ASN 63 HB2 0.08 -0.07 0.12 -0.04 2.88 2.97 2z9lB1 ASN 63 HB3 0.09 0.40 0.01 -0.04 2.79 3.25 2z9lB1 ASN 63 HD21 0.04 0.06 -0.20 -0.04 7.03 6.88 2z9lB1 ASN 63 HD22 0.06 0.02 -0.03 -0.04 7.74 7.74 2z9lB1 HIS 64 H -0.17 0.03 -0.17 -0.55 8.41 7.55 2z9lB1 HIS 64 HA 0.02 0.18 0.47 -0.75 4.63 4.55 2z9lB1 HIS 64 HB2 -0.01 0.04 0.12 -0.04 3.26 3.36 2z9lB1 HIS 64 HB3 0.00 -0.02 0.09 -0.04 3.20 3.23 2z9lB1 HIS 64 HD2 0.00 -0.00 0.02 -0.04 6.97 6.94 2z9lB1 HIS 64 HE1 -0.04 0.02 -0.05 -0.04 7.75 7.64 2z9lB1 SER 65 H -0.28 0.40 -0.61 -0.55 8.46 7.43 2z9lB1 SER 65 HA -0.11 0.03 0.45 -0.75 4.49 4.10 2z9lB1 SER 65 HB2 -0.72 0.19 0.09 -0.04 3.95 3.48 2z9lB1 SER 65 HB3 -0.47 -0.02 0.12 -0.04 3.93 3.51 2z9lB1 PHE 66 H 0.01 0.35 -0.27 -0.55 8.34 7.87 2z9lB1 PHE 66 HA -0.07 0.28 0.87 -0.75 4.62 4.94 2z9lB1 PHE 66 HB2 -0.09 0.06 0.16 -0.04 3.15 3.23 2z9lB1 PHE 66 HB3 -0.10 -0.04 -0.09 -0.04 3.06 2.79 2z9lB1 PHE 66 HD2 -0.15 0.07 -0.07 -0.04 7.28 7.08 2z9lB1 PHE 66 HE2 -0.41 -0.03 -0.22 -0.04 7.38 6.68 2z9lB1 PHE 66 HZ -0.22 -0.03 -0.14 -0.04 7.32 6.89 2z9lB1 LEU 67 H 0.02 0.71 0.28 -0.55 8.37 8.83 2z9lB1 LEU 67 HA 0.00 0.17 0.94 -0.75 4.35 4.71 2z9lB1 LEU 67 HB2 -0.01 0.02 -0.01 -0.04 1.64 1.60 2z9lB1 LEU 67 HB3 -0.01 -0.04 0.17 -0.04 1.64 1.72 2z9lB1 LEU 67 HG -0.02 -0.01 -0.39 -0.04 1.64 1.18 2z9lB1 LEU 67 HD13 -0.02 0.00 -0.05 -0.04 0.93 0.82 2z9lB1 LEU 67 HD23 -0.02 -0.01 -0.08 -0.04 0.89 0.74 2z9lB1 VAL 68 H -0.04 0.30 0.13 -0.55 8.24 8.08 2z9lB1 VAL 68 HA -0.08 0.38 0.95 -0.75 4.13 4.63 2z9lB1 VAL 68 HB -0.17 0.04 0.10 -0.04 2.12 2.05 2z9lB1 VAL 68 HG13 -0.28 -0.00 -0.20 -0.04 0.97 0.45 2z9lB1 VAL 68 HG23 -0.10 -0.00 -0.18 -0.04 0.95 0.63 2z9lB1 GLN 69 H -0.09 0.62 0.27 -0.55 8.47 8.72 2z9lB1 GLN 69 HA -0.11 0.24 0.87 -0.75 4.36 4.60 2z9lB1 GLN 69 HB2 -0.04 -0.04 -0.07 -0.04 2.15 1.96 2z9lB1 GLN 69 HB3 -0.03 0.11 -0.46 -0.04 2.02 1.60 2z9lB1 GLN 69 HG2 -0.04 -0.01 -0.47 -0.04 2.40 1.84 2z9lB1 GLN 69 HG3 -0.04 -0.06 -0.71 -0.04 2.39 1.54 2z9lB1 GLN 69 HE21 -0.01 -0.07 -0.07 -0.04 6.97 6.78 2z9lB1 GLN 69 HE22 -0.02 0.20 -0.19 -0.04 7.69 7.64 2z9lB1 ALA 70 H -0.11 0.70 0.07 -0.55 8.40 8.52 2z9lB1 ALA 70 HA 0.00 0.16 0.76 -0.75 4.34 4.50 2z9lB1 ALA 70 HB3 -0.04 0.00 0.06 -0.04 1.41 1.39 2z9lB1 GLY 71 H 0.02 0.28 0.04 -0.55 8.43 8.23 2z9lB1 GLY 71 HA2 0.03 0.07 0.30 -0.51 4.01 3.90 2z9lB1 GLY 71 HA3 0.03 0.02 0.63 -0.51 4.01 4.17 2z9lB1 ASN 72 H 0.01 0.12 0.19 -0.55 8.53 8.30 2z9lB1 ASN 72 HA -0.00 0.23 0.72 -0.75 4.76 4.95 2z9lB1 ASN 72 HB2 0.00 0.01 0.09 -0.04 2.88 2.94 2z9lB1 ASN 72 HB3 0.01 -0.01 -0.02 -0.04 2.79 2.73 2z9lB1 ASN 72 HD21 0.01 -0.02 -0.04 -0.04 7.03 6.93 2z9lB1 ASN 72 HD22 0.00 0.00 -0.02 -0.04 7.74 7.69 2z9lB1 VAL 73 H -0.00 0.20 -0.03 -0.55 8.24 7.86 2z9lB1 VAL 73 HA -0.01 0.03 0.58 -0.75 4.13 3.98 2z9lB1 VAL 73 HB -0.00 0.21 0.19 -0.04 2.12 2.48 2z9lB1 VAL 73 HG13 -0.01 0.02 -0.11 -0.04 0.97 0.82 2z9lB1 VAL 73 HG23 0.01 -0.05 0.06 -0.04 0.95 0.93 2z9lB1 GLN 74 H -0.03 0.08 0.17 -0.55 8.47 8.15 2z9lB1 GLN 74 HA -0.07 0.28 0.64 -0.75 4.36 4.46 2z9lB1 GLN 74 HB2 -0.03 0.01 0.05 -0.04 2.15 2.14 2z9lB1 GLN 74 HB3 -0.03 -0.09 0.11 -0.04 2.02 1.96 2z9lB1 GLN 74 HG2 -0.05 -0.07 -0.45 -0.04 2.40 1.79 2z9lB1 GLN 74 HG3 -0.05 0.13 0.07 -0.04 2.39 2.50 2z9lB1 GLN 74 HE21 -0.00 -0.03 -0.01 -0.04 6.97 6.89 2z9lB1 GLN 74 HE22 -0.01 0.09 0.03 -0.04 7.69 7.76 2z9lB1 LEU 75 H -0.14 0.78 0.28 -0.55 8.37 8.75 2z9lB1 LEU 75 HA -0.14 0.09 0.79 -0.75 4.35 4.34 2z9lB1 LEU 75 HB2 -0.34 -0.00 -0.05 -0.04 1.64 1.20 2z9lB1 LEU 75 HB3 -0.34 -0.03 -0.13 -0.04 1.64 1.10 2z9lB1 LEU 75 HG -0.54 -0.01 -0.11 -0.04 1.64 0.94 2z9lB1 LEU 75 HD13 -0.23 0.06 -0.33 -0.04 0.93 0.38 2z9lB1 LEU 75 HD23 -1.30 -0.00 -0.21 -0.04 0.89 -0.66 2z9lB1 ARG 76 H -0.07 0.12 0.09 -0.55 8.46 8.05 2z9lB1 ARG 76 HA -0.03 0.16 0.63 -0.75 4.34 4.35 2z9lB1 ARG 76 HB2 -0.01 0.04 0.04 -0.04 1.90 1.93 2z9lB1 ARG 76 HB3 -0.02 -0.07 0.16 -0.04 1.80 1.83 2z9lB1 ARG 76 HG2 0.00 -0.04 -0.43 -0.04 1.67 1.16 2z9lB1 ARG 76 HG3 0.01 0.07 -0.09 -0.04 1.67 1.62 2z9lB1 ARG 76 HD2 0.00 -0.01 -0.01 -0.04 3.22 3.16 2z9lB1 ARG 76 HD3 0.01 -0.01 -0.06 -0.04 3.22 3.11 2z9lB1 VAL 77 H -0.01 0.27 0.23 -0.55 8.24 8.18 2z9lB1 VAL 77 HA -0.05 0.20 0.98 -0.75 4.13 4.50 2z9lB1 VAL 77 HB -0.10 0.01 -0.00 -0.04 2.12 1.99 2z9lB1 VAL 77 HG13 0.00 0.02 0.10 -0.04 0.97 1.05 2z9lB1 VAL 77 HG23 0.01 -0.07 -0.03 -0.04 0.95 0.83 2z9lB1 ILE 78 H -0.02 0.60 0.27 -0.55 8.25 8.56 2z9lB1 ILE 78 HA 0.02 0.12 0.80 -0.75 4.18 4.37 2z9lB1 ILE 78 HB 0.00 -0.03 0.12 -0.04 1.89 1.94 2z9lB1 ILE 78 HG12 -0.01 0.07 -0.32 -0.04 1.49 1.19 2z9lB1 ILE 78 HG13 -0.01 -0.02 -0.31 -0.04 1.21 0.84 2z9lB1 ILE 78 HG23 0.01 0.00 -0.16 -0.04 0.93 0.74 2z9lB1 ILE 78 HD13 0.01 0.01 -0.18 -0.04 0.88 0.68 2z9lB1 GLY 79 H -0.00 0.35 0.11 -0.55 8.43 8.34 2z9lB1 GLY 79 HA2 -0.04 0.07 0.46 -0.51 4.01 4.00 2z9lB1 GLY 79 HA3 -0.05 0.06 0.40 -0.51 4.01 3.90 2z9lB1 HIS 80 H -0.27 0.31 0.23 -0.55 8.41 8.15 2z9lB1 HIS 80 HA -0.18 0.33 0.74 -0.75 4.63 4.77 2z9lB1 HIS 80 HB2 -0.30 0.01 0.08 -0.04 3.26 3.01 2z9lB1 HIS 80 HB3 -0.28 0.06 -0.09 -0.04 3.20 2.85 2z9lB1 HIS 80 HD2 0.01 -0.04 -0.30 -0.04 6.97 6.60 2z9lB1 HIS 80 HE1 0.04 -0.07 -0.13 -0.04 7.75 7.54 2z9lB1 SER 81 H -0.04 0.50 0.35 -0.55 8.46 8.73 2z9lB1 SER 81 HA -0.02 0.07 0.47 -0.75 4.49 4.26 2z9lB1 SER 81 HB2 -0.04 -0.01 0.12 -0.04 3.95 3.98 2z9lB1 SER 81 HB3 -0.08 0.12 -0.01 -0.04 3.93 3.92 2z9lB1 MET 82 H 0.00 0.18 0.18 -0.55 8.47 8.28 2z9lB1 MET 82 HA -0.02 0.29 1.12 -0.75 4.52 5.16 2z9lB1 MET 82 HB2 0.03 -0.01 -0.06 -0.04 2.15 2.08 2z9lB1 MET 82 HB3 0.03 -0.06 0.09 -0.04 2.03 2.04 2z9lB1 MET 82 HG2 0.00 -0.09 -0.24 -0.04 2.63 2.26 2z9lB1 MET 82 HG3 -0.02 0.22 -0.05 -0.04 2.56 2.66 2z9lB1 MET 82 HE3 0.07 -0.05 -0.08 -0.04 2.10 2.00 2z9lB1 GLN 83 H -0.02 0.68 0.07 -0.55 8.47 8.66 2z9lB1 GLN 83 HA -0.00 0.08 0.74 -0.75 4.36 4.43 2z9lB1 GLN 83 HB2 0.02 0.03 -0.11 -0.04 2.15 2.04 2z9lB1 GLN 83 HB3 0.02 -0.01 -0.05 -0.04 2.02 1.94 2z9lB1 GLN 83 HG2 0.00 0.18 -0.25 -0.04 2.40 2.30 2z9lB1 GLN 83 HG3 0.01 -0.04 -0.04 -0.04 2.39 2.27 2z9lB1 GLN 83 HE21 0.07 -0.02 -0.02 -0.04 6.97 6.96 2z9lB1 GLN 83 HE22 0.03 -0.01 -0.01 -0.04 7.69 7.65 2z9lB1 ASN 84 H -0.01 0.13 0.04 -0.55 8.53 8.14 2z9lB1 ASN 84 HA -0.01 0.02 0.32 -0.75 4.76 4.33 2z9lB1 ASN 84 HB2 -0.05 0.20 0.03 -0.04 2.88 3.01 2z9lB1 ASN 84 HB3 -0.03 0.06 0.03 -0.04 2.79 2.80 2z9lB1 ASN 84 HD21 -0.02 -0.05 -0.05 -0.04 7.03 6.87 2z9lB1 ASN 84 HD22 -0.04 0.45 -0.07 -0.04 7.74 8.04 2z9lB1 CYS 85 H -0.07 0.41 0.34 -0.55 8.50 8.63 2z9lB1 CYS 85 HA -0.09 0.16 0.81 -0.75 4.58 4.70 2z9lB1 CYS 85 HB2 -0.23 0.09 0.19 -0.04 2.97 2.98 2z9lB1 CYS 85 HB3 0.02 -0.10 0.24 -0.04 2.97 3.09 2z9lB1 LEU 86 H -0.04 0.53 -0.38 -0.55 8.37 7.93 2z9lB1 LEU 86 HA -0.04 0.17 1.13 -0.75 4.35 4.85 2z9lB1 LEU 86 HB2 -0.03 0.09 -0.08 -0.04 1.64 1.58 2z9lB1 LEU 86 HB3 0.00 0.09 -0.16 -0.04 1.64 1.54 2z9lB1 LEU 86 HG -0.06 0.05 -0.17 -0.04 1.64 1.42 2z9lB1 LEU 86 HD13 0.04 -0.00 -0.28 -0.04 0.93 0.64 2z9lB1 LEU 86 HD23 -0.09 -0.02 -0.24 -0.04 0.89 0.51 2z9lB1 LEU 87 H -0.09 0.71 0.31 -0.55 8.37 8.76 2z9lB1 LEU 87 HA -0.08 0.17 0.91 -0.75 4.35 4.60 2z9lB1 LEU 87 HB2 -0.10 0.01 -0.13 -0.04 1.64 1.37 2z9lB1 LEU 87 HB3 -0.19 0.01 -0.13 -0.04 1.64 1.29 2z9lB1 LEU 87 HG -0.04 -0.03 -0.07 -0.04 1.64 1.46 2z9lB1 LEU 87 HD13 0.06 -0.00 -0.12 -0.04 0.93 0.83 2z9lB1 LEU 87 HD23 -0.32 0.01 -0.10 -0.04 0.89 0.45 2z9lB1 ARG 88 H -0.13 0.64 0.29 -0.55 8.46 8.71 2z9lB1 ARG 88 HA -0.38 0.27 0.94 -0.75 4.34 4.41 2z9lB1 ARG 88 HB2 -0.14 -0.06 0.05 -0.04 1.90 1.71 2z9lB1 ARG 88 HB3 -0.28 0.01 -0.06 -0.04 1.80 1.42 2z9lB1 ARG 88 HG2 -0.15 0.06 -0.21 -0.04 1.67 1.34 2z9lB1 ARG 88 HG3 -0.06 -0.05 -0.37 -0.04 1.67 1.15 2z9lB1 ARG 88 HD2 0.06 -0.01 -0.17 -0.04 3.22 3.06 2z9lB1 ARG 88 HD3 -0.03 -0.03 -0.19 -0.04 3.22 2.94 2z9lB1 LEU 89 H -0.29 0.80 0.28 -0.55 8.37 8.61 2z9lB1 LEU 89 HA -0.21 0.22 1.17 -0.75 4.35 4.77 2z9lB1 LEU 89 HB2 -0.24 -0.06 0.09 -0.04 1.64 1.39 2z9lB1 LEU 89 HB3 -0.28 0.06 0.01 -0.04 1.64 1.39 2z9lB1 LEU 89 HG -0.36 -0.03 -0.30 -0.04 1.64 0.91 2z9lB1 LEU 89 HD13 -0.29 0.00 -0.18 -0.04 0.93 0.42 2z9lB1 LEU 89 HD23 -1.00 0.01 -0.12 -0.04 0.89 -0.26 2z9lB1 LYS 90 H -0.10 0.54 0.14 -0.55 8.42 8.45 2z9lB1 LYS 90 HA -0.06 0.27 0.85 -0.75 4.32 4.63 2z9lB1 LYS 90 HB2 -0.06 -0.04 -0.02 -0.04 1.87 1.71 2z9lB1 LYS 90 HB3 -0.04 -0.14 0.04 -0.04 1.79 1.61 2z9lB1 LYS 90 HG2 -0.01 0.08 -0.19 -0.04 1.46 1.30 2z9lB1 LYS 90 HG3 -0.01 0.08 0.05 -0.04 1.46 1.55 2z9lB1 LYS 90 HD2 -0.02 -0.04 -0.07 -0.04 1.69 1.52 2z9lB1 LYS 90 HD3 -0.02 -0.01 -0.15 -0.04 1.68 1.46 2z9lB1 LYS 90 HE2 -0.00 -0.04 -0.05 -0.04 2.99 2.86 2z9lB1 LYS 90 HE3 0.00 0.03 -0.08 -0.04 2.99 2.90 2z9lB1 VAL 91 H -0.00 0.62 0.27 -0.55 8.24 8.58 2z9lB1 VAL 91 HA -0.06 0.21 1.11 -0.75 4.13 4.63 2z9lB1 VAL 91 HB -0.14 -0.09 -0.01 -0.04 2.12 1.83 2z9lB1 VAL 91 HG13 -0.23 0.01 -0.36 -0.04 0.97 0.35 2z9lB1 VAL 91 HG23 -0.03 0.05 -0.13 -0.04 0.95 0.81 2z9lB1 ASP 92 H -0.02 0.58 0.27 -0.55 8.40 8.68 2z9lB1 ASP 92 HA 0.02 0.10 0.52 -0.75 4.63 4.52 2z9lB1 ASP 92 HB2 0.01 -0.02 0.16 -0.04 2.71 2.82 2z9lB1 ASP 92 HB3 0.00 0.03 0.09 -0.04 2.70 2.78 2z9lB1 THR 93 H 0.08 0.17 -0.50 -0.55 8.28 7.48 2z9lB1 THR 93 HA 0.11 0.13 0.72 -0.75 4.39 4.60 2z9lB1 THR 93 HB 0.08 -0.00 -0.19 -0.04 4.32 4.16 2z9lB1 THR 93 HG23 0.18 -0.01 -0.16 -0.04 1.22 1.20 2z9lB1 SER 94 H 0.14 0.11 0.08 -0.55 8.46 8.24 2z9lB1 SER 94 HA 0.21 0.32 0.60 -0.75 4.49 4.87 2z9lB1 SER 94 HB2 0.05 -0.02 -0.09 -0.04 3.95 3.85 2z9lB1 SER 94 HB3 0.03 -0.01 0.01 -0.04 3.93 3.91 2z9lB1 ASN 95 H -0.44 0.40 0.17 -0.55 8.53 8.12 2z9lB1 ASN 95 HA -1.01 0.18 0.74 -0.75 4.76 3.92 2z9lB1 ASN 95 HB2 -4.07 0.07 0.01 -0.04 2.88 -1.15 2z9lB1 ASN 95 HB3 -1.15 -0.14 0.18 -0.04 2.79 1.64 2z9lB1 ASN 95 HD21 -0.31 0.31 0.13 -0.04 7.03 7.12 2z9lB1 ASN 95 HD22 -0.60 0.46 0.17 -0.04 7.74 7.74 2z9lB1 PRO 96 HA -0.12 0.08 0.47 -0.51 4.44 4.36 2z9lB1 PRO 96 HB2 -0.06 0.02 0.06 -0.04 2.28 2.25 2z9lB1 PRO 96 HB3 -0.06 0.01 0.10 -0.04 2.02 2.03 2z9lB1 PRO 96 HG2 -0.10 0.04 0.05 -0.04 2.03 1.97 2z9lB1 PRO 96 HG3 -0.04 0.03 0.09 -0.04 2.03 2.06 2z9lB1 PRO 96 HD2 -0.34 0.09 0.29 -0.04 3.68 3.69 2z9lB1 PRO 96 HD3 -0.13 0.38 0.32 -0.04 3.65 4.19 2z9lB1 LYS 97 H -0.27 0.12 -0.24 -0.55 8.42 7.48 2z9lB1 LYS 97 HA -0.08 0.13 0.69 -0.75 4.32 4.30 2z9lB1 LYS 97 HB2 -0.15 0.23 0.09 -0.04 1.87 2.00 2z9lB1 LYS 97 HB3 -0.07 -0.04 0.14 -0.04 1.79 1.78 2z9lB1 LYS 97 HG2 -0.05 -0.02 -0.03 -0.04 1.46 1.33 2z9lB1 LYS 97 HG3 -0.08 -0.06 -0.02 -0.04 1.46 1.26 2z9lB1 LYS 97 HD2 -0.02 0.09 0.07 -0.04 1.69 1.79 2z9lB1 LYS 97 HD3 -0.02 -0.04 0.07 -0.04 1.68 1.65 2z9lB1 LYS 97 HE2 0.01 -0.01 0.00 -0.04 2.99 2.95 2z9lB1 LYS 97 HE3 -0.01 -0.03 -0.00 -0.04 2.99 2.91 2z9lB1 THR 98 H -0.22 0.21 -0.41 -0.55 8.28 7.31 2z9lB1 THR 98 HA -0.13 0.11 0.43 -0.75 4.39 4.05 2z9lB1 THR 98 HB -0.09 -0.00 0.17 -0.04 4.32 4.36 2z9lB1 THR 98 HG23 -0.00 0.04 -0.02 -0.04 1.22 1.20 2z9lB1 PRO 99 HA 0.02 0.09 0.63 -0.51 4.44 4.67 2z9lB1 PRO 99 HB2 0.02 0.07 0.16 -0.04 2.28 2.49 2z9lB1 PRO 99 HB3 -0.01 0.02 0.15 -0.04 2.02 2.14 2z9lB1 PRO 99 HG2 0.11 -0.03 -0.17 -0.04 2.03 1.91 2z9lB1 PRO 99 HG3 0.01 0.03 -0.02 -0.04 2.03 2.01 2z9lB1 PRO 99 HD2 0.01 -0.04 0.16 -0.04 3.68 3.77 2z9lB1 PRO 99 HD3 -0.02 0.30 0.24 -0.04 3.65 4.14 2z9lB1 LYS 100 H 0.04 0.15 0.22 -0.55 8.42 8.27 2z9lB1 LYS 100 HA 0.03 0.05 0.54 -0.75 4.32 4.19 2z9lB1 LYS 100 HB2 0.01 0.08 0.16 -0.04 1.87 2.09 2z9lB1 LYS 100 HB3 -0.01 -0.04 0.01 -0.04 1.79 1.70 2z9lB1 LYS 100 HG2 -0.02 0.03 0.07 -0.04 1.46 1.50 2z9lB1 LYS 100 HG3 0.00 0.02 0.06 -0.04 1.46 1.50 2z9lB1 LYS 100 HD2 -0.01 0.00 0.01 -0.04 1.69 1.65 2z9lB1 LYS 100 HD3 0.01 -0.04 -0.02 -0.04 1.68 1.59 2z9lB1 LYS 100 HE2 -0.03 -0.00 -0.04 -0.04 2.99 2.87 2z9lB1 LYS 100 HE3 -0.05 0.03 0.01 -0.04 2.99 2.94 2z9lB1 TYR 101 H -0.21 0.21 0.25 -0.55 8.29 8.00 2z9lB1 TYR 101 HA -0.04 0.13 0.83 -0.75 4.56 4.73 2z9lB1 TYR 101 HB2 0.23 -0.00 0.12 -0.04 3.06 3.37 2z9lB1 TYR 101 HB3 0.13 0.08 -0.37 -0.04 2.98 2.78 2z9lB1 TYR 101 HD2 0.03 0.18 -0.17 -0.04 7.15 7.14 2z9lB1 TYR 101 HE2 -0.47 -0.03 -0.09 -0.04 6.85 6.22 2z9lB1 LYS 102 H 0.19 0.63 0.45 -0.55 8.42 9.14 2z9lB1 LYS 102 HA -0.22 0.10 0.48 -0.75 4.32 3.92 2z9lB1 LYS 102 HB2 -0.05 0.00 0.12 -0.04 1.87 1.90 2z9lB1 LYS 102 HB3 -0.14 0.11 0.04 -0.04 1.79 1.75 2z9lB1 LYS 102 HG2 -0.02 -0.00 -0.18 -0.04 1.46 1.21 2z9lB1 LYS 102 HG3 0.02 -0.03 -0.24 -0.04 1.46 1.17 2z9lB1 LYS 102 HD2 -0.03 0.02 -0.08 -0.04 1.69 1.55 2z9lB1 LYS 102 HD3 -0.07 0.02 -0.11 -0.04 1.68 1.48 2z9lB1 LYS 102 HE2 -0.04 -0.01 -0.09 -0.04 2.99 2.81 2z9lB1 LYS 102 HE3 -0.05 -0.00 -0.15 -0.04 2.99 2.74 2z9lB1 PHE 103 H 0.06 0.19 0.16 -0.55 8.34 8.19 2z9lB1 PHE 103 HA 0.13 0.26 0.94 -0.75 4.62 5.21 2z9lB1 PHE 103 HB2 0.03 -0.01 0.11 -0.04 3.15 3.23 2z9lB1 PHE 103 HB3 0.01 -0.08 -0.06 -0.04 3.06 2.89 2z9lB1 PHE 103 HD2 0.12 0.02 -0.20 -0.04 7.28 7.18 2z9lB1 PHE 103 HE2 -0.30 0.03 -0.07 -0.04 7.38 7.00 2z9lB1 PHE 103 HZ -0.98 0.04 -0.07 -0.04 7.32 6.27 2z9lB1 VAL 104 H 0.17 0.84 0.31 -0.55 8.24 9.00 2z9lB1 VAL 104 HA 0.08 0.14 0.86 -0.75 4.13 4.46 2z9lB1 VAL 104 HB 0.06 0.03 -0.17 -0.04 2.12 2.01 2z9lB1 VAL 104 HG13 0.04 -0.03 -0.38 -0.04 0.97 0.56 2z9lB1 VAL 104 HG23 0.03 -0.01 -0.27 -0.04 0.95 0.66 2z9lB1 ARG 105 H 0.07 0.20 0.10 -0.55 8.46 8.27 2z9lB1 ARG 105 HA 0.17 0.17 0.92 -0.75 4.34 4.84 2z9lB1 ARG 105 HB2 -0.00 -0.06 0.04 -0.04 1.90 1.84 2z9lB1 ARG 105 HB3 0.05 -0.02 0.16 -0.04 1.80 1.95 2z9lB1 ARG 105 HG2 0.17 0.12 -0.17 -0.04 1.67 1.74 2z9lB1 ARG 105 HG3 -0.08 0.02 0.06 -0.04 1.67 1.62 2z9lB1 ARG 105 HD2 -0.13 -0.07 -0.00 -0.04 3.22 2.98 2z9lB1 ARG 105 HD3 -0.01 -0.03 -0.01 -0.04 3.22 3.12 2z9lB1 ILE 106 H 0.29 0.19 0.07 -0.55 8.25 8.26 2z9lB1 ILE 106 HA 0.08 0.12 0.60 -0.75 4.18 4.23 2z9lB1 ILE 106 HB 0.03 -0.01 0.04 -0.04 1.89 1.91 2z9lB1 ILE 106 HG12 -0.15 0.05 -0.04 -0.04 1.49 1.30 2z9lB1 ILE 106 HG13 -0.13 0.00 -0.27 -0.04 1.21 0.76 2z9lB1 ILE 106 HG23 0.01 0.02 -0.16 -0.04 0.93 0.76 2z9lB1 ILE 106 HD13 -0.02 0.00 -0.23 -0.04 0.88 0.60 2z9lB1 GLN 107 H 0.06 0.07 0.15 -0.55 8.47 8.20 2z9lB1 GLN 107 HA 0.14 0.21 0.77 -0.75 4.36 4.72 2z9lB1 GLN 107 HB2 0.05 -0.09 0.09 -0.04 2.15 2.17 2z9lB1 GLN 107 HB3 0.06 0.11 0.06 -0.04 2.02 2.22 2z9lB1 GLN 107 HG2 0.07 -0.00 -0.03 -0.04 2.40 2.39 2z9lB1 GLN 107 HG3 0.07 -0.04 0.02 -0.04 2.39 2.39 2z9lB1 GLN 107 HE21 0.09 -0.01 -0.02 -0.04 6.97 7.00 2z9lB1 GLN 107 HE22 0.08 0.01 -0.07 -0.04 7.69 7.67 2z9lB1 PRO 108 HA -0.07 0.09 0.32 -0.51 4.44 4.26 2z9lB1 PRO 108 HB2 -0.08 -0.06 0.05 -0.04 2.28 2.15 2z9lB1 PRO 108 HB3 -0.21 0.14 0.00 -0.04 2.02 1.91 2z9lB1 PRO 108 HG2 -0.20 0.05 0.12 -0.04 2.03 1.96 2z9lB1 PRO 108 HG3 -0.44 0.07 0.07 -0.04 2.03 1.69 2z9lB1 PRO 108 HD2 0.07 0.05 0.22 -0.04 3.68 3.98 2z9lB1 PRO 108 HD3 0.18 0.19 0.23 -0.04 3.65 4.21 2z9lB1 GLY 109 H -0.06 0.77 0.20 -0.55 8.43 8.80 2z9lB1 GLY 109 HA2 -0.06 -0.02 0.37 -0.51 4.01 3.78 2z9lB1 GLY 109 HA3 -0.04 0.07 0.73 -0.51 4.01 4.26 2z9lB1 GLN 110 H -0.00 0.47 -0.20 -0.55 8.47 8.20 2z9lB1 GLN 110 HA 0.00 0.02 0.62 -0.75 4.36 4.25 2z9lB1 GLN 110 HB2 0.04 0.02 0.03 -0.04 2.15 2.21 2z9lB1 GLN 110 HB3 0.02 0.01 0.11 -0.04 2.02 2.12 2z9lB1 GLN 110 HG2 0.01 -0.06 -0.08 -0.04 2.40 2.23 2z9lB1 GLN 110 HG3 0.03 0.40 0.08 -0.04 2.39 2.86 2z9lB1 GLN 110 HE21 -0.03 0.02 0.00 -0.04 6.97 6.92 2z9lB1 GLN 110 HE22 -0.03 -0.03 0.02 -0.04 7.69 7.62 2z9lB1 THR 111 H 0.01 0.06 0.21 -0.55 8.28 8.02 2z9lB1 THR 111 HA -0.15 0.28 1.22 -0.75 4.39 4.99 2z9lB1 THR 111 HB -0.16 0.07 0.14 -0.04 4.32 4.33 2z9lB1 THR 111 HG23 -0.15 0.03 -0.20 -0.04 1.22 0.86 2z9lB1 PHE 112 H -0.39 0.59 0.36 -0.55 8.34 8.35 2z9lB1 PHE 112 HA -0.07 0.09 0.56 -0.75 4.62 4.44 2z9lB1 PHE 112 HB2 -0.13 0.03 -0.02 -0.04 3.15 2.99 2z9lB1 PHE 112 HB3 -0.08 0.12 -0.28 -0.04 3.06 2.78 2z9lB1 PHE 112 HD2 -0.14 0.07 -0.48 -0.04 7.28 6.70 2z9lB1 PHE 112 HE2 -0.27 -0.01 -0.30 -0.04 7.38 6.76 2z9lB1 PHE 112 HZ -0.71 -0.01 -0.30 -0.04 7.32 6.26 2z9lB1 SER 113 H -0.22 0.80 0.45 -0.55 8.46 8.94 2z9lB1 SER 113 HA -0.26 0.19 0.96 -0.75 4.49 4.63 2z9lB1 SER 113 HB2 -1.40 0.03 0.13 -0.04 3.95 2.67 2z9lB1 SER 113 HB3 -0.34 0.09 0.05 -0.04 3.93 3.68 2z9lB1 VAL 114 H -0.36 0.80 0.45 -0.55 8.24 8.59 2z9lB1 VAL 114 HA 0.12 0.32 1.07 -0.75 4.13 4.88 2z9lB1 VAL 114 HB -1.13 -0.02 0.06 -0.04 2.12 1.00 2z9lB1 VAL 114 HG13 -0.01 -0.02 -0.33 -0.04 0.97 0.57 2z9lB1 VAL 114 HG23 0.05 -0.01 -0.28 -0.04 0.95 0.68 2z9lB1 LEU 115 H 0.23 0.56 0.18 -0.55 8.37 8.79 2z9lB1 LEU 115 HA 0.07 0.23 1.03 -0.75 4.35 4.92 2z9lB1 LEU 115 HB2 0.25 -0.04 0.02 -0.04 1.64 1.82 2z9lB1 LEU 115 HB3 0.14 -0.02 0.21 -0.04 1.64 1.93 2z9lB1 LEU 115 HG 0.07 0.04 -0.26 -0.04 1.64 1.45 2z9lB1 LEU 115 HD13 0.09 0.02 -0.08 -0.04 0.93 0.92 2z9lB1 LEU 115 HD23 0.02 -0.00 -0.10 -0.04 0.89 0.76 2z9lB1 ALA 116 H 0.00 0.37 0.12 -0.55 8.40 8.35 2z9lB1 ALA 116 HA 0.19 0.00 0.53 -0.75 4.34 4.30 2z9lB1 ALA 116 HB3 0.14 -0.00 0.11 -0.04 1.41 1.62 2z9lB1 CYS 117 H -0.12 0.20 0.32 -0.55 8.50 8.35 2z9lB1 CYS 117 HA -0.01 0.26 0.99 -0.75 4.58 5.07 2z9lB1 CYS 117 HB2 -0.06 -0.03 -0.04 -0.04 2.97 2.80 2z9lB1 CYS 117 HB3 -0.02 -0.05 -0.23 -0.04 2.97 2.63 2z9lB1 TYR 118 H 0.09 0.63 0.19 -0.55 8.29 8.65 2z9lB1 TYR 118 HA 0.05 0.28 0.69 -0.75 4.56 4.82 2z9lB1 TYR 118 HB2 0.05 0.02 -0.01 -0.04 3.06 3.08 2z9lB1 TYR 118 HB3 0.05 0.01 -0.04 -0.04 2.98 2.96 2z9lB1 TYR 118 HD2 0.07 0.02 -0.22 -0.04 7.15 6.98 2z9lB1 TYR 118 HE2 0.11 0.04 -0.26 -0.04 6.85 6.70 2z9lB1 ASN 119 H 0.11 0.27 0.08 -0.55 8.53 8.45 2z9lB1 ASN 119 HA 0.05 0.05 0.27 -0.75 4.76 4.38 2z9lB1 ASN 119 HB2 0.09 0.19 -0.10 -0.04 2.88 3.01 2z9lB1 ASN 119 HB3 0.05 0.02 0.16 -0.04 2.79 2.99 2z9lB1 ASN 119 HD21 0.07 0.00 -0.09 -0.04 7.03 6.97 2z9lB1 ASN 119 HD22 0.10 0.05 -0.25 -0.04 7.74 7.61 2z9lB1 GLY 120 H 0.02 0.03 -0.47 -0.55 8.43 7.47 2z9lB1 GLY 120 HA2 0.01 0.08 0.08 -0.51 4.01 3.67 2z9lB1 GLY 120 HA3 0.02 0.07 0.06 -0.51 4.01 3.64 2z9lB1 SER 121 H 0.07 0.51 -0.48 -0.55 8.46 8.00 2z9lB1 SER 121 HA 0.05 0.27 1.01 -0.75 4.49 5.06 2z9lB1 SER 121 HB2 0.05 0.01 -0.08 -0.04 3.95 3.89 2z9lB1 SER 121 HB3 0.08 0.04 0.03 -0.04 3.93 4.04 2z9lB1 PRO 122 HA 0.06 0.05 0.44 -0.51 4.44 4.48 2z9lB1 PRO 122 HB2 0.06 0.01 0.11 -0.04 2.28 2.41 2z9lB1 PRO 122 HB3 0.06 -0.04 -0.01 -0.04 2.02 1.99 2z9lB1 PRO 122 HG2 0.04 0.01 0.09 -0.04 2.03 2.12 2z9lB1 PRO 122 HG3 0.04 0.04 0.06 -0.04 2.03 2.13 2z9lB1 PRO 122 HD2 0.05 0.09 0.23 -0.04 3.68 4.00 2z9lB1 PRO 122 HD3 0.05 0.33 0.25 -0.04 3.65 4.24 2z9lB1 SER 123 H 0.10 0.65 0.42 -0.55 8.46 9.08 2z9lB1 SER 123 HA 0.12 0.17 0.92 -0.75 4.49 4.95 2z9lB1 SER 123 HB2 0.34 -0.00 -0.05 -0.04 3.95 4.19 2z9lB1 SER 123 HB3 0.23 0.09 0.03 -0.04 3.93 4.25 2z9lB1 GLY 124 H 0.11 0.34 0.29 -0.55 8.43 8.62 2z9lB1 GLY 124 HA2 0.08 0.09 0.49 -0.51 4.01 4.16 2z9lB1 GLY 124 HA3 0.11 0.06 0.32 -0.51 4.01 3.99 2z9lB1 VAL 125 H 0.08 0.25 0.21 -0.55 8.24 8.24 2z9lB1 VAL 125 HA -0.01 0.36 1.26 -0.75 4.13 4.98 2z9lB1 VAL 125 HB 0.10 -0.04 -0.04 -0.04 2.12 2.10 2z9lB1 VAL 125 HG13 0.07 -0.02 0.04 -0.04 0.97 1.02 2z9lB1 VAL 125 HG23 0.09 0.03 -0.07 -0.04 0.95 0.95 2z9lB1 TYR 126 H -0.34 0.55 0.39 -0.55 8.29 8.35 2z9lB1 TYR 126 HA -0.08 0.14 0.58 -0.75 4.56 4.45 2z9lB1 TYR 126 HB2 -0.14 0.03 0.12 -0.04 3.06 3.03 2z9lB1 TYR 126 HB3 -0.09 0.09 -0.05 -0.04 2.98 2.89 2z9lB1 TYR 126 HD2 -0.17 0.05 -0.34 -0.04 7.15 6.65 2z9lB1 TYR 126 HE2 -0.34 0.06 -0.09 -0.04 6.85 6.44 2z9lB1 GLN 127 H 0.00 0.22 0.11 -0.55 8.47 8.26 2z9lB1 GLN 127 HA -0.22 0.17 0.99 -0.75 4.36 4.55 2z9lB1 GLN 127 HB2 -0.16 -0.01 -0.35 -0.04 2.15 1.59 2z9lB1 GLN 127 HB3 -0.18 -0.04 -0.05 -0.04 2.02 1.71 2z9lB1 GLN 127 HG2 -0.27 -0.01 -0.03 -0.04 2.40 2.05 2z9lB1 GLN 127 HG3 -0.28 0.05 -0.10 -0.04 2.39 2.02 2z9lB1 GLN 127 HE21 -0.10 -0.07 -0.07 -0.04 6.97 6.69 2z9lB1 GLN 127 HE22 -0.15 -0.04 -0.01 -0.04 7.69 7.46 2z9lB1 CYS 128 H -0.46 0.59 0.36 -0.55 8.50 8.45 2z9lB1 CYS 128 HA -0.29 0.17 0.65 -0.75 4.58 4.36 2z9lB1 CYS 128 HB2 -0.28 -0.09 0.13 -0.04 2.97 2.69 2z9lB1 CYS 128 HB3 -0.13 0.11 -0.21 -0.04 2.97 2.70 2z9lB1 ALA 129 H -0.29 0.19 0.17 -0.55 8.40 7.93 2z9lB1 ALA 129 HA -0.26 0.29 1.02 -0.75 4.34 4.64 2z9lB1 ALA 129 HB3 -0.17 0.00 -0.11 -0.04 1.41 1.09 2z9lB1 MET 130 H -0.04 0.65 0.16 -0.55 8.47 8.70 2z9lB1 MET 130 HA 0.00 0.09 0.45 -0.75 4.52 4.31 2z9lB1 MET 130 HB2 0.09 0.01 -0.06 -0.04 2.15 2.16 2z9lB1 MET 130 HB3 -0.01 -0.07 0.14 -0.04 2.03 2.05 2z9lB1 MET 130 HG2 -0.10 0.03 -0.31 -0.04 2.63 2.21 2z9lB1 MET 130 HG3 -0.07 0.03 -0.17 -0.04 2.56 2.31 2z9lB1 MET 130 HE3 -0.82 -0.01 -0.16 -0.04 2.10 1.07 2z9lB1 ARG 131 H -0.02 0.64 0.27 -0.55 8.46 8.80 2z9lB1 ARG 131 HA -0.07 0.12 0.47 -0.75 4.34 4.10 2z9lB1 ARG 131 HB2 0.01 -0.15 0.04 -0.04 1.90 1.75 2z9lB1 ARG 131 HB3 -0.03 -0.02 0.14 -0.04 1.80 1.84 2z9lB1 ARG 131 HG2 -0.03 0.15 0.04 -0.04 1.67 1.78 2z9lB1 ARG 131 HG3 -0.03 -0.03 -0.08 -0.04 1.67 1.49 2z9lB1 ARG 131 HD2 -0.09 0.03 -0.14 -0.04 3.22 2.97 2z9lB1 ARG 131 HD3 -0.09 -0.03 -0.01 -0.04 3.22 3.06 2z9lB1 PRO 132 HA -0.12 0.08 0.46 -0.51 4.44 4.35 2z9lB1 PRO 132 HB2 -0.03 0.01 0.13 -0.04 2.28 2.35 2z9lB1 PRO 132 HB3 -0.04 0.05 0.09 -0.04 2.02 2.08 2z9lB1 PRO 132 HG2 -0.06 0.14 -0.04 -0.04 2.03 2.02 2z9lB1 PRO 132 HG3 -0.06 -0.00 -0.00 -0.04 2.03 1.92 2z9lB1 PRO 132 HD2 -0.05 0.09 0.27 -0.04 3.68 3.95 2z9lB1 PRO 132 HD3 -0.08 0.13 0.23 -0.04 3.65 3.89 2z9lB1 ASN 133 H -0.01 0.07 -0.24 -0.55 8.53 7.81 2z9lB1 ASN 133 HA 0.08 0.20 0.52 -0.75 4.76 4.80 2z9lB1 ASN 133 HB2 0.14 -0.13 0.03 -0.04 2.88 2.89 2z9lB1 ASN 133 HB3 0.06 0.24 -0.34 -0.04 2.79 2.70 2z9lB1 ASN 133 HD21 0.06 -0.03 -0.14 -0.04 7.03 6.87 2z9lB1 ASN 133 HD22 0.08 0.43 -0.36 -0.04 7.74 7.84 2z9lB1 HIS 134 H -0.12 0.49 -0.79 -0.55 8.41 7.44 2z9lB1 HIS 134 HA 0.13 0.08 0.21 -0.75 4.63 4.29 2z9lB1 HIS 134 HB2 0.24 0.21 -0.14 -0.04 3.26 3.52 2z9lB1 HIS 134 HB3 0.33 -0.01 -0.17 -0.04 3.20 3.31 2z9lB1 HIS 134 HD2 0.26 0.00 0.01 -0.04 6.97 7.19 2z9lB1 HIS 134 HE1 0.06 -0.01 0.04 -0.04 7.75 7.79 2z9lB1 THR 135 H 0.16 -0.08 -0.38 -0.55 8.28 7.43 2z9lB1 THR 135 HA 0.20 0.33 0.89 -0.75 4.39 5.06 2z9lB1 THR 135 HB 0.05 -0.00 0.05 -0.04 4.32 4.38 2z9lB1 THR 135 HG23 0.10 0.02 -0.16 -0.04 1.22 1.14 2z9lB1 ILE 136 H 0.15 0.50 0.35 -0.55 8.25 8.69 2z9lB1 ILE 136 HA -0.01 0.22 0.88 -0.75 4.18 4.52 2z9lB1 ILE 136 HB -0.08 0.03 -0.09 -0.04 1.89 1.70 2z9lB1 ILE 136 HG12 0.21 0.06 -0.14 -0.04 1.49 1.58 2z9lB1 ILE 136 HG13 0.23 -0.13 -0.27 -0.04 1.21 1.00 2z9lB1 ILE 136 HG23 0.01 0.02 -0.32 -0.04 0.93 0.59 2z9lB1 ILE 136 HD13 -0.00 0.01 -0.26 -0.04 0.88 0.58 2z9lB1 LYS 137 H -0.05 0.23 0.07 -0.55 8.42 8.12 2z9lB1 LYS 137 HA 0.05 0.14 0.89 -0.75 4.32 4.63 2z9lB1 LYS 137 HB2 -0.08 -0.02 0.25 -0.04 1.87 1.98 2z9lB1 LYS 137 HB3 -0.05 0.11 0.13 -0.04 1.79 1.94 2z9lB1 LYS 137 HG2 -0.03 0.05 -0.05 -0.04 1.46 1.38 2z9lB1 LYS 137 HG3 -0.04 -0.10 -0.07 -0.04 1.46 1.21 2z9lB1 LYS 137 HD2 -0.08 -0.03 0.02 -0.04 1.69 1.55 2z9lB1 LYS 137 HD3 -0.07 0.06 0.02 -0.04 1.68 1.65 2z9lB1 LYS 137 HE2 -0.04 -0.01 -0.05 -0.04 2.99 2.85 2z9lB1 LYS 137 HE3 -0.06 -0.03 -0.03 -0.04 2.99 2.83 2z9lB1 GLY 138 H 0.56 0.17 -0.08 -0.55 8.43 8.54 2z9lB1 GLY 138 HA2 -0.20 0.19 0.65 -0.51 4.01 4.14 2z9lB1 GLY 138 HA3 -0.29 -0.03 0.17 -0.51 4.01 3.35 2z9lB1 SER 139 H -0.82 0.18 -0.07 -0.55 8.46 7.21 2z9lB1 SER 139 HA -0.19 0.21 0.72 -0.75 4.49 4.48 2z9lB1 SER 139 HB2 -0.49 0.05 -0.07 -0.04 3.95 3.40 2z9lB1 SER 139 HB3 -0.59 -0.04 0.12 -0.04 3.93 3.37 2z9lB1 PHE 140 H 0.02 0.32 -0.05 -0.55 8.34 8.07 2z9lB1 PHE 140 HA 0.08 0.18 0.86 -0.75 4.62 4.98 2z9lB1 PHE 140 HB2 -0.31 -0.01 -0.11 -0.04 3.15 2.67 2z9lB1 PHE 140 HB3 0.00 0.06 -0.13 -0.04 3.06 2.95 2z9lB1 PHE 140 HD2 -0.90 0.04 -0.09 -0.04 7.28 6.29 2z9lB1 PHE 140 HE2 -0.19 -0.02 -0.15 -0.04 7.38 6.98 2z9lB1 PHE 140 HZ -0.02 0.00 -0.23 -0.04 7.32 7.03 2z9lB1 LEU 141 H 0.57 0.19 0.08 -0.55 8.37 8.66 2z9lB1 LEU 141 HA 0.21 0.19 0.81 -0.75 4.35 4.80 2z9lB1 LEU 141 HB2 0.10 0.06 -0.01 -0.04 1.64 1.75 2z9lB1 LEU 141 HB3 0.07 -0.01 0.12 -0.04 1.64 1.78 2z9lB1 LEU 141 HG 0.13 -0.07 -0.24 -0.04 1.64 1.42 2z9lB1 LEU 141 HD13 -0.09 0.01 -0.06 -0.04 0.93 0.75 2z9lB1 LEU 141 HD23 0.06 0.02 -0.03 -0.04 0.89 0.90 2z9lB1 ASN 142 H 0.14 0.13 0.13 -0.55 8.53 8.39 2z9lB1 ASN 142 HA 0.17 -0.00 0.44 -0.75 4.76 4.61 2z9lB1 ASN 142 HB2 0.09 0.01 0.15 -0.04 2.88 3.08 2z9lB1 ASN 142 HB3 0.10 0.06 0.03 -0.04 2.79 2.93 2z9lB1 ASN 142 HD21 0.06 0.02 0.04 -0.04 7.03 7.10 2z9lB1 ASN 142 HD22 0.06 0.02 0.04 -0.04 7.74 7.81 2z9lB1 GLY 143 H 0.15 0.08 0.26 -0.55 8.43 8.37 2z9lB1 GLY 143 HA2 0.13 0.12 0.48 -0.51 4.01 4.23 2z9lB1 GLY 143 HA3 0.26 0.18 0.80 -0.51 4.01 4.74 2z9lB1 SER 144 H 0.21 0.28 0.01 -0.55 8.46 8.41 2z9lB1 SER 144 HA -0.37 0.51 0.81 -0.75 4.49 4.68 2z9lB1 SER 144 HB2 -0.07 -0.10 0.17 -0.04 3.95 3.90 2z9lB1 SER 144 HB3 -0.10 -0.02 0.10 -0.04 3.93 3.86 2z9lB1 CYS 145 H 0.01 -0.05 -0.15 -0.55 8.50 7.76 2z9lB1 CYS 145 HA -0.17 0.00 0.28 -0.75 4.58 3.94 2z9lB1 CYS 145 HB2 -0.07 -0.01 0.09 -0.04 2.97 2.93 2z9lB1 CYS 145 HB3 -0.17 0.10 0.09 -0.04 2.97 2.95 2z9lB1 GLY 146 H -0.23 0.48 0.34 -0.55 8.43 8.47 2z9lB1 GLY 146 HA2 -0.22 -0.04 0.41 -0.51 4.01 3.65 2z9lB1 GLY 146 HA3 -0.15 0.30 0.83 -0.51 4.01 4.48 2z9lB1 SER 147 H -0.10 0.38 -0.03 -0.55 8.46 8.17 2z9lB1 SER 147 HA -0.00 0.10 0.49 -0.75 4.49 4.32 2z9lB1 SER 147 HB2 0.02 -0.15 0.03 -0.04 3.95 3.80 2z9lB1 SER 147 HB3 0.13 0.18 0.05 -0.04 3.93 4.25 2z9lB1 VAL 148 H 0.12 0.21 0.22 -0.55 8.24 8.24 2z9lB1 VAL 148 HA 0.15 0.23 1.18 -0.75 4.13 4.94 2z9lB1 VAL 148 HB 0.22 0.02 0.13 -0.04 2.12 2.46 2z9lB1 VAL 148 HG13 -0.09 0.03 -0.12 -0.04 0.97 0.75 2z9lB1 VAL 148 HG23 0.20 -0.02 -0.05 -0.04 0.95 1.04 2z9lB1 GLY 149 H 0.27 0.64 0.38 -0.55 8.43 9.17 2z9lB1 GLY 149 HA2 0.35 0.42 0.99 -0.51 4.01 5.25 2z9lB1 GLY 149 HA3 0.10 -0.07 0.22 -0.51 4.01 3.75 2z9lB1 PHE 150 H -0.18 0.66 0.41 -0.55 8.34 8.67 2z9lB1 PHE 150 HA -0.05 0.19 0.90 -0.75 4.62 4.90 2z9lB1 PHE 150 HB2 -0.33 0.02 -0.00 -0.04 3.15 2.79 2z9lB1 PHE 150 HB3 -0.08 0.03 -0.32 -0.04 3.06 2.65 2z9lB1 PHE 150 HD2 -0.06 0.02 -0.32 -0.04 7.28 6.88 2z9lB1 PHE 150 HE2 0.04 0.02 -0.28 -0.04 7.38 7.12 2z9lB1 PHE 150 HZ 0.06 0.01 -0.23 -0.04 7.32 7.12 2z9lB1 ASN 151 H -0.06 0.50 0.37 -0.55 8.53 8.80 2z9lB1 ASN 151 HA -0.54 0.07 0.75 -0.75 4.76 4.28 2z9lB1 ASN 151 HB2 -0.14 0.01 0.05 -0.04 2.88 2.77 2z9lB1 ASN 151 HB3 -0.25 0.02 0.03 -0.04 2.79 2.55 2z9lB1 ASN 151 HD21 0.09 0.28 0.06 -0.04 7.03 7.42 2z9lB1 ASN 151 HD22 -0.02 -0.03 -0.10 -0.04 7.74 7.55 2z9lB1 ILE 152 H -1.97 0.24 0.16 -0.55 8.25 6.13 2z9lB1 ILE 152 HA -0.27 0.33 1.06 -0.75 4.18 4.54 2z9lB1 ILE 152 HB -0.42 -0.04 0.04 -0.04 1.89 1.43 2z9lB1 ILE 152 HG12 -0.09 0.07 -0.22 -0.04 1.49 1.20 2z9lB1 ILE 152 HG13 -0.16 -0.20 -0.55 -0.04 1.21 0.26 2z9lB1 ILE 152 HG23 -0.03 0.02 -0.36 -0.04 0.93 0.52 2z9lB1 ILE 152 HD13 0.15 -0.01 -0.12 -0.04 0.88 0.86 2z9lB1 ASP 153 H -0.11 0.67 0.11 -0.55 8.40 8.51 2z9lB1 ASP 153 HA 0.01 0.13 0.82 -0.75 4.63 4.84 2z9lB1 ASP 153 HB2 -0.11 -0.02 -0.06 -0.04 2.71 2.48 2z9lB1 ASP 153 HB3 -0.13 -0.00 0.14 -0.04 2.70 2.66 2z9lB1 TYR 154 H 0.27 0.20 0.04 -0.55 8.29 8.25 2z9lB1 TYR 154 HA 0.04 0.07 0.33 -0.75 4.56 4.25 2z9lB1 TYR 154 HB2 0.01 0.27 0.23 -0.04 3.06 3.53 2z9lB1 TYR 154 HB3 0.01 -0.03 0.24 -0.04 2.98 3.16 2z9lB1 TYR 154 HD2 0.03 -0.00 0.03 -0.04 7.15 7.17 2z9lB1 TYR 154 HE2 0.03 0.02 -0.01 -0.04 6.85 6.86 2z9lB1 ASP 155 H 0.18 0.14 0.23 -0.55 8.40 8.40 2z9lB1 ASP 155 HA 0.05 0.24 0.88 -0.75 4.63 5.05 2z9lB1 ASP 155 HB2 0.04 -0.02 0.08 -0.04 2.71 2.77 2z9lB1 ASP 155 HB3 0.02 0.01 0.18 -0.04 2.70 2.88 2z9lB1 CYS 156 H 0.05 0.36 0.01 -0.55 8.50 8.38 2z9lB1 CYS 156 HA -0.00 0.24 0.72 -0.75 4.58 4.79 2z9lB1 CYS 156 HB2 0.00 -0.06 0.03 -0.04 2.97 2.90 2z9lB1 CYS 156 HB3 -0.03 0.08 0.14 -0.04 2.97 3.13 2z9lB1 VAL 157 H -0.03 0.76 0.34 -0.55 8.24 8.75 2z9lB1 VAL 157 HA -0.18 0.18 0.92 -0.75 4.13 4.30 2z9lB1 VAL 157 HB -0.23 0.06 0.13 -0.04 2.12 2.04 2z9lB1 VAL 157 HG13 -0.89 -0.02 -0.23 -0.04 0.97 -0.23 2z9lB1 VAL 157 HG23 -0.16 0.02 -0.13 -0.04 0.95 0.64 2z9lB1 SER 158 H -0.18 0.77 0.33 -0.55 8.46 8.83 2z9lB1 SER 158 HA -0.00 0.23 0.94 -0.75 4.49 4.91 2z9lB1 SER 158 HB2 -0.11 -0.05 0.10 -0.04 3.95 3.85 2z9lB1 SER 158 HB3 -0.02 -0.02 -0.08 -0.04 3.93 3.77 2z9lB1 PHE 159 H 0.27 0.60 0.33 -0.55 8.34 8.99 2z9lB1 PHE 159 HA 0.11 0.14 0.78 -0.75 4.62 4.90 2z9lB1 PHE 159 HB2 0.14 -0.04 0.17 -0.04 3.15 3.38 2z9lB1 PHE 159 HB3 -0.09 -0.00 0.04 -0.04 3.06 2.97 2z9lB1 PHE 159 HD2 0.18 0.02 -0.05 -0.04 7.28 7.39 2z9lB1 PHE 159 HE2 -0.17 0.02 -0.10 -0.04 7.38 7.09 2z9lB1 PHE 159 HZ -0.16 0.10 -0.09 -0.04 7.32 7.12 2z9lB1 CYS 160 H 0.10 0.52 0.42 -0.55 8.50 8.99 2z9lB1 CYS 160 HA 0.07 0.34 1.18 -0.75 4.58 5.42 2z9lB1 CYS 160 HB2 -0.01 -0.12 0.05 -0.04 2.97 2.85 2z9lB1 CYS 160 HB3 0.00 -0.01 -0.24 -0.04 2.97 2.68 2z9lB1 TYR 161 H 0.07 0.29 0.32 -0.55 8.29 8.42 2z9lB1 TYR 161 HA 0.05 0.46 0.93 -0.75 4.56 5.24 2z9lB1 TYR 161 HB2 -0.59 0.07 -0.36 -0.04 3.06 2.14 2z9lB1 TYR 161 HB3 -0.47 -0.13 -0.04 -0.04 2.98 2.29 2z9lB1 TYR 161 HD2 0.07 0.01 -0.31 -0.04 7.15 6.88 2z9lB1 TYR 161 HE2 0.22 -0.02 -0.26 -0.04 6.85 6.74 2z9lB1 MET 162 H -0.61 0.60 0.26 -0.55 8.47 8.17 2z9lB1 MET 162 HA -0.19 0.32 0.82 -0.75 4.52 4.72 2z9lB1 MET 162 HB2 -0.22 0.00 -0.20 -0.04 2.15 1.69 2z9lB1 MET 162 HB3 -0.18 -0.07 -0.06 -0.04 2.03 1.67 2z9lB1 MET 162 HG2 -0.33 -0.01 -0.25 -0.04 2.63 2.00 2z9lB1 MET 162 HG3 -0.20 0.16 -0.08 -0.04 2.56 2.40 2z9lB1 MET 162 HE3 -0.16 0.10 -0.11 -0.04 2.10 1.89 2z9lB1 HIS 163 H -0.11 0.68 0.13 -0.55 8.41 8.57 2z9lB1 HIS 163 HA -0.25 0.04 0.52 -0.75 4.63 4.19 2z9lB1 HIS 163 HB2 -0.15 0.02 -0.04 -0.04 3.26 3.05 2z9lB1 HIS 163 HB3 -0.36 -0.02 0.11 -0.04 3.20 2.89 2z9lB1 HIS 163 HD2 -0.61 -0.02 -0.43 -0.04 6.97 5.87 2z9lB1 HIS 163 HE1 0.31 0.25 -0.00 -0.04 7.75 8.25 2z9lB1 HIS 164 H -0.21 0.36 0.46 -0.55 8.41 8.48 2z9lB1 HIS 164 HA -0.16 0.18 1.13 -0.75 4.63 5.03 2z9lB1 HIS 164 HB2 -0.04 0.03 0.07 -0.04 3.26 3.27 2z9lB1 HIS 164 HB3 0.09 -0.02 0.01 -0.04 3.20 3.24 2z9lB1 HIS 164 HD2 0.07 -0.06 0.07 -0.04 6.97 7.01 2z9lB1 HIS 164 HE1 -0.33 -0.01 -0.16 -0.04 7.75 7.21 2z9lB1 MET 165 H -0.17 0.41 0.37 -0.55 8.47 8.53 2z9lB1 MET 165 HA -0.06 0.10 0.60 -0.75 4.52 4.41 2z9lB1 MET 165 HB2 0.00 0.05 0.12 -0.04 2.15 2.28 2z9lB1 MET 165 HB3 0.00 0.12 -0.31 -0.04 2.03 1.80 2z9lB1 MET 165 HG2 0.18 -0.08 -0.14 -0.04 2.63 2.56 2z9lB1 MET 165 HG3 0.02 -0.02 -0.31 -0.04 2.56 2.21 2z9lB1 MET 165 HE3 -0.07 -0.02 -0.08 -0.04 2.10 1.89 2z9lB1 GLU 166 H 0.08 0.25 0.18 -0.55 8.60 8.56 2z9lB1 GLU 166 HA 0.11 0.18 1.02 -0.75 4.29 4.85 2z9lB1 GLU 166 HB2 0.32 -0.05 -0.09 -0.04 2.09 2.23 2z9lB1 GLU 166 HB3 0.11 -0.02 0.06 -0.04 1.99 2.10 2z9lB1 GLU 166 HG2 -0.02 0.16 -0.15 -0.04 2.34 2.29 2z9lB1 GLU 166 HG3 -0.21 0.10 -0.13 -0.04 2.34 2.05 2z9lB1 LEU 167 H -0.10 0.63 0.26 -0.55 8.37 8.61 2z9lB1 LEU 167 HA -0.05 0.25 0.71 -0.75 4.35 4.51 2z9lB1 LEU 167 HB2 -0.10 -0.11 0.03 -0.04 1.64 1.42 2z9lB1 LEU 167 HB3 -0.06 0.02 0.07 -0.04 1.64 1.63 2z9lB1 LEU 167 HG -0.26 -0.05 -0.23 -0.04 1.64 1.07 2z9lB1 LEU 167 HD13 -0.59 -0.01 -0.22 -0.04 0.93 0.06 2z9lB1 LEU 167 HD23 -0.20 0.04 -0.19 -0.04 0.89 0.50 2z9lB1 PRO 168 HA -0.00 0.09 0.44 -0.51 4.44 4.46 2z9lB1 PRO 168 HB2 0.01 -0.06 0.16 -0.04 2.28 2.34 2z9lB1 PRO 168 HB3 0.00 0.03 0.12 -0.04 2.02 2.13 2z9lB1 PRO 168 HG2 0.01 0.30 0.16 -0.04 2.03 2.46 2z9lB1 PRO 168 HG3 0.00 0.01 0.14 -0.04 2.03 2.14 2z9lB1 PRO 168 HD2 -0.00 0.03 0.25 -0.04 3.68 3.92 2z9lB1 PRO 168 HD3 -0.01 0.14 0.24 -0.04 3.65 3.98 2z9lB1 THR 169 H -0.02 0.02 -0.19 -0.55 8.28 7.54 2z9lB1 THR 169 HA -0.01 0.16 0.53 -0.75 4.39 4.32 2z9lB1 THR 169 HB -0.02 0.04 0.11 -0.04 4.32 4.42 2z9lB1 THR 169 HG23 0.00 0.01 0.05 -0.04 1.22 1.24 2z9lB1 GLY 170 H -0.05 0.62 -0.33 -0.55 8.43 8.12 2z9lB1 GLY 170 HA2 -0.07 0.04 0.29 -0.51 4.01 3.77 2z9lB1 GLY 170 HA3 -0.05 0.13 0.64 -0.51 4.01 4.22 2z9lB1 VAL 171 H -0.13 -0.06 -0.08 -0.55 8.24 7.43 2z9lB1 VAL 171 HA -0.22 0.20 0.81 -0.75 4.13 4.17 2z9lB1 VAL 171 HB -0.03 0.00 0.04 -0.04 2.12 2.08 2z9lB1 VAL 171 HG13 -0.04 0.02 -0.13 -0.04 0.97 0.78 2z9lB1 VAL 171 HG23 -0.06 -0.03 -0.13 -0.04 0.95 0.68 2z9lB1 HIS 172 H 0.07 0.68 0.42 -0.55 8.41 9.03 2z9lB1 HIS 172 HA 0.17 0.24 1.28 -0.75 4.63 5.56 2z9lB1 HIS 172 HB2 0.29 -0.08 0.05 -0.04 3.26 3.48 2z9lB1 HIS 172 HB3 0.49 0.08 0.07 -0.04 3.20 3.80 2z9lB1 HIS 172 HD2 0.39 0.03 -0.21 -0.04 6.97 7.13 2z9lB1 HIS 172 HE1 0.03 0.32 -0.15 -0.04 7.75 7.91 2z9lB1 ALA 173 H 0.31 0.65 0.36 -0.55 8.40 9.18 2z9lB1 ALA 173 HA 0.31 0.24 1.02 -0.75 4.34 5.15 2z9lB1 ALA 173 HB3 -0.08 0.02 -0.02 -0.04 1.41 1.29 2z9lB1 GLY 174 H 0.45 0.37 0.25 -0.55 8.43 8.96 2z9lB1 GLY 174 HA2 -0.23 0.02 0.62 -0.51 4.01 3.91 2z9lB1 GLY 174 HA3 -0.29 0.10 0.41 -0.51 4.01 3.72 2z9lB1 THR 175 H -0.48 0.57 0.31 -0.55 8.28 8.13 2z9lB1 THR 175 HA -0.35 0.21 0.94 -0.75 4.39 4.44 2z9lB1 THR 175 HB -0.47 -0.12 -0.64 -0.04 4.32 3.05 2z9lB1 THR 175 HG23 -1.62 -0.00 -0.34 -0.04 1.22 -0.78 2z9lB1 ASP 176 H -0.44 0.38 0.10 -0.55 8.40 7.89 2z9lB1 ASP 176 HA -0.01 0.42 0.56 -0.75 4.63 4.84 2z9lB1 ASP 176 HB2 -0.12 -0.06 0.07 -0.04 2.71 2.56 2z9lB1 ASP 176 HB3 -0.31 0.12 0.14 -0.04 2.70 2.61 2z9lB1 LEU 177 H -0.23 0.27 -0.06 -0.55 8.37 7.80 2z9lB1 LEU 177 HA -0.43 0.19 0.42 -0.75 4.35 3.78 2z9lB1 LEU 177 HB2 -0.91 0.01 0.01 -0.04 1.64 0.71 2z9lB1 LEU 177 HB3 -2.22 0.05 0.09 -0.04 1.64 -0.47 2z9lB1 LEU 177 HG -0.79 0.02 -0.10 -0.04 1.64 0.73 2z9lB1 LEU 177 HD13 -0.72 0.03 -0.11 -0.04 0.93 0.09 2z9lB1 LEU 177 HD23 -0.22 0.02 -0.53 -0.04 0.89 0.12 2z9lB1 GLU 178 H -0.19 -0.02 -0.69 -0.55 8.60 7.16 2z9lB1 GLU 178 HA -0.02 0.27 0.72 -0.75 4.29 4.52 2z9lB1 GLU 178 HB2 -0.06 -0.07 -0.05 -0.04 2.09 1.87 2z9lB1 GLU 178 HB3 -0.02 0.02 0.07 -0.04 1.99 2.01 2z9lB1 GLU 178 HG2 0.09 0.09 -0.02 -0.04 2.34 2.46 2z9lB1 GLU 178 HG3 0.08 -0.04 -0.23 -0.04 2.34 2.11 2z9lB1 GLY 179 H -0.18 0.38 -0.26 -0.55 8.43 7.82 2z9lB1 GLY 179 HA2 -0.17 0.09 0.18 -0.51 4.01 3.60 2z9lB1 GLY 179 HA3 -0.09 0.22 0.49 -0.51 4.01 4.12 2z9lB1 LYS 180 H -0.18 -0.03 -0.42 -0.55 8.42 7.24 2z9lB1 LYS 180 HA -0.09 0.08 0.59 -0.75 4.32 4.15 2z9lB1 LYS 180 HB2 -0.10 0.01 -0.02 -0.04 1.87 1.71 2z9lB1 LYS 180 HB3 -0.20 -0.08 0.10 -0.04 1.79 1.56 2z9lB1 LYS 180 HG2 -0.10 0.22 -0.09 -0.04 1.46 1.45 2z9lB1 LYS 180 HG3 -0.06 -0.02 0.01 -0.04 1.46 1.35 2z9lB1 LYS 180 HD2 -0.08 -0.05 -0.02 -0.04 1.69 1.50 2z9lB1 LYS 180 HD3 -0.12 0.02 -0.02 -0.04 1.68 1.51 2z9lB1 LYS 180 HE2 -0.04 -0.02 -0.01 -0.04 2.99 2.88 2z9lB1 LYS 180 HE3 -0.04 -0.02 -0.01 -0.04 2.99 2.88 2z9lB1 PHE 181 H 0.08 0.12 0.21 -0.55 8.34 8.20 2z9lB1 PHE 181 HA -0.14 0.04 0.37 -0.75 4.62 4.13 2z9lB1 PHE 181 HB2 -0.07 -0.04 0.15 -0.04 3.15 3.14 2z9lB1 PHE 181 HB3 0.02 0.17 -0.15 -0.04 3.06 3.06 2z9lB1 PHE 181 HD2 0.03 0.06 0.04 -0.04 7.28 7.37 2z9lB1 PHE 181 HE2 -0.08 -0.08 -0.16 -0.04 7.38 7.03 2z9lB1 PHE 181 HZ -0.10 -0.02 -0.23 -0.04 7.32 6.93 2z9lB1 TYR 182 H 0.32 0.60 0.43 -0.55 8.29 9.09 2z9lB1 TYR 182 HA 0.05 0.05 0.77 -0.75 4.56 4.67 2z9lB1 TYR 182 HB2 0.30 -0.01 0.23 -0.04 3.06 3.54 2z9lB1 TYR 182 HB3 0.33 0.01 0.10 -0.04 2.98 3.38 2z9lB1 TYR 182 HD2 0.19 -0.02 -0.14 -0.04 7.15 7.14 2z9lB1 TYR 182 HE2 0.06 0.23 -0.05 -0.04 6.85 7.05 2z9lB1 GLY 183 H -0.32 0.08 0.11 -0.55 8.43 7.75 2z9lB1 GLY 183 HA2 -0.40 0.01 0.33 -0.51 4.01 3.44 2z9lB1 GLY 183 HA3 -0.02 0.18 0.55 -0.51 4.01 4.20 2z9lB1 PRO 184 HA -0.25 0.12 0.43 -0.51 4.44 4.23 2z9lB1 PRO 184 HB2 -0.25 0.01 0.20 -0.04 2.28 2.20 2z9lB1 PRO 184 HB3 -0.21 -0.01 0.12 -0.04 2.02 1.88 2z9lB1 PRO 184 HG2 -0.81 0.05 -0.05 -0.04 2.03 1.18 2z9lB1 PRO 184 HG3 -0.28 0.01 0.08 -0.04 2.03 1.80 2z9lB1 PRO 184 HD2 -0.66 0.17 0.17 -0.04 3.68 3.32 2z9lB1 PRO 184 HD3 -0.25 0.08 0.16 -0.04 3.65 3.60 2z9lB1 PHE 185 H -0.31 0.34 -0.62 -0.55 8.34 7.20 2z9lB1 PHE 185 HA -0.20 0.17 0.84 -0.75 4.62 4.68 2z9lB1 PHE 185 HB2 -0.35 0.03 -0.09 -0.04 3.15 2.70 2z9lB1 PHE 185 HB3 -0.28 -0.01 -0.01 -0.04 3.06 2.73 2z9lB1 PHE 185 HD2 0.08 0.15 -0.05 -0.04 7.28 7.42 2z9lB1 PHE 185 HE2 0.11 0.14 -0.19 -0.04 7.38 7.39 2z9lB1 PHE 185 HZ 0.09 -0.08 -0.04 -0.04 7.32 7.25 2z9lB1 VAL 186 H -0.18 0.23 0.16 -0.55 8.24 7.91 2z9lB1 VAL 186 HA -0.53 0.13 0.73 -0.75 4.13 3.70 2z9lB1 VAL 186 HB -0.07 0.01 -0.09 -0.04 2.12 1.94 2z9lB1 VAL 186 HG13 -0.11 0.02 -0.22 -0.04 0.97 0.61 2z9lB1 VAL 186 HG23 -0.06 0.01 -0.05 -0.04 0.95 0.81 2z9lB1 ASP 187 H -0.01 0.15 0.04 -0.55 8.40 8.03 2z9lB1 ASP 187 HA 0.07 0.12 0.59 -0.75 4.63 4.67 2z9lB1 ASP 187 HB2 0.20 0.02 0.12 -0.04 2.71 3.02 2z9lB1 ASP 187 HB3 0.40 -0.01 0.07 -0.04 2.70 3.13 2z9lB1 ARG 188 H -0.01 0.60 0.15 -0.55 8.46 8.66 2z9lB1 ARG 188 HA 0.05 0.11 0.59 -0.75 4.34 4.33 2z9lB1 ARG 188 HB2 0.07 0.05 -0.20 -0.04 1.90 1.77 2z9lB1 ARG 188 HB3 0.01 -0.11 -0.25 -0.04 1.80 1.41 2z9lB1 ARG 188 HG2 0.00 0.12 -0.27 -0.04 1.67 1.48 2z9lB1 ARG 188 HG3 0.01 0.05 -0.04 -0.04 1.67 1.65 2z9lB1 ARG 188 HD2 0.00 -0.07 -0.15 -0.04 3.22 2.96 2z9lB1 ARG 188 HD3 0.00 0.06 -0.06 -0.04 3.22 3.18 2z9lB1 GLN 189 H 0.00 0.78 0.25 -0.55 8.47 8.96 2z9lB1 GLN 189 HA -0.01 0.06 0.76 -0.75 4.36 4.42 2z9lB1 GLN 189 HB2 -0.00 0.04 0.06 -0.04 2.15 2.20 2z9lB1 GLN 189 HB3 -0.00 -0.02 0.02 -0.04 2.02 1.97 2z9lB1 GLN 189 HG2 -0.01 -0.01 0.02 -0.04 2.40 2.36 2z9lB1 GLN 189 HG3 -0.01 -0.01 -0.04 -0.04 2.39 2.29 2z9lB1 GLN 189 HE21 -0.02 -0.02 -0.01 -0.04 6.97 6.88 2z9lB1 GLN 189 HE22 -0.03 0.01 -0.01 -0.04 7.69 7.62 2z9lB1 THR 190 H 0.00 0.29 0.30 -0.55 8.28 8.32 2z9lB1 THR 190 HA 0.00 0.16 0.61 -0.75 4.39 4.41 2z9lB1 THR 190 HB 0.00 -0.11 0.13 -0.04 4.32 4.31 2z9lB1 THR 190 HG23 -0.00 0.01 -0.36 -0.04 1.22 0.82 2z9lB1 ALA 191 H 0.01 0.17 0.14 -0.55 8.40 8.17 2z9lB1 ALA 191 HA 0.01 0.11 0.39 -0.75 4.34 4.10 2z9lB1 ALA 191 HB3 0.01 0.00 0.13 -0.04 1.41 1.51 2z9lB1 GLN 192 H 0.03 0.01 -0.95 -0.55 8.47 7.01 2z9lB1 GLN 192 HA 0.06 -0.01 0.32 -0.75 4.36 3.98 2z9lB1 GLN 192 HB2 0.05 0.05 0.06 -0.04 2.15 2.28 2z9lB1 GLN 192 HB3 0.20 -0.01 -0.03 -0.04 2.02 2.14 2z9lB1 GLN 192 HG2 0.06 0.03 0.04 -0.04 2.40 2.49 2z9lB1 GLN 192 HG3 0.03 -0.08 -0.02 -0.04 2.39 2.28 2z9lB1 GLN 192 HE21 -0.02 0.21 0.21 -0.04 6.97 7.33 2z9lB1 GLN 192 HE22 0.00 -0.03 0.14 -0.04 7.69 7.76 2z9lB1 ALA 193 H 0.13 0.22 0.20 -0.55 8.40 8.40 2z9lB1 ALA 193 HA 0.07 0.06 0.85 -0.75 4.34 4.57 2z9lB1 ALA 193 HB3 0.05 0.04 0.01 -0.04 1.41 1.47 2z9lB1 ALA 194 H 0.08 0.05 0.14 -0.55 8.40 8.11 2z9lB1 ALA 194 HA 0.36 0.06 0.49 -0.75 4.34 4.50 2z9lB1 ALA 194 HB3 0.08 -0.01 0.05 -0.04 1.41 1.48 2z9lB1 GLY 195 H 0.21 0.11 0.15 -0.55 8.43 8.35 2z9lB1 GLY 195 HA2 0.06 0.11 0.40 -0.51 4.01 4.08 2z9lB1 GLY 195 HA3 0.07 0.01 0.37 -0.51 4.01 3.96 2z9lB1 THR 196 H 0.04 0.10 0.11 -0.55 8.28 7.98 2z9lB1 THR 196 HA 0.03 0.10 0.47 -0.75 4.39 4.23 2z9lB1 THR 196 HB 0.02 0.07 -0.07 -0.04 4.32 4.30 2z9lB1 THR 196 HG23 0.02 0.01 0.03 -0.04 1.22 1.24 2z9lB1 ASP 197 H 0.01 0.19 0.18 -0.55 8.40 8.24 2z9lB1 ASP 197 HA 0.00 0.01 0.82 -0.75 4.63 4.70 2z9lB1 ASP 197 HB2 0.01 0.04 0.04 -0.04 2.71 2.76 2z9lB1 ASP 197 HB3 -0.01 0.04 0.05 -0.04 2.70 2.74 2z9lB1 THR 198 H -0.03 0.05 0.20 -0.55 8.28 7.96 2z9lB1 THR 198 HA -0.03 0.34 0.89 -0.75 4.39 4.84 2z9lB1 THR 198 HB -0.00 0.01 -0.16 -0.04 4.32 4.13 2z9lB1 THR 198 HG23 -0.03 -0.03 -0.13 -0.04 1.22 0.99 2z9lB1 THR 199 H -0.15 0.73 0.41 -0.55 8.28 8.72 2z9lB1 THR 199 HA -0.24 0.10 0.76 -0.75 4.39 4.26 2z9lB1 THR 199 HB -1.16 -0.03 0.10 -0.04 4.32 3.19 2z9lB1 THR 199 HG23 -0.69 -0.02 -0.18 -0.04 1.22 0.29 2z9lB1 ILE 200 H -0.19 0.21 0.14 -0.55 8.25 7.86 2z9lB1 ILE 200 HA -0.09 0.08 0.60 -0.75 4.18 4.02 2z9lB1 ILE 200 HB -0.11 0.12 0.31 -0.04 1.89 2.16 2z9lB1 ILE 200 HG12 -0.08 -0.00 0.03 -0.04 1.49 1.39 2z9lB1 ILE 200 HG13 -0.11 0.02 0.05 -0.04 1.21 1.13 2z9lB1 ILE 200 HG23 -0.07 -0.08 0.05 -0.04 0.93 0.79 2z9lB1 ILE 200 HD13 -0.10 0.03 0.04 -0.04 0.88 0.82 2z9lB1 THR 201 H -0.02 0.33 0.19 -0.55 8.28 8.23 2z9lB1 THR 201 HA 0.15 0.07 0.22 -0.75 4.39 4.08 2z9lB1 THR 201 HB 0.15 -0.06 -0.03 -0.04 4.32 4.35 2z9lB1 THR 201 HG23 0.42 -0.01 -0.15 -0.04 1.22 1.44 2z9lB1 LEU 202 H -0.08 0.13 -0.13 -0.55 8.37 7.74 2z9lB1 LEU 202 HA -0.02 0.05 0.39 -0.75 4.35 4.01 2z9lB1 LEU 202 HB2 -0.44 -0.03 0.10 -0.04 1.64 1.23 2z9lB1 LEU 202 HB3 -0.18 0.02 0.06 -0.04 1.64 1.50 2z9lB1 LEU 202 HG -0.01 0.03 -0.24 -0.04 1.64 1.38 2z9lB1 LEU 202 HD13 0.03 -0.02 0.06 -0.04 0.93 0.96 2z9lB1 LEU 202 HD23 -0.08 -0.00 0.01 -0.04 0.89 0.78 2z9lB1 ASN 203 H -0.02 0.16 -0.25 -0.55 8.53 7.87 2z9lB1 ASN 203 HA 0.09 0.07 0.53 -0.75 4.76 4.69 2z9lB1 ASN 203 HB2 -0.03 0.12 0.16 -0.04 2.88 3.10 2z9lB1 ASN 203 HB3 0.05 -0.15 -0.20 -0.04 2.79 2.45 2z9lB1 ASN 203 HD21 -0.04 0.37 0.07 -0.04 7.03 7.39 2z9lB1 ASN 203 HD22 -0.07 0.48 0.13 -0.04 7.74 8.24 2z9lB1 VAL 204 H 0.03 0.38 -0.06 -0.55 8.24 8.04 2z9lB1 VAL 204 HA 0.09 0.27 0.40 -0.75 4.13 4.14 2z9lB1 VAL 204 HB 0.19 0.04 -0.00 -0.04 2.12 2.30 2z9lB1 VAL 204 HG13 0.19 -0.01 -0.17 -0.04 0.97 0.94 2z9lB1 VAL 204 HG23 -0.07 0.03 -0.30 -0.04 0.95 0.57 2z9lB1 LEU 205 H 0.09 0.46 -0.31 -0.55 8.37 8.07 2z9lB1 LEU 205 HA -0.00 0.04 0.41 -0.75 4.35 4.04 2z9lB1 LEU 205 HB2 0.07 0.16 0.12 -0.04 1.64 1.95 2z9lB1 LEU 205 HB3 0.07 -0.05 -0.04 -0.04 1.64 1.59 2z9lB1 LEU 205 HG 0.05 0.12 -0.03 -0.04 1.64 1.74 2z9lB1 LEU 205 HD13 -0.11 -0.04 -0.11 -0.04 0.93 0.63 2z9lB1 LEU 205 HD23 -0.10 -0.01 -0.15 -0.04 0.89 0.60 2z9lB1 ALA 206 H 0.14 0.42 -0.11 -0.55 8.40 8.30 2z9lB1 ALA 206 HA 0.24 -0.00 0.40 -0.75 4.34 4.22 2z9lB1 ALA 206 HB3 0.15 0.06 -0.02 -0.04 1.41 1.56 2z9lB1 TRP 207 H 0.28 0.53 -0.28 -0.55 7.97 7.95 2z9lB1 TRP 207 HA -0.29 0.01 0.37 -0.75 4.62 3.95 2z9lB1 TRP 207 HB2 0.04 0.03 0.07 -0.04 3.23 3.34 2z9lB1 TRP 207 HB3 -0.07 0.16 0.14 -0.04 3.23 3.42 2z9lB1 TRP 207 HD1 -0.34 -0.01 -0.07 -0.04 7.22 6.76 2z9lB1 TRP 207 HE1 0.05 0.06 -0.06 -0.04 10.20 10.21 2z9lB1 TRP 207 HE3 -0.16 0.13 -0.06 -0.04 7.59 7.46 2z9lB1 TRP 207 HZ2 0.02 0.13 0.02 -0.04 7.44 7.58 2z9lB1 TRP 207 HZ3 -0.16 0.00 -0.06 -0.04 7.13 6.88 2z9lB1 TRP 207 HH2 -0.02 0.11 0.01 -0.04 7.19 7.24 2z9lB1 LEU 208 H 0.02 0.45 -0.17 -0.55 8.37 8.12 2z9lB1 LEU 208 HA -0.74 0.03 0.48 -0.75 4.35 3.37 2z9lB1 LEU 208 HB2 -0.30 0.08 0.10 -0.04 1.64 1.48 2z9lB1 LEU 208 HB3 -0.52 -0.03 -0.00 -0.04 1.64 1.05 2z9lB1 LEU 208 HG 0.01 0.24 0.05 -0.04 1.64 1.90 2z9lB1 LEU 208 HD13 -0.13 -0.03 -0.10 -0.04 0.93 0.62 2z9lB1 LEU 208 HD23 -0.75 -0.02 -0.08 -0.04 0.89 0.01 2z9lB1 TYR 209 H -0.09 0.44 -0.30 -0.55 8.29 7.79 2z9lB1 TYR 209 HA -0.09 0.04 0.44 -0.75 4.56 4.20 2z9lB1 TYR 209 HB2 -0.07 0.18 0.19 -0.04 3.06 3.31 2z9lB1 TYR 209 HB3 -0.08 -0.03 -0.04 -0.04 2.98 2.79 2z9lB1 TYR 209 HD2 -0.04 0.02 -0.06 -0.04 7.15 7.04 2z9lB1 TYR 209 HE2 -0.03 -0.03 -0.04 -0.04 6.85 6.70 2z9lB1 ALA 210 H -0.24 0.34 -0.19 -0.55 8.40 7.76 2z9lB1 ALA 210 HA -0.28 0.05 0.46 -0.75 4.34 3.82 2z9lB1 ALA 210 HB3 -1.03 0.01 0.03 -0.04 1.41 0.39 2z9lB1 ALA 211 H -0.52 0.31 -0.43 -0.55 8.40 7.21 2z9lB1 ALA 211 HA -0.40 -0.01 0.48 -0.75 4.34 3.66 2z9lB1 ALA 211 HB3 -0.57 0.00 0.10 -0.04 1.41 0.90 2z9lB1 VAL 212 H -0.12 0.40 -0.13 -0.55 8.24 7.84 2z9lB1 VAL 212 HA -0.07 0.34 0.28 -0.75 4.13 3.92 2z9lB1 VAL 212 HB 0.00 0.02 0.17 -0.04 2.12 2.28 2z9lB1 VAL 212 HG13 -0.03 -0.01 -0.15 -0.04 0.97 0.73 2z9lB1 VAL 212 HG23 -0.03 0.00 0.06 -0.04 0.95 0.93 2z9lB1 ILE 213 H -0.08 0.51 -0.18 -0.55 8.25 7.96 2z9lB1 ILE 213 HA -0.04 0.01 0.35 -0.75 4.18 3.75 2z9lB1 ILE 213 HB -0.10 0.04 0.06 -0.04 1.89 1.85 2z9lB1 ILE 213 HG12 -0.02 -0.02 -0.01 -0.04 1.49 1.40 2z9lB1 ILE 213 HG13 -0.01 0.18 0.07 -0.04 1.21 1.41 2z9lB1 ILE 213 HG23 -0.03 -0.02 -0.10 -0.04 0.93 0.73 2z9lB1 ILE 213 HD13 -0.05 -0.05 -0.09 -0.04 0.88 0.65 2z9lB1 ASN 214 H -0.10 0.31 -0.96 -0.55 8.53 7.23 2z9lB1 ASN 214 HA -0.03 0.15 0.82 -0.75 4.76 4.95 2z9lB1 ASN 214 HB2 -0.09 0.03 0.14 -0.04 2.88 2.92 2z9lB1 ASN 214 HB3 -0.02 -0.16 0.19 -0.04 2.79 2.75 2z9lB1 ASN 214 HD21 0.01 0.01 -0.13 -0.04 7.03 6.88 2z9lB1 ASN 214 HD22 -0.07 -0.14 -0.10 -0.04 7.74 7.39 2z9lB1 GLY 215 H -0.05 0.40 -0.29 -0.55 8.43 7.96 2z9lB1 GLY 215 HA2 -0.03 -0.02 0.32 -0.51 4.01 3.77 2z9lB1 GLY 215 HA3 -0.02 -0.01 0.70 -0.51 4.01 4.18 2z9lB1 ASP 216 H -0.00 0.16 0.15 -0.55 8.40 8.16 2z9lB1 ASP 216 HA 0.08 -0.14 0.41 -0.75 4.63 4.22 2z9lB1 ASP 216 HB2 -0.02 0.16 0.11 -0.04 2.71 2.91 2z9lB1 ASP 216 HB3 0.03 -0.05 0.04 -0.04 2.70 2.69 2z9lB1 ARG 217 H -0.08 0.03 0.10 -0.55 8.46 7.95 2z9lB1 ARG 217 HA -1.09 0.11 0.63 -0.75 4.34 3.23 2z9lB1 ARG 217 HB2 -0.37 -0.09 0.22 -0.04 1.90 1.62 2z9lB1 ARG 217 HB3 -0.26 0.25 0.04 -0.04 1.80 1.78 2z9lB1 ARG 217 HG2 -0.11 -0.02 -0.11 -0.04 1.67 1.39 2z9lB1 ARG 217 HG3 -0.14 -0.06 -0.05 -0.04 1.67 1.37 2z9lB1 ARG 217 HD2 -0.11 0.17 0.01 -0.04 3.22 3.26 2z9lB1 ARG 217 HD3 -0.08 -0.05 -0.02 -0.04 3.22 3.03 2z9lB1 TRP 218 H -0.11 0.08 0.10 -0.55 7.97 7.50 2z9lB1 TRP 218 HA -0.18 0.15 0.48 -0.75 4.62 4.32 2z9lB1 TRP 218 HB2 -0.04 0.07 0.06 -0.04 3.23 3.29 2z9lB1 TRP 218 HB3 -0.07 -0.03 0.13 -0.04 3.23 3.22 2z9lB1 TRP 218 HD1 0.02 -0.08 0.11 -0.04 7.22 7.23 2z9lB1 TRP 218 HE1 0.09 0.46 0.10 -0.04 10.20 10.81 2z9lB1 TRP 218 HE3 0.04 0.03 -0.48 -0.04 7.59 7.13 2z9lB1 TRP 218 HZ2 0.09 -0.04 -0.30 -0.04 7.44 7.15 2z9lB1 TRP 218 HZ3 0.07 0.06 -0.10 -0.04 7.13 7.12 2z9lB1 TRP 218 HH2 0.07 -0.05 -0.05 -0.04 7.19 7.12 2z9lB1 PHE 219 H -1.50 0.01 -0.19 -0.55 8.34 6.10 2z9lB1 PHE 219 HA -0.35 0.15 0.40 -0.75 4.62 4.06 2z9lB1 PHE 219 HB2 -0.57 0.02 -0.04 -0.04 3.15 2.52 2z9lB1 PHE 219 HB3 -1.76 0.00 -0.03 -0.04 3.06 1.24 2z9lB1 PHE 219 HD2 -0.96 -0.03 -0.22 -0.04 7.28 6.03 2z9lB1 PHE 219 HE2 -0.41 -0.00 -0.16 -0.04 7.38 6.77 2z9lB1 PHE 219 HZ -0.37 0.19 0.01 -0.04 7.32 7.11 2z9lB1 LEU 220 H -0.71 0.20 -0.58 -0.55 8.37 6.74 2z9lB1 LEU 220 HA -0.11 -0.01 0.46 -0.75 4.35 3.94 2z9lB1 LEU 220 HB2 -0.27 0.14 0.03 -0.04 1.64 1.49 2z9lB1 LEU 220 HB3 -0.17 -0.00 0.04 -0.04 1.64 1.47 2z9lB1 LEU 220 HG -0.83 -0.06 0.01 -0.04 1.64 0.73 2z9lB1 LEU 220 HD13 -0.20 0.02 0.01 -0.04 0.93 0.72 2z9lB1 LEU 220 HD23 -0.11 -0.02 -0.07 -0.04 0.89 0.65 2z9lB1 ASN 221 H -0.03 0.18 0.20 -0.55 8.53 8.33 2z9lB1 ASN 221 HA -0.05 0.22 0.75 -0.75 4.76 4.92 2z9lB1 ASN 221 HB2 0.06 -0.13 0.14 -0.04 2.88 2.91 2z9lB1 ASN 221 HB3 0.10 0.20 -0.19 -0.04 2.79 2.86 2z9lB1 ASN 221 HD21 0.18 0.04 -0.33 -0.04 7.03 6.89 2z9lB1 ASN 221 HD22 0.18 0.10 -0.09 -0.04 7.74 7.89 2z9lB1 ARG 222 H -0.29 0.16 0.13 -0.55 8.46 7.90 2z9lB1 ARG 222 HA -0.14 0.18 0.60 -0.75 4.34 4.23 2z9lB1 ARG 222 HB2 -0.21 0.00 0.15 -0.04 1.90 1.80 2z9lB1 ARG 222 HB3 -0.21 0.02 0.08 -0.04 1.80 1.65 2z9lB1 ARG 222 HG2 -0.80 -0.03 0.04 -0.04 1.67 0.83 2z9lB1 ARG 222 HG3 -0.79 -0.01 -0.24 -0.04 1.67 0.59 2z9lB1 ARG 222 HD2 -0.23 -0.01 0.00 -0.04 3.22 2.95 2z9lB1 ARG 222 HD3 -0.23 0.02 0.02 -0.04 3.22 2.99 2z9lB1 PHE 223 H -0.05 0.01 -0.36 -0.55 8.34 7.40 2z9lB1 PHE 223 HA 0.00 0.17 0.76 -0.75 4.62 4.80 2z9lB1 PHE 223 HB2 0.01 -0.01 -0.07 -0.04 3.15 3.04 2z9lB1 PHE 223 HB3 0.01 0.08 0.09 -0.04 3.06 3.21 2z9lB1 PHE 223 HD2 0.01 0.02 -0.02 -0.04 7.28 7.25 2z9lB1 PHE 223 HE2 0.01 0.03 -0.02 -0.04 7.38 7.35 2z9lB1 PHE 223 HZ 0.01 0.02 -0.02 -0.04 7.32 7.29 2z9lB1 THR 224 H 0.20 0.24 0.21 -0.55 8.28 8.39 2z9lB1 THR 224 HA 0.08 0.17 0.62 -0.75 4.39 4.50 2z9lB1 THR 224 HB 0.05 0.09 -0.10 -0.04 4.32 4.32 2z9lB1 THR 224 HG23 0.06 0.00 -0.12 -0.04 1.22 1.12 2z9lB1 THR 225 H 0.06 0.25 0.10 -0.55 8.28 8.14 2z9lB1 THR 225 HA 0.06 0.17 0.67 -0.75 4.39 4.54 2z9lB1 THR 225 HB 0.08 0.12 -0.25 -0.04 4.32 4.24 2z9lB1 THR 225 HG23 0.12 0.04 -0.27 -0.04 1.22 1.07 2z9lB1 THR 226 H 0.06 0.14 0.15 -0.55 8.28 8.08 2z9lB1 THR 226 HA 0.04 0.24 0.83 -0.75 4.39 4.75 2z9lB1 THR 226 HB 0.04 0.15 0.07 -0.04 4.32 4.53 2z9lB1 THR 226 HG23 0.05 0.02 -0.00 -0.04 1.22 1.25 2z9lB1 LEU 227 H 0.04 0.22 0.15 -0.55 8.37 8.23 2z9lB1 LEU 227 HA 0.07 0.10 0.38 -0.75 4.35 4.15 2z9lB1 LEU 227 HB2 0.03 0.03 0.12 -0.04 1.64 1.78 2z9lB1 LEU 227 HB3 0.05 -0.02 0.13 -0.04 1.64 1.76 2z9lB1 LEU 227 HG 0.08 0.06 -0.12 -0.04 1.64 1.62 2z9lB1 LEU 227 HD13 0.06 0.03 -0.06 -0.04 0.93 0.91 2z9lB1 LEU 227 HD23 0.03 -0.02 -0.08 -0.04 0.89 0.77 2z9lB1 ASN 228 H 0.06 0.07 -0.14 -0.55 8.53 7.98 2z9lB1 ASN 228 HA 0.07 0.13 0.39 -0.75 4.76 4.59 2z9lB1 ASN 228 HB2 0.04 -0.05 0.11 -0.04 2.88 2.94 2z9lB1 ASN 228 HB3 0.04 0.07 -0.07 -0.04 2.79 2.79 2z9lB1 ASN 228 HD21 0.03 0.05 -0.01 -0.04 7.03 7.06 2z9lB1 ASN 228 HD22 0.03 0.01 -0.08 -0.04 7.74 7.66 2z9lB1 ASP 229 H 0.06 0.00 -0.19 -0.55 8.40 7.73 2z9lB1 ASP 229 HA 0.03 0.13 0.47 -0.75 4.63 4.50 2z9lB1 ASP 229 HB2 0.06 -0.18 0.14 -0.04 2.71 2.69 2z9lB1 ASP 229 HB3 0.02 0.11 0.06 -0.04 2.70 2.86 2z9lB1 PHE 230 H 0.20 0.40 -0.35 -0.55 8.34 8.04 2z9lB1 PHE 230 HA -0.00 0.08 0.34 -0.75 4.62 4.29 2z9lB1 PHE 230 HB2 0.01 -0.02 -0.01 -0.04 3.15 3.09 2z9lB1 PHE 230 HB3 0.02 0.12 0.16 -0.04 3.06 3.32 2z9lB1 PHE 230 HD2 0.01 0.05 -0.12 -0.04 7.28 7.19 2z9lB1 PHE 230 HE2 0.01 0.03 -0.05 -0.04 7.38 7.33 2z9lB1 PHE 230 HZ 0.01 0.02 -0.09 -0.04 7.32 7.22 2z9lB1 ASN 231 H 0.21 0.47 -0.04 -0.55 8.53 8.62 2z9lB1 ASN 231 HA -0.02 -0.03 0.39 -0.75 4.76 4.35 2z9lB1 ASN 231 HB2 0.09 0.11 0.17 -0.04 2.88 3.21 2z9lB1 ASN 231 HB3 0.07 0.01 0.02 -0.04 2.79 2.85 2z9lB1 ASN 231 HD21 0.15 0.44 0.15 -0.04 7.03 7.72 2z9lB1 ASN 231 HD22 0.11 -0.05 -0.00 -0.04 7.74 7.76 2z9lB1 LEU 232 H 0.00 0.38 -0.27 -0.55 8.37 7.94 2z9lB1 LEU 232 HA -0.02 0.02 0.35 -0.75 4.35 3.95 2z9lB1 LEU 232 HB2 -0.02 0.11 0.10 -0.04 1.64 1.80 2z9lB1 LEU 232 HB3 -0.02 0.01 -0.01 -0.04 1.64 1.58 2z9lB1 LEU 232 HG 0.01 0.17 0.05 -0.04 1.64 1.83 2z9lB1 LEU 232 HD13 0.00 -0.03 -0.02 -0.04 0.93 0.84 2z9lB1 LEU 232 HD23 0.00 -0.01 -0.00 -0.04 0.89 0.84 2z9lB1 VAL 233 H -0.13 0.34 -0.28 -0.55 8.24 7.62 2z9lB1 VAL 233 HA -0.02 0.13 0.64 -0.75 4.13 4.13 2z9lB1 VAL 233 HB -0.25 0.00 0.19 -0.04 2.12 2.03 2z9lB1 VAL 233 HG13 -0.01 0.01 -0.11 -0.04 0.97 0.81 2z9lB1 VAL 233 HG23 -0.05 0.03 0.02 -0.04 0.95 0.90 2z9lB1 ALA 234 H -0.49 0.56 0.13 -0.55 8.40 8.06 2z9lB1 ALA 234 HA -0.30 0.05 0.31 -0.75 4.34 3.64 2z9lB1 ALA 234 HB3 -0.61 -0.02 0.01 -0.04 1.41 0.75 2z9lB1 MET 235 H -0.06 0.67 -0.15 -0.55 8.47 8.38 2z9lB1 MET 235 HA 0.06 0.15 0.46 -0.75 4.52 4.44 2z9lB1 MET 235 HB2 -0.00 0.13 0.01 -0.04 2.15 2.25 2z9lB1 MET 235 HB3 0.02 -0.07 0.09 -0.04 2.03 2.03 2z9lB1 MET 235 HG2 0.06 0.05 0.00 -0.04 2.63 2.70 2z9lB1 MET 235 HG3 0.02 0.06 0.12 -0.04 2.56 2.72 2z9lB1 MET 235 HE3 0.03 0.00 0.01 -0.04 2.10 2.10 2z9lB1 LYS 236 H 0.00 0.60 -0.66 -0.55 8.42 7.80 2z9lB1 LYS 236 HA -0.09 0.05 0.67 -0.75 4.32 4.20 2z9lB1 LYS 236 HB2 -0.08 -0.00 0.14 -0.04 1.87 1.88 2z9lB1 LYS 236 HB3 -0.08 0.34 0.21 -0.04 1.79 2.22 2z9lB1 LYS 236 HG2 -0.53 -0.01 0.03 -0.04 1.46 0.92 2z9lB1 LYS 236 HG3 -0.19 -0.07 0.13 -0.04 1.46 1.28 2z9lB1 LYS 236 HD2 -0.10 -0.03 0.05 -0.04 1.69 1.56 2z9lB1 LYS 236 HD3 -0.17 0.03 0.01 -0.04 1.68 1.52 2z9lB1 LYS 236 HE2 -0.15 -0.04 0.03 -0.04 2.99 2.79 2z9lB1 LYS 236 HE3 -0.11 -0.02 0.02 -0.04 2.99 2.84 2z9lB1 TYR 237 H 0.13 0.51 -0.19 -0.55 8.29 8.19 2z9lB1 TYR 237 HA 0.01 0.23 0.95 -0.75 4.56 4.99 2z9lB1 TYR 237 HB2 -0.15 0.00 0.11 -0.04 3.06 2.98 2z9lB1 TYR 237 HB3 0.02 -0.05 0.20 -0.04 2.98 3.10 2z9lB1 TYR 237 HD2 -0.08 0.05 -0.06 -0.04 7.15 7.01 2z9lB1 TYR 237 HE2 -0.06 -0.04 -0.04 -0.04 6.85 6.67 2z9lB1 ASN 238 H 0.08 0.24 -0.30 -0.55 8.53 8.00 2z9lB1 ASN 238 HA 0.07 0.04 0.26 -0.75 4.76 4.38 2z9lB1 ASN 238 HB2 0.07 -0.00 -0.29 -0.04 2.88 2.62 2z9lB1 ASN 238 HB3 0.12 0.17 0.22 -0.04 2.79 3.25 2z9lB1 ASN 238 HD21 0.00 0.38 0.21 -0.04 7.03 7.58 2z9lB1 ASN 238 HD22 0.02 -0.04 0.07 -0.04 7.74 7.76 2z9lB1 TYR 239 H 0.26 0.35 -0.11 -0.55 8.29 8.24 2z9lB1 TYR 239 HA 0.03 0.03 0.91 -0.75 4.56 4.78 2z9lB1 TYR 239 HB2 0.02 0.18 -0.08 -0.04 3.06 3.14 2z9lB1 TYR 239 HB3 0.06 -0.00 -0.16 -0.04 2.98 2.84 2z9lB1 TYR 239 HD2 0.08 0.06 -0.23 -0.04 7.15 7.02 2z9lB1 TYR 239 HE2 0.03 0.02 -0.08 -0.04 6.85 6.77 2z9lB1 GLU 240 H 0.04 0.41 0.25 -0.55 8.60 8.75 2z9lB1 GLU 240 HA 0.08 0.12 0.41 -0.75 4.29 4.13 2z9lB1 GLU 240 HB2 0.01 0.05 0.12 -0.04 2.09 2.23 2z9lB1 GLU 240 HB3 0.05 -0.27 0.21 -0.04 1.99 1.93 2z9lB1 GLU 240 HG2 0.11 0.12 -0.08 -0.04 2.34 2.45 2z9lB1 GLU 240 HG3 0.07 0.05 0.08 -0.04 2.34 2.51 2z9lB1 PRO 241 HA 0.16 0.04 0.49 -0.51 4.44 4.62 2z9lB1 PRO 241 HB2 0.10 -0.05 -0.01 -0.04 2.28 2.29 2z9lB1 PRO 241 HB3 0.09 0.03 0.06 -0.04 2.02 2.16 2z9lB1 PRO 241 HG2 0.06 0.03 0.07 -0.04 2.03 2.16 2z9lB1 PRO 241 HG3 0.07 0.12 0.08 -0.04 2.03 2.26 2z9lB1 PRO 241 HD2 0.09 0.05 0.20 -0.04 3.68 3.98 2z9lB1 PRO 241 HD3 0.08 0.18 0.21 -0.04 3.65 4.08 2z9lB1 LEU 242 H 0.26 0.15 0.16 -0.55 8.37 8.40 2z9lB1 LEU 242 HA 0.36 0.07 0.75 -0.75 4.35 4.77 2z9lB1 LEU 242 HB2 0.27 0.07 0.01 -0.04 1.64 1.95 2z9lB1 LEU 242 HB3 0.18 -0.02 0.09 -0.04 1.64 1.85 2z9lB1 LEU 242 HG 0.12 0.03 -0.14 -0.04 1.64 1.62 2z9lB1 LEU 242 HD13 0.12 -0.00 -0.09 -0.04 0.93 0.92 2z9lB1 LEU 242 HD23 -0.23 0.01 -0.11 -0.04 0.89 0.51 2z9lB1 THR 243 H 0.18 0.12 0.17 -0.55 8.28 8.20 2z9lB1 THR 243 HA -0.00 0.26 0.79 -0.75 4.39 4.68 2z9lB1 THR 243 HB -0.14 -0.03 0.14 -0.04 4.32 4.26 2z9lB1 THR 243 HG23 -0.06 0.08 -0.07 -0.04 1.22 1.13 2z9lB1 GLN 244 H -0.03 0.26 0.17 -0.55 8.47 8.32 2z9lB1 GLN 244 HA 0.00 0.08 0.37 -0.75 4.36 4.06 2z9lB1 GLN 244 HB2 -0.00 0.04 0.14 -0.04 2.15 2.29 2z9lB1 GLN 244 HB3 -0.02 0.03 0.10 -0.04 2.02 2.10 2z9lB1 GLN 244 HG2 0.00 0.07 0.01 -0.04 2.40 2.44 2z9lB1 GLN 244 HG3 -0.00 0.02 -0.12 -0.04 2.39 2.24 2z9lB1 GLN 244 HE21 0.01 0.02 -0.00 -0.04 6.97 6.95 2z9lB1 GLN 244 HE22 0.01 0.02 0.01 -0.04 7.69 7.68 2z9lB1 ASP 245 H -0.10 0.09 -0.18 -0.55 8.40 7.66 2z9lB1 ASP 245 HA -0.01 0.13 0.42 -0.75 4.63 4.42 2z9lB1 ASP 245 HB2 -0.16 -0.06 0.09 -0.04 2.71 2.54 2z9lB1 ASP 245 HB3 -0.08 0.07 -0.08 -0.04 2.70 2.58 2z9lB1 HIS 246 H -0.23 0.07 -0.24 -0.55 8.41 7.48 2z9lB1 HIS 246 HA 0.03 0.07 0.44 -0.75 4.63 4.42 2z9lB1 HIS 246 HB2 0.03 0.18 0.16 -0.04 3.26 3.58 2z9lB1 HIS 246 HB3 0.03 0.01 0.04 -0.04 3.20 3.24 2z9lB1 HIS 246 HD2 0.04 0.03 -0.04 -0.04 6.97 6.95 2z9lB1 HIS 246 HE1 0.04 0.14 0.05 -0.04 7.75 7.94 2z9lB1 VAL 247 H 0.07 0.36 -0.19 -0.55 8.24 7.93 2z9lB1 VAL 247 HA 0.04 0.01 0.34 -0.75 4.13 3.77 2z9lB1 VAL 247 HB 0.02 0.20 0.17 -0.04 2.12 2.46 2z9lB1 VAL 247 HG13 0.01 -0.02 -0.11 -0.04 0.97 0.82 2z9lB1 VAL 247 HG23 0.01 0.01 -0.07 -0.04 0.95 0.86 2z9lB1 ASP 248 H 0.03 0.39 -0.30 -0.55 8.40 7.97 2z9lB1 ASP 248 HA 0.01 0.02 0.47 -0.75 4.63 4.38 2z9lB1 ASP 248 HB2 0.03 0.15 0.21 -0.04 2.71 3.05 2z9lB1 ASP 248 HB3 0.02 -0.02 0.05 -0.04 2.70 2.71 2z9lB1 ILE 249 H 0.07 0.45 -0.06 -0.55 8.25 8.16 2z9lB1 ILE 249 HA 0.05 0.04 0.45 -0.75 4.18 3.97 2z9lB1 ILE 249 HB 0.10 0.12 0.20 -0.04 1.89 2.26 2z9lB1 ILE 249 HG12 0.09 -0.01 0.05 -0.04 1.49 1.58 2z9lB1 ILE 249 HG13 0.08 0.09 0.08 -0.04 1.21 1.43 2z9lB1 ILE 249 HG23 0.08 -0.02 -0.06 -0.04 0.93 0.89 2z9lB1 ILE 249 HD13 0.16 -0.04 -0.03 -0.04 0.88 0.93 2z9lB1 LEU 250 H 0.04 0.38 -0.34 -0.55 8.37 7.89 2z9lB1 LEU 250 HA -0.04 0.05 0.49 -0.75 4.35 4.10 2z9lB1 LEU 250 HB2 0.04 0.12 0.10 -0.04 1.64 1.86 2z9lB1 LEU 250 HB3 0.01 -0.04 0.10 -0.04 1.64 1.67 2z9lB1 LEU 250 HG 0.07 0.00 -0.01 -0.04 1.64 1.65 2z9lB1 LEU 250 HD13 0.09 -0.02 -0.07 -0.04 0.93 0.89 2z9lB1 LEU 250 HD23 0.16 0.02 -0.07 -0.04 0.89 0.96 2z9lB1 GLY 251 H -0.02 0.47 -0.54 -0.55 8.43 7.80 2z9lB1 GLY 251 HA2 -0.05 -0.06 0.36 -0.51 4.01 3.75 2z9lB1 GLY 251 HA3 -0.03 0.14 0.36 -0.51 4.01 3.97 2z9lB1 PRO 252 HA -0.06 0.05 0.41 -0.51 4.44 4.33 2z9lB1 PRO 252 HB2 -0.07 0.03 0.03 -0.04 2.28 2.23 2z9lB1 PRO 252 HB3 -0.05 0.06 0.07 -0.04 2.02 2.06 2z9lB1 PRO 252 HG2 -0.02 0.06 0.08 -0.04 2.03 2.10 2z9lB1 PRO 252 HG3 -0.03 0.02 0.09 -0.04 2.03 2.07 2z9lB1 PRO 252 HD2 -0.05 0.29 -0.04 -0.04 3.68 3.84 2z9lB1 PRO 252 HD3 -0.02 0.15 0.16 -0.04 3.65 3.89 2z9lB1 LEU 253 H -0.17 0.18 -0.33 -0.55 8.37 7.50 2z9lB1 LEU 253 HA -0.21 0.06 0.40 -0.75 4.35 3.85 2z9lB1 LEU 253 HB2 -0.27 -0.04 0.10 -0.04 1.64 1.39 2z9lB1 LEU 253 HB3 -0.90 0.06 -0.03 -0.04 1.64 0.73 2z9lB1 LEU 253 HG -0.26 0.02 -0.01 -0.04 1.64 1.35 2z9lB1 LEU 253 HD13 -0.10 0.00 -0.04 -0.04 0.93 0.75 2z9lB1 LEU 253 HD23 -0.04 -0.01 0.04 -0.04 0.89 0.84 2z9lB1 SER 254 H -0.29 0.47 -0.09 -0.55 8.46 8.00 2z9lB1 SER 254 HA -0.21 0.11 0.46 -0.75 4.49 4.10 2z9lB1 SER 254 HB2 -0.10 -0.02 0.11 -0.04 3.95 3.90 2z9lB1 SER 254 HB3 -0.07 0.06 0.19 -0.04 3.93 4.07 2z9lB1 ALA 255 H -0.09 0.62 0.02 -0.55 8.40 8.40 2z9lB1 ALA 255 HA -0.03 -0.03 0.35 -0.75 4.34 3.88 2z9lB1 ALA 255 HB3 -0.04 0.01 0.07 -0.04 1.41 1.41 2z9lB1 GLN 256 H -0.09 0.55 -0.16 -0.55 8.47 8.22 2z9lB1 GLN 256 HA -0.04 0.01 0.39 -0.75 4.36 3.97 2z9lB1 GLN 256 HB2 -0.07 0.02 0.13 -0.04 2.15 2.20 2z9lB1 GLN 256 HB3 -0.09 0.05 0.15 -0.04 2.02 2.09 2z9lB1 GLN 256 HG2 -0.04 0.06 -0.15 -0.04 2.40 2.22 2z9lB1 GLN 256 HG3 -0.04 -0.02 0.05 -0.04 2.39 2.34 2z9lB1 GLN 256 HE21 -0.04 -0.12 -0.06 -0.04 6.97 6.71 2z9lB1 GLN 256 HE22 -0.04 0.10 -0.07 -0.04 7.69 7.64 2z9lB1 THR 257 H -0.05 0.41 -0.14 -0.55 8.28 7.95 2z9lB1 THR 257 HA -0.00 0.17 0.68 -0.75 4.39 4.48 2z9lB1 THR 257 HB 0.06 -0.02 0.07 -0.04 4.32 4.39 2z9lB1 THR 257 HG23 0.06 0.01 0.01 -0.04 1.22 1.25 2z9lB1 GLY 258 H -0.01 0.43 -0.20 -0.55 8.43 8.11 2z9lB1 GLY 258 HA2 -0.00 -0.04 0.27 -0.51 4.01 3.73 2z9lB1 GLY 258 HA3 -0.00 0.07 0.44 -0.51 4.01 4.00 2z9lB1 ILE 259 H 0.09 0.25 -0.20 -0.55 8.25 7.83 2z9lB1 ILE 259 HA 0.03 0.13 0.83 -0.75 4.18 4.42 2z9lB1 ILE 259 HB 0.22 -0.03 0.05 -0.04 1.89 2.08 2z9lB1 ILE 259 HG12 -0.01 0.03 -0.11 -0.04 1.49 1.35 2z9lB1 ILE 259 HG13 0.03 0.17 -0.38 -0.04 1.21 0.99 2z9lB1 ILE 259 HG23 -0.01 0.00 -0.15 -0.04 0.93 0.72 2z9lB1 ILE 259 HD13 -0.03 -0.01 -0.05 -0.04 0.88 0.75 2z9lB1 ALA 260 H 0.03 0.18 0.06 -0.55 8.40 8.13 2z9lB1 ALA 260 HA 0.05 0.10 0.40 -0.75 4.34 4.14 2z9lB1 ALA 260 HB3 0.02 0.01 0.09 -0.04 1.41 1.49 2z9lB1 VAL 261 H 0.06 0.19 0.17 -0.55 8.24 8.11 2z9lB1 VAL 261 HA 0.17 0.17 0.35 -0.75 4.13 4.07 2z9lB1 VAL 261 HB 0.03 -0.07 0.13 -0.04 2.12 2.16 2z9lB1 VAL 261 HG13 0.01 -0.01 -0.13 -0.04 0.97 0.80 2z9lB1 VAL 261 HG23 0.05 0.09 0.04 -0.04 0.95 1.09 2z9lB1 LEU 262 H 0.01 0.13 -0.11 -0.55 8.37 7.86 2z9lB1 LEU 262 HA -0.05 0.05 0.38 -0.75 4.35 3.98 2z9lB1 LEU 262 HB2 0.01 0.02 0.08 -0.04 1.64 1.71 2z9lB1 LEU 262 HB3 0.02 0.13 0.08 -0.04 1.64 1.82 2z9lB1 LEU 262 HG 0.00 -0.04 0.03 -0.04 1.64 1.59 2z9lB1 LEU 262 HD13 0.02 0.06 0.08 -0.04 0.93 1.05 2z9lB1 LEU 262 HD23 -0.02 -0.01 -0.17 -0.04 0.89 0.65 2z9lB1 ASP 263 H 0.02 0.13 -0.40 -0.55 8.40 7.60 2z9lB1 ASP 263 HA 0.03 0.13 0.55 -0.75 4.63 4.59 2z9lB1 ASP 263 HB2 0.01 0.17 0.10 -0.04 2.71 2.96 2z9lB1 ASP 263 HB3 -0.00 0.11 0.01 -0.04 2.70 2.78 2z9lB1 MET 264 H -0.01 0.47 -0.16 -0.55 8.47 8.23 2z9lB1 MET 264 HA -0.08 0.08 0.46 -0.75 4.52 4.23 2z9lB1 MET 264 HB2 -0.23 0.09 -0.02 -0.04 2.15 1.95 2z9lB1 MET 264 HB3 -0.12 0.06 0.07 -0.04 2.03 1.99 2z9lB1 MET 264 HG2 -0.73 0.05 -0.05 -0.04 2.63 1.85 2z9lB1 MET 264 HG3 -0.23 -0.09 -0.12 -0.04 2.56 2.08 2z9lB1 MET 264 HE3 -0.80 0.03 -0.15 -0.04 2.10 1.15 2z9lB1 CYS 265 H -0.09 0.49 -0.16 -0.55 8.50 8.20 2z9lB1 CYS 265 HA -0.19 0.02 0.39 -0.75 4.58 4.05 2z9lB1 CYS 265 HB2 -0.14 0.11 0.06 -0.04 2.97 2.95 2z9lB1 CYS 265 HB3 -0.61 -0.06 -0.04 -0.04 2.97 2.22 2z9lB1 ALA 266 H 0.03 0.39 -0.45 -0.55 8.40 7.83 2z9lB1 ALA 266 HA 0.11 -0.03 0.26 -0.75 4.34 3.92 2z9lB1 ALA 266 HB3 0.11 0.04 -0.17 -0.04 1.41 1.34 2z9lB1 ALA 267 H 0.04 0.45 -0.20 -0.55 8.40 8.14 2z9lB1 ALA 267 HA 0.07 0.06 0.40 -0.75 4.34 4.12 2z9lB1 ALA 267 HB3 0.06 0.05 0.05 -0.04 1.41 1.52 2z9lB1 LEU 268 H 0.03 0.53 -0.20 -0.55 8.37 8.19 2z9lB1 LEU 268 HA -0.04 0.03 0.35 -0.75 4.35 3.94 2z9lB1 LEU 268 HB2 0.04 0.10 0.07 -0.04 1.64 1.81 2z9lB1 LEU 268 HB3 0.29 0.05 0.02 -0.04 1.64 1.96 2z9lB1 LEU 268 HG 0.05 0.01 -0.09 -0.04 1.64 1.57 2z9lB1 LEU 268 HD13 0.32 -0.02 -0.11 -0.04 0.93 1.08 2z9lB1 LEU 268 HD23 -0.09 -0.01 -0.12 -0.04 0.89 0.62 2z9lB1 LYS 269 H 0.15 0.70 -0.15 -0.55 8.42 8.56 2z9lB1 LYS 269 HA -0.17 -0.04 0.35 -0.75 4.32 3.71 2z9lB1 LYS 269 HB2 0.10 -0.05 0.09 -0.04 1.87 1.97 2z9lB1 LYS 269 HB3 0.05 0.22 0.14 -0.04 1.79 2.15 2z9lB1 LYS 269 HG2 -0.07 0.04 -0.33 -0.04 1.46 1.06 2z9lB1 LYS 269 HG3 -0.11 -0.06 0.00 -0.04 1.46 1.25 2z9lB1 LYS 269 HD2 -0.03 0.03 -0.08 -0.04 1.69 1.57 2z9lB1 LYS 269 HD3 -0.05 -0.01 -0.07 -0.04 1.68 1.51 2z9lB1 LYS 269 HE2 -0.01 0.07 -0.12 -0.04 2.99 2.89 2z9lB1 LYS 269 HE3 0.13 0.02 -0.11 -0.04 2.99 2.99 2z9lB1 GLU 270 H 0.01 0.53 -0.30 -0.55 8.60 8.30 2z9lB1 GLU 270 HA -0.03 -0.02 0.40 -0.75 4.29 3.88 2z9lB1 GLU 270 HB2 0.05 -0.01 0.08 -0.04 2.09 2.18 2z9lB1 GLU 270 HB3 0.05 0.25 0.13 -0.04 1.99 2.37 2z9lB1 GLU 270 HG2 0.08 0.04 -0.13 -0.04 2.34 2.29 2z9lB1 GLU 270 HG3 0.04 -0.07 0.01 -0.04 2.34 2.28 2z9lB1 LEU 271 H -0.03 0.47 -0.16 -0.55 8.37 8.10 2z9lB1 LEU 271 HA 0.03 0.13 0.33 -0.75 4.35 4.09 2z9lB1 LEU 271 HB2 -0.07 0.10 0.20 -0.04 1.64 1.83 2z9lB1 LEU 271 HB3 -0.04 -0.10 -0.12 -0.04 1.64 1.34 2z9lB1 LEU 271 HG -0.05 0.17 -0.01 -0.04 1.64 1.71 2z9lB1 LEU 271 HD13 -0.25 -0.06 -0.13 -0.04 0.93 0.46 2z9lB1 LEU 271 HD23 -0.05 -0.00 -0.11 -0.04 0.89 0.68 2z9lB1 LEU 272 H -0.20 0.67 -0.12 -0.55 8.37 8.18 2z9lB1 LEU 272 HA -0.34 -0.02 0.36 -0.75 4.35 3.59 2z9lB1 LEU 272 HB2 -0.52 0.10 0.07 -0.04 1.64 1.26 2z9lB1 LEU 272 HB3 -1.28 -0.01 -0.03 -0.04 1.64 0.28 2z9lB1 LEU 272 HG -0.43 0.04 -0.05 -0.04 1.64 1.16 2z9lB1 LEU 272 HD13 -0.83 -0.03 -0.08 -0.04 0.93 -0.05 2z9lB1 LEU 272 HD23 -0.51 -0.01 -0.02 -0.04 0.89 0.31 2z9lB1 GLN 273 H -0.18 0.36 -0.37 -0.55 8.47 7.73 2z9lB1 GLN 273 HA -0.04 0.07 0.64 -0.75 4.36 4.28 2z9lB1 GLN 273 HB2 -0.05 0.08 0.14 -0.04 2.15 2.28 2z9lB1 GLN 273 HB3 -0.00 -0.08 0.05 -0.04 2.02 1.95 2z9lB1 GLN 273 HG2 0.04 -0.04 -0.02 -0.04 2.40 2.34 2z9lB1 GLN 273 HG3 -0.12 0.19 0.02 -0.04 2.39 2.44 2z9lB1 GLN 273 HE21 -0.03 -0.06 -0.03 -0.04 6.97 6.80 2z9lB1 GLN 273 HE22 0.02 0.01 -0.02 -0.04 7.69 7.66 2z9lB1 ASN 274 H -0.03 0.47 -0.08 -0.55 8.53 8.35 2z9lB1 ASN 274 HA 0.03 0.17 1.07 -0.75 4.76 5.28 2z9lB1 ASN 274 HB2 0.06 0.14 0.06 -0.04 2.88 3.10 2z9lB1 ASN 274 HB3 0.06 -0.10 0.15 -0.04 2.79 2.86 2z9lB1 ASN 274 HD21 0.02 -0.09 -0.05 -0.04 7.03 6.87 2z9lB1 ASN 274 HD22 0.05 0.05 -0.02 -0.04 7.74 7.78 2z9lB1 GLY 275 H -0.00 0.33 -0.04 -0.55 8.43 8.17 2z9lB1 GLY 275 HA2 0.05 0.02 0.35 -0.51 4.01 3.93 2z9lB1 GLY 275 HA3 0.06 -0.04 0.47 -0.51 4.01 4.00 2z9lB1 MET 276 H 0.12 0.08 0.15 -0.55 8.47 8.28 2z9lB1 MET 276 HA 0.43 0.27 0.72 -0.75 4.52 5.20 2z9lB1 MET 276 HB2 0.20 0.04 -0.00 -0.04 2.15 2.35 2z9lB1 MET 276 HB3 0.46 -0.03 -0.05 -0.04 2.03 2.37 2z9lB1 MET 276 HG2 0.40 0.04 -0.21 -0.04 2.63 2.81 2z9lB1 MET 276 HG3 0.20 -0.05 -0.27 -0.04 2.56 2.39 2z9lB1 MET 276 HE3 0.47 0.02 -0.32 -0.04 2.10 2.22 2z9lB1 ASN 277 H 0.07 0.12 -0.08 -0.55 8.53 8.09 2z9lB1 ASN 277 HA 0.01 0.01 0.33 -0.75 4.76 4.36 2z9lB1 ASN 277 HB2 -0.06 0.12 -0.07 -0.04 2.88 2.82 2z9lB1 ASN 277 HB3 -0.04 -0.02 0.13 -0.04 2.79 2.82 2z9lB1 ASN 277 HD21 0.08 0.07 -0.09 -0.04 7.03 7.04 2z9lB1 ASN 277 HD22 0.08 -0.02 -0.25 -0.04 7.74 7.51 2z9lB1 GLY 278 H 0.01 0.02 -0.06 -0.55 8.43 7.86 2z9lB1 GLY 278 HA2 0.00 -0.01 0.29 -0.51 4.01 3.78 2z9lB1 GLY 278 HA3 -0.03 0.01 0.31 -0.51 4.01 3.79 2z9lB1 ARG 279 H -0.07 0.22 -0.69 -0.55 8.46 7.37 2z9lB1 ARG 279 HA -0.20 0.12 0.78 -0.75 4.34 4.28 2z9lB1 ARG 279 HB2 -0.68 0.39 0.10 -0.04 1.90 1.67 2z9lB1 ARG 279 HB3 -0.80 -0.10 0.09 -0.04 1.80 0.95 2z9lB1 ARG 279 HG2 -0.62 -0.08 0.08 -0.04 1.67 1.01 2z9lB1 ARG 279 HG3 -0.54 0.13 -0.01 -0.04 1.67 1.22 2z9lB1 ARG 279 HD2 -1.52 0.07 -0.02 -0.04 3.22 1.71 2z9lB1 ARG 279 HD3 -3.61 -0.09 0.00 -0.04 3.22 -0.52 2z9lB1 THR 280 H 0.04 0.21 0.17 -0.55 8.28 8.15 2z9lB1 THR 280 HA 0.25 0.31 0.77 -0.75 4.39 4.97 2z9lB1 THR 280 HB 0.16 -0.07 -0.46 -0.04 4.32 3.91 2z9lB1 THR 280 HG23 0.07 0.01 -0.42 -0.04 1.22 0.84 2z9lB1 ILE 281 H 0.28 0.93 0.29 -0.55 8.25 9.20 2z9lB1 ILE 281 HA 0.17 0.13 0.89 -0.75 4.18 4.62 2z9lB1 ILE 281 HB -0.04 0.02 0.03 -0.04 1.89 1.86 2z9lB1 ILE 281 HG12 -0.18 -0.01 -0.09 -0.04 1.49 1.17 2z9lB1 ILE 281 HG13 0.34 -0.02 -0.49 -0.04 1.21 1.01 2z9lB1 ILE 281 HG23 -0.90 0.01 -0.11 -0.04 0.93 -0.12 2z9lB1 ILE 281 HD13 -0.63 0.00 -0.14 -0.04 0.88 0.07 2z9lB1 LEU 282 H -0.05 0.22 0.14 -0.55 8.37 8.13 2z9lB1 LEU 282 HA -0.02 0.10 0.35 -0.75 4.35 4.03 2z9lB1 LEU 282 HB2 -0.14 0.07 -0.10 -0.04 1.64 1.43 2z9lB1 LEU 282 HB3 0.11 0.04 0.23 -0.04 1.64 1.98 2z9lB1 LEU 282 HG -0.57 -0.07 -0.03 -0.04 1.64 0.93 2z9lB1 LEU 282 HD13 -0.91 -0.00 -0.18 -0.04 0.93 -0.20 2z9lB1 LEU 282 HD23 -0.13 0.05 0.03 -0.04 0.89 0.79 2z9lB1 GLY 283 H 0.11 0.02 -0.47 -0.55 8.43 7.55 2z9lB1 GLY 283 HA2 0.11 -0.00 0.18 -0.51 4.01 3.78 2z9lB1 GLY 283 HA3 0.11 0.13 0.37 -0.51 4.01 4.11 2z9lB1 SER 284 H 0.27 0.73 -0.44 -0.55 8.46 8.47 2z9lB1 SER 284 HA 0.17 0.19 0.94 -0.75 4.49 5.03 2z9lB1 SER 284 HB2 0.34 0.05 0.01 -0.04 3.95 4.30 2z9lB1 SER 284 HB3 0.64 0.14 0.16 -0.04 3.93 4.83 2z9lB1 THR 285 H 0.12 0.17 0.14 -0.55 8.28 8.16 2z9lB1 THR 285 HA 0.18 0.28 0.94 -0.75 4.39 5.03 2z9lB1 THR 285 HB 0.09 0.02 0.17 -0.04 4.32 4.55 2z9lB1 THR 285 HG23 0.07 0.03 -0.10 -0.04 1.22 1.19 2z9lB1 ILE 286 H 0.13 0.17 -0.16 -0.55 8.25 7.84 2z9lB1 ILE 286 HA 0.07 0.19 0.66 -0.75 4.18 4.34 2z9lB1 ILE 286 HB -0.02 0.03 0.01 -0.04 1.89 1.87 2z9lB1 ILE 286 HG12 -0.02 -0.02 -0.09 -0.04 1.49 1.32 2z9lB1 ILE 286 HG13 -0.08 -0.06 -0.25 -0.04 1.21 0.78 2z9lB1 ILE 286 HG23 0.02 0.00 -0.17 -0.04 0.93 0.74 2z9lB1 ILE 286 HD13 -0.12 0.04 -0.22 -0.04 0.88 0.55 2z9lB1 LEU 287 H 0.01 0.18 0.04 -0.55 8.37 8.05 2z9lB1 LEU 287 HA -0.14 0.10 0.55 -0.75 4.35 4.10 2z9lB1 LEU 287 HB2 0.05 -0.02 0.07 -0.04 1.64 1.70 2z9lB1 LEU 287 HB3 0.08 0.02 -0.04 -0.04 1.64 1.66 2z9lB1 LEU 287 HG 0.09 -0.01 -0.04 -0.04 1.64 1.64 2z9lB1 LEU 287 HD13 0.09 0.01 -0.10 -0.04 0.93 0.89 2z9lB1 LEU 287 HD23 0.20 0.02 -0.27 -0.04 0.89 0.80 2z9lB1 GLU 288 H -2.25 0.21 0.13 -0.55 8.60 6.14 2z9lB1 GLU 288 HA -0.47 0.08 0.59 -0.75 4.29 3.73 2z9lB1 GLU 288 HB2 -1.68 0.11 0.09 -0.04 2.09 0.57 2z9lB1 GLU 288 HB3 -1.09 -0.03 -0.05 -0.04 1.99 0.78 2z9lB1 GLU 288 HG2 -0.28 0.04 -0.05 -0.04 2.34 2.01 2z9lB1 GLU 288 HG3 -0.12 0.08 -0.04 -0.04 2.34 2.21 2z9lB1 ASP 289 H -0.27 0.18 0.09 -0.55 8.40 7.86 2z9lB1 ASP 289 HA -0.12 0.28 0.86 -0.75 4.63 4.90 2z9lB1 ASP 289 HB2 -0.13 0.02 0.24 -0.04 2.71 2.79 2z9lB1 ASP 289 HB3 -0.19 0.07 -0.13 -0.04 2.70 2.40 2z9lB1 GLU 290 H -0.21 0.14 -0.17 -0.55 8.60 7.81 2z9lB1 GLU 290 HA -0.18 0.27 0.88 -0.75 4.29 4.51 2z9lB1 GLU 290 HB2 -0.36 0.04 0.03 -0.04 2.09 1.76 2z9lB1 GLU 290 HB3 -0.33 0.02 0.04 -0.04 1.99 1.68 2z9lB1 GLU 290 HG2 -0.19 0.07 -0.21 -0.04 2.34 1.97 2z9lB1 GLU 290 HG3 -0.21 -0.06 -0.10 -0.04 2.34 1.94 2z9lB1 PHE 291 H 0.09 0.18 -0.51 -0.55 8.34 7.55 2z9lB1 PHE 291 HA 0.05 0.15 0.77 -0.75 4.62 4.84 2z9lB1 PHE 291 HB2 0.21 0.01 -0.02 -0.04 3.15 3.30 2z9lB1 PHE 291 HB3 0.28 0.05 -0.13 -0.04 3.06 3.22 2z9lB1 PHE 291 HD2 0.08 -0.05 -0.16 -0.04 7.28 7.11 2z9lB1 PHE 291 HE2 -0.07 0.07 -0.09 -0.04 7.38 7.25 2z9lB1 PHE 291 HZ -0.04 -0.04 -0.36 -0.04 7.32 6.84 2z9lB1 THR 292 H 0.15 0.12 0.05 -0.55 8.28 8.05 2z9lB1 THR 292 HA 0.10 0.17 0.50 -0.75 4.39 4.41 2z9lB1 THR 292 HB 0.11 0.03 0.15 -0.04 4.32 4.57 2z9lB1 THR 292 HG23 0.04 0.07 0.08 -0.04 1.22 1.36 2z9lB1 PRO 293 HA 0.11 0.12 0.41 -0.51 4.44 4.57 2z9lB1 PRO 293 HB2 0.11 0.02 0.03 -0.04 2.28 2.40 2z9lB1 PRO 293 HB3 0.05 0.10 0.03 -0.04 2.02 2.16 2z9lB1 PRO 293 HG2 0.07 0.03 -0.00 -0.04 2.03 2.09 2z9lB1 PRO 293 HG3 0.09 0.12 0.03 -0.04 2.03 2.23 2z9lB1 PRO 293 HD2 0.11 0.07 0.18 -0.04 3.68 3.99 2z9lB1 PRO 293 HD3 0.08 0.14 0.13 -0.04 3.65 3.96 2z9lB1 PHE 294 H 0.26 0.10 -0.17 -0.55 8.34 7.98 2z9lB1 PHE 294 HA 0.05 0.11 0.38 -0.75 4.62 4.41 2z9lB1 PHE 294 HB2 0.05 -0.00 0.09 -0.04 3.15 3.25 2z9lB1 PHE 294 HB3 0.07 -0.03 0.03 -0.04 3.06 3.08 2z9lB1 PHE 294 HD2 0.06 -0.00 -0.11 -0.04 7.28 7.19 2z9lB1 PHE 294 HE2 0.06 0.03 -0.01 -0.04 7.38 7.42 2z9lB1 PHE 294 HZ 0.02 0.02 -0.01 -0.04 7.32 7.31 2z9lB1 ASP 295 H 0.28 -0.03 -0.33 -0.55 8.40 7.77 2z9lB1 ASP 295 HA 0.21 0.07 0.31 -0.75 4.63 4.47 2z9lB1 ASP 295 HB2 0.33 0.11 0.07 -0.04 2.71 3.18 2z9lB1 ASP 295 HB3 0.31 0.09 -0.01 -0.04 2.70 3.06 2z9lB1 VAL 296 H 0.21 0.41 -0.26 -0.55 8.24 8.04 2z9lB1 VAL 296 HA 0.33 0.07 0.37 -0.75 4.13 4.15 2z9lB1 VAL 296 HB 0.08 0.02 0.09 -0.04 2.12 2.27 2z9lB1 VAL 296 HG13 -0.07 0.02 -0.12 -0.04 0.97 0.76 2z9lB1 VAL 296 HG23 0.13 0.03 -0.25 -0.04 0.95 0.82 2z9lB1 VAL 297 H 0.02 0.54 -0.11 -0.55 8.24 8.14 2z9lB1 VAL 297 HA -0.03 -0.07 0.37 -0.75 4.13 3.64 2z9lB1 VAL 297 HB -0.17 0.06 0.18 -0.04 2.12 2.15 2z9lB1 VAL 297 HG13 -0.13 -0.00 -0.14 -0.04 0.97 0.66 2z9lB1 VAL 297 HG23 -0.07 0.01 0.02 -0.04 0.95 0.87 2z9lB1 ARG 298 H -0.07 0.50 -0.11 -0.55 8.46 8.22 2z9lB1 ARG 298 HA -0.06 -0.01 0.29 -0.75 4.34 3.81 2z9lB1 ARG 298 HB2 -0.05 -0.05 0.10 -0.04 1.90 1.86 2z9lB1 ARG 298 HB3 0.03 0.07 0.12 -0.04 1.80 1.97 2z9lB1 ARG 298 HG2 0.02 0.08 -0.13 -0.04 1.67 1.60 2z9lB1 ARG 298 HG3 0.04 -0.06 0.03 -0.04 1.67 1.65 2z9lB1 ARG 298 HD2 -0.05 0.02 -0.04 -0.04 3.22 3.11 2z9lB1 ARG 298 HD3 0.10 -0.01 -0.01 -0.04 3.22 3.25 2z9lB1 GLN 299 H 0.06 0.40 -0.21 -0.55 8.47 8.17 2z9lB1 GLN 299 HA 0.01 0.08 0.50 -0.75 4.36 4.18 2z9lB1 GLN 299 HB2 -0.04 -0.09 0.08 -0.04 2.15 2.06 2z9lB1 GLN 299 HB3 0.12 -0.01 0.13 -0.04 2.02 2.22 2z9lB1 GLN 299 HG2 0.04 0.10 -0.17 -0.04 2.40 2.33 2z9lB1 GLN 299 HG3 -0.05 0.01 0.05 -0.04 2.39 2.36 2z9lB1 GLN 299 HE21 -0.44 0.38 0.15 -0.04 6.97 7.01 2z9lB1 GLN 299 HE22 -0.21 0.01 0.03 -0.04 7.69 7.48 2z9lB1 CYS 300 H 0.09 0.66 0.05 -0.55 8.50 8.75 2z9lB1 CYS 300 HA 0.06 0.21 0.80 -0.75 4.58 4.90 2z9lB1 CYS 300 HB2 0.02 -0.08 0.12 -0.04 2.97 2.99 2z9lB1 CYS 300 HB3 -0.00 -0.03 -0.06 -0.04 2.97 2.83 2z9lB1 SER 301 H -0.00 0.07 0.09 -0.55 8.46 8.06 2z9lB1 SER 301 HA -0.03 -0.09 0.19 -0.75 4.49 3.81 2z9lB1 SER 301 HB2 -0.03 0.43 -0.04 -0.04 3.95 4.27 2z9lB1 SER 301 HB3 -0.01 0.07 -0.11 -0.04 3.93 3.83