============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 8 0.840 35.155 10.898 -29.759 -99.200 -91.000 PHE 15 1.000 27.326 23.887 -18.397 -99.200 -91.000 TYR 16 0.840 24.374 28.825 -25.488 -99.200 -91.000 HIS 17 0.900 15.861 26.891 -20.721 -99.200 -91.000 TYR 30 0.840 -11.856 4.518 -26.712 -99.200 -91.000 PHE 31 1.000 -12.652 5.237 -33.378 -99.200 -91.000 TYR 49 0.840 -3.244 3.262 -21.495 -99.200 -91.000 TYR 51 0.840 6.453 3.113 -26.981 -99.200 -91.000 PHE 54 1.000 7.457 15.040 -27.240 -99.200 -91.000 PHE 64 1.000 23.640 29.682 -31.317 -99.200 -91.000 TYR 72 0.840 35.010 26.781 -33.015 -99.200 -91.000 TRP 81 1.040 24.309 22.787 -29.454 -99.200 -91.000 TRP6 81 1.020 25.064 24.363 -27.917 -99.200 -91.000 HIS 101 0.900 -13.929 -5.009 -30.105 -99.200 -91.000 PHE 103 1.000 -19.916 -6.043 -31.974 -99.200 -91.000 TYR 104 0.840 -12.088 -8.519 -24.072 -99.200 -91.000 HIS 114 0.900 -23.871 -18.220 -7.773 -99.200 -91.000 TYR 132 0.840 -5.479 -0.845 -22.685 -99.200 -91.000 HIS 149 0.900 6.391 -5.866 -33.468 -99.200 -91.000 TRP 150 1.040 7.064 -11.829 -28.879 -99.200 -91.000 TRP6 150 1.020 8.722 -13.388 -29.274 -99.200 -91.000 TYR 186 0.840 -5.660 -7.361 -23.034 -99.200 -91.000 PHE 191 1.000 -2.287 -7.167 -29.188 -99.200 -91.000 TYR 212 0.840 8.915 -3.490 -22.140 -99.200 -91.000 TYR 215 0.840 13.621 -0.471 -21.412 -99.200 -91.000 TYR 223 0.840 29.919 3.282 -32.929 -99.200 -91.000 PHE 228 1.000 22.164 10.811 -24.861 -99.200 -91.000 PHE 229 1.000 17.635 10.477 -17.990 -99.200 -91.000 PHE 237 1.000 -5.384 -5.262 -9.922 -99.200 -91.000 HIS 240 0.900 -13.363 -8.489 -13.207 -99.200 -91.000 PHE 241 1.000 -8.227 -14.413 -12.307 -99.200 -91.000 TRP 242 1.040 -13.485 -12.133 -18.375 -99.200 -91.000 TRP6 242 1.020 -12.852 -9.928 -18.955 -99.200 -91.000 TYR 257 0.840 -9.230 -34.167 -20.143 -99.200 -91.000 TYR 272 0.840 -8.239 -21.009 -18.576 -99.200 -91.000 PHE 288 1.000 7.323 11.135 -17.369 -99.200 -91.000 TYR 292 0.840 13.911 13.001 -14.402 -99.200 -91.000 TRP 293 1.040 20.251 17.921 -12.192 -99.200 -91.000 TRP6 293 1.020 19.628 19.907 -13.284 -99.200 -91.000 HIS 295 0.900 25.576 11.214 -13.016 -99.200 -91.000 HIS 300 0.900 31.831 2.463 -25.246 -99.200 -91.000 TRP 306 1.040 27.720 11.892 -31.978 -99.200 -91.000 TRP6 306 1.020 29.676 13.188 -31.940 -99.200 -91.000 HIS 307 0.900 24.273 13.554 -38.009 -99.200 -91.000 PHE 311 1.000 15.622 11.009 -33.046 -99.200 -91.000 TYR 337 0.840 -31.724 11.154 -20.788 -99.200 -91.000 PHE 342 1.000 -29.286 14.995 -24.551 -99.200 -91.000 TYR 345 0.840 -19.483 13.756 -30.907 -99.200 -91.000 HIS 348 0.900 -5.769 11.173 -23.196 -99.200 -91.000 TYR 352 0.840 4.019 14.534 -23.366 -99.200 -91.000 PHE 356 1.000 15.290 18.964 -24.128 -99.200 -91.000 PHE 358 1.000 20.275 20.648 -25.499 -99.200 -91.000 TYR 372 0.840 35.879 6.607 -32.291 -99.200 -91.000 TRP 384 1.040 30.832 18.752 -37.720 -99.200 -91.000 TRP6 384 1.020 32.229 17.269 -36.496 -99.200 -91.000 TYR 390 0.840 17.314 8.696 -37.863 -99.200 -91.000 PHE 395 1.000 11.266 9.897 -35.468 -99.200 -91.000 TRP 396 1.040 5.059 17.011 -31.261 -99.200 -91.000 TRP6 396 1.020 3.270 16.600 -29.768 -99.200 -91.000 PHE 404 1.000 20.123 25.276 -27.944 -99.200 -91.000 TYR 411 0.840 14.783 30.733 -20.317 -99.200 -91.000 PHE 417 1.000 23.556 23.622 -15.229 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r5iE1 ALA 20 HA -0.02 -0.08 0.22 -0.75 4.34 3.70 2r5iE1 ALA 20 HB3 0.01 0.00 -0.02 -0.04 1.41 1.36 2r5iE1 VAL 21 H -0.09 0.11 0.11 -0.55 8.24 7.82 2r5iE1 VAL 21 HA 0.13 0.06 0.41 -0.75 4.13 3.97 2r5iE1 VAL 21 HB -0.29 0.01 0.09 -0.04 2.12 1.89 2r5iE1 VAL 21 HG13 -0.15 0.03 -0.17 -0.04 0.97 0.64 2r5iE1 VAL 21 HG23 -0.47 -0.02 -0.08 -0.04 0.95 0.33 2r5iE1 VAL 22 H 0.29 0.15 0.15 -0.55 8.24 8.27 2r5iE1 VAL 22 HA -0.17 0.26 1.27 -0.75 4.13 4.74 2r5iE1 VAL 22 HB -0.11 -0.03 -0.06 -0.04 2.12 1.89 2r5iE1 VAL 22 HG13 0.02 0.02 -0.01 -0.04 0.97 0.96 2r5iE1 VAL 22 HG23 -0.07 0.03 -0.22 -0.04 0.95 0.65 2r5iE1 ASN 23 H 0.12 0.15 0.17 -0.55 8.53 8.43 2r5iE1 ASN 23 HA 0.28 0.21 0.58 -0.75 4.76 5.07 2r5iE1 ASN 23 HB2 0.15 0.03 0.22 -0.04 2.88 3.24 2r5iE1 ASN 23 HB3 0.11 -0.14 0.06 -0.04 2.79 2.78 2r5iE1 ASN 23 HD21 0.12 0.13 0.03 -0.04 7.03 7.27 2r5iE1 ASN 23 HD22 0.25 -0.04 0.08 -0.04 7.74 7.99 2r5iE1 THR 24 H 0.17 0.51 0.39 -0.55 8.28 8.79 2r5iE1 THR 24 HA -0.31 0.09 0.34 -0.75 4.39 3.76 2r5iE1 THR 24 HB -0.19 0.00 0.11 -0.04 4.32 4.20 2r5iE1 THR 24 HG23 0.27 0.08 0.15 -0.04 1.22 1.67 2r5iE1 ASP 25 H 0.03 0.07 -0.40 -0.55 8.40 7.56 2r5iE1 ASP 25 HA -0.03 0.19 0.45 -0.75 4.63 4.48 2r5iE1 ASP 25 HB2 0.04 -0.01 -0.04 -0.04 2.71 2.66 2r5iE1 ASP 25 HB3 0.02 0.04 0.12 -0.04 2.70 2.83 2r5iE1 ASP 26 H 0.06 0.52 -0.46 -0.55 8.40 7.97 2r5iE1 ASP 26 HA 0.06 0.15 0.75 -0.75 4.63 4.83 2r5iE1 ASP 26 HB2 0.15 0.19 0.04 -0.04 2.71 3.04 2r5iE1 ASP 26 HB3 0.09 -0.06 0.02 -0.04 2.70 2.71 2r5iE1 TYR 27 H -0.09 0.37 -0.17 -0.55 8.29 7.84 2r5iE1 TYR 27 HA 0.04 0.15 0.87 -0.75 4.56 4.86 2r5iE1 TYR 27 HB2 0.07 -0.06 0.15 -0.04 3.06 3.18 2r5iE1 TYR 27 HB3 -0.02 0.00 -0.19 -0.04 2.98 2.73 2r5iE1 TYR 27 HD2 0.10 -0.03 -0.11 -0.04 7.15 7.07 2r5iE1 TYR 27 HE2 0.32 0.10 -0.12 -0.04 6.85 7.10 2r5iE1 VAL 28 H -0.10 0.30 -0.01 -0.55 8.24 7.88 2r5iE1 VAL 28 HA 0.01 0.20 0.98 -0.75 4.13 4.57 2r5iE1 VAL 28 HB -0.18 0.09 0.10 -0.04 2.12 2.09 2r5iE1 VAL 28 HG13 -0.09 -0.01 -0.30 -0.04 0.97 0.52 2r5iE1 VAL 28 HG23 -0.25 -0.04 -0.15 -0.04 0.95 0.46 2r5iE1 THR 29 H 0.00 0.57 0.27 -0.55 8.28 8.57 2r5iE1 THR 29 HA -0.00 0.14 0.61 -0.75 4.39 4.39 2r5iE1 THR 29 HB -0.01 -0.04 -0.08 -0.04 4.32 4.16 2r5iE1 THR 29 HG23 0.01 0.01 0.04 -0.04 1.22 1.24 2r5iE1 ARG 30 H -0.00 0.13 0.24 -0.55 8.46 8.27 2r5iE1 ARG 30 HA -0.03 0.13 0.70 -0.75 4.34 4.38 2r5iE1 ARG 30 HB2 0.01 -0.05 0.18 -0.04 1.90 2.01 2r5iE1 ARG 30 HB3 0.00 0.14 0.10 -0.04 1.80 2.01 2r5iE1 ARG 30 HG2 -0.00 0.01 -0.08 -0.04 1.67 1.56 2r5iE1 ARG 30 HG3 -0.01 0.01 -0.11 -0.04 1.67 1.52 2r5iE1 ARG 30 HD2 0.04 -0.03 0.04 -0.04 3.22 3.23 2r5iE1 ARG 30 HD3 0.07 0.03 0.00 -0.04 3.22 3.29 2r5iE1 THR 31 H -0.08 0.34 0.30 -0.55 8.28 8.29 2r5iE1 THR 31 HA -0.04 0.15 0.83 -0.75 4.39 4.57 2r5iE1 THR 31 HB -0.05 -0.17 0.24 -0.04 4.32 4.30 2r5iE1 THR 31 HG23 -0.07 0.03 -0.01 -0.04 1.22 1.13 2r5iE1 SER 32 H -0.04 0.12 0.15 -0.55 8.46 8.15 2r5iE1 SER 32 HA -0.07 0.21 0.69 -0.75 4.49 4.56 2r5iE1 SER 32 HB2 0.09 0.02 0.16 -0.04 3.95 4.18 2r5iE1 SER 32 HB3 0.03 0.03 0.01 -0.04 3.93 3.97 2r5iE1 ILE 33 H -0.17 0.09 -0.17 -0.55 8.25 7.44 2r5iE1 ILE 33 HA 0.02 0.17 0.68 -0.75 4.18 4.30 2r5iE1 ILE 33 HB 0.08 -0.07 0.20 -0.04 1.89 2.06 2r5iE1 ILE 33 HG12 -0.02 -0.14 0.09 -0.04 1.49 1.38 2r5iE1 ILE 33 HG13 0.04 0.03 0.04 -0.04 1.21 1.28 2r5iE1 ILE 33 HG23 0.23 0.02 -0.07 -0.04 0.93 1.07 2r5iE1 ILE 33 HD13 0.03 0.04 -0.10 -0.04 0.88 0.80 2r5iE1 PHE 34 H 0.18 0.24 0.25 -0.55 8.34 8.47 2r5iE1 PHE 34 HA 0.19 0.28 1.17 -0.75 4.62 5.51 2r5iE1 PHE 34 HB2 0.07 -0.06 0.10 -0.04 3.15 3.22 2r5iE1 PHE 34 HB3 -0.16 0.03 -0.04 -0.04 3.06 2.84 2r5iE1 PHE 34 HD2 0.06 0.04 -0.17 -0.04 7.28 7.17 2r5iE1 PHE 34 HE2 0.13 0.00 -0.08 -0.04 7.38 7.40 2r5iE1 PHE 34 HZ 0.16 0.02 -0.04 -0.04 7.32 7.41 2r5iE1 TYR 35 H 0.34 0.64 0.33 -0.55 8.29 9.05 2r5iE1 TYR 35 HA 0.11 0.30 1.07 -0.75 4.56 5.29 2r5iE1 TYR 35 HB2 -0.17 -0.05 0.03 -0.04 3.06 2.83 2r5iE1 TYR 35 HB3 -0.06 0.02 0.03 -0.04 2.98 2.94 2r5iE1 TYR 35 HD2 0.39 -0.04 -0.35 -0.04 7.15 7.11 2r5iE1 TYR 35 HE2 0.43 -0.01 -0.18 -0.04 6.85 7.05 2r5iE1 HIS 36 H 0.12 0.48 0.33 -0.55 8.41 8.79 2r5iE1 HIS 36 HA -0.26 0.29 1.01 -0.75 4.63 4.91 2r5iE1 HIS 36 HB2 -0.12 -0.03 0.05 -0.04 3.26 3.12 2r5iE1 HIS 36 HB3 -0.17 -0.01 0.07 -0.04 3.20 3.05 2r5iE1 HIS 36 HD2 -0.08 -0.14 -0.08 -0.04 6.97 6.63 2r5iE1 HIS 36 HE1 -0.44 0.06 -0.20 -0.04 7.75 7.13 2r5iE1 ALA 37 H -1.09 0.42 0.26 -0.55 8.40 7.44 2r5iE1 ALA 37 HA -0.28 0.36 0.69 -0.75 4.34 4.35 2r5iE1 ALA 37 HB3 -0.64 -0.01 -0.20 -0.04 1.41 0.51 2r5iE1 GLY 38 H -0.08 0.33 0.11 -0.55 8.43 8.24 2r5iE1 GLY 38 HA2 -0.04 0.06 0.72 -0.51 4.01 4.23 2r5iE1 GLY 38 HA3 -0.07 0.03 0.41 -0.51 4.01 3.86 2r5iE1 SER 39 H -0.02 0.22 0.19 -0.55 8.46 8.30 2r5iE1 SER 39 HA 0.00 0.04 0.33 -0.75 4.49 4.11 2r5iE1 SER 39 HB2 -0.07 -0.00 0.03 -0.04 3.95 3.86 2r5iE1 SER 39 HB3 -0.09 -0.00 0.10 -0.04 3.93 3.90 2r5iE1 SER 40 H 0.03 0.06 0.12 -0.55 8.46 8.12 2r5iE1 SER 40 HA 0.04 0.16 0.54 -0.75 4.49 4.47 2r5iE1 SER 40 HB2 0.05 0.06 0.08 -0.04 3.95 4.09 2r5iE1 SER 40 HB3 0.05 0.05 0.14 -0.04 3.93 4.13 2r5iE1 ARG 41 H 0.05 0.16 -0.08 -0.55 8.46 8.03 2r5iE1 ARG 41 HA -0.01 0.17 0.73 -0.75 4.34 4.48 2r5iE1 ARG 41 HB2 0.02 0.08 -0.13 -0.04 1.90 1.82 2r5iE1 ARG 41 HB3 0.04 -0.07 0.07 -0.04 1.80 1.80 2r5iE1 ARG 41 HG2 0.05 0.04 -0.45 -0.04 1.67 1.28 2r5iE1 ARG 41 HG3 0.01 0.06 -0.05 -0.04 1.67 1.65 2r5iE1 ARG 41 HD2 0.03 -0.04 -0.05 -0.04 3.22 3.11 2r5iE1 ARG 41 HD3 0.03 -0.03 -0.10 -0.04 3.22 3.09 2r5iE1 LEU 42 H -0.02 0.33 0.12 -0.55 8.37 8.25 2r5iE1 LEU 42 HA 0.25 0.07 0.55 -0.75 4.35 4.47 2r5iE1 LEU 42 HB2 -0.16 -0.10 0.01 -0.04 1.64 1.35 2r5iE1 LEU 42 HB3 -0.23 0.05 0.00 -0.04 1.64 1.42 2r5iE1 LEU 42 HG -0.15 -0.03 -0.06 -0.04 1.64 1.36 2r5iE1 LEU 42 HD13 -0.68 -0.01 -0.12 -0.04 0.93 0.07 2r5iE1 LEU 42 HD23 0.10 0.01 -0.11 -0.04 0.89 0.84 2r5iE1 LEU 43 H 0.44 0.30 0.32 -0.55 8.37 8.87 2r5iE1 LEU 43 HA 0.23 0.26 1.06 -0.75 4.35 5.14 2r5iE1 LEU 43 HB2 0.12 0.06 -0.27 -0.04 1.64 1.52 2r5iE1 LEU 43 HB3 0.14 -0.03 0.05 -0.04 1.64 1.76 2r5iE1 LEU 43 HG 0.07 -0.04 -0.08 -0.04 1.64 1.55 2r5iE1 LEU 43 HD13 0.06 0.08 0.12 -0.04 0.93 1.15 2r5iE1 LEU 43 HD23 0.05 -0.01 -0.05 -0.04 0.89 0.83 2r5iE1 THR 44 H 0.17 0.50 0.36 -0.55 8.28 8.76 2r5iE1 THR 44 HA 0.04 0.08 0.46 -0.75 4.39 4.22 2r5iE1 THR 44 HB -0.07 0.13 0.01 -0.04 4.32 4.35 2r5iE1 THR 44 HG23 0.25 -0.01 -0.12 -0.04 1.22 1.30 2r5iE1 VAL 45 H -0.01 0.25 0.24 -0.55 8.24 8.17 2r5iE1 VAL 45 HA -0.03 0.40 1.08 -0.75 4.13 4.83 2r5iE1 VAL 45 HB -0.02 0.02 0.07 -0.04 2.12 2.15 2r5iE1 VAL 45 HG13 -0.01 -0.04 -0.18 -0.04 0.97 0.69 2r5iE1 VAL 45 HG23 -0.01 -0.01 -0.07 -0.04 0.95 0.82 2r5iE1 GLY 46 H -0.01 0.41 0.37 -0.55 8.43 8.65 2r5iE1 GLY 46 HA2 -0.01 0.01 0.56 -0.51 4.01 4.05 2r5iE1 GLY 46 HA3 -0.01 0.11 0.23 -0.51 4.01 3.83 2r5iE1 ASP 47 H -0.03 0.53 0.30 -0.55 8.40 8.66 2r5iE1 ASP 47 HA -0.14 0.28 0.84 -0.75 4.63 4.86 2r5iE1 ASP 47 HB2 -0.11 -0.03 0.22 -0.04 2.71 2.75 2r5iE1 ASP 47 HB3 -0.15 0.25 0.28 -0.04 2.70 3.04 2r5iE1 PRO 48 HA 0.04 0.30 0.29 -0.51 4.44 4.56 2r5iE1 PRO 48 HB2 -0.03 -0.01 0.02 -0.04 2.28 2.22 2r5iE1 PRO 48 HB3 -0.04 0.06 0.04 -0.04 2.02 2.04 2r5iE1 PRO 48 HG2 -1.35 -0.02 -0.01 -0.04 2.03 0.61 2r5iE1 PRO 48 HG3 -0.41 0.03 -0.07 -0.04 2.03 1.54 2r5iE1 PRO 48 HD2 -0.48 0.09 0.23 -0.04 3.68 3.48 2r5iE1 PRO 48 HD3 -0.19 0.16 0.05 -0.04 3.65 3.62 2r5iE1 TYR 49 H -0.39 0.07 -0.18 -0.55 8.29 7.23 2r5iE1 TYR 49 HA -0.03 0.19 0.99 -0.75 4.56 4.95 2r5iE1 TYR 49 HB2 -0.63 0.04 -0.02 -0.04 3.06 2.41 2r5iE1 TYR 49 HB3 0.01 -0.05 -0.02 -0.04 2.98 2.88 2r5iE1 TYR 49 HD2 -0.05 0.12 -0.39 -0.04 7.15 6.79 2r5iE1 TYR 49 HE2 -0.05 0.08 0.01 -0.04 6.85 6.85 2r5iE1 PHE 50 H -0.42 0.20 -0.00 -0.55 8.34 7.57 2r5iE1 PHE 50 HA 0.07 0.09 0.34 -0.75 4.62 4.37 2r5iE1 PHE 50 HB2 0.05 0.01 0.09 -0.04 3.15 3.26 2r5iE1 PHE 50 HB3 0.07 0.19 0.08 -0.04 3.06 3.35 2r5iE1 PHE 50 HD2 0.07 0.13 -0.55 -0.04 7.28 6.89 2r5iE1 PHE 50 HE2 0.06 -0.01 -0.08 -0.04 7.38 7.31 2r5iE1 PHE 50 HZ 0.03 0.00 -0.03 -0.04 7.32 7.28 2r5iE1 ARG 51 H 0.24 0.12 0.13 -0.55 8.46 8.39 2r5iE1 ARG 51 HA 0.12 0.28 0.61 -0.75 4.34 4.60 2r5iE1 ARG 51 HB2 0.07 0.06 -0.01 -0.04 1.90 1.98 2r5iE1 ARG 51 HB3 0.08 -0.10 0.07 -0.04 1.80 1.81 2r5iE1 ARG 51 HG2 0.08 0.00 0.06 -0.04 1.67 1.77 2r5iE1 ARG 51 HG3 0.09 0.00 -0.13 -0.04 1.67 1.60 2r5iE1 ARG 51 HD2 0.03 0.02 -0.04 -0.04 3.22 3.19 2r5iE1 ARG 51 HD3 0.04 -0.06 -0.15 -0.04 3.22 3.01 2r5iE1 VAL 52 H 0.11 0.48 0.30 -0.55 8.24 8.58 2r5iE1 VAL 52 HA 0.19 0.21 0.77 -0.75 4.13 4.54 2r5iE1 VAL 52 HB 0.09 -0.10 0.34 -0.04 2.12 2.41 2r5iE1 VAL 52 HG13 0.12 0.04 -0.04 -0.04 0.97 1.04 2r5iE1 VAL 52 HG23 0.20 0.02 0.02 -0.04 0.95 1.15 2r5iE1 PRO 53 HA 0.03 -0.09 0.36 -0.51 4.44 4.24 2r5iE1 PRO 53 HB2 0.02 0.02 0.11 -0.04 2.28 2.38 2r5iE1 PRO 53 HB3 0.01 0.02 0.09 -0.04 2.02 2.10 2r5iE1 PRO 53 HG2 -0.00 0.04 0.09 -0.04 2.03 2.11 2r5iE1 PRO 53 HG3 0.02 0.01 0.06 -0.04 2.03 2.08 2r5iE1 PRO 53 HD2 0.03 0.06 0.21 -0.04 3.68 3.94 2r5iE1 PRO 53 HD3 0.05 0.40 0.32 -0.04 3.65 4.38 2r5iE1 ALA 54 H 0.02 0.04 0.16 -0.55 8.40 8.07 2r5iE1 ALA 54 HA 0.02 0.20 0.16 -0.75 4.34 3.97 2r5iE1 ALA 54 HB3 0.01 -0.03 0.09 -0.04 1.41 1.44 2r5iE1 GLY 55 H 0.01 0.08 -0.07 -0.55 8.43 7.90 2r5iE1 GLY 55 HA2 0.01 0.09 -0.53 -0.51 4.01 3.08 2r5iE1 GLY 55 HA3 0.01 -0.03 0.13 -0.51 4.01 3.60 2r5iE1 GLY 56 H 0.02 0.53 -0.36 -0.55 8.43 8.08 2r5iE1 GLY 56 HA2 0.02 0.02 0.43 -0.51 4.01 3.96 2r5iE1 GLY 56 HA3 0.03 -0.00 0.24 -0.51 4.01 3.77 2r5iE1 GLY 57 H 0.05 0.05 -0.21 -0.55 8.43 7.77 2r5iE1 GLY 57 HA2 0.04 0.13 0.63 -0.51 4.01 4.30 2r5iE1 GLY 57 HA3 0.06 -0.02 0.24 -0.51 4.01 3.78 2r5iE1 ASN 58 H 0.03 0.14 -0.06 -0.55 8.53 8.09 2r5iE1 ASN 58 HA 0.01 0.13 0.76 -0.75 4.76 4.90 2r5iE1 ASN 58 HB2 -0.01 0.02 0.03 -0.04 2.88 2.88 2r5iE1 ASN 58 HB3 -0.00 0.05 -0.12 -0.04 2.79 2.67 2r5iE1 ASN 58 HD21 -0.04 -0.01 -0.03 -0.04 7.03 6.91 2r5iE1 ASN 58 HD22 -0.02 0.03 -0.06 -0.04 7.74 7.65 2r5iE1 LYS 59 H 0.00 0.16 0.11 -0.55 8.42 8.14 2r5iE1 LYS 59 HA 0.01 -0.14 0.44 -0.75 4.32 3.86 2r5iE1 LYS 59 HB2 0.00 0.03 0.14 -0.04 1.87 2.00 2r5iE1 LYS 59 HB3 -0.00 0.01 0.13 -0.04 1.79 1.88 2r5iE1 LYS 59 HG2 -0.00 0.04 -0.42 -0.04 1.46 1.05 2r5iE1 LYS 59 HG3 0.00 -0.04 -0.02 -0.04 1.46 1.36 2r5iE1 LYS 59 HD2 -0.00 0.00 0.01 -0.04 1.69 1.66 2r5iE1 LYS 59 HD3 -0.00 0.01 -0.02 -0.04 1.68 1.63 2r5iE1 LYS 59 HE2 -0.00 0.00 -0.03 -0.04 2.99 2.92 2r5iE1 LYS 59 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.93 2r5iE1 GLN 60 H 0.01 -0.06 0.18 -0.55 8.47 8.05 2r5iE1 GLN 60 HA 0.00 -0.09 0.50 -0.75 4.36 4.01 2r5iE1 GLN 60 HB2 -0.00 -0.09 -0.15 -0.04 2.15 1.87 2r5iE1 GLN 60 HB3 -0.00 0.38 0.26 -0.04 2.02 2.61 2r5iE1 GLN 60 HG2 -0.01 0.07 0.02 -0.04 2.40 2.43 2r5iE1 GLN 60 HG3 -0.01 -0.01 0.07 -0.04 2.39 2.41 2r5iE1 GLN 60 HE21 -0.01 -0.02 0.03 -0.04 6.97 6.92 2r5iE1 GLN 60 HE22 -0.01 0.05 0.03 -0.04 7.69 7.71 2r5iE1 ASP 61 H 0.00 0.03 0.20 -0.55 8.40 8.09 2r5iE1 ASP 61 HA 0.02 0.16 0.32 -0.75 4.63 4.37 2r5iE1 ASP 61 HB2 -0.00 0.01 0.08 -0.04 2.71 2.76 2r5iE1 ASP 61 HB3 0.01 0.04 -0.14 -0.04 2.70 2.58 2r5iE1 ILE 62 H 0.04 0.37 0.20 -0.55 8.25 8.31 2r5iE1 ILE 62 HA 0.00 0.20 0.86 -0.75 4.18 4.49 2r5iE1 ILE 62 HB 0.05 -0.14 0.36 -0.04 1.89 2.13 2r5iE1 ILE 62 HG12 0.03 0.11 -0.07 -0.04 1.49 1.51 2r5iE1 ILE 62 HG13 0.04 -0.06 0.06 -0.04 1.21 1.21 2r5iE1 ILE 62 HG23 0.01 0.01 0.09 -0.04 0.93 1.00 2r5iE1 ILE 62 HD13 -0.00 0.02 0.01 -0.04 0.88 0.86 2r5iE1 PRO 63 HA 0.01 -0.00 0.41 -0.51 4.44 4.35 2r5iE1 PRO 63 HB2 -0.02 0.04 -0.15 -0.04 2.28 2.11 2r5iE1 PRO 63 HB3 -0.04 0.03 0.01 -0.04 2.02 1.99 2r5iE1 PRO 63 HG2 -0.05 0.09 0.10 -0.04 2.03 2.12 2r5iE1 PRO 63 HG3 -0.03 0.02 0.04 -0.04 2.03 2.01 2r5iE1 PRO 63 HD2 -0.01 0.17 0.36 -0.04 3.68 4.16 2r5iE1 PRO 63 HD3 -0.01 0.42 0.34 -0.04 3.65 4.36 2r5iE1 LYS 64 H 0.03 0.11 0.06 -0.55 8.42 8.07 2r5iE1 LYS 64 HA 0.02 0.33 0.64 -0.75 4.32 4.56 2r5iE1 LYS 64 HB2 0.08 -0.12 -0.07 -0.04 1.87 1.72 2r5iE1 LYS 64 HB3 0.06 0.00 0.13 -0.04 1.79 1.94 2r5iE1 LYS 64 HG2 0.09 0.06 -0.46 -0.04 1.46 1.11 2r5iE1 LYS 64 HG3 0.09 -0.10 -0.46 -0.04 1.46 0.95 2r5iE1 LYS 64 HD2 0.10 -0.06 -0.07 -0.04 1.69 1.62 2r5iE1 LYS 64 HD3 0.11 0.01 -0.14 -0.04 1.68 1.62 2r5iE1 LYS 64 HE2 0.15 0.00 -0.26 -0.04 2.99 2.84 2r5iE1 LYS 64 HE3 0.17 0.07 -0.27 -0.04 2.99 2.92 2r5iE1 VAL 65 H 0.03 0.30 -0.16 -0.55 8.24 7.86 2r5iE1 VAL 65 HA 0.09 0.20 0.93 -0.75 4.13 4.59 2r5iE1 VAL 65 HB 0.06 0.01 -0.10 -0.04 2.12 2.05 2r5iE1 VAL 65 HG13 0.08 0.03 -0.35 -0.04 0.97 0.68 2r5iE1 VAL 65 HG23 0.00 -0.03 -0.59 -0.04 0.95 0.29 2r5iE1 SER 66 H 0.16 0.22 -0.03 -0.55 8.46 8.26 2r5iE1 SER 66 HA 0.17 0.27 0.98 -0.75 4.49 5.15 2r5iE1 SER 66 HB2 0.17 0.17 -0.13 -0.04 3.95 4.12 2r5iE1 SER 66 HB3 0.18 -0.02 -0.19 -0.04 3.93 3.86 2r5iE1 ALA 67 H -0.12 0.20 0.13 -0.55 8.40 8.05 2r5iE1 ALA 67 HA 0.15 0.17 0.53 -0.75 4.34 4.44 2r5iE1 ALA 67 HB3 -0.34 0.03 0.08 -0.04 1.41 1.14 2r5iE1 TYR 68 H 0.21 0.03 -0.34 -0.55 8.29 7.64 2r5iE1 TYR 68 HA 0.06 0.23 0.85 -0.75 4.56 4.95 2r5iE1 TYR 68 HB2 0.14 0.02 0.09 -0.04 3.06 3.27 2r5iE1 TYR 68 HB3 0.03 -0.04 0.13 -0.04 2.98 3.07 2r5iE1 TYR 68 HD2 0.14 -0.01 -0.04 -0.04 7.15 7.20 2r5iE1 TYR 68 HE2 0.11 0.16 -0.01 -0.04 6.85 7.07 2r5iE1 GLN 69 H 0.11 0.36 -0.55 -0.55 8.47 7.84 2r5iE1 GLN 69 HA 0.13 0.19 1.08 -0.75 4.36 5.00 2r5iE1 GLN 69 HB2 0.15 0.03 -0.23 -0.04 2.15 2.05 2r5iE1 GLN 69 HB3 0.15 0.01 -0.34 -0.04 2.02 1.79 2r5iE1 GLN 69 HG2 0.15 -0.09 -0.19 -0.04 2.40 2.23 2r5iE1 GLN 69 HG3 0.14 0.03 -0.12 -0.04 2.39 2.40 2r5iE1 GLN 69 HE21 0.09 0.11 0.03 -0.04 6.97 7.16 2r5iE1 GLN 69 HE22 0.12 0.08 -0.08 -0.04 7.69 7.76 2r5iE1 TYR 70 H 0.40 0.62 0.17 -0.55 8.29 8.93 2r5iE1 TYR 70 HA 0.08 0.17 0.35 -0.75 4.56 4.41 2r5iE1 TYR 70 HB2 0.05 -0.02 0.09 -0.04 3.06 3.13 2r5iE1 TYR 70 HB3 0.04 -0.03 -0.13 -0.04 2.98 2.82 2r5iE1 TYR 70 HD2 0.05 0.14 -0.23 -0.04 7.15 7.08 2r5iE1 TYR 70 HE2 0.04 0.09 -0.25 -0.04 6.85 6.68 2r5iE1 ARG 71 H 0.10 0.67 0.40 -0.55 8.46 9.07 2r5iE1 ARG 71 HA -0.07 0.10 0.76 -0.75 4.34 4.38 2r5iE1 ARG 71 HB2 -0.16 -0.04 0.23 -0.04 1.90 1.89 2r5iE1 ARG 71 HB3 -0.86 -0.04 0.00 -0.04 1.80 0.86 2r5iE1 ARG 71 HG2 0.05 0.17 -0.07 -0.04 1.67 1.78 2r5iE1 ARG 71 HG3 -0.14 -0.04 -0.03 -0.04 1.67 1.42 2r5iE1 ARG 71 HD2 0.24 0.02 -0.08 -0.04 3.22 3.35 2r5iE1 ARG 71 HD3 -0.23 -0.07 -0.06 -0.04 3.22 2.82 2r5iE1 VAL 72 H -0.10 0.16 0.05 -0.55 8.24 7.81 2r5iE1 VAL 72 HA 0.01 0.33 1.19 -0.75 4.13 4.91 2r5iE1 VAL 72 HB 0.29 -0.13 0.22 -0.04 2.12 2.47 2r5iE1 VAL 72 HG13 0.15 0.04 -0.09 -0.04 0.97 1.03 2r5iE1 VAL 72 HG23 0.10 0.04 -0.48 -0.04 0.95 0.56 2r5iE1 PHE 73 H 0.13 0.72 0.30 -0.55 8.34 8.94 2r5iE1 PHE 73 HA 0.04 0.25 0.90 -0.75 4.62 5.05 2r5iE1 PHE 73 HB2 -0.11 -0.05 0.12 -0.04 3.15 3.07 2r5iE1 PHE 73 HB3 -0.19 0.02 -0.06 -0.04 3.06 2.79 2r5iE1 PHE 73 HD2 -0.54 0.12 -0.06 -0.04 7.28 6.76 2r5iE1 PHE 73 HE2 -1.42 0.01 -0.11 -0.04 7.38 5.82 2r5iE1 PHE 73 HZ -1.64 0.01 -0.11 -0.04 7.32 5.53 2r5iE1 ARG 74 H 0.08 0.52 0.17 -0.55 8.46 8.68 2r5iE1 ARG 74 HA -0.62 0.22 0.98 -0.75 4.34 4.16 2r5iE1 ARG 74 HB2 -0.22 -0.03 -0.05 -0.04 1.90 1.55 2r5iE1 ARG 74 HB3 -0.09 -0.07 0.12 -0.04 1.80 1.72 2r5iE1 ARG 74 HG2 -0.68 0.06 -0.21 -0.04 1.67 0.80 2r5iE1 ARG 74 HG3 -1.50 -0.02 -0.13 -0.04 1.67 -0.02 2r5iE1 ARG 74 HD2 0.16 0.02 -0.12 -0.04 3.22 3.24 2r5iE1 ARG 74 HD3 0.01 -0.03 -0.10 -0.04 3.22 3.05 2r5iE1 VAL 75 H -0.28 0.90 0.29 -0.55 8.24 8.60 2r5iE1 VAL 75 HA -0.10 0.18 0.66 -0.75 4.13 4.12 2r5iE1 VAL 75 HB -0.24 0.03 0.11 -0.04 2.12 1.98 2r5iE1 VAL 75 HG13 -0.31 -0.01 -0.30 -0.04 0.97 0.31 2r5iE1 VAL 75 HG23 -0.07 -0.01 -0.13 -0.04 0.95 0.69 2r5iE1 GLN 76 H -0.07 0.55 0.38 -0.55 8.47 8.79 2r5iE1 GLN 76 HA -0.10 0.19 0.80 -0.75 4.36 4.50 2r5iE1 GLN 76 HB2 -0.03 0.02 0.07 -0.04 2.15 2.17 2r5iE1 GLN 76 HB3 -0.03 -0.27 0.25 -0.04 2.02 1.92 2r5iE1 GLN 76 HG2 -0.00 -0.08 0.01 -0.04 2.40 2.28 2r5iE1 GLN 76 HG3 -0.03 0.12 -0.01 -0.04 2.39 2.43 2r5iE1 GLN 76 HE21 0.03 -0.02 -0.04 -0.04 6.97 6.90 2r5iE1 GLN 76 HE22 -0.00 0.13 0.04 -0.04 7.69 7.82 2r5iE1 LEU 77 H -0.13 0.77 0.26 -0.55 8.37 8.72 2r5iE1 LEU 77 HA -0.23 0.03 0.58 -0.75 4.35 3.97 2r5iE1 LEU 77 HB2 -0.14 0.00 -0.03 -0.04 1.64 1.44 2r5iE1 LEU 77 HB3 -0.55 -0.02 0.01 -0.04 1.64 1.05 2r5iE1 LEU 77 HG -0.25 0.13 -0.40 -0.04 1.64 1.07 2r5iE1 LEU 77 HD13 -0.70 -0.03 -0.21 -0.04 0.93 -0.06 2r5iE1 LEU 77 HD23 -0.44 -0.03 -0.39 -0.04 0.89 -0.02 2r5iE1 PRO 78 HA -0.19 0.05 0.60 -0.51 4.44 4.39 2r5iE1 PRO 78 HB2 -0.69 0.06 -0.20 -0.04 2.28 1.41 2r5iE1 PRO 78 HB3 -0.45 0.07 0.14 -0.04 2.02 1.75 2r5iE1 PRO 78 HG2 -0.93 -0.00 -0.00 -0.04 2.03 1.06 2r5iE1 PRO 78 HG3 -1.60 0.06 0.04 -0.04 2.03 0.48 2r5iE1 PRO 78 HD2 -1.42 0.06 0.11 -0.04 3.68 2.38 2r5iE1 PRO 78 HD3 -0.73 0.16 -0.04 -0.04 3.65 3.00 2r5iE1 ASP 79 H -0.08 0.13 0.07 -0.55 8.40 7.97 2r5iE1 ASP 79 HA -0.05 0.14 0.38 -0.75 4.63 4.35 2r5iE1 ASP 79 HB2 0.01 0.11 0.06 -0.04 2.71 2.85 2r5iE1 ASP 79 HB3 -0.00 0.00 0.15 -0.04 2.70 2.81 2r5iE1 PRO 80 HA -0.35 0.06 0.02 -0.51 4.44 3.65 2r5iE1 PRO 80 HB2 -0.90 -0.01 -0.12 -0.04 2.28 1.21 2r5iE1 PRO 80 HB3 -1.84 0.04 -0.07 -0.04 2.02 0.11 2r5iE1 PRO 80 HG2 -0.42 0.04 -0.17 -0.04 2.03 1.44 2r5iE1 PRO 80 HG3 -0.76 -0.05 -0.33 -0.04 2.03 0.85 2r5iE1 PRO 80 HD2 -0.12 0.05 0.13 -0.04 3.68 3.69 2r5iE1 PRO 80 HD3 -0.26 0.23 0.21 -0.04 3.65 3.79 2r5iE1 ASN 81 H -0.13 0.05 -0.43 -0.55 8.53 7.47 2r5iE1 ASN 81 HA -0.10 0.09 0.68 -0.75 4.76 4.67 2r5iE1 ASN 81 HB2 -0.01 -0.05 0.14 -0.04 2.88 2.91 2r5iE1 ASN 81 HB3 -0.02 0.07 0.09 -0.04 2.79 2.88 2r5iE1 ASN 81 HD21 -0.15 0.08 0.09 -0.04 7.03 7.01 2r5iE1 ASN 81 HD22 0.05 0.00 0.04 -0.04 7.74 7.79 2r5iE1 LYS 82 H 0.01 0.06 -0.06 -0.55 8.42 7.88 2r5iE1 LYS 82 HA 0.04 0.09 0.40 -0.75 4.32 4.10 2r5iE1 LYS 82 HB2 0.04 0.00 0.09 -0.04 1.87 1.96 2r5iE1 LYS 82 HB3 0.04 -0.01 0.22 -0.04 1.79 2.00 2r5iE1 LYS 82 HG2 0.04 0.03 0.04 -0.04 1.46 1.53 2r5iE1 LYS 82 HG3 0.04 -0.08 0.09 -0.04 1.46 1.46 2r5iE1 LYS 82 HD2 0.04 -0.02 0.05 -0.04 1.69 1.72 2r5iE1 LYS 82 HD3 0.03 -0.01 0.05 -0.04 1.68 1.71 2r5iE1 LYS 82 HE2 0.04 -0.01 0.02 -0.04 2.99 3.00 2r5iE1 LYS 82 HE3 0.06 0.04 0.04 -0.04 2.99 3.08 2r5iE1 PHE 83 H 0.10 0.51 -0.91 -0.55 8.34 7.50 2r5iE1 PHE 83 HA -0.03 0.05 0.62 -0.75 4.62 4.50 2r5iE1 PHE 83 HB2 -0.09 0.16 -0.35 -0.04 3.15 2.83 2r5iE1 PHE 83 HB3 -0.13 0.12 -0.23 -0.04 3.06 2.78 2r5iE1 PHE 83 HD2 -0.06 -0.01 -0.17 -0.04 7.28 7.00 2r5iE1 PHE 83 HE2 -0.06 -0.01 -0.08 -0.04 7.38 7.18 2r5iE1 PHE 83 HZ 0.09 -0.01 -0.09 -0.04 7.32 7.27 2r5iE1 GLY 84 H -0.59 0.14 0.04 -0.55 8.43 7.48 2r5iE1 GLY 84 HA2 -0.15 0.10 0.53 -0.51 4.01 3.98 2r5iE1 GLY 84 HA3 -0.32 0.02 0.30 -0.51 4.01 3.50 2r5iE1 LEU 85 H -0.07 0.25 0.09 -0.55 8.37 8.10 2r5iE1 LEU 85 HA 0.05 0.16 0.57 -0.75 4.35 4.39 2r5iE1 LEU 85 HB2 0.01 -0.11 -0.33 -0.04 1.64 1.17 2r5iE1 LEU 85 HB3 0.04 0.00 0.02 -0.04 1.64 1.66 2r5iE1 LEU 85 HG -0.02 0.19 0.05 -0.04 1.64 1.82 2r5iE1 LEU 85 HD13 -0.14 -0.03 0.04 -0.04 0.93 0.76 2r5iE1 LEU 85 HD23 0.04 0.02 -0.13 -0.04 0.89 0.78 2r5iE1 PRO 86 HA 0.02 0.10 0.40 -0.51 4.44 4.46 2r5iE1 PRO 86 HB2 0.03 0.03 0.02 -0.04 2.28 2.32 2r5iE1 PRO 86 HB3 0.04 0.02 0.10 -0.04 2.02 2.14 2r5iE1 PRO 86 HG2 0.06 0.03 0.08 -0.04 2.03 2.16 2r5iE1 PRO 86 HG3 0.08 0.04 0.06 -0.04 2.03 2.17 2r5iE1 PRO 86 HD2 0.13 0.10 0.15 -0.04 3.68 4.01 2r5iE1 PRO 86 HD3 0.27 0.16 0.12 -0.04 3.65 4.16 2r5iE1 ASP 87 H 0.04 0.20 -0.26 -0.55 8.40 7.83 2r5iE1 ASP 87 HA 0.02 0.20 0.68 -0.75 4.63 4.78 2r5iE1 ASP 87 HB2 0.02 0.08 -0.27 -0.04 2.71 2.50 2r5iE1 ASP 87 HB3 0.03 -0.03 0.02 -0.04 2.70 2.68 2r5iE1 THR 88 H 0.02 0.26 -0.04 -0.55 8.28 7.97 2r5iE1 THR 88 HA 0.07 0.12 0.75 -0.75 4.39 4.58 2r5iE1 THR 88 HB 0.03 0.02 0.18 -0.04 4.32 4.51 2r5iE1 THR 88 HG23 0.13 0.02 0.13 -0.04 1.22 1.46 2r5iE1 SER 89 H 0.05 0.30 -0.73 -0.55 8.46 7.54 2r5iE1 SER 89 HA 0.05 0.22 0.55 -0.75 4.49 4.55 2r5iE1 SER 89 HB2 0.01 0.02 0.10 -0.04 3.95 4.04 2r5iE1 SER 89 HB3 0.02 0.02 -0.19 -0.04 3.93 3.74 2r5iE1 ILE 90 H 0.12 0.10 0.04 -0.55 8.25 7.97 2r5iE1 ILE 90 HA 0.03 0.19 0.81 -0.75 4.18 4.46 2r5iE1 ILE 90 HB -0.07 0.01 0.01 -0.04 1.89 1.80 2r5iE1 ILE 90 HG12 0.01 0.29 0.22 -0.04 1.49 1.97 2r5iE1 ILE 90 HG13 -0.01 -0.05 0.07 -0.04 1.21 1.18 2r5iE1 ILE 90 HG23 -0.02 -0.00 0.04 -0.04 0.93 0.90 2r5iE1 ILE 90 HD13 0.02 -0.02 -0.09 -0.04 0.88 0.75 2r5iE1 TYR 91 H 0.36 0.06 0.04 -0.55 8.29 8.20 2r5iE1 TYR 91 HA -0.04 0.19 0.56 -0.75 4.56 4.51 2r5iE1 TYR 91 HB2 -0.08 -0.03 -0.07 -0.04 3.06 2.84 2r5iE1 TYR 91 HB3 -0.08 0.05 -0.36 -0.04 2.98 2.55 2r5iE1 TYR 91 HD2 -0.11 -0.11 -0.27 -0.04 7.15 6.62 2r5iE1 TYR 91 HE2 -0.13 0.03 -0.09 -0.04 6.85 6.61 2r5iE1 ASN 92 H -0.11 0.18 0.04 -0.55 8.53 8.10 2r5iE1 ASN 92 HA -0.30 0.31 0.94 -0.75 4.76 4.96 2r5iE1 ASN 92 HB2 -0.10 0.12 0.04 -0.04 2.88 2.90 2r5iE1 ASN 92 HB3 -0.10 0.01 0.19 -0.04 2.79 2.84 2r5iE1 ASN 92 HD21 -0.07 0.10 0.02 -0.04 7.03 7.04 2r5iE1 ASN 92 HD22 -0.07 0.08 0.08 -0.04 7.74 7.79 2r5iE1 PRO 93 HA -0.57 0.21 0.36 -0.51 4.44 3.93 2r5iE1 PRO 93 HB2 -0.19 0.06 0.08 -0.04 2.28 2.18 2r5iE1 PRO 93 HB3 -0.32 0.06 0.14 -0.04 2.02 1.85 2r5iE1 PRO 93 HG2 -0.21 0.00 0.02 -0.04 2.03 1.81 2r5iE1 PRO 93 HG3 -0.20 0.09 0.09 -0.04 2.03 1.97 2r5iE1 PRO 93 HD2 -0.34 0.13 0.32 -0.04 3.68 3.75 2r5iE1 PRO 93 HD3 -0.88 0.17 0.01 -0.04 3.65 2.91 2r5iE1 GLU 94 H -0.22 -0.12 -1.27 -0.55 8.60 6.45 2r5iE1 GLU 94 HA -0.10 0.23 0.84 -0.75 4.29 4.51 2r5iE1 GLU 94 HB2 -0.09 -0.06 0.04 -0.04 2.09 1.94 2r5iE1 GLU 94 HB3 -0.06 0.02 0.03 -0.04 1.99 1.94 2r5iE1 GLU 94 HG2 -0.11 -0.07 -0.15 -0.04 2.34 1.96 2r5iE1 GLU 94 HG3 -0.07 -0.01 -0.02 -0.04 2.34 2.19 2r5iE1 THR 95 H -0.13 0.26 0.24 -0.55 8.28 8.11 2r5iE1 THR 95 HA -0.05 0.24 0.95 -0.75 4.39 4.78 2r5iE1 THR 95 HB -0.03 0.01 0.16 -0.04 4.32 4.42 2r5iE1 THR 95 HG23 -0.04 -0.01 -0.04 -0.04 1.22 1.09 2r5iE1 GLN 96 H -0.16 0.46 0.19 -0.55 8.47 8.41 2r5iE1 GLN 96 HA -0.08 0.24 1.35 -0.75 4.36 5.12 2r5iE1 GLN 96 HB2 0.06 0.04 -0.07 -0.04 2.15 2.15 2r5iE1 GLN 96 HB3 -0.01 -0.02 -0.16 -0.04 2.02 1.79 2r5iE1 GLN 96 HG2 -0.06 -0.08 -0.09 -0.04 2.40 2.13 2r5iE1 GLN 96 HG3 -0.04 -0.13 -0.08 -0.04 2.39 2.10 2r5iE1 GLN 96 HE21 0.04 0.16 0.01 -0.04 6.97 7.14 2r5iE1 GLN 96 HE22 0.05 -0.50 0.12 -0.04 7.69 7.32 2r5iE1 ARG 97 H -0.20 0.56 0.33 -0.55 8.46 8.60 2r5iE1 ARG 97 HA -0.17 0.14 0.68 -0.75 4.34 4.23 2r5iE1 ARG 97 HB2 -1.21 0.01 0.04 -0.04 1.90 0.69 2r5iE1 ARG 97 HB3 -1.52 -0.01 0.06 -0.04 1.80 0.29 2r5iE1 ARG 97 HG2 -0.46 0.02 -0.41 -0.04 1.67 0.77 2r5iE1 ARG 97 HG3 -1.28 0.00 -0.06 -0.04 1.67 0.29 2r5iE1 ARG 97 HD2 -0.89 -0.06 0.09 -0.04 3.22 2.32 2r5iE1 ARG 97 HD3 -0.33 -0.00 0.19 -0.04 3.22 3.04 2r5iE1 LEU 98 H -0.42 0.17 0.13 -0.55 8.37 7.70 2r5iE1 LEU 98 HA -0.31 0.41 1.26 -0.75 4.35 4.96 2r5iE1 LEU 98 HB2 -0.41 -0.07 -0.07 -0.04 1.64 1.05 2r5iE1 LEU 98 HB3 -0.56 0.04 -0.10 -0.04 1.64 0.97 2r5iE1 LEU 98 HG -1.01 -0.09 -0.31 -0.04 1.64 0.18 2r5iE1 LEU 98 HD13 -0.67 0.03 -0.12 -0.04 0.93 0.13 2r5iE1 LEU 98 HD23 -0.51 0.03 -0.18 -0.04 0.89 0.18 2r5iE1 VAL 99 H -0.22 0.68 0.28 -0.55 8.24 8.43 2r5iE1 VAL 99 HA -0.07 0.24 1.12 -0.75 4.13 4.66 2r5iE1 VAL 99 HB -0.12 -0.00 -0.25 -0.04 2.12 1.71 2r5iE1 VAL 99 HG13 -0.13 -0.00 -0.07 -0.04 0.97 0.73 2r5iE1 VAL 99 HG23 0.20 0.01 -0.28 -0.04 0.95 0.84 2r5iE1 TRP 100 H 0.07 0.19 0.16 -0.55 7.97 7.85 2r5iE1 TRP 100 HA -0.09 0.22 0.82 -0.75 4.62 4.82 2r5iE1 TRP 100 HB2 -0.21 0.02 0.17 -0.04 3.23 3.16 2r5iE1 TRP 100 HB3 -0.28 0.00 -0.05 -0.04 3.23 2.86 2r5iE1 TRP 100 HD1 -0.33 0.01 -0.02 -0.04 7.22 6.84 2r5iE1 TRP 100 HE1 -0.78 0.27 -0.04 -0.04 10.20 9.60 2r5iE1 TRP 100 HE3 -0.00 0.20 -0.33 -0.04 7.59 7.42 2r5iE1 TRP 100 HZ2 -1.00 0.02 -0.15 -0.04 7.44 6.26 2r5iE1 TRP 100 HZ3 0.11 -0.03 -0.28 -0.04 7.13 6.89 2r5iE1 TRP 100 HH2 -0.88 -0.01 -0.16 -0.04 7.19 6.09 2r5iE1 ALA 101 H 0.33 0.73 0.35 -0.55 8.40 9.25 2r5iE1 ALA 101 HA 0.01 0.15 1.13 -0.75 4.34 4.87 2r5iE1 ALA 101 HB3 0.03 0.02 0.02 -0.04 1.41 1.44 2r5iE1 CYS 102 H 0.01 0.55 0.28 -0.55 8.50 8.80 2r5iE1 CYS 102 HA 0.10 0.03 0.64 -0.75 4.58 4.60 2r5iE1 CYS 102 HB2 0.16 -0.03 0.07 -0.04 2.97 3.14 2r5iE1 CYS 102 HB3 -0.18 -0.01 0.15 -0.04 2.97 2.90 2r5iE1 ALA 103 H -0.13 0.88 0.55 -0.55 8.40 9.16 2r5iE1 ALA 103 HA 0.07 0.35 1.18 -0.75 4.34 5.18 2r5iE1 ALA 103 HB3 0.12 -0.01 -0.03 -0.04 1.41 1.45 2r5iE1 GLY 104 H -0.14 0.22 0.26 -0.55 8.43 8.23 2r5iE1 GLY 104 HA2 0.01 0.12 0.70 -0.51 4.01 4.33 2r5iE1 GLY 104 HA3 0.18 0.06 0.30 -0.51 4.01 4.04 2r5iE1 VAL 105 H -0.44 0.54 0.34 -0.55 8.24 8.13 2r5iE1 VAL 105 HA -0.51 0.26 0.96 -0.75 4.13 4.08 2r5iE1 VAL 105 HB -0.25 -0.00 -0.06 -0.04 2.12 1.76 2r5iE1 VAL 105 HG13 -0.49 -0.04 0.04 -0.04 0.97 0.45 2r5iE1 VAL 105 HG23 -0.26 -0.01 -0.31 -0.04 0.95 0.33 2r5iE1 GLU 106 H -0.53 0.30 0.14 -0.55 8.60 7.96 2r5iE1 GLU 106 HA -0.27 0.24 0.56 -0.75 4.29 4.06 2r5iE1 GLU 106 HB2 -0.39 0.09 -0.12 -0.04 2.09 1.63 2r5iE1 GLU 106 HB3 -0.32 -0.08 -0.07 -0.04 1.99 1.47 2r5iE1 GLU 106 HG2 -0.20 -0.06 -0.30 -0.04 2.34 1.73 2r5iE1 GLU 106 HG3 -0.22 0.05 -0.41 -0.04 2.34 1.71 2r5iE1 ILE 107 H 0.05 0.21 0.11 -0.55 8.25 8.06 2r5iE1 ILE 107 HA -0.24 0.14 0.93 -0.75 4.18 4.26 2r5iE1 ILE 107 HB 0.07 -0.04 0.24 -0.04 1.89 2.12 2r5iE1 ILE 107 HG12 -0.07 0.02 -0.02 -0.04 1.49 1.37 2r5iE1 ILE 107 HG13 -0.19 0.01 0.02 -0.04 1.21 1.02 2r5iE1 ILE 107 HG23 -0.33 -0.01 -0.21 -0.04 0.93 0.33 2r5iE1 ILE 107 HD13 0.06 -0.02 -0.06 -0.04 0.88 0.82 2r5iE1 GLY 108 H -0.19 0.88 0.42 -0.55 8.43 9.00 2r5iE1 GLY 108 HA2 -0.10 0.04 0.59 -0.51 4.01 4.03 2r5iE1 GLY 108 HA3 -0.12 0.07 0.29 -0.51 4.01 3.73 2r5iE1 ARG 109 H -0.09 0.21 0.19 -0.55 8.46 8.22 2r5iE1 ARG 109 HA -0.30 0.26 1.30 -0.75 4.34 4.86 2r5iE1 ARG 109 HB2 -0.06 -0.00 -0.01 -0.04 1.90 1.78 2r5iE1 ARG 109 HB3 -0.19 0.02 -0.11 -0.04 1.80 1.48 2r5iE1 ARG 109 HG2 -0.28 -0.03 -0.40 -0.04 1.67 0.92 2r5iE1 ARG 109 HG3 -0.11 -0.06 -0.10 -0.04 1.67 1.36 2r5iE1 ARG 109 HD2 -0.81 0.13 0.06 -0.04 3.22 2.56 2r5iE1 ARG 109 HD3 -0.68 -0.06 -0.11 -0.04 3.22 2.33 2r5iE1 GLY 110 H -0.21 0.44 0.29 -0.55 8.43 8.41 2r5iE1 GLY 110 HA2 -0.07 0.05 0.12 -0.51 4.01 3.60 2r5iE1 GLY 110 HA3 -0.08 -0.05 0.36 -0.51 4.01 3.73 2r5iE1 GLN 111 H -0.06 -0.02 0.10 -0.55 8.47 7.94 2r5iE1 GLN 111 HA -0.02 0.03 0.15 -0.75 4.36 3.77 2r5iE1 GLN 111 HB2 -0.02 0.04 0.03 -0.04 2.15 2.16 2r5iE1 GLN 111 HB3 -0.01 0.05 0.17 -0.04 2.02 2.19 2r5iE1 GLN 111 HG2 -0.05 -0.15 0.08 -0.04 2.40 2.24 2r5iE1 GLN 111 HG3 -0.04 0.06 -0.03 -0.04 2.39 2.33 2r5iE1 GLN 111 HE21 -0.01 0.02 -0.08 -0.04 6.97 6.85 2r5iE1 GLN 111 HE22 -0.03 -0.13 -0.10 -0.04 7.69 7.39 2r5iE1 PRO 112 HA -0.00 0.13 0.71 -0.51 4.44 4.77 2r5iE1 PRO 112 HB2 0.01 0.08 0.05 -0.04 2.28 2.38 2r5iE1 PRO 112 HB3 0.00 -0.01 0.11 -0.04 2.02 2.09 2r5iE1 PRO 112 HG2 0.01 0.06 -0.04 -0.04 2.03 2.02 2r5iE1 PRO 112 HG3 0.01 0.00 0.05 -0.04 2.03 2.05 2r5iE1 PRO 112 HD2 0.00 0.05 0.20 -0.04 3.68 3.89 2r5iE1 PRO 112 HD3 -0.00 0.11 0.14 -0.04 3.65 3.86 2r5iE1 LEU 113 H 0.01 0.05 0.13 -0.55 8.37 8.01 2r5iE1 LEU 113 HA 0.02 0.14 0.49 -0.75 4.35 4.24 2r5iE1 LEU 113 HB2 0.01 -0.07 0.14 -0.04 1.64 1.68 2r5iE1 LEU 113 HB3 0.02 0.02 -0.05 -0.04 1.64 1.59 2r5iE1 LEU 113 HG 0.03 0.12 -0.04 -0.04 1.64 1.71 2r5iE1 LEU 113 HD13 0.02 0.00 -0.12 -0.04 0.93 0.80 2r5iE1 LEU 113 HD23 0.02 0.00 -0.25 -0.04 0.89 0.62 2r5iE1 GLY 114 H 0.03 0.69 0.44 -0.55 8.43 9.04 2r5iE1 GLY 114 HA2 0.03 0.07 0.51 -0.51 4.01 4.11 2r5iE1 GLY 114 HA3 0.03 0.05 0.32 -0.51 4.01 3.90 2r5iE1 VAL 115 H 0.03 0.18 0.17 -0.55 8.24 8.07 2r5iE1 VAL 115 HA 0.04 0.29 0.99 -0.75 4.13 4.69 2r5iE1 VAL 115 HB 0.05 0.02 0.09 -0.04 2.12 2.24 2r5iE1 VAL 115 HG13 0.05 0.01 -0.14 -0.04 0.97 0.85 2r5iE1 VAL 115 HG23 0.03 -0.02 -0.07 -0.04 0.95 0.86 2r5iE1 GLY 116 H 0.07 0.31 0.21 -0.55 8.43 8.46 2r5iE1 GLY 116 HA2 0.03 0.03 0.83 -0.51 4.01 4.39 2r5iE1 GLY 116 HA3 0.02 0.32 0.35 -0.51 4.01 4.20 2r5iE1 LEU 117 H 0.03 0.12 0.18 -0.55 8.37 8.15 2r5iE1 LEU 117 HA -0.10 0.26 0.70 -0.75 4.35 4.46 2r5iE1 LEU 117 HB2 -0.00 0.00 0.02 -0.04 1.64 1.62 2r5iE1 LEU 117 HB3 -0.06 -0.07 -0.02 -0.04 1.64 1.45 2r5iE1 LEU 117 HG 0.00 -0.02 -0.06 -0.04 1.64 1.53 2r5iE1 LEU 117 HD13 -0.01 0.01 -0.09 -0.04 0.93 0.80 2r5iE1 LEU 117 HD23 -0.03 0.01 -0.29 -0.04 0.89 0.54 2r5iE1 SER 118 H -0.28 0.50 0.46 -0.55 8.46 8.59 2r5iE1 SER 118 HA -0.37 0.15 0.84 -0.75 4.49 4.36 2r5iE1 SER 118 HB2 -0.63 -0.01 0.06 -0.04 3.95 3.32 2r5iE1 SER 118 HB3 -0.32 -0.08 0.13 -0.04 3.93 3.62 2r5iE1 GLY 119 H -0.49 0.22 0.25 -0.55 8.43 7.86 2r5iE1 GLY 119 HA2 -0.11 0.19 0.96 -0.51 4.01 4.53 2r5iE1 GLY 119 HA3 -0.13 0.10 0.46 -0.51 4.01 3.93 2r5iE1 HIS 120 H 0.03 0.61 0.35 -0.55 8.41 8.86 2r5iE1 HIS 120 HA -0.07 0.16 0.77 -0.75 4.63 4.73 2r5iE1 HIS 120 HB2 0.04 -0.07 -0.19 -0.04 3.26 2.99 2r5iE1 HIS 120 HB3 0.12 -0.01 -0.00 -0.04 3.20 3.26 2r5iE1 HIS 120 HD2 -0.01 0.11 -0.02 -0.04 6.97 7.00 2r5iE1 HIS 120 HE1 0.24 0.05 -0.02 -0.04 7.75 7.99 2r5iE1 PRO 121 HA -0.26 0.03 0.46 -0.51 4.44 4.15 2r5iE1 PRO 121 HB2 -1.28 0.06 -0.05 -0.04 2.28 0.97 2r5iE1 PRO 121 HB3 -0.74 0.04 0.06 -0.04 2.02 1.34 2r5iE1 PRO 121 HG2 -0.30 0.08 0.08 -0.04 2.03 1.85 2r5iE1 PRO 121 HG3 -0.23 0.04 0.07 -0.04 2.03 1.86 2r5iE1 PRO 121 HD2 -0.86 0.15 0.22 -0.04 3.68 3.14 2r5iE1 PRO 121 HD3 -0.32 0.13 0.19 -0.04 3.65 3.61 2r5iE1 PHE 122 H 0.93 0.08 -0.33 -0.55 8.34 8.47 2r5iE1 PHE 122 HA 0.04 0.24 0.65 -0.75 4.62 4.80 2r5iE1 PHE 122 HB2 0.07 0.03 0.05 -0.04 3.15 3.26 2r5iE1 PHE 122 HB3 -0.00 -0.02 0.05 -0.04 3.06 3.05 2r5iE1 PHE 122 HD2 0.09 0.05 -0.09 -0.04 7.28 7.28 2r5iE1 PHE 122 HE2 0.01 0.00 -0.05 -0.04 7.38 7.30 2r5iE1 PHE 122 HZ 0.01 -0.01 -0.04 -0.04 7.32 7.23 2r5iE1 TYR 123 H 0.13 0.37 -0.09 -0.55 8.29 8.14 2r5iE1 TYR 123 HA -0.30 0.04 0.24 -0.75 4.56 3.78 2r5iE1 TYR 123 HB2 -0.09 -0.08 0.13 -0.04 3.06 2.98 2r5iE1 TYR 123 HB3 -0.19 0.09 0.10 -0.04 2.98 2.94 2r5iE1 TYR 123 HD2 -0.21 -0.10 -0.41 -0.04 7.15 6.39 2r5iE1 TYR 123 HE2 -0.01 -0.04 -0.19 -0.04 6.85 6.57 2r5iE1 ASN 124 H -0.52 0.72 0.36 -0.55 8.53 8.56 2r5iE1 ASN 124 HA -0.12 0.00 0.63 -0.75 4.76 4.52 2r5iE1 ASN 124 HB2 -0.19 0.02 0.09 -0.04 2.88 2.76 2r5iE1 ASN 124 HB3 -0.27 -0.02 0.28 -0.04 2.79 2.74 2r5iE1 ASN 124 HD21 -0.07 0.35 0.05 -0.04 7.03 7.32 2r5iE1 ASN 124 HD22 -0.10 -0.06 0.02 -0.04 7.74 7.56 2r5iE1 LYS 125 H -0.09 0.38 0.12 -0.55 8.42 8.28 2r5iE1 LYS 125 HA -0.09 0.22 0.70 -0.75 4.32 4.40 2r5iE1 LYS 125 HB2 -0.12 -0.00 -0.29 -0.04 1.87 1.42 2r5iE1 LYS 125 HB3 -0.28 0.05 0.07 -0.04 1.79 1.58 2r5iE1 LYS 125 HG2 -0.83 -0.05 -0.28 -0.04 1.46 0.25 2r5iE1 LYS 125 HG3 -2.38 -0.00 -0.13 -0.04 1.46 -1.10 2r5iE1 LYS 125 HD2 -1.33 -0.04 -0.13 -0.04 1.69 0.15 2r5iE1 LYS 125 HD3 -0.68 0.02 -0.12 -0.04 1.68 0.87 2r5iE1 LYS 125 HE2 -0.27 0.16 -0.21 -0.04 2.99 2.63 2r5iE1 LYS 125 HE3 -0.32 -0.13 -0.29 -0.04 2.99 2.20 2r5iE1 LEU 126 H -0.01 0.46 -0.01 -0.55 8.37 8.27 2r5iE1 LEU 126 HA -0.03 0.10 0.45 -0.75 4.35 4.11 2r5iE1 LEU 126 HB2 -0.01 -0.01 -0.43 -0.04 1.64 1.15 2r5iE1 LEU 126 HB3 0.04 -0.24 0.04 -0.04 1.64 1.44 2r5iE1 LEU 126 HG 0.02 0.01 -0.25 -0.04 1.64 1.38 2r5iE1 LEU 126 HD13 -0.02 0.00 -0.10 -0.04 0.93 0.77 2r5iE1 LEU 126 HD23 -0.00 0.03 -0.10 -0.04 0.89 0.78 2r5iE1 ASP 127 H 0.08 0.06 0.11 -0.55 8.40 8.11 2r5iE1 ASP 127 HA 0.04 0.22 0.40 -0.75 4.63 4.54 2r5iE1 ASP 127 HB2 0.10 0.04 0.09 -0.04 2.71 2.89 2r5iE1 ASP 127 HB3 0.05 0.09 0.04 -0.04 2.70 2.84 2r5iE1 ASP 128 H 0.17 0.17 0.15 -0.55 8.40 8.35 2r5iE1 ASP 128 HA 0.52 0.24 0.83 -0.75 4.63 5.47 2r5iE1 ASP 128 HB2 0.29 0.07 0.14 -0.04 2.71 3.17 2r5iE1 ASP 128 HB3 0.17 -0.01 0.25 -0.04 2.70 3.07 2r5iE1 THR 129 H 0.31 0.52 0.21 -0.55 8.28 8.77 2r5iE1 THR 129 HA 0.16 0.22 0.80 -0.75 4.39 4.81 2r5iE1 THR 129 HB 0.17 0.05 0.11 -0.04 4.32 4.60 2r5iE1 THR 129 HG23 0.33 0.03 -0.20 -0.04 1.22 1.34 2r5iE1 GLU 130 H 0.12 -0.01 -0.30 -0.55 8.60 7.86 2r5iE1 GLU 130 HA 0.17 0.17 0.63 -0.75 4.29 4.51 2r5iE1 GLU 130 HB2 -0.28 -0.12 0.14 -0.04 2.09 1.79 2r5iE1 GLU 130 HB3 -0.13 -0.03 0.01 -0.04 1.99 1.80 2r5iE1 GLU 130 HG2 -0.31 0.05 -0.09 -0.04 2.34 1.94 2r5iE1 GLU 130 HG3 -1.23 0.02 0.02 -0.04 2.34 1.10 2r5iE1 SER 131 H 0.03 -0.09 -0.07 -0.55 8.46 7.79 2r5iE1 SER 131 HA 0.01 0.16 0.22 -0.75 4.49 4.13 2r5iE1 SER 131 HB2 -0.04 0.03 0.14 -0.04 3.95 4.03 2r5iE1 SER 131 HB3 -0.05 0.18 -0.12 -0.04 3.93 3.90 2r5iE1 SER 132 H 0.07 0.08 0.04 -0.55 8.46 8.10 2r5iE1 SER 132 HA 0.08 -0.12 0.51 -0.75 4.49 4.21 2r5iE1 SER 132 HB2 0.09 0.13 0.14 -0.04 3.95 4.27 2r5iE1 SER 132 HB3 0.10 0.16 0.29 -0.04 3.93 4.45 2r5iE1 HIS 133 H 0.15 0.01 0.23 -0.55 8.41 8.26 2r5iE1 HIS 133 HA 0.02 0.08 0.41 -0.75 4.63 4.38 2r5iE1 HIS 133 HB2 0.03 -0.05 0.19 -0.04 3.26 3.40 2r5iE1 HIS 133 HB3 0.02 -0.01 0.01 -0.04 3.20 3.17 2r5iE1 HIS 133 HD2 0.02 -0.02 0.06 -0.04 6.97 6.99 2r5iE1 HIS 133 HE1 0.01 -0.01 0.03 -0.04 7.75 7.73 2r5iE1 ALA 134 H 0.12 0.08 -0.32 -0.55 8.40 7.74 2r5iE1 ALA 134 HA 0.06 0.14 0.24 -0.75 4.34 4.03 2r5iE1 ALA 134 HB3 0.06 -0.02 0.09 -0.04 1.41 1.50 2r5iE1 ALA 135 H 0.04 0.05 0.07 -0.55 8.40 8.01 2r5iE1 ALA 135 HA 0.05 0.11 0.45 -0.75 4.34 4.20 2r5iE1 ALA 135 HB3 0.03 -0.00 0.13 -0.04 1.41 1.53 2r5iE1 THR 136 H 0.03 0.26 0.16 -0.55 8.28 8.18 2r5iE1 THR 136 HA 0.04 0.11 0.61 -0.75 4.39 4.39 2r5iE1 THR 136 HB 0.05 -0.09 0.12 -0.04 4.32 4.35 2r5iE1 THR 136 HG23 0.08 -0.00 -0.21 -0.04 1.22 1.04 2r5iE1 SER 137 H 0.02 0.11 0.10 -0.55 8.46 8.15 2r5iE1 SER 137 HA 0.01 0.04 0.43 -0.75 4.49 4.22 2r5iE1 SER 137 HB2 0.00 -0.01 0.15 -0.04 3.95 4.06 2r5iE1 SER 137 HB3 0.01 0.01 0.15 -0.04 3.93 4.06 2r5iE1 ASN 138 H 0.00 0.09 0.17 -0.55 8.53 8.24 2r5iE1 ASN 138 HA 0.00 0.15 0.76 -0.75 4.76 4.92 2r5iE1 ASN 138 HB2 0.00 0.05 0.14 -0.04 2.88 3.03 2r5iE1 ASN 138 HB3 -0.00 -0.02 0.17 -0.04 2.79 2.90 2r5iE1 ASN 138 HD21 -0.00 0.07 -0.03 -0.04 7.03 7.03 2r5iE1 ASN 138 HD22 0.00 0.03 0.09 -0.04 7.74 7.82 2r5iE1 VAL 139 H -0.00 0.22 0.08 -0.55 8.24 7.99 2r5iE1 VAL 139 HA -0.01 0.10 0.51 -0.75 4.13 3.98 2r5iE1 VAL 139 HB -0.01 0.05 0.13 -0.04 2.12 2.24 2r5iE1 VAL 139 HG13 -0.02 0.02 0.06 -0.04 0.97 0.99 2r5iE1 VAL 139 HG23 -0.01 0.01 0.07 -0.04 0.95 0.97 2r5iE1 SER 140 H -0.01 0.10 -1.17 -0.55 8.46 6.84 2r5iE1 SER 140 HA -0.01 0.08 0.41 -0.75 4.49 4.22 2r5iE1 SER 140 HB2 -0.01 0.03 0.01 -0.04 3.95 3.94 2r5iE1 SER 140 HB3 -0.01 -0.07 0.03 -0.04 3.93 3.84 2r5iE1 GLU 141 H -0.02 0.06 -0.08 -0.55 8.60 8.02 2r5iE1 GLU 141 HA -0.02 0.20 0.49 -0.75 4.29 4.20 2r5iE1 GLU 141 HB2 -0.02 0.22 -0.41 -0.04 2.09 1.83 2r5iE1 GLU 141 HB3 -0.02 -0.08 -0.23 -0.04 1.99 1.62 2r5iE1 GLU 141 HG2 -0.04 0.04 -1.05 -0.04 2.34 1.25 2r5iE1 GLU 141 HG3 -0.03 0.02 -0.07 -0.04 2.34 2.22 2r5iE1 ASP 142 H -0.02 0.25 -0.03 -0.55 8.40 8.05 2r5iE1 ASP 142 HA -0.04 0.12 0.53 -0.75 4.63 4.48 2r5iE1 ASP 142 HB2 -0.05 0.07 -0.03 -0.04 2.71 2.66 2r5iE1 ASP 142 HB3 -0.04 -0.01 0.20 -0.04 2.70 2.81 2r5iE1 VAL 143 H -0.03 0.19 -0.07 -0.55 8.24 7.78 2r5iE1 VAL 143 HA -0.01 0.20 0.75 -0.75 4.13 4.31 2r5iE1 VAL 143 HB -0.03 -0.01 0.06 -0.04 2.12 2.10 2r5iE1 VAL 143 HG13 -0.02 0.03 0.18 -0.04 0.97 1.11 2r5iE1 VAL 143 HG23 -0.01 -0.03 -0.15 -0.04 0.95 0.71 2r5iE1 ARG 144 H 0.00 -0.02 -0.12 -0.55 8.46 7.77 2r5iE1 ARG 144 HA -0.01 0.13 0.54 -0.75 4.34 4.25 2r5iE1 ARG 144 HB2 0.14 -0.07 0.01 -0.04 1.90 1.95 2r5iE1 ARG 144 HB3 0.11 0.12 -0.29 -0.04 1.80 1.71 2r5iE1 ARG 144 HG2 -0.04 -0.01 -0.09 -0.04 1.67 1.49 2r5iE1 ARG 144 HG3 -0.03 -0.23 0.02 -0.04 1.67 1.40 2r5iE1 ARG 144 HD2 0.02 0.30 0.00 -0.04 3.22 3.50 2r5iE1 ARG 144 HD3 -0.06 -0.05 -0.03 -0.04 3.22 3.05 2r5iE1 ASP 145 H -0.01 0.43 0.24 -0.55 8.40 8.52 2r5iE1 ASP 145 HA 0.00 0.14 0.88 -0.75 4.63 4.90 2r5iE1 ASP 145 HB2 -0.14 -0.02 -0.01 -0.04 2.71 2.49 2r5iE1 ASP 145 HB3 -0.09 -0.01 0.00 -0.04 2.70 2.56 2r5iE1 ASN 146 H -0.05 0.10 0.16 -0.55 8.53 8.20 2r5iE1 ASN 146 HA -0.06 0.22 0.63 -0.75 4.76 4.79 2r5iE1 ASN 146 HB2 -0.11 0.09 0.17 -0.04 2.88 2.99 2r5iE1 ASN 146 HB3 -0.07 -0.06 0.20 -0.04 2.79 2.82 2r5iE1 ASN 146 HD21 -0.07 -0.03 -0.10 -0.04 7.03 6.78 2r5iE1 ASN 146 HD22 -0.10 0.01 0.00 -0.04 7.74 7.62 2r5iE1 VAL 147 H -0.07 0.37 0.35 -0.55 8.24 8.34 2r5iE1 VAL 147 HA -0.12 0.20 0.89 -0.75 4.13 4.33 2r5iE1 VAL 147 HB -0.24 0.04 0.12 -0.04 2.12 1.99 2r5iE1 VAL 147 HG13 -0.41 0.06 -0.31 -0.04 0.97 0.26 2r5iE1 VAL 147 HG23 -0.77 -0.01 -0.16 -0.04 0.95 -0.03 2r5iE1 SER 148 H -0.08 0.24 0.21 -0.55 8.46 8.29 2r5iE1 SER 148 HA -0.12 0.19 0.99 -0.75 4.49 4.80 2r5iE1 SER 148 HB2 -0.08 -0.06 -0.09 -0.04 3.95 3.67 2r5iE1 SER 148 HB3 -0.07 -0.01 -0.23 -0.04 3.93 3.58 2r5iE1 VAL 149 H -0.16 0.30 0.39 -0.55 8.24 8.23 2r5iE1 VAL 149 HA -0.04 0.07 0.68 -0.75 4.13 4.08 2r5iE1 VAL 149 HB 0.03 0.09 -0.34 -0.04 2.12 1.86 2r5iE1 VAL 149 HG13 -0.04 0.01 -0.08 -0.04 0.97 0.82 2r5iE1 VAL 149 HG23 0.03 0.01 -0.03 -0.04 0.95 0.93 2r5iE1 ASP 150 H -0.06 0.22 0.21 -0.55 8.40 8.22 2r5iE1 ASP 150 HA -0.10 0.18 0.92 -0.75 4.63 4.87 2r5iE1 ASP 150 HB2 0.04 0.05 0.14 -0.04 2.71 2.90 2r5iE1 ASP 150 HB3 -0.01 -0.09 0.07 -0.04 2.70 2.63 2r5iE1 TYR 151 H -0.08 0.12 0.17 -0.55 8.29 7.96 2r5iE1 TYR 151 HA -0.10 0.11 0.24 -0.75 4.56 4.06 2r5iE1 TYR 151 HB2 -0.86 0.01 0.11 -0.04 3.06 2.28 2r5iE1 TYR 151 HB3 -0.29 -0.01 0.29 -0.04 2.98 2.94 2r5iE1 TYR 151 HD2 -0.99 0.06 -0.04 -0.04 7.15 6.14 2r5iE1 TYR 151 HE2 -0.07 -0.00 -0.06 -0.04 6.85 6.68 2r5iE1 LYS 152 H 0.07 0.53 0.24 -0.55 8.42 8.70 2r5iE1 LYS 152 HA 0.05 -0.03 0.31 -0.75 4.32 3.90 2r5iE1 LYS 152 HB2 0.00 -0.06 -0.02 -0.04 1.87 1.75 2r5iE1 LYS 152 HB3 0.01 0.08 -0.20 -0.04 1.79 1.64 2r5iE1 LYS 152 HG2 0.09 -0.01 -0.54 -0.04 1.46 0.96 2r5iE1 LYS 152 HG3 0.06 0.07 -0.11 -0.04 1.46 1.43 2r5iE1 LYS 152 HD2 0.00 -0.04 -0.18 -0.04 1.69 1.43 2r5iE1 LYS 152 HD3 0.02 0.04 -0.25 -0.04 1.68 1.45 2r5iE1 LYS 152 HE2 0.07 0.03 -0.12 -0.04 2.99 2.93 2r5iE1 LYS 152 HE3 0.02 -0.02 -0.13 -0.04 2.99 2.81 2r5iE1 GLN 153 H 0.09 0.41 0.37 -0.55 8.47 8.80 2r5iE1 GLN 153 HA 0.18 0.17 0.74 -0.75 4.36 4.69 2r5iE1 GLN 153 HB2 0.11 0.05 0.04 -0.04 2.15 2.31 2r5iE1 GLN 153 HB3 0.09 0.01 0.22 -0.04 2.02 2.30 2r5iE1 GLN 153 HG2 0.07 -0.02 -0.32 -0.04 2.40 2.09 2r5iE1 GLN 153 HG3 0.08 -0.00 -0.11 -0.04 2.39 2.32 2r5iE1 GLN 153 HE21 0.04 0.01 -0.00 -0.04 6.97 6.98 2r5iE1 GLN 153 HE22 0.04 0.00 -0.11 -0.04 7.69 7.58 2r5iE1 THR 154 H 0.13 0.20 0.22 -0.55 8.28 8.29 2r5iE1 THR 154 HA 0.09 0.21 1.16 -0.75 4.39 5.09 2r5iE1 THR 154 HB 0.11 -0.05 -0.07 -0.04 4.32 4.27 2r5iE1 THR 154 HG23 0.13 -0.02 -0.15 -0.04 1.22 1.14 2r5iE1 GLN 155 H 0.05 0.70 0.36 -0.55 8.47 9.03 2r5iE1 GLN 155 HA 0.14 0.27 0.70 -0.75 4.36 4.72 2r5iE1 GLN 155 HB2 -0.12 -0.02 0.12 -0.04 2.15 2.09 2r5iE1 GLN 155 HB3 -0.14 0.01 0.17 -0.04 2.02 2.02 2r5iE1 GLN 155 HG2 0.07 -0.09 0.05 -0.04 2.40 2.39 2r5iE1 GLN 155 HG3 0.01 0.03 -0.22 -0.04 2.39 2.17 2r5iE1 GLN 155 HE21 -0.06 0.28 0.21 -0.04 6.97 7.35 2r5iE1 GLN 155 HE22 -0.02 -0.02 -0.02 -0.04 7.69 7.58 2r5iE1 LEU 156 H 0.24 0.64 0.42 -0.55 8.37 9.13 2r5iE1 LEU 156 HA 0.08 0.45 0.90 -0.75 4.35 5.02 2r5iE1 LEU 156 HB2 0.16 0.04 0.20 -0.04 1.64 2.00 2r5iE1 LEU 156 HB3 0.13 -0.05 -0.18 -0.04 1.64 1.49 2r5iE1 LEU 156 HG 0.14 -0.09 -0.08 -0.04 1.64 1.57 2r5iE1 LEU 156 HD13 0.18 0.00 -0.29 -0.04 0.93 0.79 2r5iE1 LEU 156 HD23 0.11 -0.01 -0.12 -0.04 0.89 0.83 2r5iE1 CYS 157 H 0.12 0.48 0.37 -0.55 8.50 8.93 2r5iE1 CYS 157 HA 0.23 0.42 1.09 -0.75 4.58 5.57 2r5iE1 CYS 157 HB2 0.54 0.04 -0.11 -0.04 2.97 3.39 2r5iE1 CYS 157 HB3 0.17 -0.02 0.07 -0.04 2.97 3.14 2r5iE1 ILE 158 H 0.17 0.60 0.41 -0.55 8.25 8.88 2r5iE1 ILE 158 HA 0.17 0.30 1.18 -0.75 4.18 5.07 2r5iE1 ILE 158 HB 0.07 -0.10 0.16 -0.04 1.89 1.98 2r5iE1 ILE 158 HG12 0.11 0.07 -0.21 -0.04 1.49 1.42 2r5iE1 ILE 158 HG13 0.10 -0.03 -0.25 -0.04 1.21 0.99 2r5iE1 ILE 158 HG23 0.02 0.02 0.05 -0.04 0.93 0.99 2r5iE1 ILE 158 HD13 -0.09 -0.02 -0.08 -0.04 0.88 0.65 2r5iE1 LEU 159 H 0.27 0.39 0.33 -0.55 8.37 8.82 2r5iE1 LEU 159 HA 0.12 0.54 1.72 -0.75 4.35 5.97 2r5iE1 LEU 159 HB2 0.43 -0.08 -0.03 -0.04 1.64 1.92 2r5iE1 LEU 159 HB3 0.35 0.03 -0.03 -0.04 1.64 1.95 2r5iE1 LEU 159 HG 0.08 -0.04 -0.19 -0.04 1.64 1.44 2r5iE1 LEU 159 HD13 0.11 0.00 -0.12 -0.04 0.93 0.88 2r5iE1 LEU 159 HD23 0.16 0.03 -0.18 -0.04 0.89 0.86 2r5iE1 GLY 160 H -0.06 0.51 0.36 -0.55 8.43 8.69 2r5iE1 GLY 160 HA2 -1.66 -0.05 0.49 -0.51 4.01 2.29 2r5iE1 GLY 160 HA3 -0.41 0.34 0.12 -0.51 4.01 3.56 2r5iE1 CYS 161 H -0.11 0.32 0.17 -0.55 8.50 8.33 2r5iE1 CYS 161 HA 0.21 0.08 0.86 -0.75 4.58 4.98 2r5iE1 CYS 161 HB2 0.26 0.10 0.18 -0.04 2.97 3.47 2r5iE1 CYS 161 HB3 0.25 0.03 0.08 -0.04 2.97 3.28 2r5iE1 ALA 162 H 0.00 0.34 -0.48 -0.55 8.40 7.71 2r5iE1 ALA 162 HA -0.26 0.08 0.35 -0.75 4.34 3.75 2r5iE1 ALA 162 HB3 -0.04 -0.00 -0.18 -0.04 1.41 1.15 2r5iE1 PRO 163 HA -0.75 0.02 0.41 -0.51 4.44 3.61 2r5iE1 PRO 163 HB2 -0.39 0.10 0.02 -0.04 2.28 1.96 2r5iE1 PRO 163 HB3 -1.57 0.02 0.01 -0.04 2.02 0.43 2r5iE1 PRO 163 HG2 -0.50 0.02 -0.03 -0.04 2.03 1.48 2r5iE1 PRO 163 HG3 -0.75 0.04 -0.02 -0.04 2.03 1.25 2r5iE1 PRO 163 HD2 -0.98 0.08 0.11 -0.04 3.68 2.85 2r5iE1 PRO 163 HD3 -2.39 0.12 0.04 -0.04 3.65 1.37 2r5iE1 ALA 164 H -0.21 0.07 0.12 -0.55 8.40 7.84 2r5iE1 ALA 164 HA -0.16 0.20 0.73 -0.75 4.34 4.35 2r5iE1 ALA 164 HB3 -0.13 0.00 0.04 -0.04 1.41 1.29 2r5iE1 ILE 165 H -0.14 0.13 0.11 -0.55 8.25 7.80 2r5iE1 ILE 165 HA -0.12 0.28 0.94 -0.75 4.18 4.53 2r5iE1 ILE 165 HB -0.10 -0.06 0.10 -0.04 1.89 1.79 2r5iE1 ILE 165 HG12 -0.06 -0.01 -0.12 -0.04 1.49 1.26 2r5iE1 ILE 165 HG13 -0.09 0.08 -0.21 -0.04 1.21 0.95 2r5iE1 ILE 165 HG23 -0.09 -0.02 -0.26 -0.04 0.93 0.53 2r5iE1 ILE 165 HD13 -0.09 -0.00 -0.21 -0.04 0.88 0.54 2r5iE1 GLY 166 H -0.11 0.71 0.31 -0.55 8.43 8.80 2r5iE1 GLY 166 HA2 -0.13 -0.00 1.10 -0.51 4.01 4.47 2r5iE1 GLY 166 HA3 -0.11 0.03 0.17 -0.51 4.01 3.59 2r5iE1 GLU 167 H 0.01 0.65 0.30 -0.55 8.60 9.02 2r5iE1 GLU 167 HA -0.10 0.42 0.92 -0.75 4.29 4.77 2r5iE1 GLU 167 HB2 -0.21 -0.02 -0.05 -0.04 2.09 1.77 2r5iE1 GLU 167 HB3 -0.09 -0.08 -0.12 -0.04 1.99 1.67 2r5iE1 GLU 167 HG2 0.07 0.18 -0.00 -0.04 2.34 2.55 2r5iE1 GLU 167 HG3 0.07 -0.02 -0.20 -0.04 2.34 2.15 2r5iE1 HIS 168 H -0.37 0.32 0.25 -0.55 8.41 8.06 2r5iE1 HIS 168 HA -0.07 0.13 0.51 -0.75 4.63 4.45 2r5iE1 HIS 168 HB2 0.03 0.08 -0.26 -0.04 3.26 3.07 2r5iE1 HIS 168 HB3 0.00 0.01 -0.37 -0.04 3.20 2.80 2r5iE1 HIS 168 HD2 -0.00 0.20 -0.44 -0.04 6.97 6.68 2r5iE1 HIS 168 HE1 -0.04 0.00 -0.22 -0.04 7.75 7.45 2r5iE1 TRP 169 H 0.28 0.54 0.39 -0.55 7.97 8.63 2r5iE1 TRP 169 HA -0.11 0.16 0.80 -0.75 4.62 4.71 2r5iE1 TRP 169 HB2 -0.03 -0.03 0.14 -0.04 3.23 3.26 2r5iE1 TRP 169 HB3 -0.04 0.01 0.01 -0.04 3.23 3.17 2r5iE1 TRP 169 HD1 0.01 0.21 0.10 -0.04 7.22 7.50 2r5iE1 TRP 169 HE1 0.01 -0.02 -0.04 -0.04 10.20 10.10 2r5iE1 TRP 169 HE3 -0.04 -0.02 -0.34 -0.04 7.59 7.15 2r5iE1 TRP 169 HZ2 0.00 -0.00 -0.06 -0.04 7.44 7.34 2r5iE1 TRP 169 HZ3 -0.02 0.06 -0.17 -0.04 7.13 6.96 2r5iE1 TRP 169 HH2 -0.01 0.02 -0.05 -0.04 7.19 7.11 2r5iE1 ALA 170 H 0.06 0.58 0.40 -0.55 8.40 8.90 2r5iE1 ALA 170 HA 0.11 0.09 0.88 -0.75 4.34 4.67 2r5iE1 ALA 170 HB3 0.02 0.01 -0.08 -0.04 1.41 1.32 2r5iE1 LYS 171 H 0.05 0.13 0.09 -0.55 8.42 8.14 2r5iE1 LYS 171 HA 0.04 0.07 0.44 -0.75 4.32 4.12 2r5iE1 LYS 171 HB2 0.02 0.04 0.02 -0.04 1.87 1.92 2r5iE1 LYS 171 HB3 0.03 -0.06 0.16 -0.04 1.79 1.87 2r5iE1 LYS 171 HG2 0.02 0.24 -0.22 -0.04 1.46 1.46 2r5iE1 LYS 171 HG3 0.01 -0.03 0.01 -0.04 1.46 1.42 2r5iE1 LYS 171 HD2 0.01 -0.07 0.02 -0.04 1.69 1.61 2r5iE1 LYS 171 HD3 0.01 -0.02 -0.01 -0.04 1.68 1.62 2r5iE1 LYS 171 HE2 0.01 -0.03 0.04 -0.04 2.99 2.96 2r5iE1 LYS 171 HE3 0.01 0.18 0.09 -0.04 2.99 3.23 2r5iE1 GLY 172 H 0.04 0.58 0.36 -0.55 8.43 8.86 2r5iE1 GLY 172 HA2 0.02 -0.07 0.29 -0.51 4.01 3.74 2r5iE1 GLY 172 HA3 0.03 0.10 0.23 -0.51 4.01 3.86 2r5iE1 THR 173 H 0.01 0.06 0.09 -0.55 8.28 7.89 2r5iE1 THR 173 HA 0.01 0.08 0.33 -0.75 4.39 4.05 2r5iE1 THR 173 HB 0.00 -0.04 0.06 -0.04 4.32 4.30 2r5iE1 THR 173 HG23 0.00 0.03 -0.04 -0.04 1.22 1.17 2r5iE1 ALA 174 H 0.01 0.12 0.17 -0.55 8.40 8.15 2r5iE1 ALA 174 HA 0.01 0.04 0.44 -0.75 4.34 4.07 2r5iE1 ALA 174 HB3 0.00 0.00 0.10 -0.04 1.41 1.47 2r5iE1 SER 175 H 0.00 0.13 0.17 -0.55 8.46 8.22 2r5iE1 SER 175 HA 0.00 0.04 0.42 -0.75 4.49 4.19 2r5iE1 SER 175 HB2 0.00 -0.19 0.12 -0.04 3.95 3.84 2r5iE1 SER 175 HB3 0.00 0.08 0.13 -0.04 3.93 4.10 2r5iE1 LYS 176 H 0.00 0.07 0.14 -0.55 8.42 8.08 2r5iE1 LYS 176 HA 0.00 0.17 0.52 -0.75 4.32 4.25 2r5iE1 LYS 176 HB2 -0.00 0.02 0.01 -0.04 1.87 1.86 2r5iE1 LYS 176 HB3 -0.00 0.05 0.06 -0.04 1.79 1.87 2r5iE1 LYS 176 HG2 0.00 -0.02 0.12 -0.04 1.46 1.52 2r5iE1 LYS 176 HG3 0.00 -0.05 0.03 -0.04 1.46 1.40 2r5iE1 LYS 176 HD2 -0.00 0.03 0.01 -0.04 1.69 1.68 2r5iE1 LYS 176 HD3 -0.00 -0.00 0.01 -0.04 1.68 1.64 2r5iE1 LYS 176 HE2 -0.00 -0.00 -0.02 -0.04 2.99 2.93 2r5iE1 LYS 176 HE3 -0.00 -0.01 -0.05 -0.04 2.99 2.89 2r5iE1 SER 177 H 0.00 -0.05 -0.00 -0.55 8.46 7.87 2r5iE1 SER 177 HA 0.00 0.11 0.51 -0.75 4.49 4.35 2r5iE1 SER 177 HB2 0.00 0.05 0.01 -0.04 3.95 3.96 2r5iE1 SER 177 HB3 0.00 -0.02 0.09 -0.04 3.93 3.96 2r5iE1 ARG 178 H 0.00 -0.03 -0.24 -0.55 8.46 7.63 2r5iE1 ARG 178 HA 0.00 0.25 0.79 -0.75 4.34 4.62 2r5iE1 ARG 178 HB2 0.00 -0.11 -0.03 -0.04 1.90 1.72 2r5iE1 ARG 178 HB3 0.00 -0.02 0.14 -0.04 1.80 1.88 2r5iE1 ARG 178 HG2 0.00 0.03 0.01 -0.04 1.67 1.67 2r5iE1 ARG 178 HG3 0.00 -0.06 -0.01 -0.04 1.67 1.57 2r5iE1 ARG 178 HD2 0.00 -0.04 -0.10 -0.04 3.22 3.04 2r5iE1 ARG 178 HD3 -0.00 0.21 -0.12 -0.04 3.22 3.27 2r5iE1 PRO 179 HA 0.00 0.21 0.31 -0.51 4.44 4.45 2r5iE1 PRO 179 HB2 -0.00 -0.01 -0.05 -0.04 2.28 2.17 2r5iE1 PRO 179 HB3 -0.00 0.06 0.02 -0.04 2.02 2.05 2r5iE1 PRO 179 HG2 -0.00 -0.03 -0.10 -0.04 2.03 1.85 2r5iE1 PRO 179 HG3 -0.00 0.02 -0.03 -0.04 2.03 1.98 2r5iE1 PRO 179 HD2 -0.00 0.05 0.08 -0.04 3.68 3.77 2r5iE1 PRO 179 HD3 -0.00 0.25 -0.20 -0.04 3.65 3.66 2r5iE1 LEU 180 H 0.00 0.15 0.10 -0.55 8.37 8.07 2r5iE1 LEU 180 HA -0.00 0.15 0.79 -0.75 4.35 4.53 2r5iE1 LEU 180 HB2 0.00 -0.03 0.04 -0.04 1.64 1.61 2r5iE1 LEU 180 HB3 -0.00 -0.03 0.07 -0.04 1.64 1.64 2r5iE1 LEU 180 HG -0.00 0.09 -0.22 -0.04 1.64 1.47 2r5iE1 LEU 180 HD13 -0.00 0.01 -0.08 -0.04 0.93 0.82 2r5iE1 LEU 180 HD23 0.00 -0.01 -0.16 -0.04 0.89 0.68 2r5iE1 SER 181 H -0.00 0.14 0.08 -0.55 8.46 8.13 2r5iE1 SER 181 HA -0.00 0.02 0.44 -0.75 4.49 4.19 2r5iE1 SER 181 HB2 -0.00 0.05 0.04 -0.04 3.95 3.99 2r5iE1 SER 181 HB3 -0.00 0.01 0.07 -0.04 3.93 3.97 2r5iE1 GLN 182 H -0.00 0.07 0.17 -0.55 8.47 8.16 2r5iE1 GLN 182 HA -0.00 0.04 0.45 -0.75 4.36 4.09 2r5iE1 GLN 182 HB2 -0.00 0.01 0.16 -0.04 2.15 2.28 2r5iE1 GLN 182 HB3 -0.01 -0.02 0.14 -0.04 2.02 2.10 2r5iE1 GLN 182 HG2 -0.01 -0.01 0.02 -0.04 2.40 2.36 2r5iE1 GLN 182 HG3 -0.01 0.02 -0.08 -0.04 2.39 2.28 2r5iE1 GLN 182 HE21 -0.00 0.03 0.03 -0.04 6.97 6.98 2r5iE1 GLN 182 HE22 -0.01 -0.01 0.01 -0.04 7.69 7.65 2r5iE1 GLY 183 H -0.01 0.18 0.19 -0.55 8.43 8.25 2r5iE1 GLY 183 HA2 -0.01 -0.02 0.33 -0.51 4.01 3.80 2r5iE1 GLY 183 HA3 -0.01 0.13 0.68 -0.51 4.01 4.30 2r5iE1 ASP 184 H -0.01 0.33 -0.13 -0.55 8.40 8.05 2r5iE1 ASP 184 HA -0.01 0.06 0.54 -0.75 4.63 4.47 2r5iE1 ASP 184 HB2 -0.00 0.12 -0.03 -0.04 2.71 2.75 2r5iE1 ASP 184 HB3 -0.01 0.00 0.01 -0.04 2.70 2.66 2r5iE1 CYS 185 H -0.01 0.09 0.14 -0.55 8.50 8.17 2r5iE1 CYS 185 HA -0.01 0.14 0.40 -0.75 4.58 4.36 2r5iE1 CYS 185 HB2 -0.02 -0.05 0.08 -0.04 2.97 2.94 2r5iE1 CYS 185 HB3 -0.02 -0.07 0.13 -0.04 2.97 2.98 2r5iE1 PRO 186 HA 0.00 0.08 0.42 -0.51 4.44 4.43 2r5iE1 PRO 186 HB2 0.01 0.06 -0.05 -0.04 2.28 2.26 2r5iE1 PRO 186 HB3 0.01 0.03 0.08 -0.04 2.02 2.09 2r5iE1 PRO 186 HG2 0.00 -0.04 -0.04 -0.04 2.03 1.91 2r5iE1 PRO 186 HG3 0.00 0.07 0.07 -0.04 2.03 2.13 2r5iE1 PRO 186 HD2 -0.01 0.04 0.22 -0.04 3.68 3.89 2r5iE1 PRO 186 HD3 -0.01 0.27 0.26 -0.04 3.65 4.13 2r5iE1 PRO 187 HA 0.01 0.10 0.68 -0.51 4.44 4.71 2r5iE1 PRO 187 HB2 0.03 0.05 0.01 -0.04 2.28 2.32 2r5iE1 PRO 187 HB3 0.01 0.04 0.06 -0.04 2.02 2.09 2r5iE1 PRO 187 HG2 0.03 -0.08 0.03 -0.04 2.03 1.97 2r5iE1 PRO 187 HG3 0.01 0.04 0.00 -0.04 2.03 2.05 2r5iE1 PRO 187 HD2 0.01 0.14 0.16 -0.04 3.68 3.94 2r5iE1 PRO 187 HD3 0.01 0.16 0.15 -0.04 3.65 3.92 2r5iE1 LEU 188 H 0.02 0.11 0.17 -0.55 8.37 8.12 2r5iE1 LEU 188 HA 0.13 0.23 0.70 -0.75 4.35 4.65 2r5iE1 LEU 188 HB2 -0.01 -0.03 0.10 -0.04 1.64 1.65 2r5iE1 LEU 188 HB3 0.35 -0.04 0.01 -0.04 1.64 1.93 2r5iE1 LEU 188 HG -0.23 -0.02 -0.03 -0.04 1.64 1.32 2r5iE1 LEU 188 HD13 0.02 0.01 -0.17 -0.04 0.93 0.75 2r5iE1 LEU 188 HD23 -0.07 -0.01 0.01 -0.04 0.89 0.78 2r5iE1 GLU 189 H 0.19 0.58 0.37 -0.55 8.60 9.20 2r5iE1 GLU 189 HA 0.16 0.18 0.93 -0.75 4.29 4.81 2r5iE1 GLU 189 HB2 0.05 0.02 -0.14 -0.04 2.09 1.98 2r5iE1 GLU 189 HB3 0.01 0.02 -0.04 -0.04 1.99 1.94 2r5iE1 GLU 189 HG2 -0.08 0.09 -0.29 -0.04 2.34 2.02 2r5iE1 GLU 189 HG3 -0.01 -0.00 0.04 -0.04 2.34 2.33 2r5iE1 LEU 190 H -0.20 0.15 0.11 -0.55 8.37 7.89 2r5iE1 LEU 190 HA -1.06 0.11 0.56 -0.75 4.35 3.21 2r5iE1 LEU 190 HB2 -1.13 -0.00 0.06 -0.04 1.64 0.53 2r5iE1 LEU 190 HB3 -0.41 -0.00 0.14 -0.04 1.64 1.33 2r5iE1 LEU 190 HG -0.56 0.04 -0.27 -0.04 1.64 0.82 2r5iE1 LEU 190 HD13 -1.14 0.00 -0.15 -0.04 0.93 -0.40 2r5iE1 LEU 190 HD23 -0.25 -0.01 -0.07 -0.04 0.89 0.51 2r5iE1 LYS 191 H -0.63 0.69 0.39 -0.55 8.42 8.32 2r5iE1 LYS 191 HA -0.24 0.31 1.52 -0.75 4.32 5.15 2r5iE1 LYS 191 HB2 -0.58 0.02 0.01 -0.04 1.87 1.28 2r5iE1 LYS 191 HB3 -0.21 0.07 -0.23 -0.04 1.79 1.37 2r5iE1 LYS 191 HG2 -0.12 0.01 -0.04 -0.04 1.46 1.27 2r5iE1 LYS 191 HG3 -0.16 -0.03 -0.26 -0.04 1.46 0.97 2r5iE1 LYS 191 HD2 -0.06 -0.03 -0.12 -0.04 1.69 1.44 2r5iE1 LYS 191 HD3 -0.04 0.02 -0.09 -0.04 1.68 1.54 2r5iE1 LYS 191 HE2 -0.04 -0.01 -0.07 -0.04 2.99 2.84 2r5iE1 LYS 191 HE3 -0.04 -0.01 -0.13 -0.04 2.99 2.76 2r5iE1 ASN 192 H -0.13 0.12 0.16 -0.55 8.53 8.14 2r5iE1 ASN 192 HA -0.10 0.32 0.89 -0.75 4.76 5.11 2r5iE1 ASN 192 HB2 -0.08 -0.02 0.13 -0.04 2.88 2.87 2r5iE1 ASN 192 HB3 -0.06 -0.00 -0.04 -0.04 2.79 2.64 2r5iE1 ASN 192 HD21 -0.07 -0.04 -0.05 -0.04 7.03 6.82 2r5iE1 ASN 192 HD22 -0.06 0.02 -0.01 -0.04 7.74 7.65 2r5iE1 THR 193 H -0.05 0.52 0.31 -0.55 8.28 8.51 2r5iE1 THR 193 HA -0.03 0.09 0.63 -0.75 4.39 4.33 2r5iE1 THR 193 HB 0.03 0.09 -0.24 -0.04 4.32 4.16 2r5iE1 THR 193 HG23 0.07 0.00 -0.27 -0.04 1.22 0.98 2r5iE1 VAL 194 H -0.04 0.14 0.09 -0.55 8.24 7.88 2r5iE1 VAL 194 HA -0.09 0.15 0.55 -0.75 4.13 3.98 2r5iE1 VAL 194 HB -0.05 -0.04 0.06 -0.04 2.12 2.06 2r5iE1 VAL 194 HG13 -0.05 0.03 -0.27 -0.04 0.97 0.63 2r5iE1 VAL 194 HG23 -0.03 0.01 -0.05 -0.04 0.95 0.84 2r5iE1 LEU 195 H -0.14 0.59 0.20 -0.55 8.37 8.47 2r5iE1 LEU 195 HA -0.20 0.04 0.41 -0.75 4.35 3.84 2r5iE1 LEU 195 HB2 -0.20 -0.03 0.05 -0.04 1.64 1.42 2r5iE1 LEU 195 HB3 -0.46 0.02 -0.16 -0.04 1.64 1.00 2r5iE1 LEU 195 HG -0.24 -0.05 -0.29 -0.04 1.64 1.01 2r5iE1 LEU 195 HD13 -0.27 -0.03 -0.34 -0.04 0.93 0.26 2r5iE1 LEU 195 HD23 -0.89 0.01 -0.23 -0.04 0.89 -0.26 2r5iE1 GLU 196 H -0.10 0.16 0.20 -0.55 8.60 8.32 2r5iE1 GLU 196 HA 0.09 0.19 0.77 -0.75 4.29 4.59 2r5iE1 GLU 196 HB2 -0.09 -0.04 -0.04 -0.04 2.09 1.88 2r5iE1 GLU 196 HB3 -0.22 0.19 0.12 -0.04 1.99 2.04 2r5iE1 GLU 196 HG2 -0.25 -0.03 -0.13 -0.04 2.34 1.90 2r5iE1 GLU 196 HG3 -0.11 0.27 -0.03 -0.04 2.34 2.44 2r5iE1 ASP 197 H 0.10 0.39 0.21 -0.55 8.40 8.54 2r5iE1 ASP 197 HA 0.09 0.00 0.23 -0.75 4.63 4.19 2r5iE1 ASP 197 HB2 0.14 0.00 0.26 -0.04 2.71 3.07 2r5iE1 ASP 197 HB3 0.08 0.02 -0.04 -0.04 2.70 2.72 2r5iE1 GLY 198 H 0.11 0.57 0.26 -0.55 8.43 8.83 2r5iE1 GLY 198 HA2 0.09 0.02 0.35 -0.51 4.01 3.96 2r5iE1 GLY 198 HA3 0.05 0.16 0.95 -0.51 4.01 4.65 2r5iE1 ASP 199 H 0.08 0.44 0.03 -0.55 8.40 8.41 2r5iE1 ASP 199 HA 0.08 0.06 0.53 -0.75 4.63 4.54 2r5iE1 ASP 199 HB2 0.04 -0.09 0.03 -0.04 2.71 2.65 2r5iE1 ASP 199 HB3 0.05 0.07 0.08 -0.04 2.70 2.86 2r5iE1 MET 200 H 0.13 0.18 0.29 -0.55 8.47 8.52 2r5iE1 MET 200 HA 0.18 0.26 0.90 -0.75 4.52 5.10 2r5iE1 MET 200 HB2 0.11 -0.08 -0.04 -0.04 2.15 2.09 2r5iE1 MET 200 HB3 0.09 0.08 0.10 -0.04 2.03 2.25 2r5iE1 MET 200 HG2 0.10 -0.10 0.14 -0.04 2.63 2.74 2r5iE1 MET 200 HG3 0.08 -0.00 0.06 -0.04 2.56 2.66 2r5iE1 MET 200 HE3 0.13 -0.02 -0.00 -0.04 2.10 2.16 2r5iE1 VAL 201 H 0.08 0.44 0.20 -0.55 8.24 8.41 2r5iE1 VAL 201 HA 0.22 0.30 0.59 -0.75 4.13 4.48 2r5iE1 VAL 201 HB 0.04 -0.04 -0.04 -0.04 2.12 2.04 2r5iE1 VAL 201 HG13 -0.57 -0.01 -0.15 -0.04 0.97 0.20 2r5iE1 VAL 201 HG23 0.09 0.05 -0.23 -0.04 0.95 0.81 2r5iE1 ASP 202 H 0.18 0.20 0.05 -0.55 8.40 8.28 2r5iE1 ASP 202 HA 0.11 0.10 0.26 -0.75 4.63 4.34 2r5iE1 ASP 202 HB2 0.09 0.05 -0.09 -0.04 2.71 2.73 2r5iE1 ASP 202 HB3 0.09 0.03 0.08 -0.04 2.70 2.87 2r5iE1 THR 203 H -0.11 0.19 0.20 -0.55 8.28 8.01 2r5iE1 THR 203 HA -0.18 0.32 0.82 -0.75 4.39 4.60 2r5iE1 THR 203 HB -1.73 -0.04 0.16 -0.04 4.32 2.67 2r5iE1 THR 203 HG23 -0.74 0.08 -0.04 -0.04 1.22 0.48 2r5iE1 GLY 204 H -0.01 -0.05 -0.19 -0.55 8.43 7.63 2r5iE1 GLY 204 HA2 -0.06 0.04 0.22 -0.51 4.01 3.70 2r5iE1 GLY 204 HA3 -0.11 0.26 0.94 -0.51 4.01 4.60 2r5iE1 TYR 205 H 0.17 -0.02 0.01 -0.55 8.29 7.90 2r5iE1 TYR 205 HA 0.08 0.30 0.82 -0.75 4.56 5.02 2r5iE1 TYR 205 HB2 -0.00 -0.05 0.04 -0.04 3.06 3.00 2r5iE1 TYR 205 HB3 0.23 0.04 0.14 -0.04 2.98 3.35 2r5iE1 TYR 205 HD2 0.02 -0.05 -0.10 -0.04 7.15 6.98 2r5iE1 TYR 205 HE2 0.29 0.03 -0.08 -0.04 6.85 7.05 2r5iE1 GLY 206 H 0.12 -0.17 -0.14 -0.55 8.43 7.70 2r5iE1 GLY 206 HA2 0.08 -0.00 0.21 -0.51 4.01 3.79 2r5iE1 GLY 206 HA3 0.13 0.19 0.35 -0.51 4.01 4.17 2r5iE1 ALA 207 H 0.18 0.14 0.06 -0.55 8.40 8.23 2r5iE1 ALA 207 HA 0.21 0.18 0.81 -0.75 4.34 4.80 2r5iE1 ALA 207 HB3 0.21 0.01 0.15 -0.04 1.41 1.74 2r5iE1 MET 208 H 0.11 0.25 0.21 -0.55 8.47 8.49 2r5iE1 MET 208 HA 0.20 0.10 0.89 -0.75 4.52 4.96 2r5iE1 MET 208 HB2 -0.07 0.00 0.06 -0.04 2.15 2.09 2r5iE1 MET 208 HB3 0.04 0.00 -0.34 -0.04 2.03 1.70 2r5iE1 MET 208 HG2 -0.68 0.06 -0.22 -0.04 2.63 1.74 2r5iE1 MET 208 HG3 -1.37 -0.06 -0.33 -0.04 2.56 0.75 2r5iE1 MET 208 HE3 -0.33 0.00 -0.20 -0.04 2.10 1.53 2r5iE1 ASP 209 H 0.01 0.36 0.13 -0.55 8.40 8.35 2r5iE1 ASP 209 HA -0.02 0.21 0.99 -0.75 4.63 5.06 2r5iE1 ASP 209 HB2 0.15 0.10 0.05 -0.04 2.71 2.97 2r5iE1 ASP 209 HB3 0.07 -0.04 0.28 -0.04 2.70 2.98 2r5iE1 PHE 210 H 0.07 0.46 0.05 -0.55 8.34 8.36 2r5iE1 PHE 210 HA 0.03 -0.01 0.40 -0.75 4.62 4.28 2r5iE1 PHE 210 HB2 0.01 0.23 0.06 -0.04 3.15 3.40 2r5iE1 PHE 210 HB3 -0.01 0.01 0.04 -0.04 3.06 3.06 2r5iE1 PHE 210 HD2 -0.01 0.06 -0.04 -0.04 7.28 7.25 2r5iE1 PHE 210 HE2 0.04 0.01 -0.02 -0.04 7.38 7.37 2r5iE1 PHE 210 HZ 0.09 0.12 -0.21 -0.04 7.32 7.28 2r5iE1 SER 211 H 0.10 0.12 -0.38 -0.55 8.46 7.75 2r5iE1 SER 211 HA 0.08 0.26 0.52 -0.75 4.49 4.59 2r5iE1 SER 211 HB2 0.05 0.05 0.04 -0.04 3.95 4.05 2r5iE1 SER 211 HB3 0.08 -0.02 -0.25 -0.04 3.93 3.70 2r5iE1 THR 212 H 0.03 0.14 -0.26 -0.55 8.28 7.64 2r5iE1 THR 212 HA 0.02 0.28 0.89 -0.75 4.39 4.83 2r5iE1 THR 212 HB 0.02 0.04 0.12 -0.04 4.32 4.45 2r5iE1 THR 212 HG23 0.03 -0.00 -0.13 -0.04 1.22 1.08 2r5iE1 LEU 213 H 0.00 0.17 -0.10 -0.55 8.37 7.90 2r5iE1 LEU 213 HA -0.00 0.23 0.94 -0.75 4.35 4.77 2r5iE1 LEU 213 HB2 -0.06 0.24 0.06 -0.04 1.64 1.84 2r5iE1 LEU 213 HB3 -0.06 -0.01 -0.06 -0.04 1.64 1.47 2r5iE1 LEU 213 HG -0.01 0.03 -0.04 -0.04 1.64 1.57 2r5iE1 LEU 213 HD13 0.02 0.03 -0.25 -0.04 0.93 0.70 2r5iE1 LEU 213 HD23 0.00 -0.03 -0.17 -0.04 0.89 0.65 2r5iE1 GLN 214 H 0.03 0.36 -0.15 -0.55 8.47 8.16 2r5iE1 GLN 214 HA 0.00 0.15 0.87 -0.75 4.36 4.63 2r5iE1 GLN 214 HB2 0.08 0.23 0.27 -0.04 2.15 2.69 2r5iE1 GLN 214 HB3 0.02 -0.20 0.12 -0.04 2.02 1.92 2r5iE1 GLN 214 HG2 0.02 0.11 -0.07 -0.04 2.40 2.42 2r5iE1 GLN 214 HG3 0.03 -0.08 -0.32 -0.04 2.39 1.97 2r5iE1 GLN 214 HE21 0.21 0.05 -0.08 -0.04 6.97 7.11 2r5iE1 GLN 214 HE22 0.08 0.05 -0.06 -0.04 7.69 7.71 2r5iE1 ASP 215 H -0.00 0.21 0.01 -0.55 8.40 8.07 2r5iE1 ASP 215 HA 0.01 0.17 0.35 -0.75 4.63 4.40 2r5iE1 ASP 215 HB2 -0.01 -0.04 0.08 -0.04 2.71 2.70 2r5iE1 ASP 215 HB3 -0.01 0.03 -0.01 -0.04 2.70 2.67 2r5iE1 THR 216 H -0.02 -0.04 -0.29 -0.55 8.28 7.39 2r5iE1 THR 216 HA -0.03 0.12 0.23 -0.75 4.39 3.96 2r5iE1 THR 216 HB -0.05 -0.24 0.07 -0.04 4.32 4.06 2r5iE1 THR 216 HG23 -0.08 0.03 -0.22 -0.04 1.22 0.91 2r5iE1 LYS 217 H -0.01 0.01 -0.05 -0.55 8.42 7.81 2r5iE1 LYS 217 HA 0.04 0.13 0.25 -0.75 4.32 3.98 2r5iE1 LYS 217 HB2 0.04 0.51 0.39 -0.04 1.87 2.77 2r5iE1 LYS 217 HB3 0.09 -0.11 0.23 -0.04 1.79 1.96 2r5iE1 LYS 217 HG2 0.05 -0.04 -0.01 -0.04 1.46 1.41 2r5iE1 LYS 217 HG3 0.03 0.07 -0.35 -0.04 1.46 1.17 2r5iE1 LYS 217 HD2 0.02 0.07 -0.03 -0.04 1.69 1.71 2r5iE1 LYS 217 HD3 0.02 0.00 -0.00 -0.04 1.68 1.67 2r5iE1 LYS 217 HE2 0.04 -0.05 0.02 -0.04 2.99 2.95 2r5iE1 LYS 217 HE3 0.02 0.01 0.02 -0.04 2.99 3.00 2r5iE1 CYS 218 H -0.10 -0.12 -0.03 -0.55 8.50 7.70 2r5iE1 CYS 218 HA -0.62 0.22 0.81 -0.75 4.58 4.24 2r5iE1 CYS 218 HB2 -0.17 -0.06 -0.12 -0.04 2.97 2.58 2r5iE1 CYS 218 HB3 -0.32 0.30 0.10 -0.04 2.97 3.00 2r5iE1 GLU 219 H -0.16 0.09 0.11 -0.55 8.60 8.10 2r5iE1 GLU 219 HA -0.39 0.21 0.82 -0.75 4.29 4.17 2r5iE1 GLU 219 HB2 -0.05 0.04 0.05 -0.04 2.09 2.09 2r5iE1 GLU 219 HB3 -0.08 0.10 0.10 -0.04 1.99 2.07 2r5iE1 GLU 219 HG2 -0.09 -0.34 0.02 -0.04 2.34 1.90 2r5iE1 GLU 219 HG3 -0.03 0.05 0.04 -0.04 2.34 2.37 2r5iE1 VAL 220 H -0.23 0.11 -0.05 -0.55 8.24 7.53 2r5iE1 VAL 220 HA -0.30 0.23 0.56 -0.75 4.13 3.86 2r5iE1 VAL 220 HB -0.71 0.01 -0.01 -0.04 2.12 1.38 2r5iE1 VAL 220 HG13 -0.62 -0.01 -0.29 -0.04 0.97 0.00 2r5iE1 VAL 220 HG23 -0.45 -0.01 -0.28 -0.04 0.95 0.16 2r5iE1 PRO 221 HA 0.12 0.02 0.02 -0.51 4.44 4.10 2r5iE1 PRO 221 HB2 0.10 -0.07 -0.09 -0.04 2.28 2.18 2r5iE1 PRO 221 HB3 -0.10 -0.00 -0.28 -0.04 2.02 1.59 2r5iE1 PRO 221 HG2 0.28 0.07 -0.06 -0.04 2.03 2.27 2r5iE1 PRO 221 HG3 0.08 0.11 -0.13 -0.04 2.03 2.05 2r5iE1 PRO 221 HD2 -0.21 0.07 0.05 -0.04 3.68 3.55 2r5iE1 PRO 221 HD3 -0.02 0.20 0.06 -0.04 3.65 3.84 2r5iE1 LEU 222 H -0.04 0.46 0.25 -0.55 8.37 8.50 2r5iE1 LEU 222 HA 0.02 0.07 0.48 -0.75 4.35 4.17 2r5iE1 LEU 222 HB2 -0.19 0.12 0.31 -0.04 1.64 1.85 2r5iE1 LEU 222 HB3 0.05 0.08 -0.08 -0.04 1.64 1.65 2r5iE1 LEU 222 HG 0.03 0.03 0.07 -0.04 1.64 1.72 2r5iE1 LEU 222 HD13 -0.53 -0.01 0.16 -0.04 0.93 0.51 2r5iE1 LEU 222 HD23 0.01 0.00 0.06 -0.04 0.89 0.93 2r5iE1 ASP 223 H -0.07 0.04 -0.20 -0.55 8.40 7.62 2r5iE1 ASP 223 HA 0.12 0.38 0.75 -0.75 4.63 5.12 2r5iE1 ASP 223 HB2 0.16 0.02 0.17 -0.04 2.71 3.02 2r5iE1 ASP 223 HB3 0.17 0.03 0.25 -0.04 2.70 3.11 2r5iE1 ILE 224 H -0.03 0.28 -0.28 -0.55 8.25 7.68 2r5iE1 ILE 224 HA -0.01 0.18 0.80 -0.75 4.18 4.40 2r5iE1 ILE 224 HB -0.29 -0.06 -0.01 -0.04 1.89 1.49 2r5iE1 ILE 224 HG12 -0.19 0.05 -0.14 -0.04 1.49 1.17 2r5iE1 ILE 224 HG13 -0.53 0.04 -0.46 -0.04 1.21 0.22 2r5iE1 ILE 224 HG23 -0.12 -0.01 -0.26 -0.04 0.93 0.51 2r5iE1 ILE 224 HD13 -0.67 -0.02 -0.10 -0.04 0.88 0.05 2r5iE1 CYS 225 H -0.02 0.10 -0.07 -0.55 8.50 7.96 2r5iE1 CYS 225 HA -0.06 -0.06 0.21 -0.75 4.58 3.92 2r5iE1 CYS 225 HB2 0.08 0.15 -0.14 -0.04 2.97 3.01 2r5iE1 CYS 225 HB3 0.05 0.14 0.17 -0.04 2.97 3.29 2r5iE1 GLN 226 H 0.06 0.15 -0.32 -0.55 8.47 7.82 2r5iE1 GLN 226 HA 0.08 0.19 0.81 -0.75 4.36 4.69 2r5iE1 GLN 226 HB2 0.06 0.01 0.06 -0.04 2.15 2.23 2r5iE1 GLN 226 HB3 0.05 -0.02 0.22 -0.04 2.02 2.23 2r5iE1 GLN 226 HG2 0.06 -0.04 -0.22 -0.04 2.40 2.16 2r5iE1 GLN 226 HG3 0.04 -0.01 0.02 -0.04 2.39 2.39 2r5iE1 GLN 226 HE21 0.03 0.05 0.05 -0.04 6.97 7.06 2r5iE1 GLN 226 HE22 0.03 -0.05 0.04 -0.04 7.69 7.67 2r5iE1 SER 227 H 0.11 0.62 -0.28 -0.55 8.46 8.36 2r5iE1 SER 227 HA 0.07 0.24 0.96 -0.75 4.49 5.00 2r5iE1 SER 227 HB2 0.08 0.02 0.04 -0.04 3.95 4.04 2r5iE1 SER 227 HB3 0.07 -0.07 0.19 -0.04 3.93 4.08 2r5iE1 ILE 228 H 0.05 0.24 0.19 -0.55 8.25 8.18 2r5iE1 ILE 228 HA 0.07 0.22 1.32 -0.75 4.18 5.04 2r5iE1 ILE 228 HB -0.09 -0.03 0.12 -0.04 1.89 1.85 2r5iE1 ILE 228 HG12 -0.05 -0.07 -0.08 -0.04 1.49 1.25 2r5iE1 ILE 228 HG13 -0.02 -0.02 -0.23 -0.04 1.21 0.90 2r5iE1 ILE 228 HG23 -0.56 0.01 -0.34 -0.04 0.93 0.00 2r5iE1 ILE 228 HD13 -0.15 0.01 -0.10 -0.04 0.88 0.60 2r5iE1 CYS 229 H 0.21 0.57 0.30 -0.55 8.50 9.02 2r5iE1 CYS 229 HA 0.16 0.33 0.68 -0.75 4.58 4.98 2r5iE1 CYS 229 HB2 0.41 -0.12 0.29 -0.04 2.97 3.51 2r5iE1 CYS 229 HB3 0.21 -0.07 -0.21 -0.04 2.97 2.87 2r5iE1 LYS 230 H 0.22 0.66 0.28 -0.55 8.42 9.02 2r5iE1 LYS 230 HA 0.16 0.23 0.75 -0.75 4.32 4.71 2r5iE1 LYS 230 HB2 0.03 -0.02 -0.11 -0.04 1.87 1.73 2r5iE1 LYS 230 HB3 0.03 -0.07 -0.15 -0.04 1.79 1.55 2r5iE1 LYS 230 HG2 -0.04 0.03 -0.36 -0.04 1.46 1.05 2r5iE1 LYS 230 HG3 -0.03 0.07 -0.24 -0.04 1.46 1.22 2r5iE1 LYS 230 HD2 -0.14 -0.05 -0.16 -0.04 1.69 1.29 2r5iE1 LYS 230 HD3 -0.06 -0.01 -0.28 -0.04 1.68 1.29 2r5iE1 LYS 230 HE2 -0.14 0.00 -0.20 -0.04 2.99 2.60 2r5iE1 LYS 230 HE3 -0.08 0.02 -0.08 -0.04 2.99 2.80 2r5iE1 TYR 231 H 0.22 0.60 0.31 -0.55 8.29 8.88 2r5iE1 TYR 231 HA 0.23 0.15 0.82 -0.75 4.56 5.00 2r5iE1 TYR 231 HB2 0.15 -0.06 -0.06 -0.04 3.06 3.05 2r5iE1 TYR 231 HB3 0.11 -0.01 0.10 -0.04 2.98 3.15 2r5iE1 TYR 231 HD2 0.15 -0.04 0.00 -0.04 7.15 7.22 2r5iE1 TYR 231 HE2 0.19 -0.03 -0.01 -0.04 6.85 6.95 2r5iE1 PRO 232 HA -0.27 0.13 0.45 -0.51 4.44 4.24 2r5iE1 PRO 232 HB2 -1.57 -0.04 -0.01 -0.04 2.28 0.62 2r5iE1 PRO 232 HB3 -0.54 0.06 -0.01 -0.04 2.02 1.49 2r5iE1 PRO 232 HG2 -0.17 0.05 -0.01 -0.04 2.03 1.85 2r5iE1 PRO 232 HG3 0.01 0.06 -0.05 -0.04 2.03 2.01 2r5iE1 PRO 232 HD2 -0.78 0.09 0.17 -0.04 3.68 3.12 2r5iE1 PRO 232 HD3 0.15 0.19 0.15 -0.04 3.65 4.10 2r5iE1 ASP 233 H -0.24 0.78 0.37 -0.55 8.40 8.77 2r5iE1 ASP 233 HA -0.05 0.13 0.58 -0.75 4.63 4.54 2r5iE1 ASP 233 HB2 -0.08 0.06 -0.17 -0.04 2.71 2.48 2r5iE1 ASP 233 HB3 -0.09 0.01 0.10 -0.04 2.70 2.67 2r5iE1 TYR 234 H 0.02 0.41 -0.01 -0.55 8.29 8.17 2r5iE1 TYR 234 HA -0.04 0.06 0.11 -0.75 4.56 3.94 2r5iE1 TYR 234 HB2 -0.01 0.00 0.09 -0.04 3.06 3.10 2r5iE1 TYR 234 HB3 -0.02 0.05 -0.02 -0.04 2.98 2.95 2r5iE1 TYR 234 HD2 -0.09 0.01 -0.01 -0.04 7.15 7.02 2r5iE1 TYR 234 HE2 -0.38 0.01 -0.04 -0.04 6.85 6.40 2r5iE1 LEU 235 H 0.12 0.09 -0.16 -0.55 8.37 7.88 2r5iE1 LEU 235 HA 0.07 0.12 0.35 -0.75 4.35 4.13 2r5iE1 LEU 235 HB2 0.06 -0.06 0.05 -0.04 1.64 1.65 2r5iE1 LEU 235 HB3 0.04 0.07 -0.04 -0.04 1.64 1.68 2r5iE1 LEU 235 HG 0.11 -0.05 0.03 -0.04 1.64 1.69 2r5iE1 LEU 235 HD13 0.07 0.02 -0.01 -0.04 0.93 0.96 2r5iE1 LEU 235 HD23 0.06 0.02 -0.02 -0.04 0.89 0.90 2r5iE1 GLN 236 H 0.01 0.11 -0.27 -0.55 8.47 7.78 2r5iE1 GLN 236 HA 0.00 0.08 0.42 -0.75 4.36 4.11 2r5iE1 GLN 236 HB2 -0.02 0.02 0.04 -0.04 2.15 2.14 2r5iE1 GLN 236 HB3 -0.03 -0.02 0.08 -0.04 2.02 2.01 2r5iE1 GLN 236 HG2 -0.05 -0.01 -0.07 -0.04 2.40 2.22 2r5iE1 GLN 236 HG3 -0.03 0.06 -0.42 -0.04 2.39 1.96 2r5iE1 GLN 236 HE21 -0.00 0.02 -0.02 -0.04 6.97 6.92 2r5iE1 GLN 236 HE22 -0.01 -0.03 -0.20 -0.04 7.69 7.41 2r5iE1 MET 237 H -0.01 0.46 -0.13 -0.55 8.47 8.24 2r5iE1 MET 237 HA -0.00 0.02 0.52 -0.75 4.52 4.30 2r5iE1 MET 237 HB2 -0.03 0.08 0.03 -0.04 2.15 2.19 2r5iE1 MET 237 HB3 -0.01 -0.02 -0.07 -0.04 2.03 1.89 2r5iE1 MET 237 HG2 -0.05 -0.03 0.01 -0.04 2.63 2.51 2r5iE1 MET 237 HG3 -0.08 0.03 0.01 -0.04 2.56 2.48 2r5iE1 MET 237 HE3 -0.26 0.04 -0.15 -0.04 2.10 1.69 2r5iE1 SER 238 H 0.04 0.43 -0.19 -0.55 8.46 8.19 2r5iE1 SER 238 HA 0.04 0.04 0.54 -0.75 4.49 4.35 2r5iE1 SER 238 HB2 0.04 0.07 0.04 -0.04 3.95 4.05 2r5iE1 SER 238 HB3 0.03 -0.00 -0.03 -0.04 3.93 3.88 2r5iE1 ALA 239 H 0.02 0.19 -0.28 -0.55 8.40 7.78 2r5iE1 ALA 239 HA 0.02 0.06 0.37 -0.75 4.34 4.03 2r5iE1 ALA 239 HB3 0.02 0.00 0.08 -0.04 1.41 1.46 2r5iE1 ASP 240 H 0.02 0.32 -0.07 -0.55 8.40 8.13 2r5iE1 ASP 240 HA 0.04 0.01 0.41 -0.75 4.63 4.33 2r5iE1 ASP 240 HB2 0.04 0.07 0.20 -0.04 2.71 2.98 2r5iE1 ASP 240 HB3 0.07 0.03 0.09 -0.04 2.70 2.85 2r5iE1 PRO 241 HA 0.04 0.21 0.48 -0.51 4.44 4.66 2r5iE1 PRO 241 HB2 -0.32 0.02 0.04 -0.04 2.28 1.97 2r5iE1 PRO 241 HB3 -0.07 0.07 0.15 -0.04 2.02 2.12 2r5iE1 PRO 241 HG2 -0.03 -0.18 0.18 -0.04 2.03 1.95 2r5iE1 PRO 241 HG3 -0.03 0.09 0.10 -0.04 2.03 2.15 2r5iE1 PRO 241 HD2 0.07 0.01 0.24 -0.04 3.68 3.96 2r5iE1 PRO 241 HD3 0.01 0.18 0.18 -0.04 3.65 3.99 2r5iE1 TYR 242 H 0.14 0.08 -0.02 -0.55 8.29 7.94 2r5iE1 TYR 242 HA 0.22 0.17 0.51 -0.75 4.56 4.70 2r5iE1 TYR 242 HB2 0.10 -0.07 0.04 -0.04 3.06 3.09 2r5iE1 TYR 242 HB3 0.18 0.01 -0.09 -0.04 2.98 3.03 2r5iE1 TYR 242 HD2 0.09 -0.02 0.01 -0.04 7.15 7.20 2r5iE1 TYR 242 HE2 -0.12 0.02 -0.02 -0.04 6.85 6.69 2r5iE1 GLY 243 H 0.20 0.05 -0.35 -0.55 8.43 7.78 2r5iE1 GLY 243 HA2 0.13 0.05 0.32 -0.51 4.01 4.00 2r5iE1 GLY 243 HA3 0.17 0.06 0.45 -0.51 4.01 4.18 2r5iE1 ASP 244 H 0.16 0.10 -0.01 -0.55 8.40 8.10 2r5iE1 ASP 244 HA 0.19 0.20 0.64 -0.75 4.63 4.90 2r5iE1 ASP 244 HB2 0.14 0.01 -0.09 -0.04 2.71 2.72 2r5iE1 ASP 244 HB3 0.19 -0.00 -0.09 -0.04 2.70 2.76 2r5iE1 SER 245 H 0.04 -0.09 -0.06 -0.55 8.46 7.80 2r5iE1 SER 245 HA -0.10 0.24 0.24 -0.75 4.49 4.12 2r5iE1 SER 245 HB2 -0.02 0.03 0.09 -0.04 3.95 4.01 2r5iE1 SER 245 HB3 -0.07 -0.01 0.01 -0.04 3.93 3.82 2r5iE1 MET 246 H -0.01 0.16 -0.10 -0.55 8.47 7.97 2r5iE1 MET 246 HA -0.18 0.35 0.48 -0.75 4.52 4.42 2r5iE1 MET 246 HB2 0.03 0.04 0.09 -0.04 2.15 2.27 2r5iE1 MET 246 HB3 -0.03 0.01 -0.17 -0.04 2.03 1.79 2r5iE1 MET 246 HG2 0.01 -0.06 -0.11 -0.04 2.63 2.42 2r5iE1 MET 246 HG3 0.05 0.03 0.04 -0.04 2.56 2.64 2r5iE1 MET 246 HE3 0.09 -0.02 -0.09 -0.04 2.10 2.04 2r5iE1 PHE 247 H -0.14 0.77 0.30 -0.55 8.34 8.72 2r5iE1 PHE 247 HA 0.10 0.16 1.15 -0.75 4.62 5.28 2r5iE1 PHE 247 HB2 0.12 -0.07 0.31 -0.04 3.15 3.46 2r5iE1 PHE 247 HB3 0.11 0.21 0.18 -0.04 3.06 3.52 2r5iE1 PHE 247 HD2 0.14 0.08 -0.15 -0.04 7.28 7.30 2r5iE1 PHE 247 HE2 0.07 0.06 -0.22 -0.04 7.38 7.26 2r5iE1 PHE 247 HZ 0.08 0.06 -0.25 -0.04 7.32 7.17 2r5iE1 PHE 248 H 0.24 0.22 -0.09 -0.55 8.34 8.16 2r5iE1 PHE 248 HA 0.11 0.08 0.53 -0.75 4.62 4.58 2r5iE1 PHE 248 HB2 0.26 0.18 -0.18 -0.04 3.15 3.36 2r5iE1 PHE 248 HB3 0.21 -0.14 -0.01 -0.04 3.06 3.08 2r5iE1 PHE 248 HD2 0.07 -0.03 -0.14 -0.04 7.28 7.14 2r5iE1 PHE 248 HE2 -0.09 0.01 -0.18 -0.04 7.38 7.08 2r5iE1 PHE 248 HZ -0.60 0.03 -0.11 -0.04 7.32 6.60 2r5iE1 CYS 249 H -0.56 0.28 0.13 -0.55 8.50 7.81 2r5iE1 CYS 249 HA -0.05 0.24 1.01 -0.75 4.58 5.04 2r5iE1 CYS 249 HB2 0.06 0.02 -0.06 -0.04 2.97 2.95 2r5iE1 CYS 249 HB3 -0.05 -0.03 -0.03 -0.04 2.97 2.82 2r5iE1 LEU 250 H -0.08 0.51 0.33 -0.55 8.37 8.58 2r5iE1 LEU 250 HA -0.25 0.18 0.93 -0.75 4.35 4.45 2r5iE1 LEU 250 HB2 -0.22 -0.02 0.09 -0.04 1.64 1.45 2r5iE1 LEU 250 HB3 -0.19 -0.00 -0.08 -0.04 1.64 1.32 2r5iE1 LEU 250 HG -0.28 0.03 0.06 -0.04 1.64 1.41 2r5iE1 LEU 250 HD13 -0.69 0.05 -0.04 -0.04 0.93 0.21 2r5iE1 LEU 250 HD23 -0.66 0.01 -0.06 -0.04 0.89 0.14 2r5iE1 ARG 251 H -0.13 0.31 0.20 -0.55 8.46 8.28 2r5iE1 ARG 251 HA -0.01 0.32 1.18 -0.75 4.34 5.08 2r5iE1 ARG 251 HB2 -0.01 -0.01 0.05 -0.04 1.90 1.88 2r5iE1 ARG 251 HB3 0.02 -0.01 0.01 -0.04 1.80 1.78 2r5iE1 ARG 251 HG2 -0.33 -0.03 -0.12 -0.04 1.67 1.15 2r5iE1 ARG 251 HG3 -0.17 0.02 0.07 -0.04 1.67 1.56 2r5iE1 ARG 251 HD2 -0.14 0.02 -0.04 -0.04 3.22 3.01 2r5iE1 ARG 251 HD3 -0.14 -0.00 -0.05 -0.04 3.22 2.99 2r5iE1 ARG 252 H -0.00 0.81 0.36 -0.55 8.46 9.07 2r5iE1 ARG 252 HA -0.02 0.09 0.47 -0.75 4.34 4.13 2r5iE1 ARG 252 HB2 -0.06 0.12 0.07 -0.04 1.90 1.99 2r5iE1 ARG 252 HB3 -0.06 -0.04 0.14 -0.04 1.80 1.79 2r5iE1 ARG 252 HG2 -0.01 -0.06 -0.17 -0.04 1.67 1.39 2r5iE1 ARG 252 HG3 -0.01 0.03 -0.01 -0.04 1.67 1.63 2r5iE1 ARG 252 HD2 -0.04 0.16 -0.01 -0.04 3.22 3.28 2r5iE1 ARG 252 HD3 -0.02 -0.05 -0.01 -0.04 3.22 3.10 2r5iE1 GLU 253 H 0.02 0.22 0.19 -0.55 8.60 8.49 2r5iE1 GLU 253 HA 0.06 0.26 0.94 -0.75 4.29 4.80 2r5iE1 GLU 253 HB2 0.08 0.07 0.14 -0.04 2.09 2.34 2r5iE1 GLU 253 HB3 0.11 -0.07 0.02 -0.04 1.99 2.01 2r5iE1 GLU 253 HG2 0.06 -0.07 0.06 -0.04 2.34 2.35 2r5iE1 GLU 253 HG3 0.06 0.03 -0.11 -0.04 2.34 2.28 2r5iE1 GLN 254 H 0.06 0.56 0.37 -0.55 8.47 8.92 2r5iE1 GLN 254 HA 0.05 0.06 0.40 -0.75 4.36 4.11 2r5iE1 GLN 254 HB2 0.06 -0.01 0.13 -0.04 2.15 2.29 2r5iE1 GLN 254 HB3 0.04 0.14 -0.03 -0.04 2.02 2.13 2r5iE1 GLN 254 HG2 0.06 0.02 -0.09 -0.04 2.40 2.34 2r5iE1 GLN 254 HG3 0.08 -0.10 -0.18 -0.04 2.39 2.15 2r5iE1 GLN 254 HE21 0.03 -0.00 -0.04 -0.04 6.97 6.92 2r5iE1 GLN 254 HE22 0.03 0.04 -0.07 -0.04 7.69 7.64 2r5iE1 LEU 255 H 0.08 0.31 0.25 -0.55 8.37 8.46 2r5iE1 LEU 255 HA 0.09 0.06 0.71 -0.75 4.35 4.46 2r5iE1 LEU 255 HB2 -0.02 0.00 0.08 -0.04 1.64 1.66 2r5iE1 LEU 255 HB3 0.03 0.06 -0.27 -0.04 1.64 1.42 2r5iE1 LEU 255 HG -0.01 -0.03 -0.14 -0.04 1.64 1.42 2r5iE1 LEU 255 HD13 0.02 -0.01 -0.13 -0.04 0.93 0.77 2r5iE1 LEU 255 HD23 -0.05 0.01 -0.27 -0.04 0.89 0.54 2r5iE1 PHE 256 H -0.18 0.83 0.39 -0.55 8.34 8.83 2r5iE1 PHE 256 HA -0.01 0.09 0.56 -0.75 4.62 4.50 2r5iE1 PHE 256 HB2 -0.01 -0.02 0.16 -0.04 3.15 3.24 2r5iE1 PHE 256 HB3 -0.01 -0.04 -0.24 -0.04 3.06 2.73 2r5iE1 PHE 256 HD2 -0.01 0.01 -0.23 -0.04 7.28 7.00 2r5iE1 PHE 256 HE2 -0.05 0.03 -0.21 -0.04 7.38 7.12 2r5iE1 PHE 256 HZ -0.04 -0.02 -0.12 -0.04 7.32 7.10 2r5iE1 ALA 257 H 0.19 0.11 0.11 -0.55 8.40 8.26 2r5iE1 ALA 257 HA -0.13 0.21 0.71 -0.75 4.34 4.37 2r5iE1 ALA 257 HB3 0.11 -0.01 0.03 -0.04 1.41 1.51 2r5iE1 ARG 258 H -0.26 0.68 0.28 -0.55 8.46 8.60 2r5iE1 ARG 258 HA -0.02 0.08 0.65 -0.75 4.34 4.30 2r5iE1 ARG 258 HB2 -0.43 0.04 -0.07 -0.04 1.90 1.41 2r5iE1 ARG 258 HB3 -0.17 0.00 0.13 -0.04 1.80 1.72 2r5iE1 ARG 258 HG2 0.05 -0.01 -0.03 -0.04 1.67 1.63 2r5iE1 ARG 258 HG3 0.07 -0.04 -0.23 -0.04 1.67 1.43 2r5iE1 ARG 258 HD2 0.03 -0.05 -0.03 -0.04 3.22 3.13 2r5iE1 ARG 258 HD3 0.08 0.02 -0.03 -0.04 3.22 3.25 2r5iE1 HIS 259 H -0.23 0.20 0.23 -0.55 8.41 8.06 2r5iE1 HIS 259 HA -0.45 0.26 0.73 -0.75 4.63 4.43 2r5iE1 HIS 259 HB2 -0.95 -0.01 0.10 -0.04 3.26 2.37 2r5iE1 HIS 259 HB3 -1.05 -0.00 -0.00 -0.04 3.20 2.10 2r5iE1 HIS 259 HD2 -0.11 -0.07 0.04 -0.04 6.97 6.78 2r5iE1 HIS 259 HE1 -0.03 -0.01 -0.05 -0.04 7.75 7.62 2r5iE1 PHE 260 H -0.27 0.13 0.13 -0.55 8.34 7.78 2r5iE1 PHE 260 HA -0.19 0.19 0.74 -0.75 4.62 4.60 2r5iE1 PHE 260 HB2 -0.06 -0.15 -0.02 -0.04 3.15 2.87 2r5iE1 PHE 260 HB3 -0.04 0.09 -0.13 -0.04 3.06 2.93 2r5iE1 PHE 260 HD2 -0.14 0.01 -0.59 -0.04 7.28 6.53 2r5iE1 PHE 260 HE2 -0.09 0.04 -0.15 -0.04 7.38 7.14 2r5iE1 PHE 260 HZ -0.06 0.01 -0.06 -0.04 7.32 7.17 2r5iE1 TRP 261 H 0.31 0.35 0.15 -0.55 7.97 8.23 2r5iE1 TRP 261 HA 0.19 0.15 1.10 -0.75 4.62 5.30 2r5iE1 TRP 261 HB2 0.20 0.19 0.08 -0.04 3.23 3.66 2r5iE1 TRP 261 HB3 0.16 0.03 0.12 -0.04 3.23 3.51 2r5iE1 TRP 261 HD1 0.12 0.02 -0.07 -0.04 7.22 7.24 2r5iE1 TRP 261 HE1 -0.02 -0.04 -0.11 -0.04 10.20 10.00 2r5iE1 TRP 261 HE3 0.29 0.14 -0.09 -0.04 7.59 7.89 2r5iE1 TRP 261 HZ2 -0.27 -0.00 -0.05 -0.04 7.44 7.08 2r5iE1 TRP 261 HZ3 -0.20 0.03 -0.08 -0.04 7.13 6.84 2r5iE1 TRP 261 HH2 -0.24 0.06 -0.01 -0.04 7.19 6.96 2r5iE1 ASN 262 H 0.33 0.25 0.31 -0.55 8.53 8.88 2r5iE1 ASN 262 HA 0.07 0.22 0.67 -0.75 4.76 4.97 2r5iE1 ASN 262 HB2 0.17 0.01 0.21 -0.04 2.88 3.23 2r5iE1 ASN 262 HB3 0.06 -0.05 -0.03 -0.04 2.79 2.72 2r5iE1 ASN 262 HD21 0.06 0.14 -0.00 -0.04 7.03 7.19 2r5iE1 ASN 262 HD22 0.07 -0.10 -0.04 -0.04 7.74 7.63 2r5iE1 ARG 263 H -0.05 0.16 0.17 -0.55 8.46 8.19 2r5iE1 ARG 263 HA -0.01 0.24 0.97 -0.75 4.34 4.78 2r5iE1 ARG 263 HB2 -0.05 -0.08 0.15 -0.04 1.90 1.88 2r5iE1 ARG 263 HB3 -0.04 0.06 -0.02 -0.04 1.80 1.76 2r5iE1 ARG 263 HG2 0.04 0.12 -0.18 -0.04 1.67 1.61 2r5iE1 ARG 263 HG3 0.00 -0.07 -0.06 -0.04 1.67 1.50 2r5iE1 ARG 263 HD2 -0.06 -0.04 0.09 -0.04 3.22 3.17 2r5iE1 ARG 263 HD3 0.03 0.16 0.04 -0.04 3.22 3.41 2r5iE1 ALA 264 H -0.05 0.14 -0.06 -0.55 8.40 7.88 2r5iE1 ALA 264 HA -0.03 0.07 0.56 -0.75 4.34 4.18 2r5iE1 ALA 264 HB3 -0.04 0.01 -0.06 -0.04 1.41 1.27 2r5iE1 GLY 265 H -0.03 0.12 0.15 -0.55 8.43 8.13 2r5iE1 GLY 265 HA2 -0.03 0.02 0.28 -0.51 4.01 3.76 2r5iE1 GLY 265 HA3 -0.04 0.20 0.71 -0.51 4.01 4.37 2r5iE1 THR 266 H -0.03 0.15 0.13 -0.55 8.28 7.98 2r5iE1 THR 266 HA -0.03 0.13 0.72 -0.75 4.39 4.46 2r5iE1 THR 266 HB -0.02 0.06 0.01 -0.04 4.32 4.32 2r5iE1 THR 266 HG23 -0.02 -0.00 -0.01 -0.04 1.22 1.14 2r5iE1 MET 267 H -0.03 0.13 0.08 -0.55 8.47 8.10 2r5iE1 MET 267 HA -0.04 0.02 0.42 -0.75 4.52 4.16 2r5iE1 MET 267 HB2 -0.02 0.00 0.04 -0.04 2.15 2.12 2r5iE1 MET 267 HB3 -0.03 0.14 -0.10 -0.04 2.03 1.99 2r5iE1 MET 267 HG2 -0.04 0.02 0.00 -0.04 2.63 2.57 2r5iE1 MET 267 HG3 -0.05 0.10 0.00 -0.04 2.56 2.57 2r5iE1 MET 267 HE3 -0.06 0.03 -0.25 -0.04 2.10 1.77 2r5iE1 GLY 268 H -0.03 0.09 0.15 -0.55 8.43 8.10 2r5iE1 GLY 268 HA2 -0.02 0.12 0.39 -0.51 4.01 4.00 2r5iE1 GLY 268 HA3 -0.02 0.01 0.36 -0.51 4.01 3.85 2r5iE1 ASP 269 H -0.02 0.04 0.02 -0.55 8.40 7.89 2r5iE1 ASP 269 HA -0.01 0.10 0.59 -0.75 4.63 4.56 2r5iE1 ASP 269 HB2 -0.01 -0.04 0.09 -0.04 2.71 2.71 2r5iE1 ASP 269 HB3 -0.01 0.06 -0.05 -0.04 2.70 2.66 2r5iE1 THR 270 H 0.00 0.12 0.11 -0.55 8.28 7.96 2r5iE1 THR 270 HA 0.01 0.07 0.21 -0.75 4.39 3.93 2r5iE1 THR 270 HB 0.02 -0.05 -0.04 -0.04 4.32 4.21 2r5iE1 THR 270 HG23 0.03 0.03 -0.08 -0.04 1.22 1.16 2r5iE1 VAL 271 H 0.03 0.11 0.12 -0.55 8.24 7.95 2r5iE1 VAL 271 HA 0.05 0.07 0.29 -0.75 4.13 3.79 2r5iE1 VAL 271 HB 0.07 -0.02 0.10 -0.04 2.12 2.22 2r5iE1 VAL 271 HG13 0.05 0.02 -0.06 -0.04 0.97 0.94 2r5iE1 VAL 271 HG23 -0.03 -0.00 0.05 -0.04 0.95 0.93 2r5iE1 PRO 272 HA 0.05 0.03 0.46 -0.51 4.44 4.47 2r5iE1 PRO 272 HB2 0.06 -0.01 0.05 -0.04 2.28 2.35 2r5iE1 PRO 272 HB3 0.03 -0.03 0.08 -0.04 2.02 2.05 2r5iE1 PRO 272 HG2 0.03 0.03 0.08 -0.04 2.03 2.14 2r5iE1 PRO 272 HG3 0.03 0.07 0.13 -0.04 2.03 2.22 2r5iE1 PRO 272 HD2 0.07 0.07 0.19 -0.04 3.68 3.96 2r5iE1 PRO 272 HD3 0.04 0.29 0.26 -0.04 3.65 4.19 2r5iE1 GLN 273 H -0.01 0.14 0.20 -0.55 8.47 8.25 2r5iE1 GLN 273 HA -0.32 0.20 0.38 -0.75 4.36 3.88 2r5iE1 GLN 273 HB2 -0.07 -0.06 0.17 -0.04 2.15 2.15 2r5iE1 GLN 273 HB3 -0.17 0.04 0.04 -0.04 2.02 1.88 2r5iE1 GLN 273 HG2 -0.02 0.10 0.00 -0.04 2.40 2.44 2r5iE1 GLN 273 HG3 -0.04 -0.02 0.05 -0.04 2.39 2.34 2r5iE1 GLN 273 HE21 -0.25 -0.04 0.04 -0.04 6.97 6.68 2r5iE1 GLN 273 HE22 -0.64 0.03 0.12 -0.04 7.69 7.17 2r5iE1 SER 274 H -0.04 0.02 -0.23 -0.55 8.46 7.66 2r5iE1 SER 274 HA -0.08 0.17 0.46 -0.75 4.49 4.28 2r5iE1 SER 274 HB2 -0.02 0.03 0.15 -0.04 3.95 4.06 2r5iE1 SER 274 HB3 -0.03 -0.03 0.08 -0.04 3.93 3.91 2r5iE1 LEU 275 H 0.00 0.22 -0.68 -0.55 8.37 7.37 2r5iE1 LEU 275 HA 0.05 0.12 0.60 -0.75 4.35 4.37 2r5iE1 LEU 275 HB2 0.21 0.17 -0.08 -0.04 1.64 1.89 2r5iE1 LEU 275 HB3 0.12 -0.02 0.08 -0.04 1.64 1.78 2r5iE1 LEU 275 HG 0.05 -0.15 -0.19 -0.04 1.64 1.32 2r5iE1 LEU 275 HD13 0.06 0.01 -0.01 -0.04 0.93 0.95 2r5iE1 LEU 275 HD23 0.03 0.02 -0.08 -0.04 0.89 0.83 2r5iE1 TYR 276 H -0.19 0.40 -0.16 -0.55 8.29 7.78 2r5iE1 TYR 276 HA 0.01 0.06 0.20 -0.75 4.56 4.08 2r5iE1 TYR 276 HB2 0.02 -0.08 0.15 -0.04 3.06 3.10 2r5iE1 TYR 276 HB3 0.02 0.13 0.01 -0.04 2.98 3.09 2r5iE1 TYR 276 HD2 0.01 0.00 -0.41 -0.04 7.15 6.71 2r5iE1 TYR 276 HE2 0.01 0.13 -0.20 -0.04 6.85 6.75 2r5iE1 ILE 277 H 0.24 0.22 0.11 -0.55 8.25 8.27 2r5iE1 ILE 277 HA -0.07 0.15 0.94 -0.75 4.18 4.45 2r5iE1 ILE 277 HB 0.07 -0.03 0.11 -0.04 1.89 2.00 2r5iE1 ILE 277 HG12 -0.02 0.11 -0.19 -0.04 1.49 1.36 2r5iE1 ILE 277 HG13 0.03 -0.03 -0.15 -0.04 1.21 1.02 2r5iE1 ILE 277 HG23 0.02 0.06 -0.09 -0.04 0.93 0.87 2r5iE1 ILE 277 HD13 0.01 -0.01 -0.02 -0.04 0.88 0.82 2r5iE1 LYS 278 H -0.02 0.08 0.14 -0.55 8.42 8.07 2r5iE1 LYS 278 HA 0.22 0.09 0.31 -0.75 4.32 4.18 2r5iE1 LYS 278 HB2 0.02 -0.09 0.13 -0.04 1.87 1.90 2r5iE1 LYS 278 HB3 0.07 0.13 0.16 -0.04 1.79 2.10 2r5iE1 LYS 278 HG2 0.13 0.07 0.07 -0.04 1.46 1.69 2r5iE1 LYS 278 HG3 -0.06 -0.05 0.10 -0.04 1.46 1.41 2r5iE1 LYS 278 HD2 0.00 -0.08 0.06 -0.04 1.69 1.63 2r5iE1 LYS 278 HD3 0.04 0.04 0.08 -0.04 1.68 1.80 2r5iE1 LYS 278 HE2 0.01 -0.06 0.04 -0.04 2.99 2.94 2r5iE1 LYS 278 HE3 0.03 -0.06 0.03 -0.04 2.99 2.95 2r5iE1 GLY 279 H 0.09 0.29 0.27 -0.55 8.43 8.52 2r5iE1 GLY 279 HA2 0.04 0.15 0.84 -0.51 4.01 4.52 2r5iE1 GLY 279 HA3 0.04 0.02 0.29 -0.51 4.01 3.85 2r5iE1 THR 280 H 0.03 0.15 0.09 -0.55 8.28 8.00 2r5iE1 THR 280 HA 0.02 0.24 0.74 -0.75 4.39 4.64 2r5iE1 THR 280 HB 0.01 -0.04 0.08 -0.04 4.32 4.33 2r5iE1 THR 280 HG23 0.02 0.02 -0.13 -0.04 1.22 1.09 2r5iE1 GLY 281 H 0.02 0.16 0.11 -0.55 8.43 8.17 2r5iE1 GLY 281 HA2 0.01 0.08 0.34 -0.51 4.01 3.94 2r5iE1 GLY 281 HA3 0.01 0.06 0.58 -0.51 4.01 4.16 2r5iE1 MET 282 H 0.01 0.16 0.19 -0.55 8.47 8.28 2r5iE1 MET 282 HA 0.01 0.13 0.55 -0.75 4.52 4.45 2r5iE1 MET 282 HB2 0.01 0.06 0.12 -0.04 2.15 2.30 2r5iE1 MET 282 HB3 0.01 -0.01 0.14 -0.04 2.03 2.13 2r5iE1 MET 282 HG2 0.01 -0.03 0.12 -0.04 2.63 2.68 2r5iE1 MET 282 HG3 0.01 0.01 0.00 -0.04 2.56 2.54 2r5iE1 MET 282 HE3 0.02 0.01 -0.02 -0.04 2.10 2.06 2r5iE1 ARG 283 H 0.02 0.16 -0.30 -0.55 8.46 7.78 2r5iE1 ARG 283 HA 0.01 0.22 0.62 -0.75 4.34 4.44 2r5iE1 ARG 283 HB2 0.02 0.01 0.12 -0.04 1.90 2.01 2r5iE1 ARG 283 HB3 0.03 -0.05 0.12 -0.04 1.80 1.86 2r5iE1 ARG 283 HG2 0.02 0.05 0.03 -0.04 1.67 1.73 2r5iE1 ARG 283 HG3 0.02 -0.03 -0.05 -0.04 1.67 1.57 2r5iE1 ARG 283 HD2 0.02 -0.00 0.04 -0.04 3.22 3.24 2r5iE1 ARG 283 HD3 0.02 0.03 0.01 -0.04 3.22 3.23 2r5iE1 ALA 284 H 0.02 0.38 -0.67 -0.55 8.40 7.59 2r5iE1 ALA 284 HA 0.06 0.01 0.29 -0.75 4.34 3.94 2r5iE1 ALA 284 HB3 0.03 -0.04 -0.10 -0.04 1.41 1.26 2r5iE1 SER 285 H 0.02 0.21 -0.17 -0.55 8.46 7.97 2r5iE1 SER 285 HA 0.07 0.26 0.91 -0.75 4.49 4.98 2r5iE1 SER 285 HB2 0.04 -0.01 -0.07 -0.04 3.95 3.86 2r5iE1 SER 285 HB3 0.01 -0.07 0.03 -0.04 3.93 3.86 2r5iE1 PRO 286 HA -0.14 -0.01 0.34 -0.51 4.44 4.12 2r5iE1 PRO 286 HB2 -0.19 0.10 -0.01 -0.04 2.28 2.14 2r5iE1 PRO 286 HB3 -0.53 0.02 0.04 -0.04 2.02 1.50 2r5iE1 PRO 286 HG2 -0.08 0.02 0.08 -0.04 2.03 2.01 2r5iE1 PRO 286 HG3 -0.16 0.05 0.04 -0.04 2.03 1.92 2r5iE1 PRO 286 HD2 0.03 0.08 0.18 -0.04 3.68 3.93 2r5iE1 PRO 286 HD3 -0.29 0.15 0.05 -0.04 3.65 3.52 2r5iE1 GLY 287 H -0.06 0.05 0.07 -0.55 8.43 7.94 2r5iE1 GLY 287 HA2 -0.03 0.16 0.57 -0.51 4.01 4.20 2r5iE1 GLY 287 HA3 -0.02 -0.03 0.36 -0.51 4.01 3.81 2r5iE1 SER 288 H -0.04 0.06 0.13 -0.55 8.46 8.07 2r5iE1 SER 288 HA -0.09 0.10 0.66 -0.75 4.49 4.41 2r5iE1 SER 288 HB2 -0.06 0.11 0.18 -0.04 3.95 4.14 2r5iE1 SER 288 HB3 -0.06 -0.10 0.15 -0.04 3.93 3.88 2r5iE1 CYS 289 H -0.17 0.15 0.16 -0.55 8.50 8.10 2r5iE1 CYS 289 HA -0.49 0.21 0.84 -0.75 4.58 4.38 2r5iE1 CYS 289 HB2 -0.09 0.01 0.06 -0.04 2.97 2.92 2r5iE1 CYS 289 HB3 -0.05 -0.01 0.18 -0.04 2.97 3.05 2r5iE1 VAL 290 H -0.30 0.05 -0.11 -0.55 8.24 7.33 2r5iE1 VAL 290 HA -0.13 0.17 0.85 -0.75 4.13 4.26 2r5iE1 VAL 290 HB -0.11 -0.04 0.18 -0.04 2.12 2.11 2r5iE1 VAL 290 HG13 -0.03 0.03 -0.04 -0.04 0.97 0.88 2r5iE1 VAL 290 HG23 -0.08 -0.02 -0.05 -0.04 0.95 0.76 2r5iE1 TYR 291 H -0.02 0.19 0.01 -0.55 8.29 7.92 2r5iE1 TYR 291 HA 0.08 0.31 0.81 -0.75 4.56 5.01 2r5iE1 TYR 291 HB2 -0.03 -0.02 -0.02 -0.04 3.06 2.95 2r5iE1 TYR 291 HB3 0.00 -0.02 -0.01 -0.04 2.98 2.91 2r5iE1 TYR 291 HD2 0.03 0.02 -0.13 -0.04 7.15 7.04 2r5iE1 TYR 291 HE2 0.02 -0.00 -0.05 -0.04 6.85 6.77 2r5iE1 SER 292 H 0.26 0.44 0.24 -0.55 8.46 8.85 2r5iE1 SER 292 HA 0.08 0.09 0.46 -0.75 4.49 4.36 2r5iE1 SER 292 HB2 0.17 0.05 0.02 -0.04 3.95 4.15 2r5iE1 SER 292 HB3 0.14 0.10 -0.11 -0.04 3.93 4.01 2r5iE1 PRO 293 HA -0.07 0.18 0.86 -0.51 4.44 4.91 2r5iE1 PRO 293 HB2 -0.05 0.04 -0.04 -0.04 2.28 2.18 2r5iE1 PRO 293 HB3 -0.16 -0.07 0.01 -0.04 2.02 1.77 2r5iE1 PRO 293 HG2 -0.13 0.06 -0.04 -0.04 2.03 1.88 2r5iE1 PRO 293 HG3 -0.14 -0.00 0.02 -0.04 2.03 1.87 2r5iE1 PRO 293 HD2 -0.06 0.13 0.18 -0.04 3.68 3.89 2r5iE1 PRO 293 HD3 -0.06 0.09 0.15 -0.04 3.65 3.79 2r5iE1 SER 294 H -0.43 0.29 0.31 -0.55 8.46 8.08 2r5iE1 SER 294 HA 0.00 0.11 0.57 -0.75 4.49 4.42 2r5iE1 SER 294 HB2 -0.04 0.12 0.11 -0.04 3.95 4.10 2r5iE1 SER 294 HB3 -0.26 0.00 0.14 -0.04 3.93 3.78 2r5iE1 PRO 295 HA -0.23 0.20 0.78 -0.51 4.44 4.68 2r5iE1 PRO 295 HB2 -0.08 -0.03 0.05 -0.04 2.28 2.17 2r5iE1 PRO 295 HB3 -0.20 0.05 0.14 -0.04 2.02 1.97 2r5iE1 PRO 295 HG2 0.07 0.04 -0.05 -0.04 2.03 2.06 2r5iE1 PRO 295 HG3 -0.12 -0.04 -0.05 -0.04 2.03 1.78 2r5iE1 PRO 295 HD2 -0.14 0.01 0.20 -0.04 3.68 3.71 2r5iE1 PRO 295 HD3 -0.67 0.29 0.13 -0.04 3.65 3.35 2r5iE1 SER 296 H -0.26 0.11 0.18 -0.55 8.46 7.95 2r5iE1 SER 296 HA -0.11 0.50 0.60 -0.75 4.49 4.72 2r5iE1 SER 296 HB2 -0.29 0.07 0.01 -0.04 3.95 3.71 2r5iE1 SER 296 HB3 -0.97 -0.03 -0.17 -0.04 3.93 2.72 2r5iE1 GLY 297 H 0.03 0.48 0.07 -0.55 8.43 8.46 2r5iE1 GLY 297 HA2 0.09 -0.02 0.79 -0.51 4.01 4.37 2r5iE1 GLY 297 HA3 0.09 0.04 0.37 -0.51 4.01 4.00 2r5iE1 SER 298 H 0.16 0.05 -0.05 -0.55 8.46 8.07 2r5iE1 SER 298 HA 0.30 0.17 0.27 -0.75 4.49 4.48 2r5iE1 SER 298 HB2 0.16 0.02 0.03 -0.04 3.95 4.12 2r5iE1 SER 298 HB3 0.08 0.03 0.17 -0.04 3.93 4.16 2r5iE1 ILE 299 H 0.05 0.06 0.08 -0.55 8.25 7.89 2r5iE1 ILE 299 HA 0.05 0.07 0.40 -0.75 4.18 3.93 2r5iE1 ILE 299 HB 0.02 -0.04 0.02 -0.04 1.89 1.85 2r5iE1 ILE 299 HG12 0.02 0.06 -0.00 -0.04 1.49 1.52 2r5iE1 ILE 299 HG13 0.02 -0.08 0.07 -0.04 1.21 1.18 2r5iE1 ILE 299 HG23 0.02 0.01 -0.18 -0.04 0.93 0.74 2r5iE1 ILE 299 HD13 -0.00 0.01 -0.01 -0.04 0.88 0.83 2r5iE1 VAL 300 H 0.04 0.18 0.13 -0.55 8.24 8.03 2r5iE1 VAL 300 HA 0.04 0.16 0.83 -0.75 4.13 4.40 2r5iE1 VAL 300 HB 0.05 0.07 -0.00 -0.04 2.12 2.20 2r5iE1 VAL 300 HG13 0.04 0.00 0.02 -0.04 0.97 0.99 2r5iE1 VAL 300 HG23 0.03 0.03 -0.10 -0.04 0.95 0.87 2r5iE1 THR 301 H 0.02 0.25 0.05 -0.55 8.28 8.05 2r5iE1 THR 301 HA 0.01 0.24 0.87 -0.75 4.39 4.76 2r5iE1 THR 301 HB 0.01 0.11 -0.08 -0.04 4.32 4.32 2r5iE1 THR 301 HG23 0.01 0.01 -0.11 -0.04 1.22 1.08 2r5iE1 SER 302 H 0.01 0.22 0.12 -0.55 8.46 8.25 2r5iE1 SER 302 HA 0.01 0.16 0.53 -0.75 4.49 4.44 2r5iE1 SER 302 HB2 0.00 0.09 0.12 -0.04 3.95 4.12 2r5iE1 SER 302 HB3 0.01 0.00 0.10 -0.04 3.93 4.00 2r5iE1 ASP 303 H 0.00 -0.04 -0.53 -0.55 8.40 7.28 2r5iE1 ASP 303 HA -0.00 0.14 0.43 -0.75 4.63 4.44 2r5iE1 ASP 303 HB2 -0.00 -0.05 0.00 -0.04 2.71 2.62 2r5iE1 ASP 303 HB3 -0.00 0.06 -0.02 -0.04 2.70 2.70 2r5iE1 SER 304 H -0.00 0.15 -0.32 -0.55 8.46 7.74 2r5iE1 SER 304 HA -0.01 0.24 0.56 -0.75 4.49 4.52 2r5iE1 SER 304 HB2 -0.01 0.02 0.10 -0.04 3.95 4.01 2r5iE1 SER 304 HB3 -0.00 -0.03 -0.07 -0.04 3.93 3.79 2r5iE1 GLN 305 H -0.01 0.26 -0.74 -0.55 8.47 7.43 2r5iE1 GLN 305 HA -0.04 -0.04 0.61 -0.75 4.36 4.14 2r5iE1 GLN 305 HB2 0.01 -0.07 0.06 -0.04 2.15 2.11 2r5iE1 GLN 305 HB3 0.00 0.15 0.01 -0.04 2.02 2.14 2r5iE1 GLN 305 HG2 0.04 0.05 -0.06 -0.04 2.40 2.38 2r5iE1 GLN 305 HG3 0.05 -0.09 -0.09 -0.04 2.39 2.22 2r5iE1 GLN 305 HE21 0.03 -0.05 -0.09 -0.04 6.97 6.83 2r5iE1 GLN 305 HE22 0.01 0.05 -0.07 -0.04 7.69 7.65 2r5iE1 LEU 306 H -0.23 -0.01 0.16 -0.55 8.37 7.75 2r5iE1 LEU 306 HA -0.09 0.20 0.66 -0.75 4.35 4.36 2r5iE1 LEU 306 HB2 -0.29 0.06 0.01 -0.04 1.64 1.38 2r5iE1 LEU 306 HB3 -0.93 -0.06 0.01 -0.04 1.64 0.62 2r5iE1 LEU 306 HG -0.25 -0.01 -0.05 -0.04 1.64 1.30 2r5iE1 LEU 306 HD13 -0.12 0.03 -0.10 -0.04 0.93 0.70 2r5iE1 LEU 306 HD23 -0.28 -0.03 -0.29 -0.04 0.89 0.25 2r5iE1 PHE 307 H -0.18 -0.07 0.01 -0.55 8.34 7.55 2r5iE1 PHE 307 HA 0.24 0.16 0.65 -0.75 4.62 4.90 2r5iE1 PHE 307 HB2 0.01 -0.00 -0.00 -0.04 3.15 3.12 2r5iE1 PHE 307 HB3 0.03 0.17 0.23 -0.04 3.06 3.44 2r5iE1 PHE 307 HD2 0.10 0.02 -0.02 -0.04 7.28 7.34 2r5iE1 PHE 307 HE2 0.08 -0.02 -0.02 -0.04 7.38 7.38 2r5iE1 PHE 307 HZ 0.09 0.14 0.02 -0.04 7.32 7.53 2r5iE1 ASN 308 H 0.14 0.48 0.22 -0.55 8.53 8.82 2r5iE1 ASN 308 HA -0.05 -0.03 0.28 -0.75 4.76 4.21 2r5iE1 ASN 308 HB2 0.03 0.16 -0.20 -0.04 2.88 2.83 2r5iE1 ASN 308 HB3 -0.03 0.02 0.22 -0.04 2.79 2.96 2r5iE1 ASN 308 HD21 -0.03 0.31 0.16 -0.04 7.03 7.42 2r5iE1 ASN 308 HD22 0.01 0.01 -0.00 -0.04 7.74 7.71 2r5iE1 LYS 309 H -0.17 0.07 -0.50 -0.55 8.42 7.26 2r5iE1 LYS 309 HA -0.24 0.16 0.76 -0.75 4.32 4.24 2r5iE1 LYS 309 HB2 -0.52 -0.01 -0.11 -0.04 1.87 1.19 2r5iE1 LYS 309 HB3 -0.30 0.04 0.01 -0.04 1.79 1.50 2r5iE1 LYS 309 HG2 -0.09 -0.02 -0.16 -0.04 1.46 1.15 2r5iE1 LYS 309 HG3 -0.08 0.08 -0.61 -0.04 1.46 0.82 2r5iE1 LYS 309 HD2 -0.01 -0.01 -0.12 -0.04 1.69 1.51 2r5iE1 LYS 309 HD3 0.03 0.12 -0.21 -0.04 1.68 1.59 2r5iE1 LYS 309 HE2 0.06 -0.03 -0.05 -0.04 2.99 2.93 2r5iE1 LYS 309 HE3 -0.05 -0.03 -0.03 -0.04 2.99 2.84 2r5iE1 PRO 310 HA -0.70 0.24 0.92 -0.51 4.44 4.39 2r5iE1 PRO 310 HB2 -1.23 0.02 -0.09 -0.04 2.28 0.94 2r5iE1 PRO 310 HB3 -0.50 -0.05 0.00 -0.04 2.02 1.43 2r5iE1 PRO 310 HG2 -0.29 0.04 0.11 -0.04 2.03 1.85 2r5iE1 PRO 310 HG3 -0.13 0.00 0.03 -0.04 2.03 1.89 2r5iE1 PRO 310 HD2 -0.24 0.12 0.22 -0.04 3.68 3.74 2r5iE1 PRO 310 HD3 -0.24 0.12 0.03 -0.04 3.65 3.52 2r5iE1 TYR 311 H -0.50 0.40 0.30 -0.55 8.29 7.95 2r5iE1 TYR 311 HA -0.38 0.18 0.76 -0.75 4.56 4.37 2r5iE1 TYR 311 HB2 0.13 -0.07 -0.07 -0.04 3.06 3.00 2r5iE1 TYR 311 HB3 0.13 0.03 0.06 -0.04 2.98 3.15 2r5iE1 TYR 311 HD2 -0.05 -0.03 -0.04 -0.04 7.15 6.98 2r5iE1 TYR 311 HE2 0.03 -0.05 -0.00 -0.04 6.85 6.78 2r5iE1 TRP 312 H 0.03 0.19 0.09 -0.55 7.97 7.74 2r5iE1 TRP 312 HA 0.02 0.10 0.76 -0.75 4.62 4.75 2r5iE1 TRP 312 HB2 0.07 -0.05 0.05 -0.04 3.23 3.26 2r5iE1 TRP 312 HB3 0.08 0.18 0.03 -0.04 3.23 3.48 2r5iE1 TRP 312 HD1 0.01 -0.00 0.03 -0.04 7.22 7.21 2r5iE1 TRP 312 HE1 -0.03 0.02 -0.06 -0.04 10.20 10.10 2r5iE1 TRP 312 HE3 0.07 0.22 0.07 -0.04 7.59 7.91 2r5iE1 TRP 312 HZ2 -0.02 0.01 -0.22 -0.04 7.44 7.17 2r5iE1 TRP 312 HZ3 0.09 -0.03 -0.15 -0.04 7.13 7.00 2r5iE1 TRP 312 HH2 0.08 0.05 -0.24 -0.04 7.19 7.04 2r5iE1 LEU 313 H 0.18 0.26 -0.16 -0.55 8.37 8.10 2r5iE1 LEU 313 HA 0.39 0.07 0.72 -0.75 4.35 4.78 2r5iE1 LEU 313 HB2 0.14 0.01 -0.10 -0.04 1.64 1.65 2r5iE1 LEU 313 HB3 0.13 -0.04 -0.12 -0.04 1.64 1.57 2r5iE1 LEU 313 HG -0.00 0.17 0.01 -0.04 1.64 1.78 2r5iE1 LEU 313 HD13 -0.16 -0.02 -0.12 -0.04 0.93 0.59 2r5iE1 LEU 313 HD23 -0.15 -0.04 -0.31 -0.04 0.89 0.35 2r5iE1 HIS 314 H 0.49 0.08 0.10 -0.55 8.41 8.54 2r5iE1 HIS 314 HA 0.10 0.16 0.56 -0.75 4.63 4.69 2r5iE1 HIS 314 HB2 0.07 0.01 0.02 -0.04 3.26 3.32 2r5iE1 HIS 314 HB3 0.11 0.03 -0.06 -0.04 3.20 3.24 2r5iE1 HIS 314 HD2 0.06 -0.00 -0.01 -0.04 6.97 6.97 2r5iE1 HIS 314 HE1 0.12 -0.00 0.07 -0.04 7.75 7.90 2r5iE1 LYS 315 H -0.74 0.07 0.06 -0.55 8.42 7.25 2r5iE1 LYS 315 HA -0.08 0.11 0.62 -0.75 4.32 4.21 2r5iE1 LYS 315 HB2 -0.26 -0.07 0.08 -0.04 1.87 1.58 2r5iE1 LYS 315 HB3 -0.08 0.12 -0.02 -0.04 1.79 1.77 2r5iE1 LYS 315 HG2 -0.01 -0.02 0.05 -0.04 1.46 1.43 2r5iE1 LYS 315 HG3 -0.02 0.32 -0.12 -0.04 1.46 1.60 2r5iE1 LYS 315 HD2 0.06 -0.06 -0.09 -0.04 1.69 1.56 2r5iE1 LYS 315 HD3 0.02 -0.01 -0.02 -0.04 1.68 1.63 2r5iE1 LYS 315 HE2 0.04 -0.01 -0.00 -0.04 2.99 2.98 2r5iE1 LYS 315 HE3 0.07 0.04 -0.03 -0.04 2.99 3.03 2r5iE1 ALA 316 H -0.03 0.08 0.00 -0.55 8.40 7.91 2r5iE1 ALA 316 HA 0.07 0.09 0.39 -0.75 4.34 4.12 2r5iE1 ALA 316 HB3 0.09 -0.03 0.09 -0.04 1.41 1.52 2r5iE1 GLN 317 H 0.12 0.05 0.13 -0.55 8.47 8.21 2r5iE1 GLN 317 HA 0.02 0.13 0.56 -0.75 4.36 4.31 2r5iE1 GLN 317 HB2 0.03 0.02 0.07 -0.04 2.15 2.22 2r5iE1 GLN 317 HB3 0.05 -0.03 0.08 -0.04 2.02 2.07 2r5iE1 GLN 317 HG2 0.07 -0.08 -0.05 -0.04 2.40 2.31 2r5iE1 GLN 317 HG3 0.12 -0.08 0.16 -0.04 2.39 2.55 2r5iE1 GLN 317 HE21 0.05 0.09 0.09 -0.04 6.97 7.17 2r5iE1 GLN 317 HE22 0.09 0.41 0.20 -0.04 7.69 8.35 2r5iE1 GLY 318 H 0.11 -0.02 0.08 -0.55 8.43 8.04 2r5iE1 GLY 318 HA2 -0.06 0.18 0.38 -0.51 4.01 3.99 2r5iE1 GLY 318 HA3 0.09 -0.00 0.38 -0.51 4.01 3.96 2r5iE1 HIS 319 H 0.13 0.23 -0.01 -0.55 8.41 8.22 2r5iE1 HIS 319 HA 0.12 0.10 0.61 -0.75 4.63 4.71 2r5iE1 HIS 319 HB2 0.20 0.14 0.04 -0.04 3.26 3.61 2r5iE1 HIS 319 HB3 0.22 -0.05 -0.24 -0.04 3.20 3.10 2r5iE1 HIS 319 HD2 0.10 -0.13 -0.02 -0.04 6.97 6.87 2r5iE1 HIS 319 HE1 0.02 -0.03 0.03 -0.04 7.75 7.72 2r5iE1 ASN 320 H 0.29 0.19 -0.07 -0.55 8.53 8.40 2r5iE1 ASN 320 HA 0.28 0.01 0.63 -0.75 4.76 4.92 2r5iE1 ASN 320 HB2 0.45 0.07 0.00 -0.04 2.88 3.36 2r5iE1 ASN 320 HB3 0.39 0.26 0.16 -0.04 2.79 3.56 2r5iE1 ASN 320 HD21 -0.02 0.26 0.09 -0.04 7.03 7.33 2r5iE1 ASN 320 HD22 0.61 -0.01 -0.02 -0.04 7.74 8.28 2r5iE1 ASN 321 H 0.06 0.14 0.14 -0.55 8.53 8.32 2r5iE1 ASN 321 HA 0.00 0.12 0.50 -0.75 4.76 4.63 2r5iE1 ASN 321 HB2 0.02 -0.02 0.10 -0.04 2.88 2.93 2r5iE1 ASN 321 HB3 -0.05 0.03 0.17 -0.04 2.79 2.91 2r5iE1 ASN 321 HD21 -0.04 0.07 -0.21 -0.04 7.03 6.81 2r5iE1 ASN 321 HD22 -0.09 0.08 -0.14 -0.04 7.74 7.55 2r5iE1 GLY 322 H -0.25 0.36 -0.26 -0.55 8.43 7.73 2r5iE1 GLY 322 HA2 -2.61 0.00 0.24 -0.51 4.01 1.13 2r5iE1 GLY 322 HA3 -0.78 0.19 0.47 -0.51 4.01 3.38 2r5iE1 VAL 323 H -0.14 -0.01 -0.32 -0.55 8.24 7.21 2r5iE1 VAL 323 HA -0.24 0.17 0.72 -0.75 4.13 4.02 2r5iE1 VAL 323 HB -0.50 -0.10 0.07 -0.04 2.12 1.55 2r5iE1 VAL 323 HG13 -1.56 -0.01 -0.29 -0.04 0.97 -0.93 2r5iE1 VAL 323 HG23 -0.31 0.02 -0.13 -0.04 0.95 0.49 2r5iE1 CYS 324 H -0.09 0.82 0.32 -0.55 8.50 8.99 2r5iE1 CYS 324 HA 0.11 0.11 0.78 -0.75 4.58 4.82 2r5iE1 CYS 324 HB2 0.06 -0.05 0.25 -0.04 2.97 3.19 2r5iE1 CYS 324 HB3 0.06 0.24 0.09 -0.04 2.97 3.32 2r5iE1 TRP 325 H 0.14 0.27 0.11 -0.55 7.97 7.95 2r5iE1 TRP 325 HA 0.14 0.02 0.36 -0.75 4.62 4.39 2r5iE1 TRP 325 HB2 0.20 0.06 0.11 -0.04 3.23 3.56 2r5iE1 TRP 325 HB3 0.20 0.01 0.01 -0.04 3.23 3.40 2r5iE1 TRP 325 HD1 0.15 -0.00 0.01 -0.04 7.22 7.34 2r5iE1 TRP 325 HE1 0.21 -0.01 -0.04 -0.04 10.20 10.32 2r5iE1 TRP 325 HE3 0.14 -0.03 -0.03 -0.04 7.59 7.62 2r5iE1 TRP 325 HZ2 0.30 0.00 -0.05 -0.04 7.44 7.65 2r5iE1 TRP 325 HZ3 0.44 0.02 -0.13 -0.04 7.13 7.42 2r5iE1 TRP 325 HH2 0.35 0.04 -0.10 -0.04 7.19 7.43 2r5iE1 HIS 326 H 0.26 0.16 0.20 -0.55 8.41 8.48 2r5iE1 HIS 326 HA 0.09 0.04 0.33 -0.75 4.63 4.33 2r5iE1 HIS 326 HB2 0.16 0.35 0.13 -0.04 3.26 3.86 2r5iE1 HIS 326 HB3 0.08 -0.01 0.17 -0.04 3.20 3.40 2r5iE1 HIS 326 HD2 -0.02 0.02 -0.03 -0.04 6.97 6.89 2r5iE1 HIS 326 HE1 -0.17 -0.06 -0.18 -0.04 7.75 7.30 2r5iE1 ASN 327 H 0.21 0.23 -0.20 -0.55 8.53 8.22 2r5iE1 ASN 327 HA 0.11 0.10 0.27 -0.75 4.76 4.48 2r5iE1 ASN 327 HB2 0.04 0.18 0.06 -0.04 2.88 3.12 2r5iE1 ASN 327 HB3 0.08 -0.01 -0.12 -0.04 2.79 2.69 2r5iE1 ASN 327 HD21 0.08 -0.06 -0.11 -0.04 7.03 6.90 2r5iE1 ASN 327 HD22 0.05 0.11 -0.21 -0.04 7.74 7.64 2r5iE1 GLN 328 H 0.12 0.25 -0.45 -0.55 8.47 7.84 2r5iE1 GLN 328 HA -0.10 0.23 0.74 -0.75 4.36 4.47 2r5iE1 GLN 328 HB2 0.13 0.07 -0.12 -0.04 2.15 2.19 2r5iE1 GLN 328 HB3 0.02 -0.04 -0.14 -0.04 2.02 1.82 2r5iE1 GLN 328 HG2 -0.21 -0.01 -0.05 -0.04 2.40 2.10 2r5iE1 GLN 328 HG3 0.00 0.09 -0.13 -0.04 2.39 2.30 2r5iE1 GLN 328 HE21 0.41 -0.08 -0.09 -0.04 6.97 7.17 2r5iE1 GLN 328 HE22 0.22 0.12 -0.10 -0.04 7.69 7.89 2r5iE1 LEU 329 H -0.33 0.33 0.08 -0.55 8.37 7.90 2r5iE1 LEU 329 HA 0.06 0.09 0.43 -0.75 4.35 4.17 2r5iE1 LEU 329 HB2 0.02 0.22 -0.08 -0.04 1.64 1.75 2r5iE1 LEU 329 HB3 -0.13 -0.06 -0.09 -0.04 1.64 1.32 2r5iE1 LEU 329 HG 0.18 0.07 0.00 -0.04 1.64 1.86 2r5iE1 LEU 329 HD13 0.22 -0.02 -0.12 -0.04 0.93 0.98 2r5iE1 LEU 329 HD23 0.06 -0.03 -0.34 -0.04 0.89 0.54 2r5iE1 PHE 330 H 0.21 0.80 0.34 -0.55 8.34 9.13 2r5iE1 PHE 330 HA -0.09 0.35 1.34 -0.75 4.62 5.46 2r5iE1 PHE 330 HB2 -0.16 0.09 -0.10 -0.04 3.15 2.94 2r5iE1 PHE 330 HB3 -0.19 -0.05 -0.12 -0.04 3.06 2.66 2r5iE1 PHE 330 HD2 -0.44 0.01 -0.31 -0.04 7.28 6.50 2r5iE1 PHE 330 HE2 -0.99 0.07 -0.23 -0.04 7.38 6.18 2r5iE1 PHE 330 HZ -0.35 0.01 -0.14 -0.04 7.32 6.79 2r5iE1 VAL 331 H 0.12 0.59 0.31 -0.55 8.24 8.71 2r5iE1 VAL 331 HA 0.16 0.32 1.02 -0.75 4.13 4.88 2r5iE1 VAL 331 HB 0.24 -0.08 0.23 -0.04 2.12 2.47 2r5iE1 VAL 331 HG13 0.12 -0.01 -0.17 -0.04 0.97 0.86 2r5iE1 VAL 331 HG23 0.20 -0.00 -0.20 -0.04 0.95 0.91 2r5iE1 THR 332 H 0.14 0.61 0.37 -0.55 8.28 8.85 2r5iE1 THR 332 HA 0.12 0.29 1.03 -0.75 4.39 5.07 2r5iE1 THR 332 HB 0.10 -0.10 0.14 -0.04 4.32 4.42 2r5iE1 THR 332 HG23 0.14 0.00 -0.15 -0.04 1.22 1.18 2r5iE1 VAL 333 H 0.14 0.58 0.39 -0.55 8.24 8.80 2r5iE1 VAL 333 HA 0.20 0.35 1.12 -0.75 4.13 5.05 2r5iE1 VAL 333 HB 0.13 -0.01 0.06 -0.04 2.12 2.26 2r5iE1 VAL 333 HG13 0.14 -0.00 -0.14 -0.04 0.97 0.92 2r5iE1 VAL 333 HG23 0.13 -0.02 -0.24 -0.04 0.95 0.78 2r5iE1 VAL 334 H 0.25 0.76 0.39 -0.55 8.24 9.08 2r5iE1 VAL 334 HA 0.07 0.25 0.70 -0.75 4.13 4.39 2r5iE1 VAL 334 HB 0.05 -0.12 0.04 -0.04 2.12 2.05 2r5iE1 VAL 334 HG13 -0.02 0.03 -0.20 -0.04 0.97 0.74 2r5iE1 VAL 334 HG23 -0.36 0.00 -0.29 -0.04 0.95 0.26 2r5iE1 ASP 335 H 0.12 0.34 0.05 -0.55 8.40 8.36 2r5iE1 ASP 335 HA 0.24 0.15 0.88 -0.75 4.63 5.14 2r5iE1 ASP 335 HB2 0.43 0.05 -0.04 -0.04 2.71 3.11 2r5iE1 ASP 335 HB3 0.12 0.05 0.12 -0.04 2.70 2.94 2r5iE1 THR 336 H 0.07 0.58 0.27 -0.55 8.28 8.65 2r5iE1 THR 336 HA -0.19 0.24 0.55 -0.75 4.39 4.24 2r5iE1 THR 336 HB -0.30 0.03 0.13 -0.04 4.32 4.14 2r5iE1 THR 336 HG23 0.06 0.11 0.02 -0.04 1.22 1.38 2r5iE1 THR 337 H 0.07 0.07 -0.33 -0.55 8.28 7.54 2r5iE1 THR 337 HA 0.04 0.11 0.34 -0.75 4.39 4.13 2r5iE1 THR 337 HB 0.04 -0.02 0.05 -0.04 4.32 4.36 2r5iE1 THR 337 HG23 0.06 -0.01 -0.01 -0.04 1.22 1.22 2r5iE1 ARG 338 H 0.03 0.14 -0.48 -0.55 8.46 7.59 2r5iE1 ARG 338 HA 0.03 0.11 0.99 -0.75 4.34 4.72 2r5iE1 ARG 338 HB2 0.02 -0.02 0.10 -0.04 1.90 1.96 2r5iE1 ARG 338 HB3 0.03 0.06 -0.03 -0.04 1.80 1.82 2r5iE1 ARG 338 HG2 0.02 0.13 -0.49 -0.04 1.67 1.28 2r5iE1 ARG 338 HG3 0.03 -0.19 -0.46 -0.04 1.67 1.01 2r5iE1 ARG 338 HD2 -0.05 -0.12 -0.19 -0.04 3.22 2.82 2r5iE1 ARG 338 HD3 -0.04 -0.01 -0.36 -0.04 3.22 2.77 2r5iE1 SER 339 H 0.02 0.38 -0.25 -0.55 8.46 8.06 2r5iE1 SER 339 HA -0.02 0.25 0.88 -0.75 4.49 4.84 2r5iE1 SER 339 HB2 -0.19 -0.08 0.10 -0.04 3.95 3.74 2r5iE1 SER 339 HB3 -0.25 0.02 -0.12 -0.04 3.93 3.54 2r5iE1 THR 340 H 0.08 0.11 -0.23 -0.55 8.28 7.69 2r5iE1 THR 340 HA 0.03 0.25 0.46 -0.75 4.39 4.37 2r5iE1 THR 340 HB 0.04 0.02 -0.05 -0.04 4.32 4.29 2r5iE1 THR 340 HG23 0.03 -0.03 0.10 -0.04 1.22 1.28 2r5iE1 ASN 341 H 0.03 0.12 0.20 -0.55 8.53 8.33 2r5iE1 ASN 341 HA 0.10 0.18 0.89 -0.75 4.76 5.18 2r5iE1 ASN 341 HB2 0.01 -0.09 0.19 -0.04 2.88 2.95 2r5iE1 ASN 341 HB3 -0.04 0.03 -0.01 -0.04 2.79 2.74 2r5iE1 ASN 341 HD21 0.02 -0.01 -0.02 -0.04 7.03 6.98 2r5iE1 ASN 341 HD22 0.05 -0.02 0.05 -0.04 7.74 7.78 2r5iE1 LEU 342 H 0.05 0.53 0.33 -0.55 8.37 8.73 2r5iE1 LEU 342 HA 0.02 0.02 0.44 -0.75 4.35 4.08 2r5iE1 LEU 342 HB2 0.02 -0.03 0.12 -0.04 1.64 1.71 2r5iE1 LEU 342 HB3 0.02 0.02 0.03 -0.04 1.64 1.67 2r5iE1 LEU 342 HG 0.04 0.08 0.11 -0.04 1.64 1.83 2r5iE1 LEU 342 HD13 0.01 -0.01 -0.03 -0.04 0.93 0.85 2r5iE1 LEU 342 HD23 0.02 -0.01 -0.06 -0.04 0.89 0.80 2r5iE1 THR 343 H 0.02 0.17 0.25 -0.55 8.28 8.18 2r5iE1 THR 343 HA 0.03 0.24 0.87 -0.75 4.39 4.77 2r5iE1 THR 343 HB 0.02 -0.05 0.22 -0.04 4.32 4.47 2r5iE1 THR 343 HG23 0.03 -0.02 -0.21 -0.04 1.22 0.99 2r5iE1 ILE 344 H 0.09 0.74 0.27 -0.55 8.25 8.80 2r5iE1 ILE 344 HA 0.06 0.13 0.84 -0.75 4.18 4.45 2r5iE1 ILE 344 HB 0.07 -0.02 -0.03 -0.04 1.89 1.86 2r5iE1 ILE 344 HG12 0.02 0.05 -0.02 -0.04 1.49 1.49 2r5iE1 ILE 344 HG13 0.02 -0.05 -0.64 -0.04 1.21 0.50 2r5iE1 ILE 344 HG23 -0.01 -0.00 -0.20 -0.04 0.93 0.67 2r5iE1 ILE 344 HD13 -0.02 -0.00 -0.14 -0.04 0.88 0.68 2r5iE1 CYS 345 H 0.10 0.24 0.13 -0.55 8.50 8.43 2r5iE1 CYS 345 HA 0.27 0.34 1.07 -0.75 4.58 5.50 2r5iE1 CYS 345 HB2 0.22 0.10 -0.11 -0.04 2.97 3.14 2r5iE1 CYS 345 HB3 0.12 -0.08 -0.11 -0.04 2.97 2.86 2r5iE1 ALA 346 H 0.26 0.39 0.26 -0.55 8.40 8.76 2r5iE1 ALA 346 HA 0.12 0.19 0.99 -0.75 4.34 4.88 2r5iE1 ALA 346 HB3 0.05 0.01 0.06 -0.04 1.41 1.49 2r5iE1 SER 347 H -0.03 0.14 0.20 -0.55 8.46 8.22 2r5iE1 SER 347 HA -0.42 0.15 1.07 -0.75 4.49 4.54 2r5iE1 SER 347 HB2 -0.60 -0.09 0.27 -0.04 3.95 3.49 2r5iE1 SER 347 HB3 -0.89 -0.03 0.10 -0.04 3.93 3.07 2r5iE1 THR 348 H -0.29 0.83 0.38 -0.55 8.28 8.65 2r5iE1 THR 348 HA -0.06 0.10 0.69 -0.75 4.39 4.36 2r5iE1 THR 348 HB -0.13 -0.03 0.19 -0.04 4.32 4.30 2r5iE1 THR 348 HG23 -0.05 -0.02 -0.11 -0.04 1.22 1.00 2r5iE1 GLN 349 H -0.19 0.09 0.14 -0.55 8.47 7.95 2r5iE1 GLN 349 HA -0.06 0.07 0.58 -0.75 4.36 4.19 2r5iE1 GLN 349 HB2 -0.10 -0.10 0.02 -0.04 2.15 1.93 2r5iE1 GLN 349 HB3 -0.06 -0.01 0.10 -0.04 2.02 2.01 2r5iE1 GLN 349 HG2 -0.15 0.02 0.16 -0.04 2.40 2.39 2r5iE1 GLN 349 HG3 -0.07 0.00 0.08 -0.04 2.39 2.36 2r5iE1 GLN 349 HE21 -0.05 0.03 -0.04 -0.04 6.97 6.87 2r5iE1 GLN 349 HE22 -0.09 -0.02 0.00 -0.04 7.69 7.54 2r5iE1 SER 350 H -0.04 0.09 0.15 -0.55 8.46 8.12 2r5iE1 SER 350 HA -0.03 0.17 0.60 -0.75 4.49 4.48 2r5iE1 SER 350 HB2 -0.02 0.02 0.11 -0.04 3.95 4.02 2r5iE1 SER 350 HB3 -0.02 -0.04 0.15 -0.04 3.93 3.99 2r5iE1 PRO 351 HA -0.00 0.15 0.37 -0.51 4.44 4.44 2r5iE1 PRO 351 HB2 -0.00 -0.01 -0.07 -0.04 2.28 2.16 2r5iE1 PRO 351 HB3 -0.00 0.04 0.05 -0.04 2.02 2.07 2r5iE1 PRO 351 HG2 -0.01 0.03 0.04 -0.04 2.03 2.05 2r5iE1 PRO 351 HG3 -0.01 0.05 0.04 -0.04 2.03 2.07 2r5iE1 PRO 351 HD2 -0.03 0.04 0.08 -0.04 3.68 3.73 2r5iE1 PRO 351 HD3 -0.02 0.03 0.20 -0.04 3.65 3.81 2r5iE1 VAL 352 H -0.04 -0.03 -0.50 -0.55 8.24 7.12 2r5iE1 VAL 352 HA -0.07 -0.01 0.22 -0.75 4.13 3.52 2r5iE1 VAL 352 HB 0.03 0.20 0.30 -0.04 2.12 2.61 2r5iE1 VAL 352 HG13 0.10 -0.02 -0.01 -0.04 0.97 1.00 2r5iE1 VAL 352 HG23 -0.00 0.04 -0.23 -0.04 0.95 0.72 2r5iE1 PRO 353 HA 0.02 -0.00 0.15 -0.51 4.44 4.10 2r5iE1 PRO 353 HB2 0.03 -0.09 0.02 -0.04 2.28 2.20 2r5iE1 PRO 353 HB3 0.01 0.01 0.09 -0.04 2.02 2.08 2r5iE1 PRO 353 HG2 0.02 0.18 0.07 -0.04 2.03 2.25 2r5iE1 PRO 353 HG3 -0.03 0.01 0.08 -0.04 2.03 2.04 2r5iE1 PRO 353 HD2 -0.10 0.14 0.12 -0.04 3.68 3.81 2r5iE1 PRO 353 HD3 -0.05 -0.01 0.12 -0.04 3.65 3.67 2r5iE1 GLY 354 H 0.04 0.10 0.11 -0.55 8.43 8.12 2r5iE1 GLY 354 HA2 0.06 0.16 0.41 -0.51 4.01 4.13 2r5iE1 GLY 354 HA3 0.04 -0.01 0.33 -0.51 4.01 3.86 2r5iE1 GLN 355 H 0.06 -0.02 -0.59 -0.55 8.47 7.37 2r5iE1 GLN 355 HA 0.09 0.14 0.77 -0.75 4.36 4.61 2r5iE1 GLN 355 HB2 0.04 -0.06 -0.03 -0.04 2.15 2.06 2r5iE1 GLN 355 HB3 0.05 -0.02 0.01 -0.04 2.02 2.02 2r5iE1 GLN 355 HG2 0.04 -0.02 -0.08 -0.04 2.40 2.30 2r5iE1 GLN 355 HG3 0.07 0.09 -0.08 -0.04 2.39 2.42 2r5iE1 GLN 355 HE21 0.03 -0.00 -0.02 -0.04 6.97 6.93 2r5iE1 GLN 355 HE22 0.03 -0.01 -0.03 -0.04 7.69 7.64 2r5iE1 TYR 356 H 0.20 0.15 0.09 -0.55 8.29 8.18 2r5iE1 TYR 356 HA 0.15 0.12 0.53 -0.75 4.56 4.61 2r5iE1 TYR 356 HB2 0.01 0.06 0.04 -0.04 3.06 3.13 2r5iE1 TYR 356 HB3 0.01 -0.03 0.11 -0.04 2.98 3.03 2r5iE1 TYR 356 HD2 -0.11 0.02 -0.13 -0.04 7.15 6.90 2r5iE1 TYR 356 HE2 -0.25 0.01 -0.10 -0.04 6.85 6.47 2r5iE1 ASP 357 H -0.14 0.29 0.10 -0.55 8.40 8.11 2r5iE1 ASP 357 HA -0.23 0.13 0.80 -0.75 4.63 4.57 2r5iE1 ASP 357 HB2 -0.03 0.10 -0.19 -0.04 2.71 2.55 2r5iE1 ASP 357 HB3 -0.04 -0.03 0.10 -0.04 2.70 2.69 2r5iE1 ALA 358 H -0.28 0.20 0.08 -0.55 8.40 7.85 2r5iE1 ALA 358 HA -0.23 0.10 0.27 -0.75 4.34 3.73 2r5iE1 ALA 358 HB3 0.00 0.01 0.11 -0.04 1.41 1.50 2r5iE1 THR 359 H -0.04 0.04 -0.09 -0.55 8.28 7.64 2r5iE1 THR 359 HA 0.01 0.11 0.27 -0.75 4.39 4.03 2r5iE1 THR 359 HB -0.01 0.05 0.07 -0.04 4.32 4.39 2r5iE1 THR 359 HG23 -0.01 -0.01 0.06 -0.04 1.22 1.22 2r5iE1 LYS 360 H 0.01 0.33 -0.55 -0.55 8.42 7.66 2r5iE1 LYS 360 HA -0.09 0.05 0.47 -0.75 4.32 3.99 2r5iE1 LYS 360 HB2 -0.06 -0.12 0.07 -0.04 1.87 1.73 2r5iE1 LYS 360 HB3 -0.09 0.21 0.12 -0.04 1.79 1.98 2r5iE1 LYS 360 HG2 -0.21 -0.16 0.25 -0.04 1.46 1.29 2r5iE1 LYS 360 HG3 -0.10 -0.01 0.07 -0.04 1.46 1.39 2r5iE1 LYS 360 HD2 -0.11 -0.06 0.09 -0.04 1.69 1.56 2r5iE1 LYS 360 HD3 -0.06 0.08 0.07 -0.04 1.68 1.73 2r5iE1 LYS 360 HE2 -1.06 0.09 -0.03 -0.04 2.99 1.94 2r5iE1 LYS 360 HE3 -0.55 -0.15 0.12 -0.04 2.99 2.37 2r5iE1 PHE 361 H 0.17 0.55 -0.28 -0.55 8.34 8.23 2r5iE1 PHE 361 HA 0.02 0.10 0.96 -0.75 4.62 4.94 2r5iE1 PHE 361 HB2 -0.01 0.08 0.07 -0.04 3.15 3.25 2r5iE1 PHE 361 HB3 0.04 0.01 -0.15 -0.04 3.06 2.92 2r5iE1 PHE 361 HD2 -0.05 0.14 -0.22 -0.04 7.28 7.12 2r5iE1 PHE 361 HE2 -0.03 -0.08 -0.07 -0.04 7.38 7.16 2r5iE1 PHE 361 HZ 0.07 0.06 -0.11 -0.04 7.32 7.30 2r5iE1 LYS 362 H 0.14 0.81 0.29 -0.55 8.42 9.10 2r5iE1 LYS 362 HA 0.01 0.14 0.94 -0.75 4.32 4.66 2r5iE1 LYS 362 HB2 0.23 -0.01 0.09 -0.04 1.87 2.14 2r5iE1 LYS 362 HB3 -0.08 0.01 -0.07 -0.04 1.79 1.61 2r5iE1 LYS 362 HG2 -0.00 0.04 -0.05 -0.04 1.46 1.41 2r5iE1 LYS 362 HG3 0.04 -0.00 -0.14 -0.04 1.46 1.32 2r5iE1 LYS 362 HD2 0.15 -0.00 -0.06 -0.04 1.69 1.74 2r5iE1 LYS 362 HD3 0.00 -0.00 -0.04 -0.04 1.68 1.60 2r5iE1 LYS 362 HE2 0.01 0.01 -0.04 -0.04 2.99 2.93 2r5iE1 LYS 362 HE3 0.03 0.01 -0.05 -0.04 2.99 2.94 2r5iE1 GLN 363 H -0.10 0.16 0.17 -0.55 8.47 8.16 2r5iE1 GLN 363 HA 0.10 0.20 0.86 -0.75 4.36 4.76 2r5iE1 GLN 363 HB2 0.01 0.01 0.02 -0.04 2.15 2.15 2r5iE1 GLN 363 HB3 -0.04 -0.02 0.08 -0.04 2.02 2.00 2r5iE1 GLN 363 HG2 0.01 -0.04 -0.05 -0.04 2.40 2.28 2r5iE1 GLN 363 HG3 0.03 0.08 -0.03 -0.04 2.39 2.44 2r5iE1 GLN 363 HE21 0.03 -0.01 -0.12 -0.04 6.97 6.82 2r5iE1 GLN 363 HE22 0.04 0.00 -0.10 -0.04 7.69 7.59 2r5iE1 TYR 364 H 0.24 0.90 0.50 -0.55 8.29 9.37 2r5iE1 TYR 364 HA -0.01 0.17 1.06 -0.75 4.56 5.04 2r5iE1 TYR 364 HB2 -0.00 -0.01 0.05 -0.04 3.06 3.06 2r5iE1 TYR 364 HB3 -0.02 -0.01 0.05 -0.04 2.98 2.95 2r5iE1 TYR 364 HD2 0.02 0.08 -0.08 -0.04 7.15 7.13 2r5iE1 TYR 364 HE2 0.02 -0.02 -0.10 -0.04 6.85 6.71 2r5iE1 SER 365 H 0.02 0.19 0.20 -0.55 8.46 8.32 2r5iE1 SER 365 HA -0.02 0.35 1.10 -0.75 4.49 5.16 2r5iE1 SER 365 HB2 -0.13 -0.04 -0.05 -0.04 3.95 3.70 2r5iE1 SER 365 HB3 -0.31 -0.07 0.21 -0.04 3.93 3.72 2r5iE1 ARG 366 H -0.01 0.73 0.28 -0.55 8.46 8.90 2r5iE1 ARG 366 HA -0.04 0.29 1.20 -0.75 4.34 5.03 2r5iE1 ARG 366 HB2 -0.00 -0.07 -0.00 -0.04 1.90 1.78 2r5iE1 ARG 366 HB3 -0.01 0.00 0.02 -0.04 1.80 1.77 2r5iE1 ARG 366 HG2 0.01 -0.13 -0.54 -0.04 1.67 0.97 2r5iE1 ARG 366 HG3 -0.02 -0.03 -0.14 -0.04 1.67 1.44 2r5iE1 ARG 366 HD2 -0.02 -0.07 -0.13 -0.04 3.22 2.96 2r5iE1 ARG 366 HD3 -0.04 0.25 0.16 -0.04 3.22 3.54 2r5iE1 HIS 367 H 0.04 0.74 0.43 -0.55 8.41 9.08 2r5iE1 HIS 367 HA -0.01 0.17 1.26 -0.75 4.63 5.30 2r5iE1 HIS 367 HB2 -0.03 -0.10 -0.03 -0.04 3.26 3.06 2r5iE1 HIS 367 HB3 -0.00 0.29 0.04 -0.04 3.20 3.48 2r5iE1 HIS 367 HD2 0.05 -0.01 -0.56 -0.04 6.97 6.39 2r5iE1 HIS 367 HE1 -0.00 0.13 0.12 -0.04 7.75 7.95 2r5iE1 VAL 368 H -0.48 0.25 0.24 -0.55 8.24 7.71 2r5iE1 VAL 368 HA -0.14 0.24 1.09 -0.75 4.13 4.57 2r5iE1 VAL 368 HB -0.11 0.01 0.10 -0.04 2.12 2.07 2r5iE1 VAL 368 HG13 -0.06 -0.02 -0.22 -0.04 0.97 0.63 2r5iE1 VAL 368 HG23 -0.04 -0.01 -0.13 -0.04 0.95 0.73 2r5iE1 GLU 369 H -0.02 0.44 0.32 -0.55 8.60 8.80 2r5iE1 GLU 369 HA -0.06 0.13 0.75 -0.75 4.29 4.35 2r5iE1 GLU 369 HB2 0.02 0.06 -0.37 -0.04 2.09 1.75 2r5iE1 GLU 369 HB3 0.25 -0.07 0.03 -0.04 1.99 2.17 2r5iE1 GLU 369 HG2 0.38 0.00 -0.10 -0.04 2.34 2.58 2r5iE1 GLU 369 HG3 0.50 -0.08 -0.10 -0.04 2.34 2.62 2r5iE1 GLU 370 H -0.12 0.18 0.10 -0.55 8.60 8.20 2r5iE1 GLU 370 HA 0.11 0.33 1.13 -0.75 4.29 5.10 2r5iE1 GLU 370 HB2 0.01 0.04 -0.00 -0.04 2.09 2.09 2r5iE1 GLU 370 HB3 -0.05 -0.22 0.19 -0.04 1.99 1.86 2r5iE1 GLU 370 HG2 -0.06 -0.02 -0.19 -0.04 2.34 2.03 2r5iE1 GLU 370 HG3 0.01 0.13 -0.03 -0.04 2.34 2.41 2r5iE1 TYR 371 H 0.23 0.30 0.14 -0.55 8.29 8.41 2r5iE1 TYR 371 HA -0.14 0.29 0.96 -0.75 4.56 4.92 2r5iE1 TYR 371 HB2 -0.32 -0.07 -0.03 -0.04 3.06 2.60 2r5iE1 TYR 371 HB3 -0.39 -0.04 0.05 -0.04 2.98 2.55 2r5iE1 TYR 371 HD2 -0.10 -0.01 -0.17 -0.04 7.15 6.83 2r5iE1 TYR 371 HE2 -0.02 0.00 -0.12 -0.04 6.85 6.67 2r5iE1 ASP 372 H -0.12 0.43 0.23 -0.55 8.40 8.39 2r5iE1 ASP 372 HA -0.13 -0.03 0.40 -0.75 4.63 4.12 2r5iE1 ASP 372 HB2 -0.06 0.12 0.03 -0.04 2.71 2.75 2r5iE1 ASP 372 HB3 -0.10 -0.05 -0.09 -0.04 2.70 2.42 2r5iE1 LEU 373 H -0.20 0.15 0.13 -0.55 8.37 7.89 2r5iE1 LEU 373 HA -0.40 0.24 1.15 -0.75 4.35 4.59 2r5iE1 LEU 373 HB2 -0.05 -0.10 0.03 -0.04 1.64 1.48 2r5iE1 LEU 373 HB3 -0.37 0.06 0.00 -0.04 1.64 1.29 2r5iE1 LEU 373 HG -0.55 -0.09 -0.12 -0.04 1.64 0.84 2r5iE1 LEU 373 HD13 -0.79 0.01 -0.09 -0.04 0.93 0.02 2r5iE1 LEU 373 HD23 -0.54 0.06 -0.23 -0.04 0.89 0.14 2r5iE1 GLN 374 H -0.75 0.26 0.31 -0.55 8.47 7.74 2r5iE1 GLN 374 HA -0.32 0.25 1.03 -0.75 4.36 4.57 2r5iE1 GLN 374 HB2 -0.33 0.04 0.09 -0.04 2.15 1.91 2r5iE1 GLN 374 HB3 -0.25 -0.05 -0.05 -0.04 2.02 1.63 2r5iE1 GLN 374 HG2 -0.07 0.09 -0.03 -0.04 2.40 2.35 2r5iE1 GLN 374 HG3 -0.16 -0.01 -0.45 -0.04 2.39 1.73 2r5iE1 GLN 374 HE21 -0.06 -0.01 -0.08 -0.04 6.97 6.78 2r5iE1 GLN 374 HE22 -0.11 0.03 -0.12 -0.04 7.69 7.45 2r5iE1 PHE 375 H -0.49 0.46 0.37 -0.55 8.34 8.12 2r5iE1 PHE 375 HA -0.48 0.24 1.01 -0.75 4.62 4.64 2r5iE1 PHE 375 HB2 -0.90 -0.03 -0.11 -0.04 3.15 2.07 2r5iE1 PHE 375 HB3 -1.22 0.03 0.04 -0.04 3.06 1.87 2r5iE1 PHE 375 HD2 -0.36 0.12 -0.17 -0.04 7.28 6.84 2r5iE1 PHE 375 HE2 -0.15 -0.03 -0.20 -0.04 7.38 6.96 2r5iE1 PHE 375 HZ -0.17 -0.02 -0.14 -0.04 7.32 6.95 2r5iE1 ILE 376 H -0.42 0.49 0.25 -0.55 8.25 8.02 2r5iE1 ILE 376 HA -0.38 0.29 0.93 -0.75 4.18 4.26 2r5iE1 ILE 376 HB -0.26 -0.07 -0.04 -0.04 1.89 1.48 2r5iE1 ILE 376 HG12 -0.16 -0.15 -0.60 -0.04 1.49 0.54 2r5iE1 ILE 376 HG13 -0.02 0.04 -0.23 -0.04 1.21 0.96 2r5iE1 ILE 376 HG23 -0.85 0.03 -0.17 -0.04 0.93 -0.10 2r5iE1 ILE 376 HD13 -0.12 0.01 -0.14 -0.04 0.88 0.58 2r5iE1 PHE 377 H -0.16 0.74 0.30 -0.55 8.34 8.66 2r5iE1 PHE 377 HA -0.08 0.23 0.99 -0.75 4.62 5.00 2r5iE1 PHE 377 HB2 -0.71 -0.04 -0.03 -0.04 3.15 2.33 2r5iE1 PHE 377 HB3 -0.31 -0.00 -0.08 -0.04 3.06 2.63 2r5iE1 PHE 377 HD2 -0.72 0.03 -0.33 -0.04 7.28 6.22 2r5iE1 PHE 377 HE2 -0.51 -0.00 -0.20 -0.04 7.38 6.62 2r5iE1 PHE 377 HZ -0.95 -0.00 -0.21 -0.04 7.32 6.11 2r5iE1 GLN 378 H 0.31 0.79 0.41 -0.55 8.47 9.43 2r5iE1 GLN 378 HA 0.13 0.28 1.16 -0.75 4.36 5.18 2r5iE1 GLN 378 HB2 0.32 0.01 -0.02 -0.04 2.15 2.42 2r5iE1 GLN 378 HB3 0.14 -0.03 0.13 -0.04 2.02 2.22 2r5iE1 GLN 378 HG2 -0.16 -0.01 -0.05 -0.04 2.40 2.14 2r5iE1 GLN 378 HG3 -1.01 0.06 0.02 -0.04 2.39 1.42 2r5iE1 GLN 378 HE21 0.19 -0.06 0.01 -0.04 6.97 7.08 2r5iE1 GLN 378 HE22 -0.32 0.10 0.07 -0.04 7.69 7.49 2r5iE1 LEU 379 H 0.20 0.44 0.25 -0.55 8.37 8.71 2r5iE1 LEU 379 HA -0.04 0.08 0.69 -0.75 4.35 4.33 2r5iE1 LEU 379 HB2 0.28 -0.01 0.05 -0.04 1.64 1.93 2r5iE1 LEU 379 HB3 0.02 -0.11 0.16 -0.04 1.64 1.67 2r5iE1 LEU 379 HG -0.30 0.06 -0.27 -0.04 1.64 1.10 2r5iE1 LEU 379 HD13 -0.95 0.01 -0.07 -0.04 0.93 -0.12 2r5iE1 LEU 379 HD23 -0.10 -0.02 -0.05 -0.04 0.89 0.67 2r5iE1 CYS 380 H -0.21 0.68 0.44 -0.55 8.50 8.87 2r5iE1 CYS 380 HA -0.09 0.23 1.30 -0.75 4.58 5.27 2r5iE1 CYS 380 HB2 -0.09 -0.06 -0.08 -0.04 2.97 2.70 2r5iE1 CYS 380 HB3 -0.07 0.06 -0.10 -0.04 2.97 2.82 2r5iE1 THR 381 H -0.06 0.61 0.31 -0.55 8.28 8.58 2r5iE1 THR 381 HA -0.14 0.34 1.15 -0.75 4.39 4.99 2r5iE1 THR 381 HB -0.01 -0.04 -0.08 -0.04 4.32 4.15 2r5iE1 THR 381 HG23 -0.10 0.02 -0.25 -0.04 1.22 0.84 2r5iE1 ILE 382 H -0.09 0.77 0.35 -0.55 8.25 8.73 2r5iE1 ILE 382 HA 0.09 0.30 1.20 -0.75 4.18 5.01 2r5iE1 ILE 382 HB -0.08 -0.10 0.11 -0.04 1.89 1.78 2r5iE1 ILE 382 HG12 0.27 0.19 0.01 -0.04 1.49 1.92 2r5iE1 ILE 382 HG13 0.12 -0.09 -0.39 -0.04 1.21 0.81 2r5iE1 ILE 382 HG23 0.31 0.07 -0.23 -0.04 0.93 1.04 2r5iE1 ILE 382 HD13 0.76 -0.02 -0.16 -0.04 0.88 1.42 2r5iE1 THR 383 H 0.08 0.22 0.13 -0.55 8.28 8.16 2r5iE1 THR 383 HA 0.00 0.08 0.51 -0.75 4.39 4.23 2r5iE1 THR 383 HB 0.04 -0.04 0.10 -0.04 4.32 4.38 2r5iE1 THR 383 HG23 0.01 0.00 -0.15 -0.04 1.22 1.04 2r5iE1 LEU 384 H -0.00 0.90 0.48 -0.55 8.37 9.20 2r5iE1 LEU 384 HA 0.09 0.01 0.55 -0.75 4.35 4.24 2r5iE1 LEU 384 HB2 0.01 0.11 0.18 -0.04 1.64 1.90 2r5iE1 LEU 384 HB3 0.07 -0.04 -0.04 -0.04 1.64 1.59 2r5iE1 LEU 384 HG -0.04 0.03 -0.05 -0.04 1.64 1.54 2r5iE1 LEU 384 HD13 0.07 0.01 -0.12 -0.04 0.93 0.85 2r5iE1 LEU 384 HD23 0.26 -0.02 -0.16 -0.04 0.89 0.94 2r5iE1 THR 385 H 0.06 0.08 0.27 -0.55 8.28 8.14 2r5iE1 THR 385 HA 0.02 0.28 0.90 -0.75 4.39 4.83 2r5iE1 THR 385 HB 0.02 -0.05 0.15 -0.04 4.32 4.40 2r5iE1 THR 385 HG23 0.03 0.09 -0.23 -0.04 1.22 1.07 2r5iE1 ALA 386 H 0.02 0.19 0.16 -0.55 8.40 8.22 2r5iE1 ALA 386 HA 0.02 0.15 0.35 -0.75 4.34 4.10 2r5iE1 ALA 386 HB3 0.01 0.02 0.15 -0.04 1.41 1.55 2r5iE1 ASP 387 H 0.02 0.13 0.01 -0.55 8.40 8.01 2r5iE1 ASP 387 HA 0.02 0.11 0.27 -0.75 4.63 4.28 2r5iE1 ASP 387 HB2 0.01 0.08 -0.01 -0.04 2.71 2.74 2r5iE1 ASP 387 HB3 0.01 0.05 0.08 -0.04 2.70 2.80 2r5iE1 VAL 388 H 0.02 -0.00 -0.31 -0.55 8.24 7.40 2r5iE1 VAL 388 HA -0.04 0.10 0.38 -0.75 4.13 3.82 2r5iE1 VAL 388 HB 0.06 -0.31 0.23 -0.04 2.12 2.07 2r5iE1 VAL 388 HG13 0.13 0.08 -0.08 -0.04 0.97 1.06 2r5iE1 VAL 388 HG23 0.04 0.04 0.09 -0.04 0.95 1.08 2r5iE1 MET 389 H 0.05 0.62 -0.13 -0.55 8.47 8.46 2r5iE1 MET 389 HA 0.07 0.03 0.45 -0.75 4.52 4.31 2r5iE1 MET 389 HB2 0.04 0.23 0.14 -0.04 2.15 2.52 2r5iE1 MET 389 HB3 0.03 -0.02 -0.10 -0.04 2.03 1.90 2r5iE1 MET 389 HG2 0.09 -0.02 -0.01 -0.04 2.63 2.66 2r5iE1 MET 389 HG3 0.12 -0.08 -0.04 -0.04 2.56 2.52 2r5iE1 MET 389 HE3 0.05 -0.02 -0.27 -0.04 2.10 1.82 2r5iE1 SER 390 H 0.03 0.53 -0.06 -0.55 8.46 8.41 2r5iE1 SER 390 HA -0.01 0.05 0.51 -0.75 4.49 4.28 2r5iE1 SER 390 HB2 0.00 -0.04 0.09 -0.04 3.95 3.96 2r5iE1 SER 390 HB3 0.01 0.07 0.09 -0.04 3.93 4.06 2r5iE1 TYR 391 H 0.09 0.51 -0.35 -0.55 8.29 7.98 2r5iE1 TYR 391 HA -0.06 0.04 0.43 -0.75 4.56 4.21 2r5iE1 TYR 391 HB2 -0.10 0.00 0.10 -0.04 3.06 3.01 2r5iE1 TYR 391 HB3 -0.19 0.10 0.25 -0.04 2.98 3.09 2r5iE1 TYR 391 HD2 -0.26 0.03 -0.04 -0.04 7.15 6.85 2r5iE1 TYR 391 HE2 -0.01 0.09 0.02 -0.04 6.85 6.91 2r5iE1 ILE 392 H 0.03 0.66 0.06 -0.55 8.25 8.45 2r5iE1 ILE 392 HA -0.26 -0.04 0.16 -0.75 4.18 3.28 2r5iE1 ILE 392 HB -0.05 0.08 0.04 -0.04 1.89 1.92 2r5iE1 ILE 392 HG12 0.02 -0.07 0.01 -0.04 1.49 1.41 2r5iE1 ILE 392 HG13 0.05 0.38 0.18 -0.04 1.21 1.78 2r5iE1 ILE 392 HG23 -0.35 -0.02 -0.13 -0.04 0.93 0.39 2r5iE1 ILE 392 HD13 0.28 -0.02 -0.11 -0.04 0.88 0.99 2r5iE1 GLN 393 H -0.09 0.39 -0.74 -0.55 8.47 7.48 2r5iE1 GLN 393 HA -0.14 -0.05 0.41 -0.75 4.36 3.83 2r5iE1 GLN 393 HB2 -0.06 0.13 0.14 -0.04 2.15 2.33 2r5iE1 GLN 393 HB3 -0.07 0.24 0.19 -0.04 2.02 2.33 2r5iE1 GLN 393 HG2 -0.05 -0.04 -0.03 -0.04 2.40 2.24 2r5iE1 GLN 393 HG3 -0.08 -0.02 -0.30 -0.04 2.39 1.95 2r5iE1 GLN 393 HE21 -0.08 -0.01 0.02 -0.04 6.97 6.86 2r5iE1 GLN 393 HE22 -0.10 -0.06 0.07 -0.04 7.69 7.55 2r5iE1 SER 394 H -0.12 0.50 0.06 -0.55 8.46 8.36 2r5iE1 SER 394 HA -0.10 -0.04 0.43 -0.75 4.49 4.03 2r5iE1 SER 394 HB2 -0.22 0.05 0.11 -0.04 3.95 3.86 2r5iE1 SER 394 HB3 -0.07 -0.06 0.01 -0.04 3.93 3.77 2r5iE1 MET 395 H -0.36 0.53 -0.23 -0.55 8.47 7.86 2r5iE1 MET 395 HA -0.50 -0.02 0.21 -0.75 4.52 3.46 2r5iE1 MET 395 HB2 -0.52 -0.02 0.01 -0.04 2.15 1.57 2r5iE1 MET 395 HB3 -0.49 0.04 0.06 -0.04 2.03 1.60 2r5iE1 MET 395 HG2 -0.64 0.01 -0.26 -0.04 2.63 1.70 2r5iE1 MET 395 HG3 -1.54 -0.07 -0.05 -0.04 2.56 0.86 2r5iE1 MET 395 HE3 -0.72 0.01 -0.04 -0.04 2.10 1.31 2r5iE1 ASN 396 H -0.35 0.54 -0.22 -0.55 8.53 7.95 2r5iE1 ASN 396 HA -0.23 0.09 0.64 -0.75 4.76 4.50 2r5iE1 ASN 396 HB2 -0.34 0.12 -0.25 -0.04 2.88 2.37 2r5iE1 ASN 396 HB3 -0.37 -0.06 0.06 -0.04 2.79 2.38 2r5iE1 ASN 396 HD21 -0.10 -0.00 -0.04 -0.04 7.03 6.85 2r5iE1 ASN 396 HD22 -0.10 0.02 -0.04 -0.04 7.74 7.57 2r5iE1 SER 397 H -0.16 0.21 0.12 -0.55 8.46 8.08 2r5iE1 SER 397 HA -0.17 0.11 0.31 -0.75 4.49 3.98 2r5iE1 SER 397 HB2 -0.10 -0.03 0.10 -0.04 3.95 3.87 2r5iE1 SER 397 HB3 -0.11 0.16 0.15 -0.04 3.93 4.10 2r5iE1 SER 398 H -0.12 0.09 -0.23 -0.55 8.46 7.66 2r5iE1 SER 398 HA -0.12 0.02 0.20 -0.75 4.49 3.84 2r5iE1 SER 398 HB2 0.15 0.02 0.01 -0.04 3.95 4.09 2r5iE1 SER 398 HB3 -0.03 0.03 0.08 -0.04 3.93 3.97 2r5iE1 ILE 399 H -0.31 0.66 -0.45 -0.55 8.25 7.59 2r5iE1 ILE 399 HA -0.82 -0.02 0.36 -0.75 4.18 2.95 2r5iE1 ILE 399 HB -0.62 0.16 0.12 -0.04 1.89 1.51 2r5iE1 ILE 399 HG12 -0.32 -0.10 -0.02 -0.04 1.49 1.02 2r5iE1 ILE 399 HG13 -0.36 0.16 0.08 -0.04 1.21 1.05 2r5iE1 ILE 399 HG23 -1.12 -0.03 -0.08 -0.04 0.93 -0.35 2r5iE1 ILE 399 HD13 -1.16 -0.02 -0.01 -0.04 0.88 -0.35 2r5iE1 LEU 400 H -0.41 0.47 0.00 -0.55 8.37 7.89 2r5iE1 LEU 400 HA -0.41 0.03 0.30 -0.75 4.35 3.51 2r5iE1 LEU 400 HB2 -0.16 0.11 0.07 -0.04 1.64 1.62 2r5iE1 LEU 400 HB3 -0.04 0.02 -0.07 -0.04 1.64 1.51 2r5iE1 LEU 400 HG -0.24 -0.04 -0.09 -0.04 1.64 1.23 2r5iE1 LEU 400 HD13 -0.06 0.01 -0.06 -0.04 0.93 0.78 2r5iE1 LEU 400 HD23 0.20 -0.01 -0.05 -0.04 0.89 0.98 2r5iE1 GLU 401 H -0.23 0.21 -0.32 -0.55 8.60 7.70 2r5iE1 GLU 401 HA -0.06 0.09 0.41 -0.75 4.29 3.97 2r5iE1 GLU 401 HB2 -0.12 -0.06 0.06 -0.04 2.09 1.93 2r5iE1 GLU 401 HB3 -0.08 0.04 -0.06 -0.04 1.99 1.85 2r5iE1 GLU 401 HG2 -0.04 0.01 0.05 -0.04 2.34 2.32 2r5iE1 GLU 401 HG3 -0.06 0.00 -0.01 -0.04 2.34 2.23 2r5iE1 ASP 402 H -0.27 0.49 -0.12 -0.55 8.40 7.95 2r5iE1 ASP 402 HA -0.03 0.05 0.35 -0.75 4.63 4.24 2r5iE1 ASP 402 HB2 -0.34 0.08 0.07 -0.04 2.71 2.49 2r5iE1 ASP 402 HB3 -0.03 -0.04 0.04 -0.04 2.70 2.62 2r5iE1 TRP 403 H -0.07 0.27 -0.49 -0.55 7.97 7.13 2r5iE1 TRP 403 HA -0.02 0.04 0.58 -0.75 4.62 4.47 2r5iE1 TRP 403 HB2 -0.02 0.17 0.04 -0.04 3.23 3.37 2r5iE1 TRP 403 HB3 -0.00 -0.05 0.11 -0.04 3.23 3.25 2r5iE1 TRP 403 HD1 -0.03 -0.00 -0.14 -0.04 7.22 7.01 2r5iE1 TRP 403 HE1 0.02 -0.02 0.00 -0.04 10.20 10.15 2r5iE1 TRP 403 HE3 -0.00 0.04 -0.07 -0.04 7.59 7.52 2r5iE1 TRP 403 HZ2 0.29 -0.03 -0.14 -0.04 7.44 7.52 2r5iE1 TRP 403 HZ3 0.04 -0.02 -0.13 -0.04 7.13 6.97 2r5iE1 TRP 403 HH2 0.23 -0.02 -0.13 -0.04 7.19 7.23 2r5iE1 ASN 404 H 0.08 0.47 -0.58 -0.55 8.53 7.96 2r5iE1 ASN 404 HA 0.04 0.08 0.22 -0.75 4.76 4.34 2r5iE1 ASN 404 HB2 0.06 0.11 -0.14 -0.04 2.88 2.86 2r5iE1 ASN 404 HB3 0.04 -0.08 0.05 -0.04 2.79 2.76 2r5iE1 ASN 404 HD21 0.04 -0.03 -0.00 -0.04 7.03 6.99 2r5iE1 ASN 404 HD22 0.05 -0.01 -0.10 -0.04 7.74 7.64 2r5iE1 ASN 438 HA -0.00 -0.07 0.18 -0.75 4.76 4.11 2r5iE1 ASN 438 HB2 0.01 -0.01 -0.06 -0.04 2.88 2.78 2r5iE1 ASN 438 HB3 -0.00 0.01 -0.07 -0.04 2.79 2.68 2r5iE1 ASN 438 HD21 0.00 0.03 0.44 -0.04 7.03 7.46 2r5iE1 ASN 438 HD22 0.01 -0.00 0.00 -0.04 7.74 7.71 2r5iE1 LYS 439 H -0.02 0.10 0.06 -0.55 8.42 8.01 2r5iE1 LYS 439 HA -0.01 0.16 0.89 -0.75 4.32 4.61 2r5iE1 LYS 439 HB2 -0.02 -0.03 0.11 -0.04 1.87 1.88 2r5iE1 LYS 439 HB3 -0.03 0.01 -0.10 -0.04 1.79 1.63 2r5iE1 LYS 439 HG2 -0.01 -0.02 -0.02 -0.04 1.46 1.37 2r5iE1 LYS 439 HG3 -0.01 0.03 0.04 -0.04 1.46 1.48 2r5iE1 LYS 439 HD2 -0.01 0.02 -0.26 -0.04 1.69 1.40 2r5iE1 LYS 439 HD3 -0.01 -0.02 -0.05 -0.04 1.68 1.56 2r5iE1 LYS 439 HE2 -0.01 -0.03 -0.03 -0.04 2.99 2.89 2r5iE1 LYS 439 HE3 -0.00 0.02 -0.03 -0.04 2.99 2.94 2r5iE1 ASP 440 H -0.01 0.19 0.14 -0.55 8.40 8.17 2r5iE1 ASP 440 HA -0.09 0.21 0.63 -0.75 4.63 4.61 2r5iE1 ASP 440 HB2 0.01 0.12 0.04 -0.04 2.71 2.85 2r5iE1 ASP 440 HB3 0.02 -0.02 0.14 -0.04 2.70 2.80 2r5iE1 PRO 441 HA -0.14 0.14 0.52 -0.51 4.44 4.45 2r5iE1 PRO 441 HB2 -0.37 0.02 0.10 -0.04 2.28 1.99 2r5iE1 PRO 441 HB3 -0.22 0.05 0.10 -0.04 2.02 1.91 2r5iE1 PRO 441 HG2 -1.04 0.04 0.01 -0.04 2.03 0.99 2r5iE1 PRO 441 HG3 -0.36 0.04 0.06 -0.04 2.03 1.73 2r5iE1 PRO 441 HD2 -0.40 0.09 0.18 -0.04 3.68 3.51 2r5iE1 PRO 441 HD3 -0.22 0.24 0.22 -0.04 3.65 3.85 2r5iE1 TYR 442 H -0.08 0.08 -0.64 -0.55 8.29 7.09 2r5iE1 TYR 442 HA 0.08 0.19 0.83 -0.75 4.56 4.90 2r5iE1 TYR 442 HB2 0.24 0.03 -0.07 -0.04 3.06 3.22 2r5iE1 TYR 442 HB3 0.48 0.03 0.07 -0.04 2.98 3.52 2r5iE1 TYR 442 HD2 0.15 0.06 -0.12 -0.04 7.15 7.19 2r5iE1 TYR 442 HE2 0.01 0.04 -0.07 -0.04 6.85 6.79 2r5iE1 ASP 443 H 0.06 0.33 -0.19 -0.55 8.40 8.05 2r5iE1 ASP 443 HA 0.10 0.16 0.46 -0.75 4.63 4.60 2r5iE1 ASP 443 HB2 0.02 0.11 0.11 -0.04 2.71 2.90 2r5iE1 ASP 443 HB3 0.03 0.02 0.08 -0.04 2.70 2.78 2r5iE1 LYS 444 H 0.05 0.01 -0.43 -0.55 8.42 7.49 2r5iE1 LYS 444 HA -0.01 0.15 0.69 -0.75 4.32 4.40 2r5iE1 LYS 444 HB2 0.00 -0.01 -0.01 -0.04 1.87 1.82 2r5iE1 LYS 444 HB3 -0.01 0.00 0.01 -0.04 1.79 1.75 2r5iE1 LYS 444 HG2 0.01 -0.10 -0.11 -0.04 1.46 1.22 2r5iE1 LYS 444 HG3 0.00 0.03 -0.04 -0.04 1.46 1.41 2r5iE1 LYS 444 HD2 -0.01 -0.01 -0.06 -0.04 1.69 1.58 2r5iE1 LYS 444 HD3 -0.01 0.00 -0.03 -0.04 1.68 1.60 2r5iE1 LYS 444 HE2 -0.00 0.10 -0.10 -0.04 2.99 2.95 2r5iE1 LYS 444 HE3 0.00 -0.02 -0.21 -0.04 2.99 2.72 2r5iE1 LEU 445 H -0.02 0.08 -0.15 -0.55 8.37 7.73 2r5iE1 LEU 445 HA -0.19 0.05 0.43 -0.75 4.35 3.89 2r5iE1 LEU 445 HB2 -0.46 0.07 -0.03 -0.04 1.64 1.18 2r5iE1 LEU 445 HB3 -0.48 0.01 -0.03 -0.04 1.64 1.10 2r5iE1 LEU 445 HG 0.05 -0.09 0.04 -0.04 1.64 1.60 2r5iE1 LEU 445 HD13 0.09 -0.00 -0.03 -0.04 0.93 0.95 2r5iE1 LEU 445 HD23 -0.07 0.01 -0.12 -0.04 0.89 0.67 2r5iE1 LYS 446 H -0.30 0.08 0.15 -0.55 8.42 7.79 2r5iE1 LYS 446 HA -0.18 0.13 0.63 -0.75 4.32 4.15 2r5iE1 LYS 446 HB2 -0.14 -0.00 0.10 -0.04 1.87 1.79 2r5iE1 LYS 446 HB3 -0.08 0.03 0.03 -0.04 1.79 1.72 2r5iE1 LYS 446 HG2 -0.11 -0.02 0.07 -0.04 1.46 1.36 2r5iE1 LYS 446 HG3 -0.07 0.01 0.03 -0.04 1.46 1.40 2r5iE1 LYS 446 HD2 -0.05 -0.03 0.01 -0.04 1.69 1.58 2r5iE1 LYS 446 HD3 -0.07 0.02 0.01 -0.04 1.68 1.61 2r5iE1 LYS 446 HE2 -0.06 0.14 -0.04 -0.04 2.99 2.99 2r5iE1 LYS 446 HE3 -0.04 -0.05 -0.00 -0.04 2.99 2.86 2r5iE1 PHE 447 H 0.04 0.31 0.26 -0.55 8.34 8.39 2r5iE1 PHE 447 HA 0.06 0.03 0.78 -0.75 4.62 4.73 2r5iE1 PHE 447 HB2 0.10 0.01 -0.08 -0.04 3.15 3.13 2r5iE1 PHE 447 HB3 0.12 -0.01 -0.05 -0.04 3.06 3.07 2r5iE1 PHE 447 HD2 0.12 -0.02 -0.01 -0.04 7.28 7.33 2r5iE1 PHE 447 HE2 0.03 0.05 -0.08 -0.04 7.38 7.33 2r5iE1 PHE 447 HZ -0.28 -0.05 -0.12 -0.04 7.32 6.84 2r5iE1 TRP 448 H 0.31 0.64 0.35 -0.55 7.97 8.72 2r5iE1 TRP 448 HA 0.03 0.12 0.82 -0.75 4.62 4.85 2r5iE1 TRP 448 HB2 -0.19 -0.01 0.07 -0.04 3.23 3.06 2r5iE1 TRP 448 HB3 -0.23 -0.06 0.13 -0.04 3.23 3.03 2r5iE1 TRP 448 HD1 0.11 0.15 -0.56 -0.04 7.22 6.88 2r5iE1 TRP 448 HE1 0.11 0.01 -0.04 -0.04 10.20 10.24 2r5iE1 TRP 448 HE3 -0.26 -0.03 -0.06 -0.04 7.59 7.20 2r5iE1 TRP 448 HZ2 0.11 -0.06 0.02 -0.04 7.44 7.48 2r5iE1 TRP 448 HZ3 0.01 0.03 -0.14 -0.04 7.13 6.98 2r5iE1 TRP 448 HH2 0.13 -0.00 -0.38 -0.04 7.19 6.90 2r5iE1 ASN 449 H 0.28 0.20 0.18 -0.55 8.53 8.66 2r5iE1 ASN 449 HA 0.19 0.13 0.57 -0.75 4.76 4.90 2r5iE1 ASN 449 HB2 0.16 -0.02 0.17 -0.04 2.88 3.15 2r5iE1 ASN 449 HB3 0.12 0.01 -0.03 -0.04 2.79 2.86 2r5iE1 ASN 449 HD21 0.13 0.04 0.05 -0.04 7.03 7.21 2r5iE1 ASN 449 HD22 0.11 -0.03 0.12 -0.04 7.74 7.89 2r5iE1 VAL 450 H 0.09 0.59 0.22 -0.55 8.24 8.60 2r5iE1 VAL 450 HA 0.14 0.16 0.94 -0.75 4.13 4.62 2r5iE1 VAL 450 HB -0.01 -0.04 0.04 -0.04 2.12 2.06 2r5iE1 VAL 450 HG13 -0.01 0.00 -0.11 -0.04 0.97 0.80 2r5iE1 VAL 450 HG23 -0.02 0.03 -0.20 -0.04 0.95 0.72 2r5iE1 ASP 451 H 0.07 0.22 0.11 -0.55 8.40 8.25 2r5iE1 ASP 451 HA 0.00 0.11 0.87 -0.75 4.63 4.86 2r5iE1 ASP 451 HB2 0.05 0.05 0.05 -0.04 2.71 2.81 2r5iE1 ASP 451 HB3 0.05 0.02 0.17 -0.04 2.70 2.89 2r5iE1 LEU 452 H -0.02 0.63 0.24 -0.55 8.37 8.67 2r5iE1 LEU 452 HA 0.04 0.23 0.87 -0.75 4.35 4.74 2r5iE1 LEU 452 HB2 0.02 0.22 -0.08 -0.04 1.64 1.76 2r5iE1 LEU 452 HB3 0.10 -0.07 0.00 -0.04 1.64 1.63 2r5iE1 LEU 452 HG -0.04 0.01 -0.39 -0.04 1.64 1.18 2r5iE1 LEU 452 HD13 -0.11 -0.01 -0.31 -0.04 0.93 0.46 2r5iE1 LEU 452 HD23 0.01 0.02 -0.42 -0.04 0.89 0.45 2r5iE1 LYS 453 H -0.02 0.10 -0.10 -0.55 8.42 7.84 2r5iE1 LYS 453 HA -0.23 0.09 0.36 -0.75 4.32 3.79 2r5iE1 LYS 453 HB2 -0.01 -0.01 -0.03 -0.04 1.87 1.78 2r5iE1 LYS 453 HB3 -0.06 0.01 0.03 -0.04 1.79 1.72 2r5iE1 LYS 453 HG2 -0.08 0.12 -0.23 -0.04 1.46 1.22 2r5iE1 LYS 453 HG3 -0.05 -0.05 -0.11 -0.04 1.46 1.20 2r5iE1 LYS 453 HD2 -0.00 -0.04 -0.03 -0.04 1.69 1.58 2r5iE1 LYS 453 HD3 -0.00 0.00 -0.03 -0.04 1.68 1.61 2r5iE1 LYS 453 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.93 2r5iE1 LYS 453 HE3 -0.03 0.12 -0.05 -0.04 2.99 3.00 2r5iE1 GLU 454 H 0.04 0.08 -0.38 -0.55 8.60 7.79 2r5iE1 GLU 454 HA 0.10 0.22 0.81 -0.75 4.29 4.66 2r5iE1 GLU 454 HB2 0.06 0.02 0.04 -0.04 2.09 2.17 2r5iE1 GLU 454 HB3 0.07 0.03 0.15 -0.04 1.99 2.20 2r5iE1 GLU 454 HG2 0.04 -0.13 -0.12 -0.04 2.34 2.09 2r5iE1 GLU 454 HG3 0.05 0.02 -0.02 -0.04 2.34 2.34 2r5iE1 LYS 455 H 0.16 0.32 -0.44 -0.55 8.42 7.91 2r5iE1 LYS 455 HA 0.14 0.30 1.11 -0.75 4.32 5.11 2r5iE1 LYS 455 HB2 0.11 0.03 0.01 -0.04 1.87 1.98 2r5iE1 LYS 455 HB3 0.06 -0.04 0.16 -0.04 1.79 1.93 2r5iE1 LYS 455 HG2 0.08 -0.17 -0.68 -0.04 1.46 0.65 2r5iE1 LYS 455 HG3 0.06 -0.02 -0.06 -0.04 1.46 1.39 2r5iE1 LYS 455 HD2 0.06 0.19 0.03 -0.04 1.69 1.93 2r5iE1 LYS 455 HD3 0.08 0.07 -0.02 -0.04 1.68 1.78 2r5iE1 LYS 455 HE2 0.06 -0.00 -0.02 -0.04 2.99 2.98 2r5iE1 LYS 455 HE3 0.05 -0.00 0.01 -0.04 2.99 3.01 2r5iE1 PHE 456 H 0.35 0.08 0.02 -0.55 8.34 8.23 2r5iE1 PHE 456 HA 0.03 0.34 0.70 -0.75 4.62 4.93 2r5iE1 PHE 456 HB2 0.04 -0.01 0.07 -0.04 3.15 3.21 2r5iE1 PHE 456 HB3 0.15 -0.02 -0.07 -0.04 3.06 3.07 2r5iE1 PHE 456 HD2 -0.59 -0.04 -0.10 -0.04 7.28 6.51 2r5iE1 PHE 456 HE2 -1.66 -0.02 -0.13 -0.04 7.38 5.53 2r5iE1 PHE 456 HZ -1.54 -0.02 -0.13 -0.04 7.32 5.59 2r5iE1 SER 457 H 0.27 0.43 0.37 -0.55 8.46 8.98 2r5iE1 SER 457 HA 0.30 0.10 0.84 -0.75 4.49 4.98 2r5iE1 SER 457 HB2 0.20 0.15 -0.36 -0.04 3.95 3.90 2r5iE1 SER 457 HB3 0.12 -0.01 0.01 -0.04 3.93 4.00 2r5iE1 LEU 458 H 0.13 0.16 0.16 -0.55 8.37 8.28 2r5iE1 LEU 458 HA -0.20 0.31 1.08 -0.75 4.35 4.79 2r5iE1 LEU 458 HB2 0.00 -0.01 0.12 -0.04 1.64 1.71 2r5iE1 LEU 458 HB3 -0.07 0.00 0.04 -0.04 1.64 1.57 2r5iE1 LEU 458 HG -0.55 0.01 -0.08 -0.04 1.64 0.98 2r5iE1 LEU 458 HD13 0.02 0.00 0.01 -0.04 0.93 0.92 2r5iE1 LEU 458 HD23 -0.40 0.04 0.09 -0.04 0.89 0.59 2r5iE1 ASP 459 H 0.10 0.10 -0.04 -0.55 8.40 8.01 2r5iE1 ASP 459 HA 0.05 0.17 0.89 -0.75 4.63 4.98 2r5iE1 ASP 459 HB2 0.02 -0.07 0.05 -0.04 2.71 2.67 2r5iE1 ASP 459 HB3 0.03 0.08 0.08 -0.04 2.70 2.84 2r5iE1 LEU 460 H 0.08 0.38 0.02 -0.55 8.37 8.31 2r5iE1 LEU 460 HA 0.15 0.04 0.28 -0.75 4.35 4.07 2r5iE1 LEU 460 HB2 0.12 -0.00 0.04 -0.04 1.64 1.76 2r5iE1 LEU 460 HB3 0.16 0.03 -0.01 -0.04 1.64 1.78 2r5iE1 LEU 460 HG 0.10 0.12 0.05 -0.04 1.64 1.87 2r5iE1 LEU 460 HD13 0.18 0.01 -0.06 -0.04 0.93 1.02 2r5iE1 LEU 460 HD23 0.07 0.02 -0.30 -0.04 0.89 0.63 2r5iE1 ASP 461 H 0.05 0.06 -0.27 -0.55 8.40 7.69 2r5iE1 ASP 461 HA 0.01 0.08 0.23 -0.75 4.63 4.20 2r5iE1 ASP 461 HB2 0.01 0.02 0.04 -0.04 2.71 2.74 2r5iE1 ASP 461 HB3 -0.00 -0.05 -0.06 -0.04 2.70 2.55 2r5iE1 GLN 462 H -0.05 0.29 -0.55 -0.55 8.47 7.62 2r5iE1 GLN 462 HA -0.19 0.11 0.60 -0.75 4.36 4.12 2r5iE1 GLN 462 HB2 -0.53 0.08 -0.01 -0.04 2.15 1.65 2r5iE1 GLN 462 HB3 -0.48 -0.02 0.10 -0.04 2.02 1.58 2r5iE1 GLN 462 HG2 -0.08 -0.11 -0.05 -0.04 2.40 2.12 2r5iE1 GLN 462 HG3 -0.11 -0.03 0.01 -0.04 2.39 2.23 2r5iE1 GLN 462 HE21 -0.10 -0.01 -0.00 -0.04 6.97 6.82 2r5iE1 GLN 462 HE22 -0.17 0.01 0.03 -0.04 7.69 7.52 2r5iE1 TYR 463 H -0.04 0.61 -0.24 -0.55 8.29 8.06 2r5iE1 TYR 463 HA -0.14 0.24 0.85 -0.75 4.56 4.76 2r5iE1 TYR 463 HB2 -0.53 -0.05 0.03 -0.04 3.06 2.47 2r5iE1 TYR 463 HB3 -0.53 -0.05 -0.02 -0.04 2.98 2.34 2r5iE1 TYR 463 HD2 -0.26 0.03 -0.05 -0.04 7.15 6.83 2r5iE1 TYR 463 HE2 -0.05 -0.02 -0.08 -0.04 6.85 6.66 2r5iE1 PRO 464 HA 0.03 0.09 0.37 -0.51 4.44 4.42 2r5iE1 PRO 464 HB2 0.02 0.06 0.01 -0.04 2.28 2.33 2r5iE1 PRO 464 HB3 0.01 0.09 0.09 -0.04 2.02 2.17 2r5iE1 PRO 464 HG2 0.10 -0.16 0.09 -0.04 2.03 2.02 2r5iE1 PRO 464 HG3 0.04 0.13 0.06 -0.04 2.03 2.23 2r5iE1 PRO 464 HD2 0.14 0.13 0.22 -0.04 3.68 4.13 2r5iE1 PRO 464 HD3 0.02 0.20 0.16 -0.04 3.65 3.99 2r5iE1 LEU 465 H 0.10 0.18 -0.08 -0.55 8.37 8.03 2r5iE1 LEU 465 HA 0.07 0.07 0.24 -0.75 4.35 3.99 2r5iE1 LEU 465 HB2 0.01 0.00 -0.01 -0.04 1.64 1.61 2r5iE1 LEU 465 HB3 0.12 0.05 -0.17 -0.04 1.64 1.60 2r5iE1 LEU 465 HG -0.21 0.02 -0.20 -0.04 1.64 1.21 2r5iE1 LEU 465 HD13 -0.30 -0.01 -0.62 -0.04 0.93 -0.04 2r5iE1 LEU 465 HD23 -0.10 0.00 -0.14 -0.04 0.89 0.61 2r5iE1 GLY 466 H 0.20 0.03 -0.61 -0.55 8.43 7.51 2r5iE1 GLY 466 HA2 0.21 -0.01 0.19 -0.51 4.01 3.90 2r5iE1 GLY 466 HA3 0.16 0.19 0.26 -0.51 4.01 4.11 2r5iE1 ARG 467 H 0.10 0.60 -0.04 -0.55 8.46 8.56 2r5iE1 ARG 467 HA 0.05 -0.02 0.32 -0.75 4.34 3.93 2r5iE1 ARG 467 HB2 0.04 0.02 0.10 -0.04 1.90 2.01 2r5iE1 ARG 467 HB3 0.02 -0.06 -0.00 -0.04 1.80 1.72 2r5iE1 ARG 467 HG2 0.00 -0.01 0.02 -0.04 1.67 1.64 2r5iE1 ARG 467 HG3 0.02 0.29 -0.07 -0.04 1.67 1.87 2r5iE1 ARG 467 HD2 0.00 -0.06 -0.06 -0.04 3.22 3.06 2r5iE1 ARG 467 HD3 -0.01 -0.05 -0.03 -0.04 3.22 3.09 2r5iE1 LYS 468 H 0.13 0.59 -0.03 -0.55 8.42 8.56 2r5iE1 LYS 468 HA 0.11 -0.02 0.48 -0.75 4.32 4.14 2r5iE1 LYS 468 HB2 0.29 0.10 0.10 -0.04 1.87 2.32 2r5iE1 LYS 468 HB3 0.41 -0.03 0.01 -0.04 1.79 2.14 2r5iE1 LYS 468 HG2 0.09 -0.02 0.03 -0.04 1.46 1.52 2r5iE1 LYS 468 HG3 0.08 0.04 0.01 -0.04 1.46 1.55 2r5iE1 LYS 468 HD2 0.02 -0.06 -0.15 -0.04 1.69 1.46 2r5iE1 LYS 468 HD3 0.02 0.03 -0.02 -0.04 1.68 1.66 2r5iE1 LYS 468 HE2 0.00 0.01 -0.03 -0.04 2.99 2.93 2r5iE1 LYS 468 HE3 0.01 -0.03 -0.09 -0.04 2.99 2.84 2r5iE1 PHE 469 H 0.38 0.57 -0.33 -0.55 8.34 8.40 2r5iE1 PHE 469 HA -0.85 0.02 0.30 -0.75 4.62 3.33 2r5iE1 PHE 469 HB2 0.25 -0.03 -0.06 -0.04 3.15 3.27 2r5iE1 PHE 469 HB3 0.00 0.14 0.00 -0.04 3.06 3.17 2r5iE1 PHE 469 HD2 -0.39 0.01 -0.14 -0.04 7.28 6.71 2r5iE1 PHE 469 HE2 -0.48 0.02 -0.07 -0.04 7.38 6.81 2r5iE1 PHE 469 HZ -1.80 0.02 -0.08 -0.04 7.32 5.42 2r5iE1 LEU 470 H -0.01 0.43 -0.45 -0.55 8.37 7.80 2r5iE1 LEU 470 HA -0.37 0.08 0.54 -0.75 4.35 3.84 2r5iE1 LEU 470 HB2 -0.02 0.20 0.18 -0.04 1.64 1.96 2r5iE1 LEU 470 HB3 -0.08 -0.11 -0.05 -0.04 1.64 1.36 2r5iE1 LEU 470 HG 0.14 0.17 -0.04 -0.04 1.64 1.86 2r5iE1 LEU 470 HD13 0.03 -0.06 -0.08 -0.04 0.93 0.78 2r5iE1 LEU 470 HD23 -0.01 -0.02 0.01 -0.04 0.89 0.83 2r5iE1 VAL 471 H -0.11 0.50 -0.08 -0.55 8.24 7.99 2r5iE1 VAL 471 HA -0.13 0.10 0.41 -0.75 4.13 3.75 2r5iE1 VAL 471 HB -0.07 0.10 0.18 -0.04 2.12 2.28 2r5iE1 VAL 471 HG13 -0.07 0.00 -0.18 -0.04 0.97 0.68 2r5iE1 VAL 471 HG23 -0.03 0.04 -0.00 -0.04 0.95 0.91 2r5iE1 GLN 472 H -0.28 0.47 0.00 -0.55 8.47 8.11 2r5iE1 GLN 472 HA -0.26 0.00 0.34 -0.75 4.36 3.69 2r5iE1 GLN 472 HB2 -0.45 -0.01 0.09 -0.04 2.15 1.74 2r5iE1 GLN 472 HB3 -1.05 0.05 0.03 -0.04 2.02 1.02 2r5iE1 GLN 472 HG2 -0.39 -0.01 0.07 -0.04 2.40 2.04 2r5iE1 GLN 472 HG3 -0.65 -0.05 0.00 -0.04 2.39 1.65 2r5iE1 GLN 472 HE21 -0.30 0.01 -0.07 -0.04 6.97 6.57 2r5iE1 GLN 472 HE22 -0.38 -0.05 -0.04 -0.04 7.69 7.18 2r5iE1 ALA 473 H -0.58 0.17 -0.93 -0.55 8.40 6.51 2r5iE1 ALA 473 HA -0.40 0.04 0.47 -0.75 4.34 3.70 2r5iE1 ALA 473 HB3 -0.63 0.03 0.09 -0.04 1.41 0.85 2r5iE1 GLY 474 H -0.22 0.56 -0.20 -0.55 8.43 8.02 2r5iE1 GLY 474 HA2 -0.12 0.00 0.30 -0.51 4.01 3.68 2r5iE1 GLY 474 HA3 -0.12 0.13 0.97 -0.51 4.01 4.48 2r5iE1 LEU 475 H -0.14 0.13 -0.21 -0.55 8.37 7.61 2r5iE1 LEU 475 HA -0.06 0.10 0.16 -0.75 4.35 3.79 2r5iE1 LEU 475 HB2 -0.05 -0.03 0.05 -0.04 1.64 1.58 2r5iE1 LEU 475 HB3 -0.05 -0.01 0.02 -0.04 1.64 1.56 2r5iE1 LEU 475 HG -0.09 0.04 0.05 -0.04 1.64 1.59 2r5iE1 LEU 475 HD13 -0.02 -0.01 0.02 -0.04 0.93 0.88 2r5iE1 LEU 475 HD23 -0.12 -0.00 -0.06 -0.04 0.89 0.67