============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 4 1.000 16.522 52.993 67.596 -99.200 -91.000 TRP 6 1.040 12.153 52.060 70.921 -99.200 -91.000 TRP6 6 1.020 9.926 52.227 71.699 -99.200 -91.000 PHE 7 1.000 10.230 43.396 72.484 -99.200 -91.000 PHE 12 1.000 16.332 44.843 72.775 -99.200 -91.000 PHE 17 1.000 20.141 41.318 69.422 -99.200 -91.000 PHE 29 1.000 15.030 30.228 76.998 -99.200 -91.000 TYR 41 0.840 23.811 49.322 80.268 -99.200 -91.000 TRP 48 1.040 38.065 38.285 83.643 -99.200 -91.000 TRP6 48 1.020 38.952 40.166 84.763 -99.200 -91.000 HIS 57 0.900 31.273 22.179 81.950 -99.200 -91.000 TRP 64 1.040 36.426 20.615 74.391 -99.200 -91.000 TRP6 64 1.020 34.853 19.942 72.753 -99.200 -91.000 TRP 71 1.040 29.378 33.662 68.306 -99.200 -91.000 TRP6 71 1.020 31.099 35.166 67.700 -99.200 -91.000 TRP 76 1.040 24.843 38.182 74.850 -99.200 -91.000 TRP6 76 1.020 26.939 37.544 73.955 -99.200 -91.000 TYR 83 0.840 13.719 31.650 71.530 -99.200 -91.000 PHE 95 1.000 20.192 31.346 79.771 -99.200 -91.000 HIS 98 0.900 24.703 42.280 77.297 -99.200 -91.000 PHE 104 1.000 16.371 36.681 82.579 -99.200 -91.000 PHE 108 1.000 15.375 34.239 87.258 -99.200 -91.000 PHE 109 1.000 11.433 37.354 86.700 -99.200 -91.000 TYR 117 0.840 23.106 43.066 87.339 -99.200 -91.000 TYR 130 0.840 33.031 57.623 71.833 -99.200 -91.000 PHE 131 1.000 37.032 55.254 72.784 -99.200 -91.000 PHE 132 1.000 31.355 45.975 70.936 -99.200 -91.000 TRP 133 1.040 27.534 49.681 71.955 -99.200 -91.000 TRP6 133 1.020 26.811 47.641 71.009 -99.200 -91.000 PHE 138 1.000 25.703 47.253 57.717 -99.200 -91.000 TRP 145 1.040 33.583 62.276 75.264 -99.200 -91.000 TRP6 145 1.020 33.316 60.159 76.283 -99.200 -91.000 TYR 148 0.840 27.980 56.084 73.733 -99.200 -91.000 PHE 149 1.000 29.033 62.686 79.908 -99.200 -91.000 TRP 151 1.040 22.621 60.015 71.905 -99.200 -91.000 TRP6 151 1.020 23.516 58.941 69.991 -99.200 -91.000 PHE 152 1.000 26.138 54.985 80.268 -99.200 -91.000 TYR 159 0.840 21.397 45.036 74.740 -99.200 -91.000 TRP 162 1.040 25.157 50.984 84.486 -99.200 -91.000 TRP6 162 1.020 25.150 51.783 86.722 -99.200 -91.000 PHE 163 1.000 22.277 56.494 85.667 -99.200 -91.000 HIS 165 0.900 20.633 45.811 82.952 -99.200 -91.000 HIS 167 0.900 17.477 52.686 90.509 -99.200 -91.000 TRP 169 1.040 18.278 42.546 85.908 -99.200 -91.000 TRP6 169 1.020 17.413 40.360 86.138 -99.200 -91.000 PHE 178 1.000 20.752 39.136 91.608 -99.200 -91.000 TYR 183 0.840 35.930 44.923 84.661 -99.200 -91.000 PHE 200 1.000 24.777 32.094 92.813 -99.200 -91.000 PHE 219 1.000 42.988 43.634 82.615 -99.200 -91.000 TYR 225 0.840 27.773 41.142 60.636 -99.200 -91.000 TRP 236 1.040 36.456 56.743 85.237 -99.200 -91.000 TRP6 236 1.020 35.934 58.927 85.986 -99.200 -91.000 HIS 239 0.900 38.785 57.925 76.927 -99.200 -91.000 PHE 240 1.000 32.919 60.153 82.175 -99.200 -91.000 PHE 248 1.000 28.010 58.951 85.298 -99.200 -91.000 PHE 252 1.000 26.153 56.186 90.969 -99.200 -91.000 PHE 264 1.000 25.251 51.054 93.262 -99.200 -91.000 TRP 266 1.040 31.026 52.935 90.922 -99.200 -91.000 TRP6 266 1.020 30.079 50.806 90.495 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2qp3A1 SER 2 HA -0.04 -0.09 0.19 -0.75 4.49 3.80 2qp3A1 SER 2 HB2 -0.02 0.01 0.11 -0.04 3.95 4.01 2qp3A1 SER 2 HB3 -0.01 0.01 0.09 -0.04 3.93 3.99 2qp3A1 ASP 3 H -0.17 0.08 0.15 -0.55 8.40 7.92 2qp3A1 ASP 3 HA -0.16 0.20 0.75 -0.75 4.63 4.66 2qp3A1 ASP 3 HB2 -0.73 0.01 0.06 -0.04 2.71 2.00 2qp3A1 ASP 3 HB3 -0.31 0.02 0.06 -0.04 2.70 2.44 2qp3A1 ASP 4 H -0.14 -0.00 0.03 -0.55 8.40 7.75 2qp3A1 ASP 4 HA 0.01 0.05 0.34 -0.75 4.63 4.27 2qp3A1 ASP 4 HB2 0.10 0.22 0.30 -0.04 2.71 3.29 2qp3A1 ASP 4 HB3 0.10 -0.08 0.18 -0.04 2.70 2.87 2qp3A1 PHE 5 H -0.26 0.12 0.02 -0.55 8.34 7.67 2qp3A1 PHE 5 HA -0.01 -0.00 0.40 -0.75 4.62 4.25 2qp3A1 PHE 5 HB2 -0.07 0.08 0.02 -0.04 3.15 3.13 2qp3A1 PHE 5 HB3 -0.08 0.27 0.07 -0.04 3.06 3.28 2qp3A1 PHE 5 HD2 0.02 0.07 -0.60 -0.04 7.28 6.74 2qp3A1 PHE 5 HE2 0.07 -0.00 -0.14 -0.04 7.38 7.27 2qp3A1 PHE 5 HZ -0.18 -0.00 -0.10 -0.04 7.32 6.99 2qp3A1 LEU 6 H 0.19 0.68 0.03 -0.55 8.37 8.72 2qp3A1 LEU 6 HA 0.15 0.05 0.68 -0.75 4.35 4.48 2qp3A1 LEU 6 HB2 0.08 0.04 -0.01 -0.04 1.64 1.70 2qp3A1 LEU 6 HB3 0.10 0.12 -0.06 -0.04 1.64 1.75 2qp3A1 LEU 6 HG -0.00 -0.02 -0.28 -0.04 1.64 1.30 2qp3A1 LEU 6 HD13 0.09 0.01 -0.16 -0.04 0.93 0.83 2qp3A1 LEU 6 HD23 -0.06 0.01 -0.28 -0.04 0.89 0.52 2qp3A1 TRP 7 H 0.38 0.18 0.18 -0.55 7.97 8.16 2qp3A1 TRP 7 HA 0.29 0.20 0.69 -0.75 4.62 5.05 2qp3A1 TRP 7 HB2 0.32 0.04 0.01 -0.04 3.23 3.57 2qp3A1 TRP 7 HB3 0.13 -0.03 0.07 -0.04 3.23 3.35 2qp3A1 TRP 7 HD1 0.11 0.00 -0.26 -0.04 7.22 7.03 2qp3A1 TRP 7 HE1 -0.05 0.09 -0.27 -0.04 10.20 9.92 2qp3A1 TRP 7 HE3 0.04 0.01 -0.14 -0.04 7.59 7.46 2qp3A1 TRP 7 HZ2 -0.02 0.10 -0.06 -0.04 7.44 7.42 2qp3A1 TRP 7 HZ3 -0.02 0.03 -0.05 -0.04 7.13 7.05 2qp3A1 TRP 7 HH2 -0.02 0.06 -0.04 -0.04 7.19 7.15 2qp3A1 PHE 8 H -0.29 0.72 0.20 -0.55 8.34 8.41 2qp3A1 PHE 8 HA -0.20 0.05 0.76 -0.75 4.62 4.47 2qp3A1 PHE 8 HB2 -0.18 -0.01 -0.28 -0.04 3.15 2.64 2qp3A1 PHE 8 HB3 -0.25 0.08 -0.01 -0.04 3.06 2.84 2qp3A1 PHE 8 HD2 -0.11 -0.01 -0.07 -0.04 7.28 7.05 2qp3A1 PHE 8 HE2 -0.06 0.04 -0.08 -0.04 7.38 7.24 2qp3A1 PHE 8 HZ -0.05 0.06 -0.22 -0.04 7.32 7.06 2qp3A1 GLU 9 H -0.74 0.15 0.09 -0.55 8.60 7.56 2qp3A1 GLU 9 HA -0.52 0.03 0.32 -0.75 4.29 3.37 2qp3A1 GLU 9 HB2 -1.24 -0.06 -0.33 -0.04 2.09 0.41 2qp3A1 GLU 9 HB3 -0.29 0.10 0.17 -0.04 1.99 1.93 2qp3A1 GLU 9 HG2 -0.28 0.09 -0.00 -0.04 2.34 2.11 2qp3A1 GLU 9 HG3 -0.25 0.02 0.05 -0.04 2.34 2.11 2qp3A1 GLY 10 H -1.63 0.00 -0.25 -0.55 8.43 6.00 2qp3A1 GLY 10 HA2 -0.51 -0.03 0.21 -0.51 4.01 3.17 2qp3A1 GLY 10 HA3 -0.24 0.12 0.41 -0.51 4.01 3.79 2qp3A1 ILE 11 H -0.61 0.32 -0.41 -0.55 8.25 6.99 2qp3A1 ILE 11 HA -0.22 0.16 0.89 -0.75 4.18 4.26 2qp3A1 ILE 11 HB 0.14 0.10 -0.01 -0.04 1.89 2.08 2qp3A1 ILE 11 HG12 -0.09 0.11 -0.38 -0.04 1.49 1.09 2qp3A1 ILE 11 HG13 0.05 -0.01 -0.10 -0.04 1.21 1.11 2qp3A1 ILE 11 HG23 -0.58 0.01 -0.21 -0.04 0.93 0.11 2qp3A1 ILE 11 HD13 -0.04 0.08 -0.12 -0.04 0.88 0.76 2qp3A1 ALA 12 H -0.34 0.18 0.13 -0.55 8.40 7.82 2qp3A1 ALA 12 HA 0.01 0.20 0.73 -0.75 4.34 4.53 2qp3A1 ALA 12 HB3 -0.59 0.01 -0.14 -0.04 1.41 0.66 2qp3A1 PHE 13 H 0.16 0.65 0.28 -0.55 8.34 8.88 2qp3A1 PHE 13 HA -0.72 0.13 0.91 -0.75 4.62 4.19 2qp3A1 PHE 13 HB2 -0.27 -0.01 0.04 -0.04 3.15 2.87 2qp3A1 PHE 13 HB3 -0.84 0.05 0.06 -0.04 3.06 2.29 2qp3A1 PHE 13 HD2 -0.40 0.08 -0.09 -0.04 7.28 6.83 2qp3A1 PHE 13 HE2 0.03 0.06 -0.06 -0.04 7.38 7.36 2qp3A1 PHE 13 HZ 0.08 0.04 -0.07 -0.04 7.32 7.33 2qp3A1 PRO 14 HA -0.09 0.05 0.51 -0.51 4.44 4.40 2qp3A1 PRO 14 HB2 0.05 0.16 0.02 -0.04 2.28 2.47 2qp3A1 PRO 14 HB3 0.06 0.05 0.09 -0.04 2.02 2.18 2qp3A1 PRO 14 HG2 0.00 0.03 0.05 -0.04 2.03 2.07 2qp3A1 PRO 14 HG3 -0.31 0.05 0.05 -0.04 2.03 1.78 2qp3A1 PRO 14 HD2 -1.43 0.10 0.15 -0.04 3.68 2.46 2qp3A1 PRO 14 HD3 -0.80 0.11 0.21 -0.04 3.65 3.13 2qp3A1 THR 15 H 0.07 0.19 0.15 -0.55 8.28 8.14 2qp3A1 THR 15 HA 0.07 -0.01 0.35 -0.75 4.39 4.05 2qp3A1 THR 15 HB 0.09 -0.03 0.11 -0.04 4.32 4.45 2qp3A1 THR 15 HG23 0.03 -0.01 -0.05 -0.04 1.22 1.14 2qp3A1 MET 16 H 0.12 0.09 -0.00 -0.55 8.47 8.13 2qp3A1 MET 16 HA 0.06 0.07 0.49 -0.75 4.52 4.38 2qp3A1 MET 16 HB2 0.04 0.04 -0.01 -0.04 2.15 2.18 2qp3A1 MET 16 HB3 0.06 -0.01 0.08 -0.04 2.03 2.12 2qp3A1 MET 16 HG2 0.14 -0.05 0.06 -0.04 2.63 2.74 2qp3A1 MET 16 HG3 0.25 0.09 -0.00 -0.04 2.56 2.86 2qp3A1 MET 16 HE3 -0.11 0.01 -0.00 -0.04 2.10 1.96 2qp3A1 GLY 17 H 0.02 0.13 0.16 -0.55 8.43 8.19 2qp3A1 GLY 17 HA2 -0.11 -0.05 0.40 -0.51 4.01 3.74 2qp3A1 GLY 17 HA3 -0.08 0.11 0.44 -0.51 4.01 3.97 2qp3A1 PHE 18 H 0.23 0.39 -0.40 -0.55 8.34 8.00 2qp3A1 PHE 18 HA -0.06 0.07 0.99 -0.75 4.62 4.86 2qp3A1 PHE 18 HB2 -0.03 0.25 -0.06 -0.04 3.15 3.27 2qp3A1 PHE 18 HB3 -0.16 -0.06 0.04 -0.04 3.06 2.84 2qp3A1 PHE 18 HD2 -0.02 0.21 -0.14 -0.04 7.28 7.29 2qp3A1 PHE 18 HE2 0.17 -0.04 -0.11 -0.04 7.38 7.36 2qp3A1 PHE 18 HZ 0.14 -0.05 -0.04 -0.04 7.32 7.33 2qp3A1 ARG 19 H -0.05 0.31 0.19 -0.55 8.46 8.36 2qp3A1 ARG 19 HA -0.04 0.17 0.66 -0.75 4.34 4.38 2qp3A1 ARG 19 HB2 -0.10 -0.03 -0.00 -0.04 1.90 1.73 2qp3A1 ARG 19 HB3 -0.08 -0.10 0.04 -0.04 1.80 1.63 2qp3A1 ARG 19 HG2 -0.03 0.07 0.11 -0.04 1.67 1.78 2qp3A1 ARG 19 HG3 -0.03 0.07 -0.54 -0.04 1.67 1.13 2qp3A1 ARG 19 HD2 -0.06 -0.02 -0.08 -0.04 3.22 3.02 2qp3A1 ARG 19 HD3 -0.05 -0.03 -0.02 -0.04 3.22 3.09 2qp3A1 SER 20 H -0.07 0.23 0.15 -0.55 8.46 8.22 2qp3A1 SER 20 HA -0.44 0.13 0.41 -0.75 4.49 3.84 2qp3A1 SER 20 HB2 0.01 -0.03 0.15 -0.04 3.95 4.03 2qp3A1 SER 20 HB3 0.14 0.06 0.03 -0.04 3.93 4.12 2qp3A1 GLU 21 H -0.08 0.12 -0.05 -0.55 8.60 8.04 2qp3A1 GLU 21 HA -0.05 0.10 0.36 -0.75 4.29 3.95 2qp3A1 GLU 21 HB2 -0.04 0.00 0.10 -0.04 2.09 2.11 2qp3A1 GLU 21 HB3 -0.09 -0.00 -0.00 -0.04 1.99 1.86 2qp3A1 GLU 21 HG2 -0.04 0.03 -0.01 -0.04 2.34 2.28 2qp3A1 GLU 21 HG3 -0.08 0.04 -0.11 -0.04 2.34 2.15 2qp3A1 THR 22 H -0.20 0.08 -0.44 -0.55 8.28 7.18 2qp3A1 THR 22 HA -0.39 0.09 0.45 -0.75 4.39 3.79 2qp3A1 THR 22 HB -0.23 0.11 0.12 -0.04 4.32 4.27 2qp3A1 THR 22 HG23 -0.46 0.02 -0.13 -0.04 1.22 0.61 2qp3A1 LEU 23 H -0.39 0.40 0.05 -0.55 8.37 7.90 2qp3A1 LEU 23 HA -0.29 0.05 0.41 -0.75 4.35 3.76 2qp3A1 LEU 23 HB2 -1.57 0.06 0.17 -0.04 1.64 0.25 2qp3A1 LEU 23 HB3 -1.40 0.02 0.04 -0.04 1.64 0.26 2qp3A1 LEU 23 HG -0.56 0.17 0.08 -0.04 1.64 1.29 2qp3A1 LEU 23 HD13 -1.33 -0.02 -0.10 -0.04 0.93 -0.57 2qp3A1 LEU 23 HD23 -0.35 0.00 0.06 -0.04 0.89 0.56 2qp3A1 ARG 24 H -0.21 0.54 -0.28 -0.55 8.46 7.96 2qp3A1 ARG 24 HA 0.22 0.05 0.43 -0.75 4.34 4.29 2qp3A1 ARG 24 HB2 0.15 -0.04 0.05 -0.04 1.90 2.03 2qp3A1 ARG 24 HB3 0.01 0.14 0.12 -0.04 1.80 2.02 2qp3A1 ARG 24 HG2 0.06 -0.04 -0.03 -0.04 1.67 1.62 2qp3A1 ARG 24 HG3 0.06 -0.00 -0.16 -0.04 1.67 1.53 2qp3A1 ARG 24 HD2 0.07 0.00 0.00 -0.04 3.22 3.25 2qp3A1 ARG 24 HD3 0.14 0.03 0.08 -0.04 3.22 3.42 2qp3A1 LYS 25 H -0.10 0.41 -0.14 -0.55 8.42 8.04 2qp3A1 LYS 25 HA 0.05 -0.01 0.50 -0.75 4.32 4.12 2qp3A1 LYS 25 HB2 -0.28 0.11 0.18 -0.04 1.87 1.84 2qp3A1 LYS 25 HB3 0.07 -0.06 0.07 -0.04 1.79 1.82 2qp3A1 LYS 25 HG2 -0.12 0.50 0.19 -0.04 1.46 1.98 2qp3A1 LYS 25 HG3 -0.12 -0.07 0.01 -0.04 1.46 1.24 2qp3A1 LYS 25 HD2 -0.01 -0.04 -0.01 -0.04 1.69 1.59 2qp3A1 LYS 25 HD3 0.03 -0.02 0.01 -0.04 1.68 1.66 2qp3A1 LYS 25 HE2 0.02 -0.13 -0.54 -0.04 2.99 2.30 2qp3A1 LYS 25 HE3 -0.01 0.01 -0.03 -0.04 2.99 2.92 2qp3A1 VAL 26 H -0.01 0.64 -0.10 -0.55 8.24 8.22 2qp3A1 VAL 26 HA 0.27 -0.04 0.39 -0.75 4.13 4.01 2qp3A1 VAL 26 HB 0.03 0.17 0.17 -0.04 2.12 2.45 2qp3A1 VAL 26 HG13 -0.01 -0.01 -0.18 -0.04 0.97 0.74 2qp3A1 VAL 26 HG23 0.07 0.02 -0.04 -0.04 0.95 0.96 2qp3A1 ARG 27 H 0.10 0.36 -0.19 -0.55 8.46 8.19 2qp3A1 ARG 27 HA 0.15 0.08 0.18 -0.75 4.34 4.00 2qp3A1 ARG 27 HB2 0.18 0.16 0.02 -0.04 1.90 2.21 2qp3A1 ARG 27 HB3 0.15 -0.00 0.12 -0.04 1.80 2.03 2qp3A1 ARG 27 HG2 0.11 -0.07 -0.04 -0.04 1.67 1.63 2qp3A1 ARG 27 HG3 0.11 -0.06 -0.34 -0.04 1.67 1.33 2qp3A1 ARG 27 HD2 0.17 -0.00 -0.03 -0.04 3.22 3.32 2qp3A1 ARG 27 HD3 0.16 0.00 -0.27 -0.04 3.22 3.07 2qp3A1 ASP 28 H 0.11 0.41 -0.09 -0.55 8.40 8.28 2qp3A1 ASP 28 HA 0.09 0.15 0.85 -0.75 4.63 4.97 2qp3A1 ASP 28 HB2 0.07 0.05 0.11 -0.04 2.71 2.89 2qp3A1 ASP 28 HB3 0.06 -0.06 0.01 -0.04 2.70 2.67 2qp3A1 GLU 29 H 0.14 0.68 0.17 -0.55 8.60 9.04 2qp3A1 GLU 29 HA 0.08 0.23 1.15 -0.75 4.29 4.99 2qp3A1 GLU 29 HB2 0.14 -0.02 0.16 -0.04 2.09 2.33 2qp3A1 GLU 29 HB3 0.10 -0.04 -0.05 -0.04 1.99 1.97 2qp3A1 GLU 29 HG2 0.05 0.02 -0.04 -0.04 2.34 2.33 2qp3A1 GLU 29 HG3 0.06 -0.05 -0.25 -0.04 2.34 2.06 2qp3A1 PHE 30 H 0.31 0.50 0.17 -0.55 8.34 8.76 2qp3A1 PHE 30 HA -0.04 -0.06 0.30 -0.75 4.62 4.07 2qp3A1 PHE 30 HB2 0.09 -0.06 0.13 -0.04 3.15 3.27 2qp3A1 PHE 30 HB3 -0.02 0.11 0.12 -0.04 3.06 3.23 2qp3A1 PHE 30 HD2 -0.40 -0.06 -0.21 -0.04 7.28 6.56 2qp3A1 PHE 30 HE2 -0.41 -0.03 -0.14 -0.04 7.38 6.75 2qp3A1 PHE 30 HZ -0.56 -0.01 -0.09 -0.04 7.32 6.62 2qp3A1 VAL 31 H -0.69 0.10 0.17 -0.55 8.24 7.28 2qp3A1 VAL 31 HA -0.09 0.12 0.84 -0.75 4.13 4.25 2qp3A1 VAL 31 HB -0.29 -0.03 0.13 -0.04 2.12 1.89 2qp3A1 VAL 31 HG13 -0.09 -0.02 -0.15 -0.04 0.97 0.68 2qp3A1 VAL 31 HG23 -0.09 0.02 0.03 -0.04 0.95 0.86 2qp3A1 ILE 32 H 0.02 0.17 0.08 -0.55 8.25 7.97 2qp3A1 ILE 32 HA 0.07 0.16 0.84 -0.75 4.18 4.50 2qp3A1 ILE 32 HB 0.22 -0.03 -0.17 -0.04 1.89 1.87 2qp3A1 ILE 32 HG12 0.52 0.03 -0.13 -0.04 1.49 1.87 2qp3A1 ILE 32 HG13 0.43 0.00 -0.34 -0.04 1.21 1.26 2qp3A1 ILE 32 HG23 0.32 -0.02 -0.26 -0.04 0.93 0.94 2qp3A1 ILE 32 HD13 0.22 0.00 -0.13 -0.04 0.88 0.93 2qp3A1 ARG 33 H 0.11 0.18 0.17 -0.55 8.46 8.36 2qp3A1 ARG 33 HA 0.03 0.20 0.84 -0.75 4.34 4.65 2qp3A1 ARG 33 HB2 0.05 -0.07 0.13 -0.04 1.90 1.96 2qp3A1 ARG 33 HB3 0.01 0.00 0.11 -0.04 1.80 1.88 2qp3A1 ARG 33 HG2 -0.03 0.05 -0.09 -0.04 1.67 1.56 2qp3A1 ARG 33 HG3 -0.04 0.03 -0.12 -0.04 1.67 1.50 2qp3A1 ARG 33 HD2 0.00 -0.06 0.03 -0.04 3.22 3.16 2qp3A1 ARG 33 HD3 -0.02 -0.03 0.03 -0.04 3.22 3.16 2qp3A1 ASP 34 H 0.03 0.22 0.18 -0.55 8.40 8.27 2qp3A1 ASP 34 HA 0.06 -0.03 0.29 -0.75 4.63 4.19 2qp3A1 ASP 34 HB2 0.01 0.01 0.08 -0.04 2.71 2.76 2qp3A1 ASP 34 HB3 0.01 0.14 0.04 -0.04 2.70 2.85 2qp3A1 GLU 35 H 0.04 -0.13 -0.66 -0.55 8.60 7.30 2qp3A1 GLU 35 HA 0.01 0.28 0.75 -0.75 4.29 4.57 2qp3A1 GLU 35 HB2 0.02 -0.08 -0.03 -0.04 2.09 1.96 2qp3A1 GLU 35 HB3 0.00 0.08 0.08 -0.04 1.99 2.11 2qp3A1 GLU 35 HG2 0.01 -0.00 -0.19 -0.04 2.34 2.11 2qp3A1 GLU 35 HG3 0.01 -0.10 -0.02 -0.04 2.34 2.20 2qp3A1 ASP 36 H 0.09 0.38 -0.05 -0.55 8.40 8.27 2qp3A1 ASP 36 HA 0.09 0.02 0.63 -0.75 4.63 4.61 2qp3A1 ASP 36 HB2 0.24 0.06 0.12 -0.04 2.71 3.09 2qp3A1 ASP 36 HB3 0.37 0.08 0.01 -0.04 2.70 3.12 2qp3A1 VAL 37 H -0.04 0.70 0.44 -0.55 8.24 8.80 2qp3A1 VAL 37 HA -0.06 0.40 0.97 -0.75 4.13 4.69 2qp3A1 VAL 37 HB -0.09 -0.07 0.15 -0.04 2.12 2.08 2qp3A1 VAL 37 HG13 -0.06 -0.02 -0.16 -0.04 0.97 0.68 2qp3A1 VAL 37 HG23 -0.03 0.03 -0.11 -0.04 0.95 0.80 2qp3A1 ILE 38 H -0.21 0.60 0.31 -0.55 8.25 8.40 2qp3A1 ILE 38 HA -0.68 0.33 1.25 -0.75 4.18 4.32 2qp3A1 ILE 38 HB -0.36 -0.05 -0.06 -0.04 1.89 1.39 2qp3A1 ILE 38 HG12 -1.52 -0.00 -0.35 -0.04 1.49 -0.42 2qp3A1 ILE 38 HG13 -0.29 0.09 -0.34 -0.04 1.21 0.63 2qp3A1 ILE 38 HG23 -0.51 -0.00 -0.25 -0.04 0.93 0.13 2qp3A1 ILE 38 HD13 0.20 -0.01 -0.20 -0.04 0.88 0.83 2qp3A1 ILE 39 H -0.38 0.63 0.35 -0.55 8.25 8.30 2qp3A1 ILE 39 HA -0.29 0.18 0.81 -0.75 4.18 4.12 2qp3A1 ILE 39 HB -0.29 -0.09 0.13 -0.04 1.89 1.60 2qp3A1 ILE 39 HG12 -0.23 0.08 -0.14 -0.04 1.49 1.16 2qp3A1 ILE 39 HG13 -0.18 -0.04 -0.16 -0.04 1.21 0.79 2qp3A1 ILE 39 HG23 -0.19 -0.02 -0.17 -0.04 0.93 0.51 2qp3A1 ILE 39 HD13 -0.16 0.01 -0.16 -0.04 0.88 0.52 2qp3A1 LEU 40 H -0.42 0.86 0.37 -0.55 8.37 8.64 2qp3A1 LEU 40 HA -0.35 0.31 1.08 -0.75 4.35 4.63 2qp3A1 LEU 40 HB2 -0.69 -0.04 0.05 -0.04 1.64 0.91 2qp3A1 LEU 40 HB3 -0.84 0.02 -0.08 -0.04 1.64 0.71 2qp3A1 LEU 40 HG -0.63 0.01 -0.29 -0.04 1.64 0.68 2qp3A1 LEU 40 HD13 -1.69 0.00 -0.17 -0.04 0.93 -0.97 2qp3A1 LEU 40 HD23 -0.68 0.02 -0.18 -0.04 0.89 0.01 2qp3A1 THR 41 H -0.14 0.54 0.28 -0.55 8.28 8.41 2qp3A1 THR 41 HA -0.53 0.24 0.74 -0.75 4.39 4.08 2qp3A1 THR 41 HB -0.02 0.02 0.02 -0.04 4.32 4.30 2qp3A1 THR 41 HG23 -0.15 -0.03 -0.36 -0.04 1.22 0.64 2qp3A1 TYR 42 H -0.06 0.17 0.15 -0.55 8.29 8.00 2qp3A1 TYR 42 HA -0.50 0.25 0.63 -0.75 4.56 4.19 2qp3A1 TYR 42 HB2 -0.55 0.02 0.08 -0.04 3.06 2.58 2qp3A1 TYR 42 HB3 0.05 -0.11 0.08 -0.04 2.98 2.96 2qp3A1 TYR 42 HD2 -0.05 0.01 -0.13 -0.04 7.15 6.94 2qp3A1 TYR 42 HE2 0.19 0.07 -0.31 -0.04 6.85 6.77 2qp3A1 PRO 43 HA -0.58 -0.16 0.35 -0.51 4.44 3.54 2qp3A1 PRO 43 HB2 -0.07 0.03 -0.05 -0.04 2.28 2.14 2qp3A1 PRO 43 HB3 -1.00 -0.01 0.07 -0.04 2.02 1.04 2qp3A1 PRO 43 HG2 -0.73 0.05 0.03 -0.04 2.03 1.34 2qp3A1 PRO 43 HG3 -0.62 0.10 -0.01 -0.04 2.03 1.46 2qp3A1 PRO 43 HD2 -1.48 0.16 0.21 -0.04 3.68 2.53 2qp3A1 PRO 43 HD3 -1.00 0.15 0.21 -0.04 3.65 2.97 2qp3A1 LYS 44 H -0.09 0.02 0.15 -0.55 8.42 7.94 2qp3A1 LYS 44 HA -0.08 -0.08 0.31 -0.75 4.32 3.72 2qp3A1 LYS 44 HB2 0.10 0.36 0.04 -0.04 1.87 2.33 2qp3A1 LYS 44 HB3 -0.01 -0.05 0.18 -0.04 1.79 1.87 2qp3A1 LYS 44 HG2 -0.29 -0.06 -0.23 -0.04 1.46 0.84 2qp3A1 LYS 44 HG3 -0.17 0.06 -0.26 -0.04 1.46 1.05 2qp3A1 LYS 44 HD2 -0.27 0.05 -0.10 -0.04 1.69 1.33 2qp3A1 LYS 44 HD3 -0.25 -0.12 0.01 -0.04 1.68 1.28 2qp3A1 LYS 44 HE2 -1.06 -0.05 -0.03 -0.04 2.99 1.80 2qp3A1 LYS 44 HE3 -2.01 0.08 -0.05 -0.04 2.99 0.96 2qp3A1 SER 45 H 0.07 0.04 0.01 -0.55 8.46 8.05 2qp3A1 SER 45 HA -0.00 0.17 0.77 -0.75 4.49 4.67 2qp3A1 SER 45 HB2 0.09 0.03 -0.04 -0.04 3.95 3.99 2qp3A1 SER 45 HB3 0.14 -0.10 -0.04 -0.04 3.93 3.89 2qp3A1 GLY 46 H 0.12 -0.06 -0.04 -0.55 8.43 7.89 2qp3A1 GLY 46 HA2 0.37 0.04 0.19 -0.51 4.01 4.10 2qp3A1 GLY 46 HA3 0.48 0.30 0.87 -0.51 4.01 5.15 2qp3A1 THR 47 H 0.15 -0.04 0.02 -0.55 8.28 7.87 2qp3A1 THR 47 HA 0.05 0.16 0.18 -0.75 4.39 4.02 2qp3A1 THR 47 HB 0.23 0.02 -0.06 -0.04 4.32 4.46 2qp3A1 THR 47 HG23 -0.06 0.04 -0.13 -0.04 1.22 1.03 2qp3A1 ASN 48 H 0.17 0.03 -0.17 -0.55 8.53 8.02 2qp3A1 ASN 48 HA 0.10 0.11 0.36 -0.75 4.76 4.58 2qp3A1 ASN 48 HB2 0.14 -0.05 0.03 -0.04 2.88 2.96 2qp3A1 ASN 48 HB3 0.10 0.14 -0.02 -0.04 2.79 2.97 2qp3A1 ASN 48 HD21 0.15 0.02 -0.00 -0.04 7.03 7.15 2qp3A1 ASN 48 HD22 0.08 0.07 -0.00 -0.04 7.74 7.85 2qp3A1 TRP 49 H 0.35 0.04 -0.27 -0.55 7.97 7.54 2qp3A1 TRP 49 HA 0.03 0.11 0.31 -0.75 4.62 4.32 2qp3A1 TRP 49 HB2 0.12 -0.07 0.05 -0.04 3.23 3.29 2qp3A1 TRP 49 HB3 0.06 0.08 0.06 -0.04 3.23 3.39 2qp3A1 TRP 49 HD1 0.01 -0.06 0.03 -0.04 7.22 7.16 2qp3A1 TRP 49 HE1 0.02 0.37 -0.11 -0.04 10.20 10.43 2qp3A1 TRP 49 HE3 -0.09 -0.05 -0.05 -0.04 7.59 7.36 2qp3A1 TRP 49 HZ2 0.05 -0.01 -0.06 -0.04 7.44 7.38 2qp3A1 TRP 49 HZ3 -0.50 -0.06 -0.06 -0.04 7.13 6.46 2qp3A1 TRP 49 HH2 -0.07 -0.03 0.00 -0.04 7.19 7.06 2qp3A1 LEU 50 H 0.16 0.41 -0.18 -0.55 8.37 8.21 2qp3A1 LEU 50 HA -0.10 0.01 0.32 -0.75 4.35 3.82 2qp3A1 LEU 50 HB2 -0.06 -0.03 -0.03 -0.04 1.64 1.47 2qp3A1 LEU 50 HB3 -0.04 0.08 -0.01 -0.04 1.64 1.63 2qp3A1 LEU 50 HG -0.11 0.03 -0.19 -0.04 1.64 1.33 2qp3A1 LEU 50 HD13 -0.15 -0.01 -0.06 -0.04 0.93 0.67 2qp3A1 LEU 50 HD23 -0.15 -0.01 -0.16 -0.04 0.89 0.53 2qp3A1 ALA 51 H 0.03 0.56 -0.23 -0.55 8.40 8.22 2qp3A1 ALA 51 HA -0.06 0.01 0.31 -0.75 4.34 3.85 2qp3A1 ALA 51 HB3 -0.05 0.02 0.02 -0.04 1.41 1.35 2qp3A1 GLU 52 H 0.11 0.57 -0.18 -0.55 8.60 8.54 2qp3A1 GLU 52 HA 0.05 0.00 0.33 -0.75 4.29 3.92 2qp3A1 GLU 52 HB2 0.27 0.17 0.20 -0.04 2.09 2.69 2qp3A1 GLU 52 HB3 0.12 0.01 -0.04 -0.04 1.99 2.05 2qp3A1 GLU 52 HG2 0.10 0.18 0.03 -0.04 2.34 2.60 2qp3A1 GLU 52 HG3 0.09 -0.06 -0.04 -0.04 2.34 2.28 2qp3A1 ILE 53 H 0.12 0.52 -0.06 -0.55 8.25 8.28 2qp3A1 ILE 53 HA 0.06 0.00 0.25 -0.75 4.18 3.74 2qp3A1 ILE 53 HB -0.05 0.10 0.07 -0.04 1.89 1.98 2qp3A1 ILE 53 HG12 0.06 0.24 0.06 -0.04 1.49 1.80 2qp3A1 ILE 53 HG13 -0.23 -0.09 -0.07 -0.04 1.21 0.78 2qp3A1 ILE 53 HG23 -0.03 -0.02 -0.17 -0.04 0.93 0.67 2qp3A1 ILE 53 HD13 0.01 -0.01 -0.02 -0.04 0.88 0.82 2qp3A1 LEU 54 H -0.01 0.57 -0.23 -0.55 8.37 8.14 2qp3A1 LEU 54 HA -0.00 -0.01 0.35 -0.75 4.35 3.93 2qp3A1 LEU 54 HB2 -0.05 0.11 0.07 -0.04 1.64 1.73 2qp3A1 LEU 54 HB3 -0.04 -0.01 -0.06 -0.04 1.64 1.49 2qp3A1 LEU 54 HG -0.06 0.14 -0.03 -0.04 1.64 1.65 2qp3A1 LEU 54 HD13 -0.09 -0.01 -0.14 -0.04 0.93 0.65 2qp3A1 LEU 54 HD23 -0.03 -0.02 -0.10 -0.04 0.89 0.70 2qp3A1 CYS 55 H 0.00 0.73 -0.08 -0.55 8.50 8.60 2qp3A1 CYS 55 HA 0.02 0.02 0.41 -0.75 4.58 4.28 2qp3A1 CYS 55 HB2 0.02 0.13 0.14 -0.04 2.97 3.22 2qp3A1 CYS 55 HB3 0.04 -0.11 -0.02 -0.04 2.97 2.83 2qp3A1 LEU 56 H 0.04 0.81 -0.17 -0.55 8.37 8.51 2qp3A1 LEU 56 HA 0.05 -0.01 0.29 -0.75 4.35 3.92 2qp3A1 LEU 56 HB2 0.05 0.17 0.04 -0.04 1.64 1.85 2qp3A1 LEU 56 HB3 0.04 -0.14 -0.11 -0.04 1.64 1.39 2qp3A1 LEU 56 HG 0.05 0.10 -0.11 -0.04 1.64 1.64 2qp3A1 LEU 56 HD13 0.07 0.02 -0.32 -0.04 0.93 0.67 2qp3A1 LEU 56 HD23 0.04 -0.01 -0.22 -0.04 0.89 0.66 2qp3A1 MET 57 H 0.03 0.63 -0.21 -0.55 8.47 8.38 2qp3A1 MET 57 HA 0.02 -0.07 0.33 -0.75 4.52 4.04 2qp3A1 MET 57 HB2 0.03 0.20 0.14 -0.04 2.15 2.48 2qp3A1 MET 57 HB3 0.02 -0.04 -0.06 -0.04 2.03 1.91 2qp3A1 MET 57 HG2 0.01 -0.11 -0.07 -0.04 2.63 2.41 2qp3A1 MET 57 HG3 0.01 0.21 -0.02 -0.04 2.56 2.72 2qp3A1 MET 57 HE3 0.01 -0.01 -0.20 -0.04 2.10 1.86 2qp3A1 HIS 58 H 0.11 0.47 -0.26 -0.55 8.41 8.19 2qp3A1 HIS 58 HA -0.03 0.06 0.49 -0.75 4.63 4.39 2qp3A1 HIS 58 HB2 -0.04 0.05 0.09 -0.04 3.26 3.32 2qp3A1 HIS 58 HB3 -0.04 0.09 0.16 -0.04 3.20 3.37 2qp3A1 HIS 58 HD2 -0.05 0.01 0.03 -0.04 6.97 6.91 2qp3A1 HIS 58 HE1 -0.15 -0.04 -0.01 -0.04 7.75 7.50 2qp3A1 SER 59 H 0.05 0.57 -0.09 -0.55 8.46 8.44 2qp3A1 SER 59 HA -0.11 0.10 0.60 -0.75 4.49 4.32 2qp3A1 SER 59 HB2 0.05 -0.14 0.22 -0.04 3.95 4.04 2qp3A1 SER 59 HB3 0.05 -0.03 0.10 -0.04 3.93 4.01 2qp3A1 LYS 60 H -0.03 0.31 -0.80 -0.55 8.42 7.34 2qp3A1 LYS 60 HA -0.01 0.07 0.28 -0.75 4.32 3.90 2qp3A1 LYS 60 HB2 -0.04 0.07 -0.44 -0.04 1.87 1.42 2qp3A1 LYS 60 HB3 -0.01 -0.12 0.28 -0.04 1.79 1.89 2qp3A1 LYS 60 HG2 -0.04 -0.06 0.03 -0.04 1.46 1.35 2qp3A1 LYS 60 HG3 -0.02 -0.14 0.10 -0.04 1.46 1.36 2qp3A1 LYS 60 HD2 -0.05 0.24 0.06 -0.04 1.69 1.91 2qp3A1 LYS 60 HD3 -0.10 0.12 -0.06 -0.04 1.68 1.60 2qp3A1 LYS 60 HE2 -0.04 -0.09 0.10 -0.04 2.99 2.93 2qp3A1 LYS 60 HE3 -0.06 0.09 0.09 -0.04 2.99 3.06 2qp3A1 GLY 61 H 0.02 0.61 -0.25 -0.55 8.43 8.26 2qp3A1 GLY 61 HA2 0.03 -0.03 0.14 -0.51 4.01 3.64 2qp3A1 GLY 61 HA3 0.02 0.10 0.61 -0.51 4.01 4.22 2qp3A1 ASP 62 H 0.03 0.52 -0.45 -0.55 8.40 7.95 2qp3A1 ASP 62 HA 0.04 -0.00 0.45 -0.75 4.63 4.36 2qp3A1 ASP 62 HB2 0.05 0.06 0.12 -0.04 2.71 2.90 2qp3A1 ASP 62 HB3 0.07 0.15 0.23 -0.04 2.70 3.11 2qp3A1 ALA 63 H 0.04 0.19 0.19 -0.55 8.40 8.27 2qp3A1 ALA 63 HA 0.06 0.14 0.51 -0.75 4.34 4.30 2qp3A1 ALA 63 HB3 0.02 0.03 0.10 -0.04 1.41 1.52 2qp3A1 LYS 64 H 0.09 0.06 -0.77 -0.55 8.42 7.25 2qp3A1 LYS 64 HA 0.00 0.11 0.35 -0.75 4.32 4.02 2qp3A1 LYS 64 HB2 0.09 0.01 0.07 -0.04 1.87 2.00 2qp3A1 LYS 64 HB3 0.20 -0.22 0.18 -0.04 1.79 1.92 2qp3A1 LYS 64 HG2 -0.06 0.02 0.00 -0.04 1.46 1.39 2qp3A1 LYS 64 HG3 -0.01 0.01 0.01 -0.04 1.46 1.44 2qp3A1 LYS 64 HD2 -0.40 0.02 -0.15 -0.04 1.69 1.12 2qp3A1 LYS 64 HD3 -0.25 0.01 -0.05 -0.04 1.68 1.36 2qp3A1 LYS 64 HE2 -0.02 0.01 0.01 -0.04 2.99 2.95 2qp3A1 LYS 64 HE3 0.09 -0.03 0.03 -0.04 2.99 3.05 2qp3A1 TRP 65 H 0.42 0.15 0.04 -0.55 7.97 8.04 2qp3A1 TRP 65 HA -0.00 0.01 0.34 -0.75 4.62 4.21 2qp3A1 TRP 65 HB2 0.01 0.02 0.08 -0.04 3.23 3.30 2qp3A1 TRP 65 HB3 0.00 0.07 -0.03 -0.04 3.23 3.23 2qp3A1 TRP 65 HD1 0.01 -0.05 0.09 -0.04 7.22 7.23 2qp3A1 TRP 65 HE1 0.01 0.00 0.03 -0.04 10.20 10.19 2qp3A1 TRP 65 HE3 0.00 0.01 -0.00 -0.04 7.59 7.56 2qp3A1 TRP 65 HZ2 0.01 -0.01 0.01 -0.04 7.44 7.41 2qp3A1 TRP 65 HZ3 0.01 0.02 -0.00 -0.04 7.13 7.11 2qp3A1 TRP 65 HH2 0.01 -0.00 0.00 -0.04 7.19 7.16 2qp3A1 ILE 66 H 0.21 0.07 -0.42 -0.55 8.25 7.57 2qp3A1 ILE 66 HA 0.08 0.03 0.20 -0.75 4.18 3.75 2qp3A1 ILE 66 HB 0.06 -0.01 -0.14 -0.04 1.89 1.77 2qp3A1 ILE 66 HG12 0.07 0.01 -0.08 -0.04 1.49 1.45 2qp3A1 ILE 66 HG13 0.13 -0.09 -0.07 -0.04 1.21 1.13 2qp3A1 ILE 66 HG23 0.03 0.01 -0.14 -0.04 0.93 0.79 2qp3A1 ILE 66 HD13 0.06 0.06 -0.37 -0.04 0.88 0.59 2qp3A1 GLN 67 H 0.04 0.52 -0.45 -0.55 8.47 8.03 2qp3A1 GLN 67 HA -0.01 -0.00 0.42 -0.75 4.36 4.01 2qp3A1 GLN 67 HB2 -0.01 0.09 0.19 -0.04 2.15 2.39 2qp3A1 GLN 67 HB3 -0.02 0.05 0.22 -0.04 2.02 2.22 2qp3A1 GLN 67 HG2 -0.03 -0.10 -0.01 -0.04 2.40 2.22 2qp3A1 GLN 67 HG3 -0.03 -0.03 -0.24 -0.04 2.39 2.04 2qp3A1 GLN 67 HE21 -0.03 -0.03 0.03 -0.04 6.97 6.90 2qp3A1 GLN 67 HE22 -0.03 -0.01 -0.03 -0.04 7.69 7.57 2qp3A1 SER 68 H -0.03 0.21 -0.02 -0.55 8.46 8.07 2qp3A1 SER 68 HA -0.05 0.00 0.47 -0.75 4.49 4.16 2qp3A1 SER 68 HB2 -0.08 -0.06 -0.00 -0.04 3.95 3.77 2qp3A1 SER 68 HB3 -0.11 -0.07 0.07 -0.04 3.93 3.77 2qp3A1 VAL 69 H 0.03 0.38 0.03 -0.55 8.24 8.13 2qp3A1 VAL 69 HA -0.02 -0.03 0.33 -0.75 4.13 3.66 2qp3A1 VAL 69 HB 0.06 0.02 -0.09 -0.04 2.12 2.07 2qp3A1 VAL 69 HG13 -0.00 0.02 -0.21 -0.04 0.97 0.74 2qp3A1 VAL 69 HG23 0.22 -0.00 -0.02 -0.04 0.95 1.11 2qp3A1 PRO 70 HA -0.33 0.20 0.56 -0.51 4.44 4.36 2qp3A1 PRO 70 HB2 -1.73 -0.13 0.01 -0.04 2.28 0.39 2qp3A1 PRO 70 HB3 -0.49 0.12 0.10 -0.04 2.02 1.72 2qp3A1 PRO 70 HG2 -0.67 -0.10 -0.03 -0.04 2.03 1.19 2qp3A1 PRO 70 HG3 -0.21 0.04 0.03 -0.04 2.03 1.85 2qp3A1 PRO 70 HD2 -0.10 0.03 0.17 -0.04 3.68 3.75 2qp3A1 PRO 70 HD3 -0.11 0.27 0.19 -0.04 3.65 3.96 2qp3A1 ILE 71 H -0.38 0.19 0.14 -0.55 8.25 7.65 2qp3A1 ILE 71 HA -0.10 0.14 0.32 -0.75 4.18 3.79 2qp3A1 ILE 71 HB 0.25 -0.01 -0.04 -0.04 1.89 2.05 2qp3A1 ILE 71 HG12 -0.25 0.06 0.14 -0.04 1.49 1.40 2qp3A1 ILE 71 HG13 0.37 -0.39 0.11 -0.04 1.21 1.26 2qp3A1 ILE 71 HG23 0.04 0.03 0.07 -0.04 0.93 1.03 2qp3A1 ILE 71 HD13 0.47 0.02 0.02 -0.04 0.88 1.35 2qp3A1 TRP 72 H 0.01 0.12 -0.11 -0.55 7.97 7.44 2qp3A1 TRP 72 HA 0.35 0.07 0.18 -0.75 4.62 4.46 2qp3A1 TRP 72 HB2 0.36 -0.04 0.11 -0.04 3.23 3.62 2qp3A1 TRP 72 HB3 0.53 -0.02 0.07 -0.04 3.23 3.77 2qp3A1 TRP 72 HD1 0.13 0.04 -0.32 -0.04 7.22 7.03 2qp3A1 TRP 72 HE1 0.10 0.04 -0.08 -0.04 10.20 10.21 2qp3A1 TRP 72 HE3 0.21 -0.04 0.02 -0.04 7.59 7.74 2qp3A1 TRP 72 HZ2 0.09 0.04 -0.02 -0.04 7.44 7.51 2qp3A1 TRP 72 HZ3 0.11 0.03 0.02 -0.04 7.13 7.25 2qp3A1 TRP 72 HH2 0.09 0.05 -0.01 -0.04 7.19 7.28 2qp3A1 GLU 73 H -0.21 0.42 -0.97 -0.55 8.60 7.29 2qp3A1 GLU 73 HA 0.13 0.13 0.83 -0.75 4.29 4.62 2qp3A1 GLU 73 HB2 -0.12 0.22 -0.00 -0.04 2.09 2.14 2qp3A1 GLU 73 HB3 0.03 -0.02 -0.01 -0.04 1.99 1.95 2qp3A1 GLU 73 HG2 0.15 -0.12 -0.39 -0.04 2.34 1.94 2qp3A1 GLU 73 HG3 -0.20 -0.01 -0.07 -0.04 2.34 2.02 2qp3A1 ARG 74 H -0.09 0.31 0.07 -0.55 8.46 8.20 2qp3A1 ARG 74 HA -0.03 0.07 0.51 -0.75 4.34 4.13 2qp3A1 ARG 74 HB2 -0.07 -0.01 0.05 -0.04 1.90 1.83 2qp3A1 ARG 74 HB3 -0.05 -0.02 -0.08 -0.04 1.80 1.61 2qp3A1 ARG 74 HG2 -0.03 -0.00 -0.21 -0.04 1.67 1.39 2qp3A1 ARG 74 HG3 -0.02 0.05 -0.11 -0.04 1.67 1.55 2qp3A1 ARG 74 HD2 0.01 -0.04 -0.05 -0.04 3.22 3.10 2qp3A1 ARG 74 HD3 -0.02 0.06 0.03 -0.04 3.22 3.24 2qp3A1 SER 75 H -0.11 0.32 -0.20 -0.55 8.46 7.92 2qp3A1 SER 75 HA -0.10 0.50 0.57 -0.75 4.49 4.71 2qp3A1 SER 75 HB2 -0.16 0.06 -0.27 -0.04 3.95 3.54 2qp3A1 SER 75 HB3 -0.31 -0.14 -0.00 -0.04 3.93 3.44 2qp3A1 PRO 76 HA 0.15 -0.05 0.43 -0.51 4.44 4.46 2qp3A1 PRO 76 HB2 0.14 -0.09 -0.04 -0.04 2.28 2.24 2qp3A1 PRO 76 HB3 0.18 0.30 0.12 -0.04 2.02 2.58 2qp3A1 PRO 76 HG2 0.05 -0.06 -0.02 -0.04 2.03 1.97 2qp3A1 PRO 76 HG3 0.06 0.07 -0.02 -0.04 2.03 2.09 2qp3A1 PRO 76 HD2 0.01 0.41 0.07 -0.04 3.68 4.13 2qp3A1 PRO 76 HD3 0.02 0.27 -0.34 -0.04 3.65 3.56 2qp3A1 TRP 77 H 0.64 0.09 0.16 -0.55 7.97 8.31 2qp3A1 TRP 77 HA 0.10 0.33 0.66 -0.75 4.62 4.96 2qp3A1 TRP 77 HB2 0.10 -0.04 0.20 -0.04 3.23 3.45 2qp3A1 TRP 77 HB3 0.15 -0.10 0.03 -0.04 3.23 3.27 2qp3A1 TRP 77 HD1 -0.14 -0.12 -0.11 -0.04 7.22 6.81 2qp3A1 TRP 77 HE1 -0.62 -0.02 -0.11 -0.04 10.20 9.40 2qp3A1 TRP 77 HE3 0.20 -0.04 0.10 -0.04 7.59 7.80 2qp3A1 TRP 77 HZ2 0.13 -0.09 -0.08 -0.04 7.44 7.35 2qp3A1 TRP 77 HZ3 0.39 -0.10 -0.06 -0.04 7.13 7.32 2qp3A1 TRP 77 HH2 0.19 -0.04 -0.10 -0.04 7.19 7.20 2qp3A1 VAL 78 H 0.15 0.55 0.26 -0.55 8.24 8.65 2qp3A1 VAL 78 HA -0.14 0.07 0.16 -0.75 4.13 3.46 2qp3A1 VAL 78 HB -0.53 0.09 0.05 -0.04 2.12 1.68 2qp3A1 VAL 78 HG13 0.04 0.03 -0.02 -0.04 0.97 0.98 2qp3A1 VAL 78 HG23 -1.10 0.01 -0.05 -0.04 0.95 -0.23 2qp3A1 GLU 79 H 0.26 0.02 -0.28 -0.55 8.60 8.05 2qp3A1 GLU 79 HA 0.09 0.18 0.52 -0.75 4.29 4.33 2qp3A1 GLU 79 HB2 0.29 0.01 0.09 -0.04 2.09 2.44 2qp3A1 GLU 79 HB3 0.31 0.04 0.05 -0.04 1.99 2.35 2qp3A1 GLU 79 HG2 0.56 0.01 -0.16 -0.04 2.34 2.72 2qp3A1 GLU 79 HG3 0.81 0.03 -0.07 -0.04 2.34 3.07 2qp3A1 SER 80 H 0.11 0.39 -0.30 -0.55 8.46 8.11 2qp3A1 SER 80 HA -0.68 0.21 0.81 -0.75 4.49 4.07 2qp3A1 SER 80 HB2 -0.47 0.04 0.18 -0.04 3.95 3.66 2qp3A1 SER 80 HB3 -0.35 -0.01 0.08 -0.04 3.93 3.62 2qp3A1 GLU 81 H -0.32 0.61 0.31 -0.55 8.60 8.66 2qp3A1 GLU 81 HA -0.06 0.08 0.39 -0.75 4.29 3.94 2qp3A1 GLU 81 HB2 -0.11 -0.07 0.18 -0.04 2.09 2.04 2qp3A1 GLU 81 HB3 -0.05 0.03 -0.01 -0.04 1.99 1.92 2qp3A1 GLU 81 HG2 -0.15 0.15 -0.23 -0.04 2.34 2.07 2qp3A1 GLU 81 HG3 -0.07 0.01 -0.13 -0.04 2.34 2.10 2qp3A1 ILE 82 H -0.09 0.13 0.05 -0.55 8.25 7.79 2qp3A1 ILE 82 HA 0.03 0.07 0.34 -0.75 4.18 3.86 2qp3A1 ILE 82 HB -0.03 -0.05 0.08 -0.04 1.89 1.85 2qp3A1 ILE 82 HG12 -0.01 0.05 0.05 -0.04 1.49 1.53 2qp3A1 ILE 82 HG13 -0.07 -0.09 0.11 -0.04 1.21 1.12 2qp3A1 ILE 82 HG23 0.10 0.03 -0.09 -0.04 0.93 0.93 2qp3A1 ILE 82 HD13 -0.15 0.01 0.03 -0.04 0.88 0.73 2qp3A1 GLY 83 H 0.03 -0.08 -0.62 -0.55 8.43 7.21 2qp3A1 GLY 83 HA2 0.12 0.03 0.30 -0.51 4.01 3.95 2qp3A1 GLY 83 HA3 0.12 0.37 0.20 -0.51 4.01 4.19 2qp3A1 TYR 84 H 0.12 0.88 0.07 -0.55 8.29 8.81 2qp3A1 TYR 84 HA -0.07 0.00 0.36 -0.75 4.56 4.11 2qp3A1 TYR 84 HB2 -0.06 0.16 0.10 -0.04 3.06 3.22 2qp3A1 TYR 84 HB3 -0.03 -0.05 0.10 -0.04 2.98 2.96 2qp3A1 TYR 84 HD2 -0.03 0.09 -0.13 -0.04 7.15 7.03 2qp3A1 TYR 84 HE2 0.09 -0.02 -0.12 -0.04 6.85 6.75 2qp3A1 THR 85 H 0.15 0.49 -0.33 -0.55 8.28 8.04 2qp3A1 THR 85 HA 0.13 -0.00 0.35 -0.75 4.39 4.11 2qp3A1 THR 85 HB 0.07 0.10 0.08 -0.04 4.32 4.52 2qp3A1 THR 85 HG23 0.05 -0.01 -0.15 -0.04 1.22 1.07 2qp3A1 ALA 86 H 0.06 0.47 -0.02 -0.55 8.40 8.36 2qp3A1 ALA 86 HA 0.03 -0.01 0.37 -0.75 4.34 3.98 2qp3A1 ALA 86 HB3 0.06 0.01 0.12 -0.04 1.41 1.56 2qp3A1 LEU 87 H -0.02 0.56 -0.13 -0.55 8.37 8.23 2qp3A1 LEU 87 HA -0.03 0.02 0.37 -0.75 4.35 3.95 2qp3A1 LEU 87 HB2 -0.11 0.10 0.03 -0.04 1.64 1.62 2qp3A1 LEU 87 HB3 0.05 -0.02 -0.06 -0.04 1.64 1.57 2qp3A1 LEU 87 HG -0.59 -0.05 -0.09 -0.04 1.64 0.87 2qp3A1 LEU 87 HD13 -0.01 -0.00 -0.11 -0.04 0.93 0.77 2qp3A1 LEU 87 HD23 -0.14 0.04 -0.25 -0.04 0.89 0.50 2qp3A1 SER 88 H -0.08 0.45 -0.31 -0.55 8.46 7.97 2qp3A1 SER 88 HA -0.18 -0.00 0.41 -0.75 4.49 3.97 2qp3A1 SER 88 HB2 -0.03 0.16 0.17 -0.04 3.95 4.21 2qp3A1 SER 88 HB3 -0.06 -0.11 0.08 -0.04 3.93 3.80 2qp3A1 GLU 89 H -0.03 0.41 -0.46 -0.55 8.60 7.98 2qp3A1 GLU 89 HA -0.03 0.16 0.91 -0.75 4.29 4.57 2qp3A1 GLU 89 HB2 -0.00 -0.09 0.16 -0.04 2.09 2.12 2qp3A1 GLU 89 HB3 -0.00 -0.05 -0.08 -0.04 1.99 1.82 2qp3A1 GLU 89 HG2 0.01 0.25 0.07 -0.04 2.34 2.63 2qp3A1 GLU 89 HG3 0.01 -0.01 -0.08 -0.04 2.34 2.21 2qp3A1 THR 90 H -0.04 0.35 -0.09 -0.55 8.28 7.96 2qp3A1 THR 90 HA -0.01 0.06 0.75 -0.75 4.39 4.44 2qp3A1 THR 90 HB -0.01 0.01 0.05 -0.04 4.32 4.32 2qp3A1 THR 90 HG23 -0.01 0.00 -0.14 -0.04 1.22 1.03 2qp3A1 GLU 91 H -0.02 0.13 0.12 -0.55 8.60 8.29 2qp3A1 GLU 91 HA -0.02 0.06 0.68 -0.75 4.29 4.25 2qp3A1 GLU 91 HB2 -0.02 0.03 0.09 -0.04 2.09 2.15 2qp3A1 GLU 91 HB3 -0.02 0.00 0.05 -0.04 1.99 1.98 2qp3A1 GLU 91 HG2 -0.01 -0.03 -0.01 -0.04 2.34 2.25 2qp3A1 GLU 91 HG3 -0.02 0.03 -0.08 -0.04 2.34 2.23 2qp3A1 SER 92 H -0.02 0.07 0.10 -0.55 8.46 8.06 2qp3A1 SER 92 HA 0.00 -0.06 0.12 -0.75 4.49 3.79 2qp3A1 SER 92 HB2 -0.00 -0.00 0.10 -0.04 3.95 4.00 2qp3A1 SER 92 HB3 -0.01 0.00 0.03 -0.04 3.93 3.91 2qp3A1 PRO 93 HA 0.01 -0.10 0.31 -0.51 4.44 4.14 2qp3A1 PRO 93 HB2 -0.03 0.10 -0.04 -0.04 2.28 2.27 2qp3A1 PRO 93 HB3 -0.01 0.02 0.09 -0.04 2.02 2.08 2qp3A1 PRO 93 HG2 -0.06 0.03 0.13 -0.04 2.03 2.08 2qp3A1 PRO 93 HG3 0.00 0.01 0.09 -0.04 2.03 2.10 2qp3A1 PRO 93 HD2 -0.01 0.13 0.28 -0.04 3.68 4.03 2qp3A1 PRO 93 HD3 -0.00 0.02 0.25 -0.04 3.65 3.88 2qp3A1 ARG 94 H 0.05 0.09 0.07 -0.55 8.46 8.12 2qp3A1 ARG 94 HA 0.02 0.28 0.99 -0.75 4.34 4.86 2qp3A1 ARG 94 HB2 0.18 -0.11 0.06 -0.04 1.90 1.99 2qp3A1 ARG 94 HB3 0.20 0.05 -0.11 -0.04 1.80 1.90 2qp3A1 ARG 94 HG2 0.02 0.08 -0.26 -0.04 1.67 1.47 2qp3A1 ARG 94 HG3 0.02 -0.12 -0.51 -0.04 1.67 1.02 2qp3A1 ARG 94 HD2 0.00 -0.02 -0.03 -0.04 3.22 3.13 2qp3A1 ARG 94 HD3 -0.02 0.23 -0.12 -0.04 3.22 3.27 2qp3A1 LEU 95 H 0.02 0.28 0.16 -0.55 8.37 8.27 2qp3A1 LEU 95 HA -0.09 0.34 1.05 -0.75 4.35 4.90 2qp3A1 LEU 95 HB2 -0.10 -0.02 0.01 -0.04 1.64 1.49 2qp3A1 LEU 95 HB3 -0.09 0.08 0.22 -0.04 1.64 1.81 2qp3A1 LEU 95 HG -0.12 -0.06 -0.26 -0.04 1.64 1.16 2qp3A1 LEU 95 HD13 -0.16 0.03 -0.06 -0.04 0.93 0.70 2qp3A1 LEU 95 HD23 -0.10 0.01 -0.08 -0.04 0.89 0.68 2qp3A1 PHE 96 H -0.41 0.54 0.33 -0.55 8.34 8.24 2qp3A1 PHE 96 HA -0.18 0.10 0.66 -0.75 4.62 4.45 2qp3A1 PHE 96 HB2 -0.13 0.16 0.16 -0.04 3.15 3.31 2qp3A1 PHE 96 HB3 -0.07 0.01 -0.13 -0.04 3.06 2.84 2qp3A1 PHE 96 HD2 -0.05 0.00 -0.26 -0.04 7.28 6.93 2qp3A1 PHE 96 HE2 0.01 -0.04 -0.13 -0.04 7.38 7.18 2qp3A1 PHE 96 HZ 0.10 -0.01 -0.15 -0.04 7.32 7.21 2qp3A1 SER 97 H -0.23 0.56 -0.01 -0.55 8.46 8.23 2qp3A1 SER 97 HA -0.34 0.24 1.02 -0.75 4.49 4.65 2qp3A1 SER 97 HB2 -1.58 -0.05 -0.10 -0.04 3.95 2.18 2qp3A1 SER 97 HB3 -0.72 -0.11 0.05 -0.04 3.93 3.11 2qp3A1 SER 98 H -0.22 0.49 0.26 -0.55 8.46 8.44 2qp3A1 SER 98 HA 0.26 -0.13 0.51 -0.75 4.49 4.38 2qp3A1 SER 98 HB2 0.34 0.14 -0.03 -0.04 3.95 4.36 2qp3A1 SER 98 HB3 0.23 0.11 -0.08 -0.04 3.93 4.15 2qp3A1 HIS 99 H 0.34 0.07 0.15 -0.55 8.41 8.42 2qp3A1 HIS 99 HA 0.10 0.54 0.96 -0.75 4.63 5.47 2qp3A1 HIS 99 HB2 -0.46 -0.05 0.06 -0.04 3.26 2.76 2qp3A1 HIS 99 HB3 -0.55 0.06 0.23 -0.04 3.20 2.89 2qp3A1 HIS 99 HD2 -0.22 0.02 -0.02 -0.04 6.97 6.70 2qp3A1 HIS 99 HE1 0.18 -0.17 -0.14 -0.04 7.75 7.57 2qp3A1 LEU 100 H 0.45 -0.10 -0.15 -0.55 8.37 8.03 2qp3A1 LEU 100 HA 0.51 0.09 0.39 -0.75 4.35 4.59 2qp3A1 LEU 100 HB2 0.62 -0.03 -0.05 -0.04 1.64 2.15 2qp3A1 LEU 100 HB3 0.50 0.16 -0.20 -0.04 1.64 2.05 2qp3A1 LEU 100 HG 0.51 -0.22 0.02 -0.04 1.64 1.91 2qp3A1 LEU 100 HD13 0.34 0.05 -0.13 -0.04 0.93 1.15 2qp3A1 LEU 100 HD23 0.50 0.02 -0.04 -0.04 0.89 1.32 2qp3A1 PRO 101 HA -0.11 0.13 0.45 -0.51 4.44 4.40 2qp3A1 PRO 101 HB2 -0.03 -0.08 0.01 -0.04 2.28 2.15 2qp3A1 PRO 101 HB3 0.06 0.09 0.10 -0.04 2.02 2.24 2qp3A1 PRO 101 HG2 0.14 -0.07 -0.03 -0.04 2.03 2.03 2qp3A1 PRO 101 HG3 0.12 0.09 0.02 -0.04 2.03 2.22 2qp3A1 PRO 101 HD2 0.35 0.01 0.17 -0.04 3.68 4.17 2qp3A1 PRO 101 HD3 0.31 0.28 0.20 -0.04 3.65 4.41 2qp3A1 ILE 102 H -0.68 0.16 0.06 -0.55 8.25 7.23 2qp3A1 ILE 102 HA -0.72 0.11 0.24 -0.75 4.18 3.05 2qp3A1 ILE 102 HB -1.73 0.01 -0.13 -0.04 1.89 -0.00 2qp3A1 ILE 102 HG12 -0.32 -0.02 -0.10 -0.04 1.49 1.01 2qp3A1 ILE 102 HG13 -1.13 -0.02 0.00 -0.04 1.21 0.03 2qp3A1 ILE 102 HG23 -0.36 0.03 -0.09 -0.04 0.93 0.48 2qp3A1 ILE 102 HD13 -0.31 0.02 0.01 -0.04 0.88 0.56 2qp3A1 GLN 103 H -0.13 0.04 -0.29 -0.55 8.47 7.54 2qp3A1 GLN 103 HA -0.09 0.17 0.40 -0.75 4.36 4.09 2qp3A1 GLN 103 HB2 -0.06 0.01 0.11 -0.04 2.15 2.17 2qp3A1 GLN 103 HB3 -0.10 -0.03 0.04 -0.04 2.02 1.90 2qp3A1 GLN 103 HG2 0.01 0.08 -0.36 -0.04 2.40 2.09 2qp3A1 GLN 103 HG3 -0.04 -0.01 -0.06 -0.04 2.39 2.24 2qp3A1 GLN 103 HE21 -0.00 -0.04 -0.04 -0.04 6.97 6.85 2qp3A1 GLN 103 HE22 -0.02 0.09 -0.05 -0.04 7.69 7.67 2qp3A1 LEU 104 H 0.16 0.38 -0.49 -0.55 8.37 7.87 2qp3A1 LEU 104 HA 0.18 0.20 0.89 -0.75 4.35 4.86 2qp3A1 LEU 104 HB2 0.32 0.01 -0.08 -0.04 1.64 1.84 2qp3A1 LEU 104 HB3 0.31 -0.05 0.07 -0.04 1.64 1.93 2qp3A1 LEU 104 HG 0.15 -0.08 -0.20 -0.04 1.64 1.47 2qp3A1 LEU 104 HD13 0.37 -0.01 -0.06 -0.04 0.93 1.20 2qp3A1 LEU 104 HD23 0.06 0.06 -0.20 -0.04 0.89 0.77 2qp3A1 PHE 105 H 0.40 0.22 -0.21 -0.55 8.34 8.19 2qp3A1 PHE 105 HA 0.28 -0.02 0.32 -0.75 4.62 4.45 2qp3A1 PHE 105 HB2 0.38 0.01 -0.05 -0.04 3.15 3.45 2qp3A1 PHE 105 HB3 0.49 0.09 -0.07 -0.04 3.06 3.53 2qp3A1 PHE 105 HD2 0.18 -0.02 -0.12 -0.04 7.28 7.28 2qp3A1 PHE 105 HE2 -0.41 -0.05 -0.13 -0.04 7.38 6.75 2qp3A1 PHE 105 HZ -0.14 -0.02 -0.16 -0.04 7.32 6.96 2qp3A1 PRO 106 HA 0.14 0.21 0.50 -0.51 4.44 4.78 2qp3A1 PRO 106 HB2 -0.03 -0.16 -0.01 -0.04 2.28 2.04 2qp3A1 PRO 106 HB3 0.17 0.19 0.02 -0.04 2.02 2.36 2qp3A1 PRO 106 HG2 -0.39 -0.04 -0.04 -0.04 2.03 1.52 2qp3A1 PRO 106 HG3 -0.14 0.17 0.00 -0.04 2.03 2.02 2qp3A1 PRO 106 HD2 -2.36 0.05 0.07 -0.04 3.68 1.40 2qp3A1 PRO 106 HD3 -0.44 0.05 0.07 -0.04 3.65 3.30 2qp3A1 LYS 107 H 0.20 0.58 0.27 -0.55 8.42 8.91 2qp3A1 LYS 107 HA 0.42 0.07 0.44 -0.75 4.32 4.49 2qp3A1 LYS 107 HB2 0.14 0.06 0.19 -0.04 1.87 2.22 2qp3A1 LYS 107 HB3 0.15 -0.09 0.01 -0.04 1.79 1.82 2qp3A1 LYS 107 HG2 0.09 -0.08 0.06 -0.04 1.46 1.50 2qp3A1 LYS 107 HG3 0.14 0.25 0.15 -0.04 1.46 1.96 2qp3A1 LYS 107 HD2 0.08 0.06 0.11 -0.04 1.69 1.90 2qp3A1 LYS 107 HD3 0.06 -0.09 0.03 -0.04 1.68 1.64 2qp3A1 LYS 107 HE2 0.03 -0.04 -0.00 -0.04 2.99 2.93 2qp3A1 LYS 107 HE3 0.06 0.05 -0.07 -0.04 2.99 2.99 2qp3A1 SER 108 H 0.18 0.25 -0.14 -0.55 8.46 8.20 2qp3A1 SER 108 HA 0.12 0.03 0.28 -0.75 4.49 4.16 2qp3A1 SER 108 HB2 0.07 -0.03 0.12 -0.04 3.95 4.06 2qp3A1 SER 108 HB3 0.08 0.10 0.11 -0.04 3.93 4.18 2qp3A1 PHE 109 H 0.29 0.33 -0.72 -0.55 8.34 7.69 2qp3A1 PHE 109 HA 0.06 -0.04 0.29 -0.75 4.62 4.18 2qp3A1 PHE 109 HB2 0.07 -0.09 -0.04 -0.04 3.15 3.05 2qp3A1 PHE 109 HB3 -0.18 0.27 -0.01 -0.04 3.06 3.11 2qp3A1 PHE 109 HD2 -0.67 -0.03 -0.16 -0.04 7.28 6.37 2qp3A1 PHE 109 HE2 0.09 0.14 -0.16 -0.04 7.38 7.41 2qp3A1 PHE 109 HZ 0.20 0.03 -0.12 -0.04 7.32 7.39 2qp3A1 PHE 110 H 0.22 0.42 -0.11 -0.55 8.34 8.32 2qp3A1 PHE 110 HA -0.33 0.10 0.40 -0.75 4.62 4.03 2qp3A1 PHE 110 HB2 0.06 0.08 0.07 -0.04 3.15 3.31 2qp3A1 PHE 110 HB3 0.02 -0.05 0.13 -0.04 3.06 3.11 2qp3A1 PHE 110 HD2 0.18 0.07 0.07 -0.04 7.28 7.56 2qp3A1 PHE 110 HE2 0.25 0.06 -0.18 -0.04 7.38 7.46 2qp3A1 PHE 110 HZ 0.14 0.02 -0.04 -0.04 7.32 7.41 2qp3A1 SER 111 H -0.00 0.28 -0.56 -0.55 8.46 7.63 2qp3A1 SER 111 HA 0.00 0.17 0.89 -0.75 4.49 4.79 2qp3A1 SER 111 HB2 0.02 -0.07 0.13 -0.04 3.95 3.99 2qp3A1 SER 111 HB3 0.05 -0.03 -0.02 -0.04 3.93 3.88 2qp3A1 SER 112 H -0.18 0.44 -0.09 -0.55 8.46 8.08 2qp3A1 SER 112 HA -0.02 0.12 0.82 -0.75 4.49 4.65 2qp3A1 SER 112 HB2 0.03 -0.25 0.07 -0.04 3.95 3.76 2qp3A1 SER 112 HB3 0.01 0.17 0.04 -0.04 3.93 4.10 2qp3A1 LYS 113 H 0.01 0.01 0.16 -0.55 8.42 8.04 2qp3A1 LYS 113 HA -0.01 0.22 0.80 -0.75 4.32 4.58 2qp3A1 LYS 113 HB2 0.00 -0.09 0.11 -0.04 1.87 1.85 2qp3A1 LYS 113 HB3 -0.00 0.06 0.18 -0.04 1.79 1.99 2qp3A1 LYS 113 HG2 -0.01 0.06 -0.04 -0.04 1.46 1.44 2qp3A1 LYS 113 HG3 -0.01 -0.04 -0.11 -0.04 1.46 1.26 2qp3A1 LYS 113 HD2 -0.01 -0.03 -0.00 -0.04 1.69 1.61 2qp3A1 LYS 113 HD3 -0.01 -0.04 0.02 -0.04 1.68 1.61 2qp3A1 LYS 113 HE2 -0.01 0.07 0.04 -0.04 2.99 3.05 2qp3A1 LYS 113 HE3 -0.01 -0.00 0.01 -0.04 2.99 2.96 2qp3A1 ALA 114 H 0.08 -0.08 -0.10 -0.55 8.40 7.75 2qp3A1 ALA 114 HA 0.10 0.18 0.38 -0.75 4.34 4.25 2qp3A1 ALA 114 HB3 0.31 -0.00 -0.09 -0.04 1.41 1.58 2qp3A1 LYS 115 H 0.06 0.35 0.26 -0.55 8.42 8.54 2qp3A1 LYS 115 HA 0.20 0.24 0.81 -0.75 4.32 4.82 2qp3A1 LYS 115 HB2 -0.02 -0.03 0.16 -0.04 1.87 1.94 2qp3A1 LYS 115 HB3 0.04 -0.05 -0.05 -0.04 1.79 1.69 2qp3A1 LYS 115 HG2 -0.24 -0.01 0.05 -0.04 1.46 1.23 2qp3A1 LYS 115 HG3 -0.09 0.10 0.10 -0.04 1.46 1.52 2qp3A1 LYS 115 HD2 -0.27 -0.08 0.03 -0.04 1.69 1.33 2qp3A1 LYS 115 HD3 -0.89 0.12 -0.00 -0.04 1.68 0.87 2qp3A1 LYS 115 HE2 -0.14 -0.02 0.06 -0.04 2.99 2.85 2qp3A1 LYS 115 HE3 -0.21 0.04 0.06 -0.04 2.99 2.84 2qp3A1 VAL 116 H 0.30 0.68 0.30 -0.55 8.24 8.97 2qp3A1 VAL 116 HA -0.15 0.13 1.08 -0.75 4.13 4.43 2qp3A1 VAL 116 HB 0.07 0.16 0.11 -0.04 2.12 2.41 2qp3A1 VAL 116 HG13 -0.59 -0.04 -0.27 -0.04 0.97 0.02 2qp3A1 VAL 116 HG23 -0.38 -0.01 -0.23 -0.04 0.95 0.30 2qp3A1 ILE 117 H -0.30 0.69 0.33 -0.55 8.25 8.42 2qp3A1 ILE 117 HA -0.53 0.25 1.09 -0.75 4.18 4.23 2qp3A1 ILE 117 HB -0.24 -0.07 0.14 -0.04 1.89 1.68 2qp3A1 ILE 117 HG12 -0.33 0.05 -0.15 -0.04 1.49 1.02 2qp3A1 ILE 117 HG13 -0.07 0.02 -0.25 -0.04 1.21 0.87 2qp3A1 ILE 117 HG23 -0.26 -0.02 -0.21 -0.04 0.93 0.40 2qp3A1 ILE 117 HD13 -0.06 -0.01 -0.12 -0.04 0.88 0.65 2qp3A1 TYR 118 H -0.50 0.80 0.32 -0.55 8.29 8.35 2qp3A1 TYR 118 HA -0.39 0.30 1.11 -0.75 4.56 4.83 2qp3A1 TYR 118 HB2 -0.77 0.01 -0.09 -0.04 3.06 2.17 2qp3A1 TYR 118 HB3 -0.37 -0.03 0.10 -0.04 2.98 2.63 2qp3A1 TYR 118 HD2 -0.43 -0.04 -0.35 -0.04 7.15 6.28 2qp3A1 TYR 118 HE2 -0.05 -0.05 -0.21 -0.04 6.85 6.50 2qp3A1 LEU 119 H -0.47 0.61 0.30 -0.55 8.37 8.26 2qp3A1 LEU 119 HA 0.03 0.28 0.94 -0.75 4.35 4.84 2qp3A1 LEU 119 HB2 -0.11 0.01 -0.15 -0.04 1.64 1.35 2qp3A1 LEU 119 HB3 -0.11 -0.06 -0.02 -0.04 1.64 1.41 2qp3A1 LEU 119 HG 0.12 0.02 -0.33 -0.04 1.64 1.42 2qp3A1 LEU 119 HD13 -0.01 0.00 -0.40 -0.04 0.93 0.49 2qp3A1 LEU 119 HD23 0.08 -0.06 -0.30 -0.04 0.89 0.58 2qp3A1 MET 120 H 0.26 0.64 0.47 -0.55 8.47 9.28 2qp3A1 MET 120 HA 0.32 0.16 1.00 -0.75 4.52 5.25 2qp3A1 MET 120 HB2 0.69 -0.02 0.09 -0.04 2.15 2.87 2qp3A1 MET 120 HB3 0.64 0.09 -0.07 -0.04 2.03 2.65 2qp3A1 MET 120 HG2 0.40 0.21 0.06 -0.04 2.63 3.27 2qp3A1 MET 120 HG3 0.62 -0.23 -0.03 -0.04 2.56 2.87 2qp3A1 MET 120 HE3 0.12 -0.01 -0.00 -0.04 2.10 2.17 2qp3A1 ARG 121 H 0.40 0.32 0.21 -0.55 8.46 8.84 2qp3A1 ARG 121 HA 0.16 -0.05 0.94 -0.75 4.34 4.64 2qp3A1 ARG 121 HB2 0.06 0.15 -0.10 -0.04 1.90 1.97 2qp3A1 ARG 121 HB3 -0.06 0.06 -0.02 -0.04 1.80 1.74 2qp3A1 ARG 121 HG2 -0.29 -0.08 0.09 -0.04 1.67 1.36 2qp3A1 ARG 121 HG3 -0.18 -0.07 0.11 -0.04 1.67 1.48 2qp3A1 ARG 121 HD2 -0.39 0.03 -0.06 -0.04 3.22 2.76 2qp3A1 ARG 121 HD3 -0.26 0.06 -0.07 -0.04 3.22 2.91 2qp3A1 ASN 122 H -0.48 0.07 0.18 -0.55 8.53 7.76 2qp3A1 ASN 122 HA -3.11 0.21 0.47 -0.75 4.76 1.58 2qp3A1 ASN 122 HB2 -0.57 0.05 0.21 -0.04 2.88 2.52 2qp3A1 ASN 122 HB3 -0.60 -0.13 0.21 -0.04 2.79 2.22 2qp3A1 ASN 122 HD21 -0.40 0.12 0.01 -0.04 7.03 6.73 2qp3A1 ASN 122 HD22 -0.11 -0.01 0.07 -0.04 7.74 7.65 2qp3A1 PRO 123 HA -0.99 0.10 0.43 -0.51 4.44 3.46 2qp3A1 PRO 123 HB2 -0.64 0.03 0.02 -0.04 2.28 1.65 2qp3A1 PRO 123 HB3 -2.95 0.09 0.13 -0.04 2.02 -0.75 2qp3A1 PRO 123 HG2 -0.37 -0.02 0.05 -0.04 2.03 1.65 2qp3A1 PRO 123 HG3 -0.51 0.13 0.07 -0.04 2.03 1.68 2qp3A1 PRO 123 HD2 -1.47 0.05 0.25 -0.04 3.68 2.47 2qp3A1 PRO 123 HD3 -1.11 0.27 0.25 -0.04 3.65 3.03 2qp3A1 ARG 124 H -1.01 0.10 -0.39 -0.55 8.46 6.61 2qp3A1 ARG 124 HA -0.83 0.13 0.42 -0.75 4.34 3.31 2qp3A1 ARG 124 HB2 -1.74 -0.05 0.03 -0.04 1.90 0.10 2qp3A1 ARG 124 HB3 -2.00 -0.01 -0.01 -0.04 1.80 -0.26 2qp3A1 ARG 124 HG2 -1.66 0.04 -0.02 -0.04 1.67 -0.00 2qp3A1 ARG 124 HG3 -1.21 -0.01 -0.01 -0.04 1.67 0.40 2qp3A1 ARG 124 HD2 -1.66 -0.02 -0.01 -0.04 3.22 1.50 2qp3A1 ARG 124 HD3 -3.62 -0.03 -0.03 -0.04 3.22 -0.50 2qp3A1 ASP 125 H -0.58 0.22 -0.13 -0.55 8.40 7.36 2qp3A1 ASP 125 HA -0.05 0.01 0.49 -0.75 4.63 4.33 2qp3A1 ASP 125 HB2 -0.29 0.11 0.10 -0.04 2.71 2.60 2qp3A1 ASP 125 HB3 -0.15 0.06 0.01 -0.04 2.70 2.59 2qp3A1 VAL 126 H -0.37 0.33 -0.23 -0.55 8.24 7.42 2qp3A1 VAL 126 HA -0.03 0.20 0.40 -0.75 4.13 3.94 2qp3A1 VAL 126 HB -0.28 0.02 0.11 -0.04 2.12 1.93 2qp3A1 VAL 126 HG13 0.44 0.03 -0.18 -0.04 0.97 1.22 2qp3A1 VAL 126 HG23 -0.02 0.04 -0.14 -0.04 0.95 0.78 2qp3A1 LEU 127 H -0.51 0.56 -0.16 -0.55 8.37 7.71 2qp3A1 LEU 127 HA -0.17 0.05 0.35 -0.75 4.35 3.82 2qp3A1 LEU 127 HB2 -1.64 0.09 0.12 -0.04 1.64 0.18 2qp3A1 LEU 127 HB3 -0.30 0.05 0.12 -0.04 1.64 1.47 2qp3A1 LEU 127 HG -0.44 -0.00 0.00 -0.04 1.64 1.16 2qp3A1 LEU 127 HD13 -0.69 -0.00 -0.00 -0.04 0.93 0.19 2qp3A1 LEU 127 HD23 0.06 -0.03 -0.26 -0.04 0.89 0.62 2qp3A1 VAL 128 H 0.07 0.33 -0.29 -0.55 8.24 7.81 2qp3A1 VAL 128 HA 0.39 0.02 0.44 -0.75 4.13 4.23 2qp3A1 VAL 128 HB 0.15 0.05 0.12 -0.04 2.12 2.40 2qp3A1 VAL 128 HG13 0.12 0.00 -0.22 -0.04 0.97 0.83 2qp3A1 VAL 128 HG23 0.40 0.02 0.04 -0.04 0.95 1.37 2qp3A1 SER 129 H 0.10 0.61 -0.03 -0.55 8.46 8.60 2qp3A1 SER 129 HA 0.17 0.01 0.36 -0.75 4.49 4.27 2qp3A1 SER 129 HB2 0.03 0.14 0.12 -0.04 3.95 4.20 2qp3A1 SER 129 HB3 -0.00 -0.07 0.02 -0.04 3.93 3.84 2qp3A1 GLY 130 H 0.22 0.64 -0.23 -0.55 8.43 8.51 2qp3A1 GLY 130 HA2 0.14 -0.03 0.44 -0.51 4.01 4.04 2qp3A1 GLY 130 HA3 0.55 0.09 0.26 -0.51 4.01 4.40 2qp3A1 TYR 131 H 0.22 0.51 -0.19 -0.55 8.29 8.28 2qp3A1 TYR 131 HA -1.00 -0.03 0.35 -0.75 4.56 3.12 2qp3A1 TYR 131 HB2 -0.14 0.01 0.14 -0.04 3.06 3.03 2qp3A1 TYR 131 HB3 -0.23 0.20 0.25 -0.04 2.98 3.16 2qp3A1 TYR 131 HD2 -1.35 0.02 -0.01 -0.04 7.15 5.77 2qp3A1 TYR 131 HE2 -0.34 -0.01 -0.13 -0.04 6.85 6.33 2qp3A1 PHE 132 H 0.06 0.48 -0.07 -0.55 8.34 8.26 2qp3A1 PHE 132 HA -0.31 0.02 0.40 -0.75 4.62 3.98 2qp3A1 PHE 132 HB2 -0.02 0.03 0.07 -0.04 3.15 3.19 2qp3A1 PHE 132 HB3 -0.06 0.02 0.04 -0.04 3.06 3.03 2qp3A1 PHE 132 HD2 -0.06 0.06 -0.02 -0.04 7.28 7.22 2qp3A1 PHE 132 HE2 -0.38 -0.05 -0.03 -0.04 7.38 6.88 2qp3A1 PHE 132 HZ -0.11 -0.02 -0.01 -0.04 7.32 7.15 2qp3A1 PHE 133 H 0.12 0.53 -0.21 -0.55 8.34 8.23 2qp3A1 PHE 133 HA -0.15 0.13 0.42 -0.75 4.62 4.27 2qp3A1 PHE 133 HB2 -0.24 -0.02 0.10 -0.04 3.15 2.96 2qp3A1 PHE 133 HB3 -0.57 -0.02 0.21 -0.04 3.06 2.64 2qp3A1 PHE 133 HD2 -1.30 0.02 -0.06 -0.04 7.28 5.90 2qp3A1 PHE 133 HE2 -0.80 -0.02 -0.06 -0.04 7.38 6.45 2qp3A1 PHE 133 HZ -0.25 -0.04 -0.05 -0.04 7.32 6.94 2qp3A1 TRP 134 H -0.10 0.54 0.09 -0.55 7.97 7.96 2qp3A1 TRP 134 HA -0.12 -0.00 0.34 -0.75 4.62 4.08 2qp3A1 TRP 134 HB2 0.04 0.12 0.11 -0.04 3.23 3.46 2qp3A1 TRP 134 HB3 0.10 0.00 0.02 -0.04 3.23 3.32 2qp3A1 TRP 134 HD1 0.30 -0.04 -0.00 -0.04 7.22 7.45 2qp3A1 TRP 134 HE1 0.17 0.00 -0.04 -0.04 10.20 10.29 2qp3A1 TRP 134 HE3 0.04 0.07 0.03 -0.04 7.59 7.69 2qp3A1 TRP 134 HZ2 0.04 -0.04 -0.04 -0.04 7.44 7.35 2qp3A1 TRP 134 HZ3 0.14 -0.00 -0.02 -0.04 7.13 7.21 2qp3A1 TRP 134 HH2 0.19 -0.04 -0.02 -0.04 7.19 7.28 2qp3A1 LYS 135 H -0.11 0.54 -0.18 -0.55 8.42 8.12 2qp3A1 LYS 135 HA 0.01 0.06 0.49 -0.75 4.32 4.13 2qp3A1 LYS 135 HB2 -0.18 -0.08 0.16 -0.04 1.87 1.73 2qp3A1 LYS 135 HB3 -0.43 0.09 0.18 -0.04 1.79 1.58 2qp3A1 LYS 135 HG2 -0.36 0.17 -0.01 -0.04 1.46 1.22 2qp3A1 LYS 135 HG3 -0.18 -0.05 -0.31 -0.04 1.46 0.89 2qp3A1 LYS 135 HD2 -0.34 -0.05 -0.02 -0.04 1.69 1.25 2qp3A1 LYS 135 HD3 -1.33 -0.05 -0.10 -0.04 1.68 0.16 2qp3A1 LYS 135 HE2 -0.11 0.02 -0.04 -0.04 2.99 2.82 2qp3A1 LYS 135 HE3 -0.08 -0.01 -0.05 -0.04 2.99 2.81 2qp3A1 ASN 136 H -0.14 0.47 -0.70 -0.55 8.53 7.63 2qp3A1 ASN 136 HA -0.08 0.03 0.89 -0.75 4.76 4.85 2qp3A1 ASN 136 HB2 -0.08 0.01 0.04 -0.04 2.88 2.81 2qp3A1 ASN 136 HB3 -0.18 0.26 0.16 -0.04 2.79 2.98 2qp3A1 ASN 136 HD21 -0.04 0.34 -0.01 -0.04 7.03 7.28 2qp3A1 ASN 136 HD22 -0.05 0.16 -0.09 -0.04 7.74 7.71 2qp3A1 ILE 137 H -0.04 0.48 -0.21 -0.55 8.25 7.94 2qp3A1 ILE 137 HA -0.08 0.14 1.15 -0.75 4.18 4.64 2qp3A1 ILE 137 HB 0.12 0.09 0.18 -0.04 1.89 2.24 2qp3A1 ILE 137 HG12 -0.30 -0.01 -0.05 -0.04 1.49 1.09 2qp3A1 ILE 137 HG13 -0.50 0.13 -0.40 -0.04 1.21 0.39 2qp3A1 ILE 137 HG23 0.11 0.02 -0.07 -0.04 0.93 0.95 2qp3A1 ILE 137 HD13 -0.80 -0.06 -0.12 -0.04 0.88 -0.14 2qp3A1 LYS 138 H -0.04 0.66 0.23 -0.55 8.42 8.72 2qp3A1 LYS 138 HA -0.25 0.02 0.36 -0.75 4.32 3.70 2qp3A1 LYS 138 HB2 -0.18 0.07 0.04 -0.04 1.87 1.76 2qp3A1 LYS 138 HB3 -1.46 -0.08 0.01 -0.04 1.79 0.21 2qp3A1 LYS 138 HG2 -0.27 -0.05 -0.12 -0.04 1.46 0.97 2qp3A1 LYS 138 HG3 -0.13 0.05 -0.50 -0.04 1.46 0.84 2qp3A1 LYS 138 HD2 -0.13 0.02 -0.09 -0.04 1.69 1.44 2qp3A1 LYS 138 HD3 -0.36 -0.08 -0.06 -0.04 1.68 1.14 2qp3A1 LYS 138 HE2 -0.04 0.15 -0.20 -0.04 2.99 2.86 2qp3A1 LYS 138 HE3 -0.04 -0.06 -0.05 -0.04 2.99 2.79 2qp3A1 PHE 139 H -0.46 0.11 0.13 -0.55 8.34 7.56 2qp3A1 PHE 139 HA 0.06 -0.01 0.33 -0.75 4.62 4.24 2qp3A1 PHE 139 HB2 0.10 0.15 -0.06 -0.04 3.15 3.30 2qp3A1 PHE 139 HB3 0.07 -0.08 0.14 -0.04 3.06 3.14 2qp3A1 PHE 139 HD2 0.12 0.05 -0.09 -0.04 7.28 7.32 2qp3A1 PHE 139 HE2 0.03 0.03 -0.02 -0.04 7.38 7.38 2qp3A1 PHE 139 HZ 0.00 0.02 -0.02 -0.04 7.32 7.28 2qp3A1 ILE 140 H 0.10 0.40 -0.56 -0.55 8.25 7.64 2qp3A1 ILE 140 HA 0.13 0.13 1.05 -0.75 4.18 4.73 2qp3A1 ILE 140 HB 0.04 -0.04 0.10 -0.04 1.89 1.95 2qp3A1 ILE 140 HG12 0.26 -0.06 0.04 -0.04 1.49 1.68 2qp3A1 ILE 140 HG13 0.14 0.13 0.11 -0.04 1.21 1.55 2qp3A1 ILE 140 HG23 0.16 0.00 -0.03 -0.04 0.93 1.02 2qp3A1 ILE 140 HD13 0.15 0.09 -0.14 -0.04 0.88 0.94 2qp3A1 LYS 141 H 0.12 0.38 0.25 -0.55 8.42 8.61 2qp3A1 LYS 141 HA 0.13 -0.06 0.36 -0.75 4.32 3.99 2qp3A1 LYS 141 HB2 0.16 0.13 0.21 -0.04 1.87 2.33 2qp3A1 LYS 141 HB3 0.07 -0.07 0.06 -0.04 1.79 1.81 2qp3A1 LYS 141 HG2 0.21 0.03 -0.15 -0.04 1.46 1.51 2qp3A1 LYS 141 HG3 0.12 -0.02 0.03 -0.04 1.46 1.56 2qp3A1 LYS 141 HD2 0.14 0.16 0.03 -0.04 1.69 1.98 2qp3A1 LYS 141 HD3 -0.29 -0.07 -0.06 -0.04 1.68 1.22 2qp3A1 LYS 141 HE2 0.06 0.04 0.01 -0.04 2.99 3.06 2qp3A1 LYS 141 HE3 -0.07 -0.06 -0.01 -0.04 2.99 2.81 2qp3A1 LYS 142 H 0.18 0.06 0.19 -0.55 8.42 8.29 2qp3A1 LYS 142 HA 0.26 0.24 0.94 -0.75 4.32 5.00 2qp3A1 LYS 142 HB2 0.10 -0.12 0.08 -0.04 1.87 1.90 2qp3A1 LYS 142 HB3 0.08 0.05 0.09 -0.04 1.79 1.97 2qp3A1 LYS 142 HG2 0.09 0.07 0.04 -0.04 1.46 1.61 2qp3A1 LYS 142 HG3 0.09 0.23 -0.03 -0.04 1.46 1.70 2qp3A1 LYS 142 HD2 0.02 -0.15 0.01 -0.04 1.69 1.54 2qp3A1 LYS 142 HD3 0.00 0.09 0.10 -0.04 1.68 1.83 2qp3A1 LYS 142 HE2 -0.04 -0.16 -0.10 -0.04 2.99 2.65 2qp3A1 LYS 142 HE3 -0.01 0.02 -0.17 -0.04 2.99 2.80 2qp3A1 PRO 143 HA -0.13 0.06 0.60 -0.51 4.44 4.46 2qp3A1 PRO 143 HB2 -0.20 -0.07 0.04 -0.04 2.28 2.01 2qp3A1 PRO 143 HB3 -0.47 0.05 0.05 -0.04 2.02 1.62 2qp3A1 PRO 143 HG2 0.08 0.01 0.05 -0.04 2.03 2.12 2qp3A1 PRO 143 HG3 0.16 0.04 0.06 -0.04 2.03 2.24 2qp3A1 PRO 143 HD2 0.11 0.16 0.23 -0.04 3.68 4.14 2qp3A1 PRO 143 HD3 0.39 0.20 0.13 -0.04 3.65 4.33 2qp3A1 LYS 144 H -0.07 0.12 0.18 -0.55 8.42 8.10 2qp3A1 LYS 144 HA 0.04 0.16 0.44 -0.75 4.32 4.21 2qp3A1 LYS 144 HB2 0.03 0.02 0.12 -0.04 1.87 2.00 2qp3A1 LYS 144 HB3 0.05 0.06 0.14 -0.04 1.79 2.00 2qp3A1 LYS 144 HG2 -0.06 -0.06 0.09 -0.04 1.46 1.38 2qp3A1 LYS 144 HG3 -0.03 -0.05 -0.20 -0.04 1.46 1.15 2qp3A1 LYS 144 HD2 0.02 0.02 -0.00 -0.04 1.69 1.69 2qp3A1 LYS 144 HD3 0.04 0.05 0.03 -0.04 1.68 1.75 2qp3A1 LYS 144 HE2 -0.02 -0.01 -0.01 -0.04 2.99 2.92 2qp3A1 LYS 144 HE3 -0.02 -0.06 -0.04 -0.04 2.99 2.83 2qp3A1 SER 145 H -0.08 0.08 -0.22 -0.55 8.46 7.69 2qp3A1 SER 145 HA 0.12 0.23 0.42 -0.75 4.49 4.50 2qp3A1 SER 145 HB2 0.06 -0.06 0.13 -0.04 3.95 4.05 2qp3A1 SER 145 HB3 0.03 0.29 -0.19 -0.04 3.93 4.01 2qp3A1 TRP 146 H 0.24 0.26 0.14 -0.55 7.97 8.06 2qp3A1 TRP 146 HA -0.60 0.13 0.41 -0.75 4.62 3.81 2qp3A1 TRP 146 HB2 -0.40 0.12 0.13 -0.04 3.23 3.04 2qp3A1 TRP 146 HB3 -0.16 -0.04 0.20 -0.04 3.23 3.19 2qp3A1 TRP 146 HD1 -0.17 -0.05 -0.01 -0.04 7.22 6.94 2qp3A1 TRP 146 HE1 -0.31 -0.05 -0.02 -0.04 10.20 9.79 2qp3A1 TRP 146 HE3 -1.88 0.02 0.02 -0.04 7.59 5.71 2qp3A1 TRP 146 HZ2 -0.32 -0.07 -0.23 -0.04 7.44 6.79 2qp3A1 TRP 146 HZ3 -0.29 0.08 -0.07 -0.04 7.13 6.81 2qp3A1 TRP 146 HH2 0.17 -0.01 -0.11 -0.04 7.19 7.19 2qp3A1 GLU 147 H -0.02 0.15 -0.06 -0.55 8.60 8.12 2qp3A1 GLU 147 HA -0.53 0.05 0.34 -0.75 4.29 3.40 2qp3A1 GLU 147 HB2 -0.09 -0.02 0.03 -0.04 2.09 1.97 2qp3A1 GLU 147 HB3 -0.13 0.06 -0.05 -0.04 1.99 1.83 2qp3A1 GLU 147 HG2 -0.04 0.06 0.02 -0.04 2.34 2.34 2qp3A1 GLU 147 HG3 -0.12 -0.01 0.05 -0.04 2.34 2.23 2qp3A1 GLU 148 H -0.22 0.08 -0.51 -0.55 8.60 7.41 2qp3A1 GLU 148 HA -0.32 0.09 0.45 -0.75 4.29 3.75 2qp3A1 GLU 148 HB2 -0.23 -0.02 0.07 -0.04 2.09 1.87 2qp3A1 GLU 148 HB3 -0.43 -0.01 0.15 -0.04 1.99 1.67 2qp3A1 GLU 148 HG2 -1.56 0.05 -0.16 -0.04 2.34 0.63 2qp3A1 GLU 148 HG3 -0.37 0.02 0.06 -0.04 2.34 2.01 2qp3A1 TYR 149 H -0.31 0.52 0.07 -0.55 8.29 8.03 2qp3A1 TYR 149 HA -0.59 0.05 0.45 -0.75 4.56 3.72 2qp3A1 TYR 149 HB2 -0.04 0.02 0.12 -0.04 3.06 3.13 2qp3A1 TYR 149 HB3 -0.31 0.05 0.13 -0.04 2.98 2.81 2qp3A1 TYR 149 HD2 0.08 0.00 -0.07 -0.04 7.15 7.12 2qp3A1 TYR 149 HE2 0.31 0.09 0.01 -0.04 6.85 7.22 2qp3A1 PHE 150 H -0.52 0.65 -0.18 -0.55 8.34 7.73 2qp3A1 PHE 150 HA -0.59 -0.01 0.34 -0.75 4.62 3.61 2qp3A1 PHE 150 HB2 -1.45 -0.00 0.04 -0.04 3.15 1.69 2qp3A1 PHE 150 HB3 -0.63 0.20 0.13 -0.04 3.06 2.72 2qp3A1 PHE 150 HD2 -0.67 0.04 -0.08 -0.04 7.28 6.52 2qp3A1 PHE 150 HE2 -0.80 -0.01 -0.04 -0.04 7.38 6.49 2qp3A1 PHE 150 HZ -0.00 0.19 0.04 -0.04 7.32 7.50 2qp3A1 GLU 151 H -0.21 0.39 -0.27 -0.55 8.60 7.96 2qp3A1 GLU 151 HA -0.10 0.00 0.41 -0.75 4.29 3.86 2qp3A1 GLU 151 HB2 -0.05 0.03 0.14 -0.04 2.09 2.17 2qp3A1 GLU 151 HB3 -0.09 0.13 0.12 -0.04 1.99 2.11 2qp3A1 GLU 151 HG2 0.04 -0.02 -0.00 -0.04 2.34 2.32 2qp3A1 GLU 151 HG3 0.08 -0.00 -0.08 -0.04 2.34 2.29 2qp3A1 TRP 152 H -0.17 0.45 -0.10 -0.55 7.97 7.60 2qp3A1 TRP 152 HA -0.11 -0.01 0.38 -0.75 4.62 4.14 2qp3A1 TRP 152 HB2 -0.32 0.04 0.15 -0.04 3.23 3.06 2qp3A1 TRP 152 HB3 -0.18 0.19 -0.14 -0.04 3.23 3.07 2qp3A1 TRP 152 HD1 -0.06 -0.09 -0.06 -0.04 7.22 6.98 2qp3A1 TRP 152 HE1 -0.00 -0.05 -0.01 -0.04 10.20 10.09 2qp3A1 TRP 152 HE3 0.06 0.01 -0.01 -0.04 7.59 7.61 2qp3A1 TRP 152 HZ2 0.04 -0.03 -0.03 -0.04 7.44 7.39 2qp3A1 TRP 152 HZ3 0.16 0.09 -0.27 -0.04 7.13 7.07 2qp3A1 TRP 152 HH2 0.09 0.16 -0.28 -0.04 7.19 7.11 2qp3A1 PHE 153 H -0.12 0.62 -0.09 -0.55 8.34 8.20 2qp3A1 PHE 153 HA -0.07 0.02 0.26 -0.75 4.62 4.08 2qp3A1 PHE 153 HB2 -0.40 0.04 0.07 -0.04 3.15 2.82 2qp3A1 PHE 153 HB3 -0.33 0.09 0.10 -0.04 3.06 2.88 2qp3A1 PHE 153 HD2 0.03 0.05 -0.20 -0.04 7.28 7.12 2qp3A1 PHE 153 HE2 -0.05 0.01 -0.09 -0.04 7.38 7.21 2qp3A1 PHE 153 HZ -0.65 -0.04 0.03 -0.04 7.32 6.62 2qp3A1 CYS 154 H -0.04 0.47 -0.24 -0.55 8.50 8.13 2qp3A1 CYS 154 HA 0.28 -0.02 0.42 -0.75 4.58 4.51 2qp3A1 CYS 154 HB2 -0.10 0.11 0.14 -0.04 2.97 3.08 2qp3A1 CYS 154 HB3 -0.02 -0.04 0.02 -0.04 2.97 2.89 2qp3A1 GLN 155 H 0.03 0.46 -0.25 -0.55 8.47 8.16 2qp3A1 GLN 155 HA 0.01 0.13 0.79 -0.75 4.36 4.54 2qp3A1 GLN 155 HB2 0.05 0.03 0.13 -0.04 2.15 2.32 2qp3A1 GLN 155 HB3 0.01 -0.06 0.15 -0.04 2.02 2.09 2qp3A1 GLN 155 HG2 0.01 -0.02 -0.00 -0.04 2.40 2.34 2qp3A1 GLN 155 HG3 0.02 0.05 -0.02 -0.04 2.39 2.40 2qp3A1 GLN 155 HE21 0.04 -0.03 -0.01 -0.04 6.97 6.92 2qp3A1 GLN 155 HE22 0.02 -0.00 -0.00 -0.04 7.69 7.66 2qp3A1 GLY 156 H -0.04 0.41 -0.27 -0.55 8.43 7.99 2qp3A1 GLY 156 HA2 -0.08 -0.03 0.21 -0.51 4.01 3.61 2qp3A1 GLY 156 HA3 -0.01 0.06 0.58 -0.51 4.01 4.12 2qp3A1 THR 157 H -0.05 0.21 -0.34 -0.55 8.28 7.55 2qp3A1 THR 157 HA -0.17 0.12 0.49 -0.75 4.39 4.08 2qp3A1 THR 157 HB -0.38 -0.01 0.08 -0.04 4.32 3.97 2qp3A1 THR 157 HG23 -0.09 0.02 -0.07 -0.04 1.22 1.04 2qp3A1 VAL 158 H -0.16 0.60 -0.13 -0.55 8.24 8.00 2qp3A1 VAL 158 HA -0.24 0.15 0.65 -0.75 4.13 3.94 2qp3A1 VAL 158 HB 0.02 -0.01 -0.01 -0.04 2.12 2.07 2qp3A1 VAL 158 HG13 0.01 -0.03 -0.41 -0.04 0.97 0.50 2qp3A1 VAL 158 HG23 -0.03 0.02 -0.30 -0.04 0.95 0.60 2qp3A1 LEU 159 H -0.33 0.13 0.06 -0.55 8.37 7.68 2qp3A1 LEU 159 HA -0.50 0.05 0.32 -0.75 4.35 3.47 2qp3A1 LEU 159 HB2 -0.72 -0.02 0.10 -0.04 1.64 0.96 2qp3A1 LEU 159 HB3 -0.57 0.03 -0.00 -0.04 1.64 1.05 2qp3A1 LEU 159 HG -0.55 -0.01 0.02 -0.04 1.64 1.07 2qp3A1 LEU 159 HD13 -1.34 0.01 -0.01 -0.04 0.93 -0.46 2qp3A1 LEU 159 HD23 -0.44 -0.02 -0.32 -0.04 0.89 0.07 2qp3A1 TYR 160 H -0.75 0.76 0.40 -0.55 8.29 8.14 2qp3A1 TYR 160 HA -0.53 -0.02 0.39 -0.75 4.56 3.65 2qp3A1 TYR 160 HB2 -0.41 0.30 0.11 -0.04 3.06 3.02 2qp3A1 TYR 160 HB3 -0.20 0.04 0.22 -0.04 2.98 3.00 2qp3A1 TYR 160 HD2 -0.18 0.07 -0.21 -0.04 7.15 6.79 2qp3A1 TYR 160 HE2 0.14 -0.06 -0.05 -0.04 6.85 6.84 2qp3A1 GLY 161 H -0.16 0.48 -0.15 -0.55 8.43 8.06 2qp3A1 GLY 161 HA2 -0.05 0.16 0.49 -0.51 4.01 4.09 2qp3A1 GLY 161 HA3 0.03 0.03 0.58 -0.51 4.01 4.14 2qp3A1 SER 162 H 0.05 0.11 0.25 -0.55 8.46 8.33 2qp3A1 SER 162 HA -0.06 0.09 0.58 -0.75 4.49 4.34 2qp3A1 SER 162 HB2 0.06 0.16 0.17 -0.04 3.95 4.29 2qp3A1 SER 162 HB3 0.07 0.03 0.23 -0.04 3.93 4.22 2qp3A1 TRP 163 H -0.37 0.23 0.24 -0.55 7.97 7.51 2qp3A1 TRP 163 HA -0.95 0.15 0.45 -0.75 4.62 3.52 2qp3A1 TRP 163 HB2 -1.21 0.09 0.14 -0.04 3.23 2.20 2qp3A1 TRP 163 HB3 -0.98 -0.04 0.14 -0.04 3.23 2.31 2qp3A1 TRP 163 HD1 -0.93 0.07 0.00 -0.04 7.22 6.32 2qp3A1 TRP 163 HE1 -0.05 -0.06 0.04 -0.04 10.20 10.09 2qp3A1 TRP 163 HE3 -0.94 -0.01 -0.22 -0.04 7.59 6.38 2qp3A1 TRP 163 HZ2 0.18 0.02 0.05 -0.04 7.44 7.65 2qp3A1 TRP 163 HZ3 0.06 0.05 -0.04 -0.04 7.13 7.16 2qp3A1 TRP 163 HH2 0.34 0.03 -0.02 -0.04 7.19 7.51 2qp3A1 PHE 164 H -0.19 0.10 -0.03 -0.55 8.34 7.67 2qp3A1 PHE 164 HA 0.10 0.10 0.38 -0.75 4.62 4.44 2qp3A1 PHE 164 HB2 0.02 -0.05 0.09 -0.04 3.15 3.17 2qp3A1 PHE 164 HB3 0.04 0.11 -0.00 -0.04 3.06 3.17 2qp3A1 PHE 164 HD2 0.09 0.03 0.03 -0.04 7.28 7.39 2qp3A1 PHE 164 HE2 0.02 0.06 0.04 -0.04 7.38 7.45 2qp3A1 PHE 164 HZ -0.26 -0.03 -0.03 -0.04 7.32 6.96 2qp3A1 ASP 165 H 0.15 0.05 -0.19 -0.55 8.40 7.86 2qp3A1 ASP 165 HA 0.04 0.07 0.40 -0.75 4.63 4.39 2qp3A1 ASP 165 HB2 0.08 0.08 0.14 -0.04 2.71 2.97 2qp3A1 ASP 165 HB3 0.03 0.03 0.02 -0.04 2.70 2.74 2qp3A1 HIS 166 H 0.16 0.52 -0.26 -0.55 8.41 8.28 2qp3A1 HIS 166 HA 0.18 -0.07 0.34 -0.75 4.63 4.33 2qp3A1 HIS 166 HB2 0.23 0.23 0.14 -0.04 3.26 3.83 2qp3A1 HIS 166 HB3 -0.06 0.06 0.13 -0.04 3.20 3.28 2qp3A1 HIS 166 HD2 0.33 0.13 0.01 -0.04 6.97 7.39 2qp3A1 HIS 166 HE1 0.15 -0.04 -0.36 -0.04 7.75 7.45 2qp3A1 ILE 167 H -0.17 0.49 -0.19 -0.55 8.25 7.82 2qp3A1 ILE 167 HA 0.02 0.03 0.47 -0.75 4.18 3.94 2qp3A1 ILE 167 HB -0.40 0.08 0.15 -0.04 1.89 1.68 2qp3A1 ILE 167 HG12 -1.27 0.11 0.05 -0.04 1.49 0.34 2qp3A1 ILE 167 HG13 -1.97 -0.07 -0.00 -0.04 1.21 -0.87 2qp3A1 ILE 167 HG23 -0.00 -0.01 -0.15 -0.04 0.93 0.72 2qp3A1 ILE 167 HD13 0.03 -0.02 -0.03 -0.04 0.88 0.82 2qp3A1 HIS 168 H 0.18 0.60 0.03 -0.55 8.41 8.67 2qp3A1 HIS 168 HA 0.00 0.01 0.42 -0.75 4.63 4.31 2qp3A1 HIS 168 HB2 -0.01 0.04 0.20 -0.04 3.26 3.46 2qp3A1 HIS 168 HB3 -0.02 -0.03 -0.03 -0.04 3.20 3.07 2qp3A1 HIS 168 HD2 -0.01 -0.02 -0.01 -0.04 6.97 6.89 2qp3A1 HIS 168 HE1 -0.00 0.03 -0.09 -0.04 7.75 7.65 2qp3A1 GLY 169 H 0.05 0.71 -0.07 -0.55 8.43 8.57 2qp3A1 GLY 169 HA2 -0.09 0.02 0.38 -0.51 4.01 3.81 2qp3A1 GLY 169 HA3 -0.17 -0.09 0.30 -0.51 4.01 3.54 2qp3A1 TRP 170 H 0.12 0.32 -0.27 -0.55 7.97 7.59 2qp3A1 TRP 170 HA -0.02 0.13 0.74 -0.75 4.62 4.72 2qp3A1 TRP 170 HB2 -0.21 0.12 0.11 -0.04 3.23 3.20 2qp3A1 TRP 170 HB3 -0.15 -0.04 -0.07 -0.04 3.23 2.93 2qp3A1 TRP 170 HD1 -0.13 0.17 0.01 -0.04 7.22 7.23 2qp3A1 TRP 170 HE1 -0.18 0.32 -0.04 -0.04 10.20 10.25 2qp3A1 TRP 170 HE3 0.24 -0.01 -0.01 -0.04 7.59 7.76 2qp3A1 TRP 170 HZ2 -0.60 0.06 -0.23 -0.04 7.44 6.63 2qp3A1 TRP 170 HZ3 0.02 0.03 -0.09 -0.04 7.13 7.05 2qp3A1 TRP 170 HH2 -1.25 0.01 -0.12 -0.04 7.19 5.78 2qp3A1 MET 171 H -0.01 0.58 0.02 -0.55 8.47 8.52 2qp3A1 MET 171 HA -0.14 -0.03 0.38 -0.75 4.52 3.97 2qp3A1 MET 171 HB2 -0.08 0.14 0.14 -0.04 2.15 2.30 2qp3A1 MET 171 HB3 -0.10 -0.08 0.01 -0.04 2.03 1.82 2qp3A1 MET 171 HG2 -0.06 0.31 0.10 -0.04 2.63 2.94 2qp3A1 MET 171 HG3 -0.03 -0.07 -0.05 -0.04 2.56 2.36 2qp3A1 MET 171 HE3 -0.19 0.01 -0.08 -0.04 2.10 1.80 2qp3A1 PRO 172 HA -0.08 0.01 0.37 -0.51 4.44 4.23 2qp3A1 PRO 172 HB2 -0.05 0.07 -0.05 -0.04 2.28 2.20 2qp3A1 PRO 172 HB3 -0.05 -0.04 0.10 -0.04 2.02 1.99 2qp3A1 PRO 172 HG2 -0.05 0.04 0.03 -0.04 2.03 2.01 2qp3A1 PRO 172 HG3 -0.04 -0.04 0.05 -0.04 2.03 1.95 2qp3A1 PRO 172 HD2 -0.06 0.22 -0.60 -0.04 3.68 3.20 2qp3A1 PRO 172 HD3 -0.05 0.29 0.00 -0.04 3.65 3.85 2qp3A1 MET 173 H -0.27 0.46 -0.64 -0.55 8.47 7.47 2qp3A1 MET 173 HA -0.15 0.13 0.90 -0.75 4.52 4.65 2qp3A1 MET 173 HB2 -0.66 0.12 -0.01 -0.04 2.15 1.56 2qp3A1 MET 173 HB3 -0.11 -0.07 0.10 -0.04 2.03 1.91 2qp3A1 MET 173 HG2 0.04 -0.03 -0.20 -0.04 2.63 2.40 2qp3A1 MET 173 HG3 0.13 0.10 -0.03 -0.04 2.56 2.72 2qp3A1 MET 173 HE3 0.93 0.01 -0.07 -0.04 2.10 2.93 2qp3A1 ARG 174 H -0.39 0.73 0.03 -0.55 8.46 8.28 2qp3A1 ARG 174 HA -0.47 0.04 0.26 -0.75 4.34 3.42 2qp3A1 ARG 174 HB2 -0.02 -0.06 0.14 -0.04 1.90 1.91 2qp3A1 ARG 174 HB3 -0.15 -0.01 0.18 -0.04 1.80 1.77 2qp3A1 ARG 174 HG2 -0.14 0.23 0.09 -0.04 1.67 1.81 2qp3A1 ARG 174 HG3 -0.09 -0.04 -0.16 -0.04 1.67 1.34 2qp3A1 ARG 174 HD2 -0.08 -0.05 0.01 -0.04 3.22 3.05 2qp3A1 ARG 174 HD3 -0.11 -0.02 0.05 -0.04 3.22 3.10 2qp3A1 GLU 175 H -0.12 0.02 -0.65 -0.55 8.60 7.31 2qp3A1 GLU 175 HA 0.02 0.24 0.97 -0.75 4.29 4.77 2qp3A1 GLU 175 HB2 -0.04 -0.01 -0.01 -0.04 2.09 1.99 2qp3A1 GLU 175 HB3 -0.00 -0.04 0.05 -0.04 1.99 1.96 2qp3A1 GLU 175 HG2 -0.00 -0.00 0.04 -0.04 2.34 2.33 2qp3A1 GLU 175 HG3 -0.03 0.02 -0.19 -0.04 2.34 2.10 2qp3A1 GLU 176 H -0.02 0.47 0.02 -0.55 8.60 8.52 2qp3A1 GLU 176 HA 0.06 -0.01 0.48 -0.75 4.29 4.07 2qp3A1 GLU 176 HB2 0.19 0.10 0.06 -0.04 2.09 2.40 2qp3A1 GLU 176 HB3 0.13 -0.11 0.10 -0.04 1.99 2.07 2qp3A1 GLU 176 HG2 -0.01 0.02 0.21 -0.04 2.34 2.52 2qp3A1 GLU 176 HG3 0.10 0.03 0.06 -0.04 2.34 2.49 2qp3A1 LYS 177 H 0.09 0.09 0.20 -0.55 8.42 8.25 2qp3A1 LYS 177 HA 0.15 0.18 0.54 -0.75 4.32 4.43 2qp3A1 LYS 177 HB2 0.06 -0.02 0.12 -0.04 1.87 1.98 2qp3A1 LYS 177 HB3 0.05 0.04 0.12 -0.04 1.79 1.96 2qp3A1 LYS 177 HG2 0.05 0.02 0.06 -0.04 1.46 1.55 2qp3A1 LYS 177 HG3 0.06 -0.00 0.08 -0.04 1.46 1.56 2qp3A1 LYS 177 HD2 0.03 -0.03 0.04 -0.04 1.69 1.68 2qp3A1 LYS 177 HD3 0.03 -0.01 0.06 -0.04 1.68 1.72 2qp3A1 LYS 177 HE2 0.01 -0.04 0.03 -0.04 2.99 2.95 2qp3A1 LYS 177 HE3 0.02 0.05 0.03 -0.04 2.99 3.05 2qp3A1 ASN 178 H 0.20 0.01 -0.25 -0.55 8.53 7.94 2qp3A1 ASN 178 HA 0.17 0.26 0.83 -0.75 4.76 5.27 2qp3A1 ASN 178 HB2 0.18 0.18 -0.01 -0.04 2.88 3.19 2qp3A1 ASN 178 HB3 0.09 -0.03 -0.05 -0.04 2.79 2.76 2qp3A1 ASN 178 HD21 0.01 -0.05 -0.09 -0.04 7.03 6.86 2qp3A1 ASN 178 HD22 0.21 0.47 -0.12 -0.04 7.74 8.26 2qp3A1 PHE 179 H 0.45 0.38 -0.54 -0.55 8.34 8.08 2qp3A1 PHE 179 HA 0.12 0.24 0.95 -0.75 4.62 5.18 2qp3A1 PHE 179 HB2 0.19 -0.07 -0.21 -0.04 3.15 3.02 2qp3A1 PHE 179 HB3 0.10 0.14 0.02 -0.04 3.06 3.29 2qp3A1 PHE 179 HD2 0.09 0.03 -0.32 -0.04 7.28 7.03 2qp3A1 PHE 179 HE2 0.04 -0.06 -0.16 -0.04 7.38 7.16 2qp3A1 PHE 179 HZ -0.22 -0.07 -0.20 -0.04 7.32 6.78 2qp3A1 LEU 180 H -0.72 0.72 0.32 -0.55 8.37 8.15 2qp3A1 LEU 180 HA -0.30 0.20 0.97 -0.75 4.35 4.47 2qp3A1 LEU 180 HB2 -2.32 0.07 -0.07 -0.04 1.64 -0.72 2qp3A1 LEU 180 HB3 -1.15 -0.05 0.13 -0.04 1.64 0.53 2qp3A1 LEU 180 HG -0.36 -0.07 -0.36 -0.04 1.64 0.82 2qp3A1 LEU 180 HD13 -0.18 -0.01 0.01 -0.04 0.93 0.71 2qp3A1 LEU 180 HD23 -0.30 -0.02 -0.18 -0.04 0.89 0.35 2qp3A1 LEU 181 H -0.03 0.25 0.17 -0.55 8.37 8.21 2qp3A1 LEU 181 HA -0.04 0.22 1.00 -0.75 4.35 4.76 2qp3A1 LEU 181 HB2 0.35 0.02 0.05 -0.04 1.64 2.02 2qp3A1 LEU 181 HB3 0.09 0.01 0.19 -0.04 1.64 1.89 2qp3A1 LEU 181 HG 0.08 -0.06 -0.27 -0.04 1.64 1.34 2qp3A1 LEU 181 HD13 0.19 0.03 0.01 -0.04 0.93 1.12 2qp3A1 LEU 181 HD23 0.01 -0.00 0.00 -0.04 0.89 0.86 2qp3A1 LEU 182 H 0.02 0.87 0.44 -0.55 8.37 9.16 2qp3A1 LEU 182 HA -0.01 0.15 0.92 -0.75 4.35 4.66 2qp3A1 LEU 182 HB2 -0.08 -0.00 -0.09 -0.04 1.64 1.43 2qp3A1 LEU 182 HB3 -0.07 -0.06 -0.00 -0.04 1.64 1.46 2qp3A1 LEU 182 HG -0.16 0.04 -0.48 -0.04 1.64 0.99 2qp3A1 LEU 182 HD13 -0.15 -0.01 -0.15 -0.04 0.93 0.58 2qp3A1 LEU 182 HD23 -0.09 0.03 -0.02 -0.04 0.89 0.77 2qp3A1 SER 183 H 0.04 0.17 0.22 -0.55 8.46 8.34 2qp3A1 SER 183 HA 0.28 0.36 1.15 -0.75 4.49 5.52 2qp3A1 SER 183 HB2 0.39 -0.11 0.18 -0.04 3.95 4.37 2qp3A1 SER 183 HB3 0.22 0.21 0.05 -0.04 3.93 4.37 2qp3A1 TYR 184 H 0.35 0.79 0.44 -0.55 8.29 9.32 2qp3A1 TYR 184 HA -0.01 0.12 0.46 -0.75 4.56 4.37 2qp3A1 TYR 184 HB2 0.10 0.27 0.13 -0.04 3.06 3.51 2qp3A1 TYR 184 HB3 0.11 -0.19 0.24 -0.04 2.98 3.09 2qp3A1 TYR 184 HD2 0.13 0.06 -0.09 -0.04 7.15 7.21 2qp3A1 TYR 184 HE2 0.26 -0.03 -0.07 -0.04 6.85 6.97 2qp3A1 GLU 185 H 0.34 0.09 -0.01 -0.55 8.60 8.48 2qp3A1 GLU 185 HA 0.19 0.07 0.38 -0.75 4.29 4.17 2qp3A1 GLU 185 HB2 0.29 -0.00 0.12 -0.04 2.09 2.46 2qp3A1 GLU 185 HB3 0.19 0.10 -0.02 -0.04 1.99 2.22 2qp3A1 GLU 185 HG2 0.43 0.03 0.05 -0.04 2.34 2.81 2qp3A1 GLU 185 HG3 0.26 0.05 0.07 -0.04 2.34 2.68 2qp3A1 GLU 186 H 0.07 0.11 -0.21 -0.55 8.60 8.03 2qp3A1 GLU 186 HA -0.01 0.06 0.45 -0.75 4.29 4.03 2qp3A1 GLU 186 HB2 -0.02 0.04 0.06 -0.04 2.09 2.13 2qp3A1 GLU 186 HB3 0.01 -0.01 0.11 -0.04 1.99 2.06 2qp3A1 GLU 186 HG2 -0.03 0.19 0.17 -0.04 2.34 2.64 2qp3A1 GLU 186 HG3 -0.08 0.04 -0.22 -0.04 2.34 2.04 2qp3A1 LEU 187 H -0.15 0.38 -0.28 -0.55 8.37 7.77 2qp3A1 LEU 187 HA -0.34 0.01 0.29 -0.75 4.35 3.56 2qp3A1 LEU 187 HB2 -0.39 0.03 0.09 -0.04 1.64 1.33 2qp3A1 LEU 187 HB3 -0.64 0.13 0.21 -0.04 1.64 1.30 2qp3A1 LEU 187 HG -2.02 0.00 -0.20 -0.04 1.64 -0.62 2qp3A1 LEU 187 HD13 -0.65 0.00 -0.04 -0.04 0.93 0.20 2qp3A1 LEU 187 HD23 -0.82 -0.02 -0.08 -0.04 0.89 -0.07 2qp3A1 LYS 188 H -0.27 0.53 -0.17 -0.55 8.42 7.95 2qp3A1 LYS 188 HA 0.16 0.04 0.52 -0.75 4.32 4.29 2qp3A1 LYS 188 HB2 -0.15 -0.02 0.06 -0.04 1.87 1.72 2qp3A1 LYS 188 HB3 -0.04 0.04 0.13 -0.04 1.79 1.88 2qp3A1 LYS 188 HG2 -0.06 0.02 -0.17 -0.04 1.46 1.21 2qp3A1 LYS 188 HG3 -0.06 -0.04 0.05 -0.04 1.46 1.36 2qp3A1 LYS 188 HD2 -0.08 -0.01 -0.02 -0.04 1.69 1.54 2qp3A1 LYS 188 HD3 -0.01 -0.04 -0.02 -0.04 1.68 1.57 2qp3A1 LYS 188 HE2 -0.30 0.00 -0.02 -0.04 2.99 2.63 2qp3A1 LYS 188 HE3 -1.24 -0.01 -0.00 -0.04 2.99 1.69 2qp3A1 GLN 189 H -0.03 0.64 0.06 -0.55 8.47 8.60 2qp3A1 GLN 189 HA 0.01 -0.02 0.41 -0.75 4.36 4.02 2qp3A1 GLN 189 HB2 0.02 -0.01 0.12 -0.04 2.15 2.25 2qp3A1 GLN 189 HB3 -0.00 0.00 0.14 -0.04 2.02 2.12 2qp3A1 GLN 189 HG2 0.01 0.01 -0.13 -0.04 2.40 2.25 2qp3A1 GLN 189 HG3 0.02 -0.03 0.05 -0.04 2.39 2.39 2qp3A1 GLN 189 HE21 0.01 0.00 -0.02 -0.04 6.97 6.93 2qp3A1 GLN 189 HE22 0.01 -0.01 -0.01 -0.04 7.69 7.64 2qp3A1 ASP 190 H -0.05 0.61 -0.35 -0.55 8.40 8.06 2qp3A1 ASP 190 HA 0.01 0.05 0.46 -0.75 4.63 4.39 2qp3A1 ASP 190 HB2 -0.00 -0.16 0.12 -0.04 2.71 2.62 2qp3A1 ASP 190 HB3 0.00 0.21 0.00 -0.04 2.70 2.87 2qp3A1 THR 191 H 0.02 0.22 0.09 -0.55 8.28 8.06 2qp3A1 THR 191 HA -0.15 0.12 0.46 -0.75 4.39 4.07 2qp3A1 THR 191 HB 0.05 -0.05 0.02 -0.04 4.32 4.31 2qp3A1 THR 191 HG23 -0.04 0.07 0.02 -0.04 1.22 1.23 2qp3A1 GLY 192 H 0.00 0.08 -0.20 -0.55 8.43 7.77 2qp3A1 GLY 192 HA2 -0.00 0.09 0.34 -0.51 4.01 3.93 2qp3A1 GLY 192 HA3 0.00 0.05 0.25 -0.51 4.01 3.80 2qp3A1 ARG 193 H -0.02 0.13 -0.18 -0.55 8.46 7.84 2qp3A1 ARG 193 HA -0.02 0.04 0.36 -0.75 4.34 3.97 2qp3A1 ARG 193 HB2 -0.02 -0.04 0.12 -0.04 1.90 1.92 2qp3A1 ARG 193 HB3 -0.03 0.09 0.06 -0.04 1.80 1.88 2qp3A1 ARG 193 HG2 -0.01 -0.02 0.03 -0.04 1.67 1.63 2qp3A1 ARG 193 HG3 -0.01 0.01 0.00 -0.04 1.67 1.62 2qp3A1 ARG 193 HD2 -0.02 0.02 -0.21 -0.04 3.22 2.96 2qp3A1 ARG 193 HD3 -0.02 -0.04 0.03 -0.04 3.22 3.16 2qp3A1 THR 194 H -0.07 0.44 -0.18 -0.55 8.28 7.93 2qp3A1 THR 194 HA -0.07 0.01 0.35 -0.75 4.39 3.93 2qp3A1 THR 194 HB -0.16 0.13 0.10 -0.04 4.32 4.34 2qp3A1 THR 194 HG23 -0.17 -0.02 -0.10 -0.04 1.22 0.89 2qp3A1 ILE 195 H -0.06 0.73 -0.11 -0.55 8.25 8.26 2qp3A1 ILE 195 HA -0.05 0.01 0.36 -0.75 4.18 3.75 2qp3A1 ILE 195 HB -0.02 0.08 0.12 -0.04 1.89 2.03 2qp3A1 ILE 195 HG12 -0.04 -0.04 -0.04 -0.04 1.49 1.32 2qp3A1 ILE 195 HG13 -0.06 0.18 0.03 -0.04 1.21 1.32 2qp3A1 ILE 195 HG23 -0.01 -0.02 -0.18 -0.04 0.93 0.68 2qp3A1 ILE 195 HD13 0.01 -0.02 -0.18 -0.04 0.88 0.65 2qp3A1 GLU 196 H -0.02 0.52 -0.22 -0.55 8.60 8.33 2qp3A1 GLU 196 HA -0.00 0.00 0.40 -0.75 4.29 3.94 2qp3A1 GLU 196 HB2 -0.00 -0.03 0.09 -0.04 2.09 2.10 2qp3A1 GLU 196 HB3 -0.01 0.23 0.19 -0.04 1.99 2.36 2qp3A1 GLU 196 HG2 -0.00 -0.05 -0.01 -0.04 2.34 2.24 2qp3A1 GLU 196 HG3 0.00 0.02 -0.19 -0.04 2.34 2.13 2qp3A1 LYS 197 H -0.02 0.41 -0.17 -0.55 8.42 8.09 2qp3A1 LYS 197 HA 0.02 0.03 0.46 -0.75 4.32 4.07 2qp3A1 LYS 197 HB2 -0.04 0.14 0.17 -0.04 1.87 2.09 2qp3A1 LYS 197 HB3 -0.03 -0.00 -0.02 -0.04 1.79 1.70 2qp3A1 LYS 197 HG2 -0.01 -0.02 0.03 -0.04 1.46 1.42 2qp3A1 LYS 197 HG3 -0.02 0.12 0.03 -0.04 1.46 1.54 2qp3A1 LYS 197 HD2 -0.05 -0.07 -0.02 -0.04 1.69 1.51 2qp3A1 LYS 197 HD3 -0.05 0.06 0.01 -0.04 1.68 1.66 2qp3A1 LYS 197 HE2 -0.02 0.01 -0.00 -0.04 2.99 2.94 2qp3A1 LYS 197 HE3 -0.03 -0.06 -0.06 -0.04 2.99 2.81 2qp3A1 ILE 198 H -0.02 0.55 -0.11 -0.55 8.25 8.12 2qp3A1 ILE 198 HA 0.07 0.03 0.35 -0.75 4.18 3.89 2qp3A1 ILE 198 HB -0.01 0.11 0.07 -0.04 1.89 2.01 2qp3A1 ILE 198 HG12 -0.08 -0.03 -0.06 -0.04 1.49 1.28 2qp3A1 ILE 198 HG13 -0.07 0.18 0.03 -0.04 1.21 1.31 2qp3A1 ILE 198 HG23 0.02 -0.01 -0.13 -0.04 0.93 0.77 2qp3A1 ILE 198 HD13 -0.10 -0.03 -0.13 -0.04 0.88 0.58 2qp3A1 CYS 199 H 0.02 0.45 -0.29 -0.55 8.50 8.13 2qp3A1 CYS 199 HA 0.02 0.00 0.42 -0.75 4.58 4.26 2qp3A1 CYS 199 HB2 0.01 0.07 0.15 -0.04 2.97 3.15 2qp3A1 CYS 199 HB3 0.01 0.15 -0.03 -0.04 2.97 3.05 2qp3A1 GLN 200 H 0.04 0.51 -0.11 -0.55 8.47 8.36 2qp3A1 GLN 200 HA 0.02 0.02 0.47 -0.75 4.36 4.11 2qp3A1 GLN 200 HB2 0.03 0.17 0.24 -0.04 2.15 2.56 2qp3A1 GLN 200 HB3 0.06 0.04 0.09 -0.04 2.02 2.18 2qp3A1 GLN 200 HG2 0.02 -0.06 0.03 -0.04 2.40 2.35 2qp3A1 GLN 200 HG3 0.03 0.01 0.03 -0.04 2.39 2.41 2qp3A1 GLN 200 HE21 0.00 -0.04 -0.00 -0.04 6.97 6.89 2qp3A1 GLN 200 HE22 0.01 0.02 0.04 -0.04 7.69 7.72 2qp3A1 PHE 201 H 0.18 0.73 -0.02 -0.55 8.34 8.68 2qp3A1 PHE 201 HA -0.00 0.04 0.37 -0.75 4.62 4.27 2qp3A1 PHE 201 HB2 -0.02 -0.05 0.06 -0.04 3.15 3.10 2qp3A1 PHE 201 HB3 -0.03 -0.01 0.09 -0.04 3.06 3.08 2qp3A1 PHE 201 HD2 -0.02 -0.00 -0.12 -0.04 7.28 7.09 2qp3A1 PHE 201 HE2 -0.01 -0.02 -0.37 -0.04 7.38 6.95 2qp3A1 PHE 201 HZ -0.01 0.01 -0.38 -0.04 7.32 6.90 2qp3A1 LEU 202 H 0.07 0.44 -0.29 -0.55 8.37 8.04 2qp3A1 LEU 202 HA -0.26 0.13 0.62 -0.75 4.35 4.09 2qp3A1 LEU 202 HB2 0.01 0.01 0.07 -0.04 1.64 1.69 2qp3A1 LEU 202 HB3 -0.03 -0.05 0.03 -0.04 1.64 1.55 2qp3A1 LEU 202 HG 0.19 0.08 0.00 -0.04 1.64 1.87 2qp3A1 LEU 202 HD13 0.03 -0.04 -0.08 -0.04 0.93 0.80 2qp3A1 LEU 202 HD23 -0.03 0.00 -0.13 -0.04 0.89 0.70 2qp3A1 GLY 203 H -0.03 0.32 -0.34 -0.55 8.43 7.83 2qp3A1 GLY 203 HA2 -0.03 -0.00 0.32 -0.51 4.01 3.80 2qp3A1 GLY 203 HA3 -0.05 0.01 0.47 -0.51 4.01 3.93 2qp3A1 LYS 204 H -0.01 0.42 0.10 -0.55 8.42 8.38 2qp3A1 LYS 204 HA -0.01 0.14 0.79 -0.75 4.32 4.49 2qp3A1 LYS 204 HB2 -0.00 0.06 -0.09 -0.04 1.87 1.80 2qp3A1 LYS 204 HB3 0.00 -0.08 -0.00 -0.04 1.79 1.67 2qp3A1 LYS 204 HG2 0.00 -0.01 -0.08 -0.04 1.46 1.33 2qp3A1 LYS 204 HG3 -0.01 0.04 -0.09 -0.04 1.46 1.37 2qp3A1 LYS 204 HD2 -0.01 -0.04 0.14 -0.04 1.69 1.73 2qp3A1 LYS 204 HD3 -0.00 0.03 -0.00 -0.04 1.68 1.66 2qp3A1 LYS 204 HE2 -0.02 0.10 0.04 -0.04 2.99 3.07 2qp3A1 LYS 204 HE3 -0.02 0.07 0.11 -0.04 2.99 3.11 2qp3A1 THR 205 H -0.01 0.27 0.20 -0.55 8.28 8.19 2qp3A1 THR 205 HA -0.00 0.17 0.82 -0.75 4.39 4.62 2qp3A1 THR 205 HB -0.01 -0.04 0.02 -0.04 4.32 4.26 2qp3A1 THR 205 HG23 -0.01 0.02 -0.20 -0.04 1.22 0.99 2qp3A1 LEU 206 H -0.00 0.24 0.14 -0.55 8.37 8.20 2qp3A1 LEU 206 HA -0.01 0.20 0.88 -0.75 4.35 4.67 2qp3A1 LEU 206 HB2 -0.00 -0.04 -0.07 -0.04 1.64 1.49 2qp3A1 LEU 206 HB3 -0.00 -0.05 -0.02 -0.04 1.64 1.53 2qp3A1 LEU 206 HG -0.00 -0.04 -0.59 -0.04 1.64 0.96 2qp3A1 LEU 206 HD13 0.00 -0.00 -0.18 -0.04 0.93 0.71 2qp3A1 LEU 206 HD23 -0.01 0.06 -0.02 -0.04 0.89 0.88 2qp3A1 GLU 207 H -0.01 0.16 0.17 -0.55 8.60 8.38 2qp3A1 GLU 207 HA -0.00 0.21 0.63 -0.75 4.29 4.37 2qp3A1 GLU 207 HB2 -0.00 -0.08 0.16 -0.04 2.09 2.12 2qp3A1 GLU 207 HB3 -0.00 -0.01 0.13 -0.04 1.99 2.07 2qp3A1 GLU 207 HG2 -0.01 0.03 0.05 -0.04 2.34 2.38 2qp3A1 GLU 207 HG3 -0.01 0.04 0.06 -0.04 2.34 2.39 2qp3A1 PRO 208 HA 0.00 0.10 0.38 -0.51 4.44 4.41 2qp3A1 PRO 208 HB2 0.00 0.01 0.07 -0.04 2.28 2.32 2qp3A1 PRO 208 HB3 0.00 0.06 0.10 -0.04 2.02 2.14 2qp3A1 PRO 208 HG2 0.00 0.07 0.11 -0.04 2.03 2.16 2qp3A1 PRO 208 HG3 0.00 0.10 0.13 -0.04 2.03 2.22 2qp3A1 PRO 208 HD2 -0.00 0.08 0.22 -0.04 3.68 3.94 2qp3A1 PRO 208 HD3 -0.00 0.22 0.30 -0.04 3.65 4.12 2qp3A1 GLU 209 H 0.00 0.12 -0.28 -0.55 8.60 7.90 2qp3A1 GLU 209 HA 0.01 0.11 0.54 -0.75 4.29 4.19 2qp3A1 GLU 209 HB2 0.00 0.01 0.04 -0.04 2.09 2.10 2qp3A1 GLU 209 HB3 0.00 0.06 0.04 -0.04 1.99 2.06 2qp3A1 GLU 209 HG2 0.00 0.03 -0.01 -0.04 2.34 2.32 2qp3A1 GLU 209 HG3 0.00 -0.07 -0.02 -0.04 2.34 2.22 2qp3A1 GLU 210 H 0.00 0.25 -0.22 -0.55 8.60 8.09 2qp3A1 GLU 210 HA 0.00 0.21 0.58 -0.75 4.29 4.32 2qp3A1 GLU 210 HB2 -0.00 -0.01 0.16 -0.04 2.09 2.19 2qp3A1 GLU 210 HB3 -0.00 0.11 0.07 -0.04 1.99 2.13 2qp3A1 GLU 210 HG2 -0.00 0.12 0.06 -0.04 2.34 2.47 2qp3A1 GLU 210 HG3 -0.00 -0.17 0.08 -0.04 2.34 2.21 2qp3A1 LEU 211 H 0.00 0.44 -0.16 -0.55 8.37 8.11 2qp3A1 LEU 211 HA 0.01 0.07 0.30 -0.75 4.35 3.98 2qp3A1 LEU 211 HB2 0.00 0.02 -0.05 -0.04 1.64 1.58 2qp3A1 LEU 211 HB3 0.01 0.10 0.06 -0.04 1.64 1.76 2qp3A1 LEU 211 HG 0.01 -0.03 -0.25 -0.04 1.64 1.33 2qp3A1 LEU 211 HD13 0.01 -0.00 -0.07 -0.04 0.93 0.83 2qp3A1 LEU 211 HD23 0.00 0.00 -0.07 -0.04 0.89 0.79 2qp3A1 ASN 212 H 0.01 0.49 -0.18 -0.55 8.53 8.30 2qp3A1 ASN 212 HA 0.01 -0.01 0.30 -0.75 4.76 4.32 2qp3A1 ASN 212 HB2 0.01 0.09 0.14 -0.04 2.88 3.08 2qp3A1 ASN 212 HB3 0.01 -0.02 -0.04 -0.04 2.79 2.70 2qp3A1 ASN 212 HD21 0.01 -0.04 -0.06 -0.04 7.03 6.90 2qp3A1 ASN 212 HD22 0.01 -0.02 -0.01 -0.04 7.74 7.67 2qp3A1 LEU 213 H 0.01 0.40 -0.33 -0.55 8.37 7.91 2qp3A1 LEU 213 HA 0.02 -0.01 0.39 -0.75 4.35 3.99 2qp3A1 LEU 213 HB2 0.01 0.00 0.13 -0.04 1.64 1.74 2qp3A1 LEU 213 HB3 0.01 0.17 0.16 -0.04 1.64 1.94 2qp3A1 LEU 213 HG 0.02 0.10 -0.14 -0.04 1.64 1.58 2qp3A1 LEU 213 HD13 0.01 -0.04 0.03 -0.04 0.93 0.90 2qp3A1 LEU 213 HD23 0.02 0.02 -0.14 -0.04 0.89 0.74 2qp3A1 ILE 214 H 0.02 0.60 -0.20 -0.55 8.25 8.12 2qp3A1 ILE 214 HA 0.03 0.01 0.31 -0.75 4.18 3.78 2qp3A1 ILE 214 HB 0.02 0.05 0.11 -0.04 1.89 2.02 2qp3A1 ILE 214 HG12 0.02 -0.06 -0.27 -0.04 1.49 1.14 2qp3A1 ILE 214 HG13 0.02 0.14 -0.19 -0.04 1.21 1.14 2qp3A1 ILE 214 HG23 0.03 -0.02 -0.27 -0.04 0.93 0.63 2qp3A1 ILE 214 HD13 0.01 -0.03 -0.25 -0.04 0.88 0.57 2qp3A1 LEU 215 H 0.03 0.85 -0.14 -0.55 8.37 8.57 2qp3A1 LEU 215 HA 0.05 -0.02 0.27 -0.75 4.35 3.90 2qp3A1 LEU 215 HB2 0.03 0.16 0.06 -0.04 1.64 1.85 2qp3A1 LEU 215 HB3 0.04 -0.11 -0.02 -0.04 1.64 1.50 2qp3A1 LEU 215 HG 0.02 0.15 -0.05 -0.04 1.64 1.72 2qp3A1 LEU 215 HD13 0.02 -0.03 -0.11 -0.04 0.93 0.76 2qp3A1 LEU 215 HD23 0.02 -0.03 -0.09 -0.04 0.89 0.76 2qp3A1 LYS 216 H 0.03 0.41 -0.44 -0.55 8.42 7.87 2qp3A1 LYS 216 HA 0.04 -0.00 0.56 -0.75 4.32 4.16 2qp3A1 LYS 216 HB2 0.02 -0.01 0.08 -0.04 1.87 1.93 2qp3A1 LYS 216 HB3 0.02 0.15 0.15 -0.04 1.79 2.07 2qp3A1 LYS 216 HG2 0.01 0.02 -0.16 -0.04 1.46 1.29 2qp3A1 LYS 216 HG3 0.01 -0.08 0.06 -0.04 1.46 1.42 2qp3A1 LYS 216 HD2 0.01 0.02 -0.02 -0.04 1.69 1.66 2qp3A1 LYS 216 HD3 0.01 -0.03 -0.02 -0.04 1.68 1.59 2qp3A1 LYS 216 HE2 0.01 -0.04 -0.02 -0.04 2.99 2.90 2qp3A1 LYS 216 HE3 0.01 -0.04 -0.01 -0.04 2.99 2.91 2qp3A1 ASN 217 H 0.04 0.56 -0.00 -0.55 8.53 8.58 2qp3A1 ASN 217 HA 0.02 0.08 0.63 -0.75 4.76 4.74 2qp3A1 ASN 217 HB2 0.04 0.06 0.05 -0.04 2.88 2.99 2qp3A1 ASN 217 HB3 0.03 -0.03 0.10 -0.04 2.79 2.85 2qp3A1 ASN 217 HD21 0.02 -0.15 0.04 -0.04 7.03 6.90 2qp3A1 ASN 217 HD22 0.03 0.20 0.03 -0.04 7.74 7.96 2qp3A1 SER 218 H 0.08 0.23 -0.63 -0.55 8.46 7.59 2qp3A1 SER 218 HA 0.18 0.24 0.87 -0.75 4.49 5.02 2qp3A1 SER 218 HB2 0.26 -0.10 0.06 -0.04 3.95 4.13 2qp3A1 SER 218 HB3 0.12 0.02 -0.19 -0.04 3.93 3.85 2qp3A1 SER 219 H 0.09 0.22 -0.22 -0.55 8.46 8.01 2qp3A1 SER 219 HA 0.28 0.12 0.64 -0.75 4.49 4.77 2qp3A1 SER 219 HB2 0.11 -0.12 0.16 -0.04 3.95 4.06 2qp3A1 SER 219 HB3 0.09 0.22 0.16 -0.04 3.93 4.36 2qp3A1 PHE 220 H 0.31 0.18 0.17 -0.55 8.34 8.45 2qp3A1 PHE 220 HA -0.86 0.11 0.33 -0.75 4.62 3.45 2qp3A1 PHE 220 HB2 0.03 0.07 0.16 -0.04 3.15 3.36 2qp3A1 PHE 220 HB3 -0.04 -0.03 0.13 -0.04 3.06 3.07 2qp3A1 PHE 220 HD2 -0.54 0.00 -0.02 -0.04 7.28 6.68 2qp3A1 PHE 220 HE2 -0.07 -0.00 -0.03 -0.04 7.38 7.23 2qp3A1 PHE 220 HZ -0.02 0.01 -0.02 -0.04 7.32 7.24 2qp3A1 GLN 221 H -0.01 0.06 -0.17 -0.55 8.47 7.81 2qp3A1 GLN 221 HA -0.32 0.07 0.40 -0.75 4.36 3.75 2qp3A1 GLN 221 HB2 -0.06 0.03 0.02 -0.04 2.15 2.10 2qp3A1 GLN 221 HB3 -0.08 0.06 0.03 -0.04 2.02 1.98 2qp3A1 GLN 221 HG2 0.01 0.04 0.03 -0.04 2.40 2.44 2qp3A1 GLN 221 HG3 0.02 -0.00 0.04 -0.04 2.39 2.41 2qp3A1 GLN 221 HE21 0.17 -0.01 0.12 -0.04 6.97 7.20 2qp3A1 GLN 221 HE22 0.23 0.02 0.05 -0.04 7.69 7.96 2qp3A1 SER 222 H -0.10 0.03 -0.29 -0.55 8.46 7.55 2qp3A1 SER 222 HA -0.10 0.05 0.29 -0.75 4.49 3.97 2qp3A1 SER 222 HB2 -0.04 0.02 -0.18 -0.04 3.95 3.71 2qp3A1 SER 222 HB3 -0.04 0.08 -0.02 -0.04 3.93 3.91 2qp3A1 MET 223 H -0.39 0.22 -0.67 -0.55 8.47 7.08 2qp3A1 MET 223 HA -0.26 0.07 0.41 -0.75 4.52 3.98 2qp3A1 MET 223 HB2 -0.84 0.21 0.12 -0.04 2.15 1.60 2qp3A1 MET 223 HB3 -0.57 -0.15 -0.05 -0.04 2.03 1.23 2qp3A1 MET 223 HG2 -0.82 0.22 -0.25 -0.04 2.63 1.74 2qp3A1 MET 223 HG3 -2.45 -0.15 -0.10 -0.04 2.56 -0.18 2qp3A1 MET 223 HE3 -0.04 0.06 -0.27 -0.04 2.10 1.81 2qp3A1 LYS 224 H -0.48 0.33 -0.17 -0.55 8.42 7.55 2qp3A1 LYS 224 HA -0.27 -0.07 0.36 -0.75 4.32 3.59 2qp3A1 LYS 224 HB2 -0.26 0.16 0.25 -0.04 1.87 1.98 2qp3A1 LYS 224 HB3 -0.22 -0.08 0.10 -0.04 1.79 1.55 2qp3A1 LYS 224 HG2 -0.69 -0.07 0.04 -0.04 1.46 0.70 2qp3A1 LYS 224 HG3 -0.78 0.16 0.15 -0.04 1.46 0.95 2qp3A1 LYS 224 HD2 -0.23 -0.02 0.02 -0.04 1.69 1.43 2qp3A1 LYS 224 HD3 -0.44 -0.07 -0.02 -0.04 1.68 1.11 2qp3A1 LYS 224 HE2 -0.19 0.08 0.07 -0.04 2.99 2.91 2qp3A1 LYS 224 HE3 -0.12 -0.05 0.02 -0.04 2.99 2.81 2qp3A1 GLU 225 H -0.13 0.36 0.37 -0.55 8.60 8.66 2qp3A1 GLU 225 HA -0.08 0.17 0.65 -0.75 4.29 4.28 2qp3A1 GLU 225 HB2 -0.09 0.21 0.00 -0.04 2.09 2.17 2qp3A1 GLU 225 HB3 -0.05 -0.08 0.08 -0.04 1.99 1.90 2qp3A1 GLU 225 HG2 -0.05 -0.00 -0.01 -0.04 2.34 2.24 2qp3A1 GLU 225 HG3 -0.05 -0.08 0.03 -0.04 2.34 2.20 2qp3A1 TYR 238 HA 0.10 -0.07 0.19 -0.75 4.56 4.02 2qp3A1 TYR 238 HB2 0.02 -0.01 0.05 -0.04 3.06 3.09 2qp3A1 TYR 238 HB3 0.03 0.00 -0.03 -0.04 2.98 2.94 2qp3A1 TYR 238 HD2 0.11 0.02 0.02 -0.04 7.15 7.26 2qp3A1 TYR 238 HE2 0.02 -0.02 -0.00 -0.04 6.85 6.82 2qp3A1 VAL 239 H 0.08 0.20 0.12 -0.55 8.24 8.09 2qp3A1 VAL 239 HA -0.02 0.19 0.97 -0.75 4.13 4.52 2qp3A1 VAL 239 HB 0.02 -0.06 0.09 -0.04 2.12 2.13 2qp3A1 VAL 239 HG13 -0.03 0.02 -0.31 -0.04 0.97 0.61 2qp3A1 VAL 239 HG23 0.01 -0.01 -0.09 -0.04 0.95 0.82 2qp3A1 VAL 240 H -0.06 0.46 -0.01 -0.55 8.24 8.08 2qp3A1 VAL 240 HA -0.06 0.01 0.35 -0.75 4.13 3.68 2qp3A1 VAL 240 HB -0.06 -0.01 0.18 -0.04 2.12 2.20 2qp3A1 VAL 240 HG13 -0.04 -0.00 -0.03 -0.04 0.97 0.85 2qp3A1 VAL 240 HG23 -0.08 0.01 -0.21 -0.04 0.95 0.63 2qp3A1 ASP 241 H -0.04 0.14 0.09 -0.55 8.40 8.04 2qp3A1 ASP 241 HA -0.02 0.10 0.66 -0.75 4.63 4.62 2qp3A1 ASP 241 HB2 -0.01 -0.11 0.05 -0.04 2.71 2.59 2qp3A1 ASP 241 HB3 -0.02 0.03 0.08 -0.04 2.70 2.75 2qp3A1 LYS 242 H -0.01 0.11 0.16 -0.55 8.42 8.12 2qp3A1 LYS 242 HA -0.00 0.15 0.38 -0.75 4.32 4.10 2qp3A1 LYS 242 HB2 -0.00 -0.07 0.10 -0.04 1.87 1.85 2qp3A1 LYS 242 HB3 0.00 0.04 0.06 -0.04 1.79 1.86 2qp3A1 LYS 242 HG2 0.00 -0.01 0.06 -0.04 1.46 1.47 2qp3A1 LYS 242 HG3 0.00 0.10 0.04 -0.04 1.46 1.56 2qp3A1 LYS 242 HD2 -0.01 -0.05 0.24 -0.04 1.69 1.83 2qp3A1 LYS 242 HD3 -0.00 -0.07 0.13 -0.04 1.68 1.70 2qp3A1 LYS 242 HE2 -0.01 -0.02 0.08 -0.04 2.99 3.00 2qp3A1 LYS 242 HE3 -0.00 -0.04 0.06 -0.04 2.99 2.97 2qp3A1 THR 243 H -0.01 -0.02 -0.09 -0.55 8.28 7.61 2qp3A1 THR 243 HA -0.01 0.06 0.26 -0.75 4.39 3.95 2qp3A1 THR 243 HB -0.02 0.08 0.02 -0.04 4.32 4.36 2qp3A1 THR 243 HG23 -0.01 -0.00 0.05 -0.04 1.22 1.22 2qp3A1 GLN 244 H -0.01 0.04 -0.05 -0.55 8.47 7.90 2qp3A1 GLN 244 HA -0.03 -0.02 0.18 -0.75 4.36 3.73 2qp3A1 GLN 244 HB2 -0.01 0.12 -0.05 -0.04 2.15 2.17 2qp3A1 GLN 244 HB3 -0.00 0.02 0.04 -0.04 2.02 2.03 2qp3A1 GLN 244 HG2 -0.03 -0.02 -0.04 -0.04 2.40 2.27 2qp3A1 GLN 244 HG3 -0.00 -0.10 0.03 -0.04 2.39 2.27 2qp3A1 GLN 244 HE21 0.25 -0.02 0.00 -0.04 6.97 7.16 2qp3A1 GLN 244 HE22 0.00 -0.01 -0.02 -0.04 7.69 7.61 2qp3A1 LEU 245 H -0.01 0.14 -0.89 -0.55 8.37 7.07 2qp3A1 LEU 245 HA 0.01 0.06 0.17 -0.75 4.35 3.84 2qp3A1 LEU 245 HB2 0.00 0.08 -0.36 -0.04 1.64 1.32 2qp3A1 LEU 245 HB3 0.03 -0.07 0.16 -0.04 1.64 1.72 2qp3A1 LEU 245 HG 0.01 -0.07 0.03 -0.04 1.64 1.57 2qp3A1 LEU 245 HD13 0.05 -0.03 0.08 -0.04 0.93 0.99 2qp3A1 LEU 245 HD23 0.01 0.03 0.12 -0.04 0.89 1.00 2qp3A1 SER 251 HA -0.15 -0.02 0.09 -0.75 4.49 3.65 2qp3A1 SER 251 HB2 -0.05 -0.00 0.08 -0.04 3.95 3.94 2qp3A1 SER 251 HB3 -0.03 -0.09 0.12 -0.04 3.93 3.90 2qp3A1 GLY 252 H -0.02 0.14 0.06 -0.55 8.43 8.07 2qp3A1 GLY 252 HA2 -0.04 0.00 0.32 -0.51 4.01 3.78 2qp3A1 GLY 252 HA3 -0.06 0.16 0.87 -0.51 4.01 4.48 2qp3A1 ASP 253 H -0.05 0.34 0.20 -0.55 8.40 8.35 2qp3A1 ASP 253 HA 0.04 0.17 0.53 -0.75 4.63 4.62 2qp3A1 ASP 253 HB2 -0.08 0.17 -0.24 -0.04 2.71 2.52 2qp3A1 ASP 253 HB3 -0.24 -0.09 -0.03 -0.04 2.70 2.30 2qp3A1 TRP 254 H 0.17 0.18 0.11 -0.55 7.97 7.88 2qp3A1 TRP 254 HA 0.10 0.17 0.38 -0.75 4.62 4.51 2qp3A1 TRP 254 HB2 -0.51 0.06 0.01 -0.04 3.23 2.75 2qp3A1 TRP 254 HB3 -0.22 0.03 -0.14 -0.04 3.23 2.85 2qp3A1 TRP 254 HD1 -0.20 0.01 0.04 -0.04 7.22 7.03 2qp3A1 TRP 254 HE1 -0.16 0.04 0.01 -0.04 10.20 10.05 2qp3A1 TRP 254 HE3 -1.26 -0.05 -0.21 -0.04 7.59 6.03 2qp3A1 TRP 254 HZ2 -0.11 0.04 -0.01 -0.04 7.44 7.31 2qp3A1 TRP 254 HZ3 -0.21 -0.01 -0.07 -0.04 7.13 6.80 2qp3A1 TRP 254 HH2 -0.09 0.04 -0.03 -0.04 7.19 7.07 2qp3A1 LYS 255 H -0.91 0.07 -0.29 -0.55 8.42 6.73 2qp3A1 LYS 255 HA -0.82 0.11 0.45 -0.75 4.32 3.31 2qp3A1 LYS 255 HB2 -0.57 0.01 -0.02 -0.04 1.87 1.25 2qp3A1 LYS 255 HB3 -0.55 0.07 0.06 -0.04 1.79 1.33 2qp3A1 LYS 255 HG2 -2.06 0.02 -0.00 -0.04 1.46 -0.62 2qp3A1 LYS 255 HG3 -1.81 -0.11 0.02 -0.04 1.46 -0.48 2qp3A1 LYS 255 HD2 -0.44 0.02 -0.01 -0.04 1.69 1.21 2qp3A1 LYS 255 HD3 -0.44 0.04 -0.00 -0.04 1.68 1.24 2qp3A1 LYS 255 HE2 -0.40 0.00 -0.01 -0.04 2.99 2.55 2qp3A1 LYS 255 HE3 -0.28 -0.04 0.00 -0.04 2.99 2.64 2qp3A1 ASN 256 H -0.25 0.37 -0.43 -0.55 8.53 7.68 2qp3A1 ASN 256 HA -0.29 0.14 0.63 -0.75 4.76 4.49 2qp3A1 ASN 256 HB2 -0.42 0.13 0.15 -0.04 2.88 2.70 2qp3A1 ASN 256 HB3 -0.47 0.05 0.19 -0.04 2.79 2.51 2qp3A1 ASN 256 HD21 -0.17 -0.02 -0.03 -0.04 7.03 6.77 2qp3A1 ASN 256 HD22 -0.21 0.06 0.01 -0.04 7.74 7.56 2qp3A1 HIS 257 H -0.04 0.22 -0.38 -0.55 8.41 7.66 2qp3A1 HIS 257 HA -0.37 0.20 0.91 -0.75 4.63 4.62 2qp3A1 HIS 257 HB2 -0.08 -0.02 0.08 -0.04 3.26 3.19 2qp3A1 HIS 257 HB3 -1.35 -0.06 0.01 -0.04 3.20 1.75 2qp3A1 HIS 257 HD2 -0.29 -0.06 0.01 -0.04 6.97 6.59 2qp3A1 HIS 257 HE1 -0.11 0.22 -0.08 -0.04 7.75 7.73 2qp3A1 PHE 258 H 0.53 0.48 0.21 -0.55 8.34 9.00 2qp3A1 PHE 258 HA 0.34 -0.02 0.49 -0.75 4.62 4.68 2qp3A1 PHE 258 HB2 0.43 0.04 0.10 -0.04 3.15 3.69 2qp3A1 PHE 258 HB3 0.31 0.04 -0.09 -0.04 3.06 3.28 2qp3A1 PHE 258 HD2 0.42 -0.03 -0.11 -0.04 7.28 7.52 2qp3A1 PHE 258 HE2 -0.06 0.04 -0.02 -0.04 7.38 7.31 2qp3A1 PHE 258 HZ -0.64 0.01 0.00 -0.04 7.32 6.66 2qp3A1 THR 259 H 0.08 0.02 0.21 -0.55 8.28 8.04 2qp3A1 THR 259 HA 0.05 0.26 0.59 -0.75 4.39 4.53 2qp3A1 THR 259 HB 0.02 -0.04 0.19 -0.04 4.32 4.45 2qp3A1 THR 259 HG23 0.03 0.07 0.06 -0.04 1.22 1.34 2qp3A1 VAL 260 H 0.04 0.23 0.17 -0.55 8.24 8.13 2qp3A1 VAL 260 HA 0.12 0.14 0.41 -0.75 4.13 4.05 2qp3A1 VAL 260 HB 0.04 -0.01 0.14 -0.04 2.12 2.25 2qp3A1 VAL 260 HG13 0.06 0.02 -0.04 -0.04 0.97 0.97 2qp3A1 VAL 260 HG23 0.02 0.03 0.07 -0.04 0.95 1.04 2qp3A1 ALA 261 H 0.05 0.08 -0.17 -0.55 8.40 7.82 2qp3A1 ALA 261 HA 0.07 0.13 0.43 -0.75 4.34 4.21 2qp3A1 ALA 261 HB3 0.02 0.03 0.06 -0.04 1.41 1.48 2qp3A1 GLN 262 H 0.00 0.04 -0.22 -0.55 8.47 7.74 2qp3A1 GLN 262 HA -0.06 0.10 0.40 -0.75 4.36 4.05 2qp3A1 GLN 262 HB2 -0.17 -0.03 0.17 -0.04 2.15 2.08 2qp3A1 GLN 262 HB3 -1.05 0.07 0.03 -0.04 2.02 1.02 2qp3A1 GLN 262 HG2 -1.16 0.08 0.04 -0.04 2.40 1.32 2qp3A1 GLN 262 HG3 -0.32 -0.06 0.06 -0.04 2.39 2.03 2qp3A1 GLN 262 HE21 -0.23 0.02 -0.02 -0.04 6.97 6.70 2qp3A1 GLN 262 HE22 -0.69 0.03 0.02 -0.04 7.69 7.01 2qp3A1 ALA 263 H 0.28 0.42 -0.40 -0.55 8.40 8.15 2qp3A1 ALA 263 HA 0.60 0.04 0.47 -0.75 4.34 4.68 2qp3A1 ALA 263 HB3 0.43 0.04 0.05 -0.04 1.41 1.89 2qp3A1 GLU 264 H 0.19 0.51 -0.04 -0.55 8.60 8.72 2qp3A1 GLU 264 HA 0.16 0.04 0.47 -0.75 4.29 4.21 2qp3A1 GLU 264 HB2 0.11 0.05 0.17 -0.04 2.09 2.38 2qp3A1 GLU 264 HB3 0.10 -0.01 0.07 -0.04 1.99 2.11 2qp3A1 GLU 264 HG2 0.11 -0.04 0.05 -0.04 2.34 2.43 2qp3A1 GLU 264 HG3 0.12 0.41 0.15 -0.04 2.34 2.98 2qp3A1 ASP 265 H 0.19 0.56 -0.15 -0.55 8.40 8.45 2qp3A1 ASP 265 HA 0.12 0.03 0.41 -0.75 4.63 4.44 2qp3A1 ASP 265 HB2 0.25 0.05 0.11 -0.04 2.71 3.08 2qp3A1 ASP 265 HB3 0.17 -0.02 0.03 -0.04 2.70 2.84 2qp3A1 PHE 266 H 0.44 0.36 -0.34 -0.55 8.34 8.24 2qp3A1 PHE 266 HA 0.17 0.06 0.52 -0.75 4.62 4.62 2qp3A1 PHE 266 HB2 0.44 0.11 0.13 -0.04 3.15 3.80 2qp3A1 PHE 266 HB3 0.26 0.03 0.13 -0.04 3.06 3.44 2qp3A1 PHE 266 HD2 -0.05 0.04 -0.11 -0.04 7.28 7.12 2qp3A1 PHE 266 HE2 -0.06 0.01 -0.06 -0.04 7.38 7.23 2qp3A1 PHE 266 HZ -0.19 -0.02 -0.08 -0.04 7.32 6.99 2qp3A1 ASP 267 H 0.28 0.63 -0.04 -0.55 8.40 8.73 2qp3A1 ASP 267 HA 0.17 0.01 0.41 -0.75 4.63 4.46 2qp3A1 ASP 267 HB2 0.15 0.08 0.20 -0.04 2.71 3.10 2qp3A1 ASP 267 HB3 0.13 -0.02 0.03 -0.04 2.70 2.80 2qp3A1 LYS 268 H 0.11 0.49 -0.14 -0.55 8.42 8.33 2qp3A1 LYS 268 HA 0.05 -0.00 0.35 -0.75 4.32 3.97 2qp3A1 LYS 268 HB2 0.06 0.01 0.12 -0.04 1.87 2.02 2qp3A1 LYS 268 HB3 0.05 0.14 0.16 -0.04 1.79 2.10 2qp3A1 LYS 268 HG2 0.02 -0.01 -0.02 -0.04 1.46 1.41 2qp3A1 LYS 268 HG3 -0.00 0.00 -0.29 -0.04 1.46 1.12 2qp3A1 LYS 268 HD2 0.01 -0.00 -0.01 -0.04 1.69 1.64 2qp3A1 LYS 268 HD3 0.03 -0.02 0.04 -0.04 1.68 1.69 2qp3A1 LYS 268 HE2 0.03 -0.01 -0.01 -0.04 2.99 2.96 2qp3A1 LYS 268 HE3 0.03 -0.01 0.00 -0.04 2.99 2.97 2qp3A1 LEU 269 H -0.03 0.49 -0.16 -0.55 8.37 8.13 2qp3A1 LEU 269 HA -0.15 -0.02 0.42 -0.75 4.35 3.85 2qp3A1 LEU 269 HB2 -0.11 0.03 0.17 -0.04 1.64 1.68 2qp3A1 LEU 269 HB3 -0.28 0.07 0.21 -0.04 1.64 1.59 2qp3A1 LEU 269 HG -0.60 -0.04 -0.16 -0.04 1.64 0.80 2qp3A1 LEU 269 HD13 -0.24 -0.01 0.08 -0.04 0.93 0.72 2qp3A1 LEU 269 HD23 -0.10 0.02 0.06 -0.04 0.89 0.83 2qp3A1 PHE 270 H -0.11 0.74 -0.08 -0.55 8.34 8.33 2qp3A1 PHE 270 HA -0.10 -0.05 0.41 -0.75 4.62 4.14 2qp3A1 PHE 270 HB2 -0.34 -0.04 0.11 -0.04 3.15 2.84 2qp3A1 PHE 270 HB3 -0.03 0.10 0.19 -0.04 3.06 3.27 2qp3A1 PHE 270 HD2 0.13 -0.01 -0.16 -0.04 7.28 7.20 2qp3A1 PHE 270 HE2 0.22 0.01 -0.04 -0.04 7.38 7.53 2qp3A1 PHE 270 HZ -0.46 0.03 -0.04 -0.04 7.32 6.81 2qp3A1 GLN 271 H 0.16 0.83 -0.02 -0.55 8.47 8.89 2qp3A1 GLN 271 HA 0.16 -0.01 0.34 -0.75 4.36 4.10 2qp3A1 GLN 271 HB2 0.14 -0.08 0.07 -0.04 2.15 2.23 2qp3A1 GLN 271 HB3 0.07 0.15 0.21 -0.04 2.02 2.41 2qp3A1 GLN 271 HG2 0.05 -0.07 -0.03 -0.04 2.40 2.31 2qp3A1 GLN 271 HG3 0.03 0.05 -0.36 -0.04 2.39 2.06 2qp3A1 GLN 271 HE21 0.09 -0.02 0.00 -0.04 6.97 7.00 2qp3A1 GLN 271 HE22 0.10 -0.02 -0.00 -0.04 7.69 7.73 2qp3A1 GLU 272 H -0.05 0.63 -0.04 -0.55 8.60 8.59 2qp3A1 GLU 272 HA -0.04 -0.02 0.42 -0.75 4.29 3.89 2qp3A1 GLU 272 HB2 -0.14 0.05 0.22 -0.04 2.09 2.19 2qp3A1 GLU 272 HB3 -0.09 -0.05 0.05 -0.04 1.99 1.86 2qp3A1 GLU 272 HG2 -0.03 -0.06 0.04 -0.04 2.34 2.25 2qp3A1 GLU 272 HG3 -0.03 0.20 0.11 -0.04 2.34 2.58 2qp3A1 LYS 273 H -0.26 0.67 0.07 -0.55 8.42 8.34 2qp3A1 LYS 273 HA -0.20 -0.02 0.40 -0.75 4.32 3.74 2qp3A1 LYS 273 HB2 -0.62 0.10 0.17 -0.04 1.87 1.49 2qp3A1 LYS 273 HB3 -0.39 -0.10 0.00 -0.04 1.79 1.26 2qp3A1 LYS 273 HG2 -0.49 0.02 0.14 -0.04 1.46 1.08 2qp3A1 LYS 273 HG3 -1.41 -0.06 0.04 -0.04 1.46 -0.01 2qp3A1 LYS 273 HD2 -0.38 -0.08 0.04 -0.04 1.69 1.22 2qp3A1 LYS 273 HD3 -0.29 0.01 0.06 -0.04 1.68 1.42 2qp3A1 LYS 273 HE2 -0.28 0.00 0.04 -0.04 2.99 2.71 2qp3A1 LYS 273 HE3 -0.37 0.03 0.05 -0.04 2.99 2.66 2qp3A1 MET 274 H -0.24 0.71 -0.15 -0.55 8.47 8.24 2qp3A1 MET 274 HA 0.09 0.13 0.82 -0.75 4.52 4.81 2qp3A1 MET 274 HB2 -0.34 0.07 0.01 -0.04 2.15 1.85 2qp3A1 MET 274 HB3 -0.06 -0.04 0.11 -0.04 2.03 2.00 2qp3A1 MET 274 HG2 -1.12 0.13 0.06 -0.04 2.63 1.66 2qp3A1 MET 274 HG3 -1.40 -0.07 -0.02 -0.04 2.56 1.04 2qp3A1 MET 274 HE3 -0.11 -0.00 -0.04 -0.04 2.10 1.90 2qp3A1 ALA 275 H -0.01 0.43 -0.29 -0.55 8.40 7.98 2qp3A1 ALA 275 HA 0.04 0.01 0.41 -0.75 4.34 4.06 2qp3A1 ALA 275 HB3 0.01 0.01 0.14 -0.04 1.41 1.53 2qp3A1 ASP 276 H 0.07 0.15 -0.21 -0.55 8.40 7.86 2qp3A1 ASP 276 HA 0.03 0.05 0.43 -0.75 4.63 4.39 2qp3A1 ASP 276 HB2 0.05 -0.01 0.15 -0.04 2.71 2.85 2qp3A1 ASP 276 HB3 0.04 -0.04 0.07 -0.04 2.70 2.73 2qp3A1 LEU 277 H 0.06 0.57 -0.61 -0.55 8.37 7.84 2qp3A1 LEU 277 HA -0.01 0.16 0.87 -0.75 4.35 4.62 2qp3A1 LEU 277 HB2 0.09 0.07 0.01 -0.04 1.64 1.77 2qp3A1 LEU 277 HB3 0.03 0.01 -0.05 -0.04 1.64 1.58 2qp3A1 LEU 277 HG -0.14 -0.05 -0.32 -0.04 1.64 1.09 2qp3A1 LEU 277 HD13 -0.37 -0.02 -0.08 -0.04 0.93 0.43 2qp3A1 LEU 277 HD23 -0.09 0.02 0.02 -0.04 0.89 0.80 2qp3A1 PRO 278 HA -0.01 0.00 0.45 -0.51 4.44 4.37 2qp3A1 PRO 278 HB2 -0.13 -0.03 0.09 -0.04 2.28 2.17 2qp3A1 PRO 278 HB3 -0.06 -0.01 0.07 -0.04 2.02 1.98 2qp3A1 PRO 278 HG2 -0.07 0.06 0.07 -0.04 2.03 2.05 2qp3A1 PRO 278 HG3 -0.04 0.05 0.06 -0.04 2.03 2.07 2qp3A1 PRO 278 HD2 -0.09 0.10 0.17 -0.04 3.68 3.81 2qp3A1 PRO 278 HD3 -0.04 0.22 0.20 -0.04 3.65 3.99 2qp3A1 ARG 279 H 0.04 0.14 0.24 -0.55 8.46 8.33 2qp3A1 ARG 279 HA 0.25 0.17 0.41 -0.75 4.34 4.42 2qp3A1 ARG 279 HB2 0.12 0.09 0.16 -0.04 1.90 2.23 2qp3A1 ARG 279 HB3 0.06 -0.06 0.11 -0.04 1.80 1.87 2qp3A1 ARG 279 HG2 0.11 -0.04 0.01 -0.04 1.67 1.71 2qp3A1 ARG 279 HG3 0.09 0.03 -0.11 -0.04 1.67 1.64 2qp3A1 ARG 279 HD2 0.38 0.08 0.09 -0.04 3.22 3.73 2qp3A1 ARG 279 HD3 0.29 -0.03 0.01 -0.04 3.22 3.45 2qp3A1 GLU 280 H -0.04 0.06 -0.21 -0.55 8.60 7.86 2qp3A1 GLU 280 HA -0.07 0.19 0.40 -0.75 4.29 4.05 2qp3A1 GLU 280 HB2 -0.06 -0.01 -0.01 -0.04 2.09 1.97 2qp3A1 GLU 280 HB3 -0.06 0.03 0.06 -0.04 1.99 1.97 2qp3A1 GLU 280 HG2 -0.03 0.04 -0.02 -0.04 2.34 2.30 2qp3A1 GLU 280 HG3 -0.01 -0.07 -0.04 -0.04 2.34 2.17 2qp3A1 LEU 281 H -0.28 0.39 -0.70 -0.55 8.37 7.24 2qp3A1 LEU 281 HA -0.29 0.04 0.38 -0.75 4.35 3.72 2qp3A1 LEU 281 HB2 -0.60 0.46 0.08 -0.04 1.64 1.54 2qp3A1 LEU 281 HB3 -1.25 -0.05 -0.13 -0.04 1.64 0.17 2qp3A1 LEU 281 HG -0.24 -0.05 0.01 -0.04 1.64 1.32 2qp3A1 LEU 281 HD13 -0.29 -0.00 -0.02 -0.04 0.93 0.59 2qp3A1 LEU 281 HD23 -0.19 -0.01 0.03 -0.04 0.89 0.68 2qp3A1 PHE 282 H -0.34 0.42 -0.35 -0.55 8.34 7.52 2qp3A1 PHE 282 HA -0.65 0.11 0.83 -0.75 4.62 4.16 2qp3A1 PHE 282 HB2 -0.45 0.12 0.14 -0.04 3.15 2.93 2qp3A1 PHE 282 HB3 -1.67 -0.15 -0.02 -0.04 3.06 1.17 2qp3A1 PHE 282 HD2 0.17 0.01 -0.05 -0.04 7.28 7.37 2qp3A1 PHE 282 HE2 0.13 0.05 -0.12 -0.04 7.38 7.40 2qp3A1 PHE 282 HZ -0.00 0.01 -0.10 -0.04 7.32 7.19 2qp3A1 PRO 283 HA -0.13 0.12 0.35 -0.51 4.44 4.27 2qp3A1 PRO 283 HB2 0.08 -0.05 -0.03 -0.04 2.28 2.23 2qp3A1 PRO 283 HB3 -0.02 0.08 0.07 -0.04 2.02 2.11 2qp3A1 PRO 283 HG2 0.26 -0.18 0.11 -0.04 2.03 2.18 2qp3A1 PRO 283 HG3 0.15 -0.07 0.08 -0.04 2.03 2.15 2qp3A1 PRO 283 HD2 -0.51 0.08 0.22 -0.04 3.68 3.43 2qp3A1 PRO 283 HD3 -0.15 0.30 0.09 -0.04 3.65 3.84 2qp3A1 TRP 284 H -0.17 -0.03 -0.11 -0.55 7.97 7.11 2qp3A1 TRP 284 HA 0.05 0.01 0.38 -0.75 4.62 4.30 2qp3A1 TRP 284 HB2 -0.03 -0.00 0.09 -0.04 3.23 3.25 2qp3A1 TRP 284 HB3 0.03 -0.12 0.13 -0.04 3.23 3.23 2qp3A1 TRP 284 HD1 -0.26 0.36 -0.28 -0.04 7.22 7.00 2qp3A1 TRP 284 HE1 -0.61 0.05 -0.04 -0.04 10.20 9.56 2qp3A1 TRP 284 HE3 0.13 -0.09 0.04 -0.04 7.59 7.63 2qp3A1 TRP 284 HZ2 0.33 0.07 -0.04 -0.04 7.44 7.76 2qp3A1 TRP 284 HZ3 0.28 -0.01 -0.17 -0.04 7.13 7.18 2qp3A1 TRP 284 HH2 0.63 0.07 -0.15 -0.04 7.19 7.69 2qp3A1 GLU 285 H 0.25 -0.01 0.08 -0.55 8.60 8.37 2qp3A1 GLU 285 HA 0.07 0.24 0.29 -0.75 4.29 4.14 2qp3A1 GLU 285 HB2 0.18 -0.08 0.10 -0.04 2.09 2.26 2qp3A1 GLU 285 HB3 0.12 0.03 0.07 -0.04 1.99 2.18 2qp3A1 GLU 285 HG2 0.12 -0.02 0.05 -0.04 2.34 2.45 2qp3A1 GLU 285 HG3 0.11 -0.02 0.04 -0.04 2.34 2.43