============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 13 1.000 15.666 -35.357 44.008 -99.200 -91.000 TYR 23 0.840 5.244 -30.223 52.162 -99.200 -91.000 PHE 25 1.000 9.395 -30.603 42.378 -99.200 -91.000 PHE 28 1.000 7.311 -25.050 43.770 -99.200 -91.000 HIS 29 0.900 2.504 -30.281 39.590 -99.200 -91.000 PHE 35 1.000 -2.698 -17.822 42.427 -99.200 -91.000 PHE 37 1.000 -0.517 -18.995 36.035 -99.200 -91.000 TYR 40 0.840 5.951 -24.347 30.184 -99.200 -91.000 TYR 51 0.840 19.260 -22.832 26.495 -99.200 -91.000 PHE 64 1.000 26.340 -29.827 33.164 -99.200 -91.000 PHE 66 1.000 25.115 -33.511 24.810 -99.200 -91.000 HIS 69 0.900 21.423 -30.055 15.699 -99.200 -91.000 TRP 98 1.040 1.077 -22.054 28.169 -99.200 -91.000 TRP6 98 1.020 2.385 -22.972 26.440 -99.200 -91.000 TYR 99 0.840 1.953 -25.770 36.528 -99.200 -91.000 TRP 105 1.040 20.442 -30.951 34.156 -99.200 -91.000 TRP6 105 1.020 21.703 -32.395 35.508 -99.200 -91.000 TYR 107 0.840 31.307 -28.014 33.876 -99.200 -91.000 HIS 118 0.900 18.212 -24.430 39.241 -99.200 -91.000 TYR 119 0.840 13.988 -31.814 39.650 -99.200 -91.000 TRP 121 1.040 5.577 -23.079 40.229 -99.200 -91.000 TRP6 121 1.020 4.637 -21.722 41.895 -99.200 -91.000 PHE 173 1.000 23.028 2.458 34.405 -99.200 -91.000 HIS 221 0.900 7.351 8.452 33.802 -99.200 -91.000 PHE 230 1.000 2.513 -5.597 42.377 -99.200 -91.000 TYR 237 0.840 -5.316 -12.941 45.424 -99.200 -91.000 PHE 239 1.000 -1.001 -13.548 49.391 -99.200 -91.000 TRP 242 1.040 2.170 -12.053 52.608 -99.200 -91.000 TRP6 242 1.020 3.172 -14.202 52.516 -99.200 -91.000 PHE 245 1.000 10.239 1.250 45.101 -99.200 -91.000 TYR 255 0.840 15.333 -12.253 30.974 -99.200 -91.000 TYR 256 0.840 13.160 -9.734 34.898 -99.200 -91.000 PHE 261 1.000 7.465 -10.939 40.204 -99.200 -91.000 PHE 264 1.000 12.442 -9.460 51.411 -99.200 -91.000 PHE 270 1.000 18.248 -19.201 54.631 -99.200 -91.000 TYR 279 0.840 9.987 -12.715 31.020 -99.200 -91.000 TYR 286 0.840 14.818 -16.418 23.039 -99.200 -91.000 PHE 297 1.000 6.326 -17.038 40.094 -99.200 -91.000 PHE 299 1.000 8.920 -20.060 45.212 -99.200 -91.000 HIS 318 0.900 6.915 -40.765 59.125 -99.200 -91.000 HIS 319 0.900 5.290 -46.695 51.552 -99.200 -91.000 PHE 328 1.000 -2.594 -69.591 60.708 -99.200 -91.000 HIS 335 0.900 -7.968 -69.490 49.822 -99.200 -91.000 PHE 354 1.000 5.699 -58.869 47.850 -99.200 -91.000 PHE 363 1.000 -0.561 -59.540 63.323 -99.200 -91.000 TYR 365 0.840 6.695 -55.970 55.192 -99.200 -91.000 TRP 382 1.040 -10.988 -68.739 52.399 -99.200 -91.000 TRP6 382 1.020 -10.796 -66.635 51.338 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hriC1 MET 47 HA -0.00 -0.10 0.20 -0.75 4.52 3.86 3hriC1 MET 47 HB2 -0.00 -0.04 0.05 -0.04 2.15 2.12 3hriC1 MET 47 HB3 0.00 -0.00 -0.03 -0.04 2.03 1.96 3hriC1 MET 47 HG2 0.00 0.11 -0.00 -0.04 2.63 2.69 3hriC1 MET 47 HG3 -0.00 -0.05 0.05 -0.04 2.56 2.52 3hriC1 MET 47 HE3 -0.00 -0.01 0.01 -0.04 2.10 2.06 3hriC1 VAL 48 H 0.00 0.03 0.05 -0.55 8.24 7.78 3hriC1 VAL 48 HA 0.00 0.10 0.42 -0.75 4.13 3.89 3hriC1 VAL 48 HB 0.00 0.01 0.05 -0.04 2.12 2.15 3hriC1 VAL 48 HG13 -0.00 -0.00 0.01 -0.04 0.97 0.94 3hriC1 VAL 48 HG23 0.00 0.00 -0.17 -0.04 0.95 0.74 3hriC1 GLU 49 H 0.01 0.09 0.12 -0.55 8.60 8.27 3hriC1 GLU 49 HA 0.01 0.00 0.49 -0.75 4.29 4.03 3hriC1 THR 50 H 0.01 0.12 0.25 -0.55 8.28 8.11 3hriC1 THR 50 HA 0.01 0.10 0.46 -0.75 4.39 4.20 3hriC1 THR 50 HB 0.00 -0.03 0.06 -0.04 4.32 4.31 3hriC1 THR 50 HG23 0.00 0.06 0.02 -0.04 1.22 1.26 3hriC1 GLU 51 H 0.01 -0.05 -0.11 -0.55 8.60 7.90 3hriC1 GLU 51 HA 0.01 0.11 0.64 -0.75 4.29 4.29 3hriC1 GLU 51 HB2 0.01 -0.08 0.04 -0.04 2.09 2.02 3hriC1 GLU 51 HB3 0.01 0.14 0.02 -0.04 1.99 2.13 3hriC1 GLU 51 HG2 0.00 0.03 0.05 -0.04 2.34 2.38 3hriC1 GLU 51 HG3 0.00 -0.08 0.01 -0.04 2.34 2.24 3hriC1 PRO 52 HA 0.04 0.11 0.51 -0.51 4.44 4.58 3hriC1 PRO 52 HB2 0.06 0.09 -0.16 -0.04 2.28 2.23 3hriC1 PRO 52 HB3 0.04 -0.02 -0.03 -0.04 2.02 1.96 3hriC1 PRO 52 HG2 0.02 0.18 0.02 -0.04 2.03 2.21 3hriC1 PRO 52 HG3 -0.01 -0.14 0.06 -0.04 2.03 1.91 3hriC1 PRO 52 HD2 0.01 0.04 0.20 -0.04 3.68 3.88 3hriC1 PRO 52 HD3 0.00 0.13 0.20 -0.04 3.65 3.95 3hriC1 VAL 53 H 0.06 0.07 0.06 -0.55 8.24 7.89 3hriC1 VAL 53 HA 0.06 -0.01 0.35 -0.75 4.13 3.78 3hriC1 VAL 53 HB 0.12 -0.02 0.05 -0.04 2.12 2.22 3hriC1 VAL 53 HG13 0.13 0.05 -0.16 -0.04 0.97 0.95 3hriC1 VAL 53 HG23 0.03 -0.00 0.05 -0.04 0.95 0.98 3hriC1 GLN 54 H 0.08 0.03 0.15 -0.55 8.47 8.19 3hriC1 GLN 54 HA 0.06 0.01 0.32 -0.75 4.36 4.00 3hriC1 GLN 54 HB2 0.07 -0.01 0.16 -0.04 2.15 2.33 3hriC1 GLN 54 HB3 0.11 0.02 0.06 -0.04 2.02 2.17 3hriC1 GLN 54 HG2 0.05 -0.02 -0.00 -0.04 2.40 2.39 3hriC1 GLN 54 HG3 0.05 0.01 -0.01 -0.04 2.39 2.40 3hriC1 GLN 54 HE21 0.02 0.01 0.03 -0.04 6.97 6.99 3hriC1 GLN 54 HE22 0.03 -0.03 0.03 -0.04 7.69 7.68 3hriC1 GLY 55 H 0.05 0.07 0.15 -0.55 8.43 8.16 3hriC1 GLY 55 HA2 0.04 -0.03 0.32 -0.51 4.01 3.83 3hriC1 GLY 55 HA3 0.09 0.03 0.30 -0.51 4.01 3.93 3hriC1 CYS 56 H 0.06 0.30 -0.18 -0.55 8.50 8.14 3hriC1 CYS 56 HA -0.02 0.19 0.98 -0.75 4.58 4.98 3hriC1 CYS 56 HB2 0.13 -0.03 -0.10 -0.04 2.97 2.93 3hriC1 CYS 56 HB3 0.14 -0.09 0.02 -0.04 2.97 3.00 3hriC1 ARG 57 H 0.00 0.16 0.12 -0.55 8.46 8.19 3hriC1 ARG 57 HA -0.13 0.15 0.79 -0.75 4.34 4.40 3hriC1 ARG 57 HB2 -0.25 -0.05 0.07 -0.04 1.90 1.63 3hriC1 ARG 57 HB3 -0.59 0.10 -0.07 -0.04 1.80 1.19 3hriC1 ARG 57 HG2 -0.12 0.03 -0.10 -0.04 1.67 1.44 3hriC1 ARG 57 HG3 -0.05 0.02 -0.14 -0.04 1.67 1.45 3hriC1 ARG 57 HD2 -0.13 -0.00 -0.02 -0.04 3.22 3.03 3hriC1 ARG 57 HD3 -0.01 -0.00 -0.01 -0.04 3.22 3.16 3hriC1 ASP 58 H -0.12 0.17 0.19 -0.55 8.40 8.09 3hriC1 ASP 58 HA 0.02 0.10 0.80 -0.75 4.63 4.80 3hriC1 ASP 58 HB2 -0.06 -0.01 0.16 -0.04 2.71 2.76 3hriC1 ASP 58 HB3 -0.02 -0.02 -0.02 -0.04 2.70 2.60 3hriC1 PHE 59 H 0.22 0.18 0.03 -0.55 8.34 8.21 3hriC1 PHE 59 HA -0.01 0.19 0.85 -0.75 4.62 4.89 3hriC1 PHE 59 HB2 -0.01 0.01 0.17 -0.04 3.15 3.29 3hriC1 PHE 59 HB3 -0.05 -0.07 0.07 -0.04 3.06 2.96 3hriC1 PHE 59 HD2 -0.00 -0.00 -0.12 -0.04 7.28 7.11 3hriC1 PHE 59 HE2 0.09 0.01 -0.03 -0.04 7.38 7.41 3hriC1 PHE 59 HZ 0.22 -0.04 -0.04 -0.04 7.32 7.42 3hriC1 PRO 60 HA 0.03 0.21 0.73 -0.51 4.44 4.90 3hriC1 PRO 60 HB2 0.00 -0.03 0.06 -0.04 2.28 2.28 3hriC1 PRO 60 HB3 0.01 0.10 0.13 -0.04 2.02 2.21 3hriC1 PRO 60 HG2 -0.01 -0.07 0.05 -0.04 2.03 1.95 3hriC1 PRO 60 HG3 -0.02 0.11 0.04 -0.04 2.03 2.12 3hriC1 PRO 60 HD2 -0.06 0.29 -0.07 -0.04 3.68 3.79 3hriC1 PRO 60 HD3 -0.02 0.09 -0.24 -0.04 3.65 3.44 3hriC1 PRO 61 HA -0.01 0.06 0.29 -0.51 4.44 4.27 3hriC1 PRO 61 HB2 -0.02 0.02 0.06 -0.04 2.28 2.30 3hriC1 PRO 61 HB3 -0.05 0.08 0.07 -0.04 2.02 2.08 3hriC1 PRO 61 HG2 -0.03 0.08 0.10 -0.04 2.03 2.14 3hriC1 PRO 61 HG3 -0.04 0.08 0.11 -0.04 2.03 2.15 3hriC1 PRO 61 HD2 -0.00 0.11 0.21 -0.04 3.68 3.96 3hriC1 PRO 61 HD3 0.00 0.17 0.26 -0.04 3.65 4.05 3hriC1 GLU 62 H 0.00 0.11 -0.23 -0.55 8.60 7.94 3hriC1 GLU 62 HA -0.01 0.12 0.50 -0.75 4.29 4.15 3hriC1 GLU 62 HB2 -0.01 0.05 -0.03 -0.04 2.09 2.06 3hriC1 GLU 62 HB3 0.00 0.06 0.09 -0.04 1.99 2.10 3hriC1 GLU 62 HG2 0.00 -0.01 0.02 -0.04 2.34 2.32 3hriC1 GLU 62 HG3 -0.00 -0.11 -0.02 -0.04 2.34 2.17 3hriC1 THR 63 H 0.01 0.27 -0.16 -0.55 8.28 7.85 3hriC1 THR 63 HA 0.01 0.10 0.49 -0.75 4.39 4.24 3hriC1 THR 63 HB 0.03 0.02 0.16 -0.04 4.32 4.49 3hriC1 THR 63 HG23 -0.01 0.02 -0.06 -0.04 1.22 1.13 3hriC1 MET 64 H 0.07 0.70 -0.12 -0.55 8.47 8.58 3hriC1 MET 64 HA 0.05 0.01 0.33 -0.75 4.52 4.14 3hriC1 MET 64 HB2 0.08 0.20 -0.07 -0.04 2.15 2.32 3hriC1 MET 64 HB3 0.00 0.01 -0.10 -0.04 2.03 1.90 3hriC1 MET 64 HG2 -0.05 0.03 -0.04 -0.04 2.63 2.54 3hriC1 MET 64 HG3 -0.09 -0.02 -0.17 -0.04 2.56 2.25 3hriC1 MET 64 HE3 -0.17 0.01 -0.01 -0.04 2.10 1.88 3hriC1 ARG 65 H -0.01 0.39 -0.49 -0.55 8.46 7.80 3hriC1 ARG 65 HA -0.03 0.03 0.33 -0.75 4.34 3.92 3hriC1 ARG 65 HB2 -0.01 0.38 0.11 -0.04 1.90 2.33 3hriC1 ARG 65 HB3 -0.04 0.07 -0.06 -0.04 1.80 1.73 3hriC1 ARG 65 HG2 -0.02 -0.03 -0.12 -0.04 1.67 1.45 3hriC1 ARG 65 HG3 -0.00 -0.03 -0.00 -0.04 1.67 1.60 3hriC1 ARG 65 HD2 0.04 0.01 -0.29 -0.04 3.22 2.94 3hriC1 ARG 65 HD3 0.02 -0.02 -0.09 -0.04 3.22 3.10 3hriC1 LEU 66 H -0.02 0.32 -0.27 -0.55 8.37 7.85 3hriC1 LEU 66 HA -0.02 0.10 0.63 -0.75 4.35 4.30 3hriC1 LEU 66 HB2 -0.05 0.06 0.15 -0.04 1.64 1.75 3hriC1 LEU 66 HB3 -0.01 0.17 0.21 -0.04 1.64 1.97 3hriC1 LEU 66 HG 0.02 -0.03 -0.16 -0.04 1.64 1.43 3hriC1 LEU 66 HD13 0.02 -0.02 0.09 -0.04 0.93 0.98 3hriC1 LEU 66 HD23 -0.02 -0.00 0.02 -0.04 0.89 0.85 3hriC1 ARG 67 H -0.07 0.42 -0.09 -0.55 8.46 8.16 3hriC1 ARG 67 HA -0.26 0.03 0.52 -0.75 4.34 3.87 3hriC1 ARG 67 HB2 -0.16 -0.00 0.10 -0.04 1.90 1.79 3hriC1 ARG 67 HB3 -0.33 0.11 0.19 -0.04 1.80 1.72 3hriC1 ARG 67 HG2 -1.30 0.02 -0.28 -0.04 1.67 0.07 3hriC1 ARG 67 HG3 -1.52 -0.06 0.04 -0.04 1.67 0.08 3hriC1 ARG 67 HD2 -1.27 -0.04 -0.01 -0.04 3.22 1.87 3hriC1 ARG 67 HD3 -1.32 0.01 -0.00 -0.04 3.22 1.86 3hriC1 LYS 68 H -0.19 0.58 -0.16 -0.55 8.42 8.09 3hriC1 LYS 68 HA -0.21 -0.00 0.47 -0.75 4.32 3.82 3hriC1 LYS 68 HB2 -0.13 0.16 0.12 -0.04 1.87 1.98 3hriC1 LYS 68 HB3 -0.05 0.11 0.02 -0.04 1.79 1.82 3hriC1 LYS 68 HG2 -0.02 0.01 -0.00 -0.04 1.46 1.41 3hriC1 LYS 68 HG3 -0.05 -0.06 0.06 -0.04 1.46 1.37 3hriC1 LYS 68 HD2 -0.03 -0.01 -0.01 -0.04 1.69 1.59 3hriC1 LYS 68 HD3 -0.09 -0.01 -0.02 -0.04 1.68 1.52 3hriC1 LYS 68 HE2 -0.04 0.01 -0.07 -0.04 2.99 2.85 3hriC1 LYS 68 HE3 -0.02 0.02 -0.03 -0.04 2.99 2.93 3hriC1 TYR 69 H 0.02 0.23 -0.49 -0.55 8.29 7.50 3hriC1 TYR 69 HA -0.09 0.06 0.51 -0.75 4.56 4.28 3hriC1 TYR 69 HB2 -0.08 0.03 0.14 -0.04 3.06 3.12 3hriC1 TYR 69 HB3 -0.10 0.11 0.25 -0.04 2.98 3.20 3hriC1 TYR 69 HD2 -0.08 -0.01 -0.01 -0.04 7.15 7.01 3hriC1 TYR 69 HE2 -0.06 -0.00 0.01 -0.04 6.85 6.76 3hriC1 LEU 70 H -0.07 0.43 -0.11 -0.55 8.37 8.08 3hriC1 LEU 70 HA -0.47 0.08 0.48 -0.75 4.35 3.69 3hriC1 LEU 70 HB2 -0.03 0.05 0.15 -0.04 1.64 1.76 3hriC1 LEU 70 HB3 -0.03 0.09 0.22 -0.04 1.64 1.87 3hriC1 LEU 70 HG -0.71 -0.04 -0.18 -0.04 1.64 0.68 3hriC1 LEU 70 HD13 -0.16 -0.00 -0.02 -0.04 0.93 0.71 3hriC1 LEU 70 HD23 0.36 -0.00 0.03 -0.04 0.89 1.24 3hriC1 PHE 71 H -0.02 0.64 -0.04 -0.55 8.34 8.37 3hriC1 PHE 71 HA -0.28 -0.02 0.27 -0.75 4.62 3.83 3hriC1 PHE 71 HB2 -0.11 0.09 0.12 -0.04 3.15 3.20 3hriC1 PHE 71 HB3 -0.12 -0.05 0.01 -0.04 3.06 2.87 3hriC1 PHE 71 HD2 -0.13 -0.08 -0.03 -0.04 7.28 7.00 3hriC1 PHE 71 HE2 -0.24 -0.02 -0.01 -0.04 7.38 7.06 3hriC1 PHE 71 HZ -0.45 -0.08 -0.01 -0.04 7.32 6.74 3hriC1 ASP 72 H -0.09 0.50 -0.35 -0.55 8.40 7.92 3hriC1 ASP 72 HA 0.07 -0.01 0.61 -0.75 4.63 4.55 3hriC1 ASP 72 HB2 -0.15 0.16 0.14 -0.04 2.71 2.82 3hriC1 ASP 72 HB3 -0.07 -0.06 0.02 -0.04 2.70 2.55 3hriC1 VAL 73 H -0.44 0.46 -0.22 -0.55 8.24 7.49 3hriC1 VAL 73 HA -0.30 0.02 0.48 -0.75 4.13 3.57 3hriC1 VAL 73 HB -0.68 0.20 0.21 -0.04 2.12 1.81 3hriC1 VAL 73 HG13 -0.39 -0.01 -0.06 -0.04 0.97 0.47 3hriC1 VAL 73 HG23 -0.46 0.03 0.01 -0.04 0.95 0.49 3hriC1 PHE 74 H -0.70 0.31 -0.23 -0.55 8.34 7.16 3hriC1 PHE 74 HA -1.70 0.02 0.38 -0.75 4.62 2.56 3hriC1 PHE 74 HB2 -0.86 0.10 0.14 -0.04 3.15 2.49 3hriC1 PHE 74 HB3 -1.85 -0.03 -0.05 -0.04 3.06 1.10 3hriC1 PHE 74 HD2 -1.39 -0.02 -0.07 -0.04 7.28 5.75 3hriC1 PHE 74 HE2 -0.45 -0.05 -0.10 -0.04 7.38 6.75 3hriC1 PHE 74 HZ 0.19 0.04 -0.07 -0.04 7.32 7.45 3hriC1 HIS 75 H -0.30 0.76 0.03 -0.55 8.41 8.36 3hriC1 HIS 75 HA -0.12 -0.01 0.38 -0.75 4.63 4.12 3hriC1 HIS 75 HB2 -0.05 0.08 0.21 -0.04 3.26 3.46 3hriC1 HIS 75 HB3 0.02 -0.03 0.01 -0.04 3.20 3.15 3hriC1 HIS 75 HD2 0.04 -0.02 -0.16 -0.04 6.97 6.79 3hriC1 HIS 75 HE1 0.05 -0.04 -0.03 -0.04 7.75 7.69 3hriC1 SER 76 H -0.09 0.73 -0.21 -0.55 8.46 8.34 3hriC1 SER 76 HA 0.01 -0.02 0.23 -0.75 4.49 3.96 3hriC1 SER 76 HB2 -0.05 0.09 0.11 -0.04 3.95 4.06 3hriC1 SER 76 HB3 -0.09 0.05 0.09 -0.04 3.93 3.94 3hriC1 THR 77 H -0.18 0.59 -0.13 -0.55 8.28 8.01 3hriC1 THR 77 HA 0.09 0.01 0.49 -0.75 4.39 4.23 3hriC1 THR 77 HB -0.20 0.08 0.10 -0.04 4.32 4.26 3hriC1 THR 77 HG23 -0.17 -0.00 -0.05 -0.04 1.22 0.95 3hriC1 ALA 78 H -0.16 0.58 -0.23 -0.55 8.40 8.05 3hriC1 ALA 78 HA -0.02 -0.04 0.25 -0.75 4.34 3.78 3hriC1 ALA 78 HB3 -0.63 0.01 -0.01 -0.04 1.41 0.74 3hriC1 ARG 79 H 0.02 0.54 -0.17 -0.55 8.46 8.30 3hriC1 ARG 79 HA 0.14 0.11 0.46 -0.75 4.34 4.29 3hriC1 ARG 79 HB2 0.08 0.07 0.09 -0.04 1.90 2.10 3hriC1 ARG 79 HB3 0.07 0.03 0.13 -0.04 1.80 2.00 3hriC1 ARG 79 HG2 0.08 -0.01 -0.03 -0.04 1.67 1.67 3hriC1 ARG 79 HG3 0.09 -0.02 0.03 -0.04 1.67 1.73 3hriC1 ARG 79 HD2 0.04 -0.04 -0.02 -0.04 3.22 3.17 3hriC1 ARG 79 HD3 0.04 -0.01 -0.02 -0.04 3.22 3.20 3hriC1 LYS 80 H 0.14 0.61 -0.01 -0.55 8.42 8.60 3hriC1 LYS 80 HA 0.11 -0.02 0.36 -0.75 4.32 4.01 3hriC1 PHE 81 H 0.50 0.60 -0.31 -0.55 8.34 8.58 3hriC1 PHE 81 HA 0.18 0.04 0.52 -0.75 4.62 4.60 3hriC1 PHE 81 HB2 0.20 0.10 0.03 -0.04 3.15 3.44 3hriC1 PHE 81 HB3 0.49 -0.10 0.06 -0.04 3.06 3.47 3hriC1 PHE 81 HD2 0.15 0.05 -0.02 -0.04 7.28 7.42 3hriC1 PHE 81 HE2 0.02 -0.01 -0.05 -0.04 7.38 7.31 3hriC1 PHE 81 HZ 0.09 -0.01 -0.33 -0.04 7.32 7.04 3hriC1 GLY 82 H 0.24 0.66 -0.60 -0.55 8.43 8.19 3hriC1 GLY 82 HA2 0.15 0.03 0.33 -0.51 4.01 4.01 3hriC1 GLY 82 HA3 0.11 -0.09 0.27 -0.51 4.01 3.78 3hriC1 PHE 83 H 0.52 0.70 -0.14 -0.55 8.34 8.87 3hriC1 PHE 83 HA 0.21 0.19 0.92 -0.75 4.62 5.19 3hriC1 PHE 83 HB2 0.10 -0.04 -0.04 -0.04 3.15 3.13 3hriC1 PHE 83 HB3 0.36 -0.04 -0.26 -0.04 3.06 3.07 3hriC1 PHE 83 HD2 0.24 0.09 -0.45 -0.04 7.28 7.12 3hriC1 PHE 83 HE2 0.18 -0.04 -0.24 -0.04 7.38 7.24 3hriC1 PHE 83 HZ 0.10 -0.13 -0.18 -0.04 7.32 7.07 3hriC1 GLU 84 H 0.33 0.77 0.42 -0.55 8.60 9.58 3hriC1 GLU 84 HA 0.23 0.12 0.86 -0.75 4.29 4.74 3hriC1 GLU 84 HB2 -0.06 -0.05 0.12 -0.04 2.09 2.06 3hriC1 GLU 84 HB3 -0.09 0.04 0.01 -0.04 1.99 1.90 3hriC1 GLU 84 HG2 0.06 0.00 -0.02 -0.04 2.34 2.34 3hriC1 GLU 84 HG3 0.11 0.07 -0.03 -0.04 2.34 2.45 3hriC1 GLU 85 H 0.06 0.10 0.17 -0.55 8.60 8.39 3hriC1 GLU 85 HA -0.76 0.30 0.62 -0.75 4.29 3.70 3hriC1 GLU 85 HB2 -0.12 -0.01 0.11 -0.04 2.09 2.02 3hriC1 GLU 85 HB3 -0.16 -0.05 0.06 -0.04 1.99 1.80 3hriC1 GLU 85 HG2 -0.39 0.08 0.08 -0.04 2.34 2.07 3hriC1 GLU 85 HG3 -1.07 0.01 0.04 -0.04 2.34 1.28 3hriC1 TYR 86 H -0.42 0.60 0.44 -0.55 8.29 8.36 3hriC1 TYR 86 HA -0.30 0.14 0.63 -0.75 4.56 4.28 3hriC1 TYR 86 HB2 -0.32 0.02 0.11 -0.04 3.06 2.84 3hriC1 TYR 86 HB3 -0.76 0.06 -0.06 -0.04 2.98 2.18 3hriC1 TYR 86 HD2 0.03 0.06 -0.16 -0.04 7.15 7.03 3hriC1 TYR 86 HE2 0.17 -0.02 -0.39 -0.04 6.85 6.57 3hriC1 ASP 87 H -0.01 0.26 0.17 -0.55 8.40 8.27 3hriC1 ASP 87 HA -0.14 0.09 0.31 -0.75 4.63 4.13 3hriC1 ASP 87 HB2 -0.10 0.05 -0.06 -0.04 2.71 2.55 3hriC1 ASP 87 HB3 -0.03 0.00 -0.00 -0.04 2.70 2.63 3hriC1 SER 88 H 0.03 0.36 0.18 -0.55 8.46 8.48 3hriC1 SER 88 HA 0.06 0.09 0.43 -0.75 4.49 4.31 3hriC1 SER 88 HB2 0.09 0.08 0.01 -0.04 3.95 4.09 3hriC1 SER 88 HB3 0.11 0.08 0.11 -0.04 3.93 4.20 3hriC1 PRO 89 HA 0.04 -0.00 0.30 -0.51 4.44 4.28 3hriC1 PRO 89 HB2 0.05 0.35 0.07 -0.04 2.28 2.71 3hriC1 PRO 89 HB3 0.04 -0.05 0.17 -0.04 2.02 2.13 3hriC1 PRO 89 HG2 0.03 0.08 0.11 -0.04 2.03 2.22 3hriC1 PRO 89 HG3 0.03 0.02 0.09 -0.04 2.03 2.13 3hriC1 PRO 89 HD2 0.05 0.12 0.17 -0.04 3.68 3.98 3hriC1 PRO 89 HD3 0.05 0.12 0.21 -0.04 3.65 3.99 3hriC1 VAL 90 H 0.05 0.11 0.21 -0.55 8.24 8.07 3hriC1 VAL 90 HA 0.10 0.15 0.66 -0.75 4.13 4.28 3hriC1 VAL 90 HB 0.10 0.02 0.13 -0.04 2.12 2.33 3hriC1 VAL 90 HG13 0.11 0.01 0.10 -0.04 0.97 1.15 3hriC1 VAL 90 HG23 -0.01 -0.01 -0.07 -0.04 0.95 0.81 3hriC1 LEU 91 H 0.04 -0.04 -0.10 -0.55 8.37 7.73 3hriC1 LEU 91 HA 0.02 0.28 0.73 -0.75 4.35 4.63 3hriC1 LEU 91 HB2 0.04 -0.08 0.06 -0.04 1.64 1.62 3hriC1 LEU 91 HB3 0.03 -0.01 0.06 -0.04 1.64 1.68 3hriC1 LEU 91 HG -0.02 0.00 -0.17 -0.04 1.64 1.42 3hriC1 LEU 91 HD13 0.08 0.05 -0.21 -0.04 0.93 0.81 3hriC1 LEU 91 HD23 0.14 -0.00 -0.09 -0.04 0.89 0.89 3hriC1 GLU 92 H 0.08 0.66 0.32 -0.55 8.60 9.12 3hriC1 GLU 92 HA 0.06 0.16 0.89 -0.75 4.29 4.64 3hriC1 GLU 92 HB2 0.35 0.02 -0.02 -0.04 2.09 2.40 3hriC1 GLU 92 HB3 0.04 -0.04 0.02 -0.04 1.99 1.97 3hriC1 GLU 92 HG2 0.10 0.10 -0.65 -0.04 2.34 1.85 3hriC1 GLU 92 HG3 0.17 -0.01 -0.14 -0.04 2.34 2.32 3hriC1 SER 93 H 0.01 0.14 0.14 -0.55 8.46 8.21 3hriC1 SER 93 HA 0.01 0.19 0.52 -0.75 4.49 4.46 3hriC1 SER 93 HB2 0.02 0.08 0.13 -0.04 3.95 4.14 3hriC1 SER 93 HB3 -0.04 -0.04 0.11 -0.04 3.93 3.92 3hriC1 GLU 94 H -0.04 0.54 0.19 -0.55 8.60 8.74 3hriC1 GLU 94 HA 0.12 0.10 0.32 -0.75 4.29 4.07 3hriC1 GLU 94 HB2 -0.04 0.04 -0.20 -0.04 2.09 1.85 3hriC1 GLU 94 HB3 -0.03 -0.06 0.07 -0.04 1.99 1.93 3hriC1 GLU 94 HG2 0.02 -0.06 -0.16 -0.04 2.34 2.10 3hriC1 GLU 94 HG3 0.01 0.05 -0.08 -0.04 2.34 2.28 3hriC1 GLU 95 H -0.04 0.16 -0.06 -0.55 8.60 8.11 3hriC1 GLU 95 HA -0.01 0.01 0.25 -0.75 4.29 3.78 3hriC1 LEU 96 H -0.08 0.18 -0.61 -0.55 8.37 7.32 3hriC1 LEU 96 HA -0.04 0.06 0.27 -0.75 4.35 3.89 3hriC1 LEU 96 HB2 -0.22 -0.04 0.06 -0.04 1.64 1.40 3hriC1 LEU 96 HB3 -0.78 0.05 -0.03 -0.04 1.64 0.84 3hriC1 LEU 96 HG -0.35 -0.01 -0.06 -0.04 1.64 1.18 3hriC1 LEU 96 HD13 -0.13 -0.00 0.02 -0.04 0.93 0.77 3hriC1 LEU 96 HD23 -0.37 0.00 -0.16 -0.04 0.89 0.32 3hriC1 TYR 97 H 0.01 0.60 -0.10 -0.55 8.29 8.24 3hriC1 TYR 97 HA 0.07 0.10 0.51 -0.75 4.56 4.48 3hriC1 TYR 97 HB2 0.01 0.06 0.03 -0.04 3.06 3.11 3hriC1 TYR 97 HB3 0.02 -0.03 -0.01 -0.04 2.98 2.92 3hriC1 TYR 97 HD2 0.02 0.03 -0.04 -0.04 7.15 7.12 3hriC1 TYR 97 HE2 0.02 0.07 -0.09 -0.04 6.85 6.81 3hriC1 ILE 98 H 0.09 0.33 -0.11 -0.55 8.25 8.00 3hriC1 ILE 98 HA 0.04 0.10 0.34 -0.75 4.18 3.90 3hriC1 ILE 98 HB 0.03 -0.00 -0.09 -0.04 1.89 1.79 3hriC1 ILE 98 HG12 -0.00 -0.03 -0.22 -0.04 1.49 1.20 3hriC1 ILE 98 HG13 0.01 0.07 -0.49 -0.04 1.21 0.76 3hriC1 ILE 98 HG23 -0.00 0.06 -0.13 -0.04 0.93 0.81 3hriC1 ILE 98 HD13 -0.00 -0.00 -0.07 -0.04 0.88 0.76 3hriC1 ARG 99 H 0.00 0.60 -0.26 -0.55 8.46 8.24 3hriC1 ARG 99 HA -0.06 0.02 0.44 -0.75 4.34 3.99 3hriC1 ARG 99 HB2 -0.03 0.03 0.04 -0.04 1.90 1.91 3hriC1 ARG 99 HB3 -0.08 0.10 -0.09 -0.04 1.80 1.69 3hriC1 ARG 99 HG2 -0.14 0.03 0.09 -0.04 1.67 1.61 3hriC1 ARG 99 HG3 -0.06 -0.09 0.01 -0.04 1.67 1.49 3hriC1 ARG 99 HD2 -0.00 -0.08 -0.03 -0.04 3.22 3.07 3hriC1 ARG 99 HD3 -0.34 0.01 -0.13 -0.04 3.22 2.73 3hriC1 LYS 100 H -0.00 0.17 -0.55 -0.55 8.42 7.49 3hriC1 LYS 100 HA -0.17 0.11 0.63 -0.75 4.32 4.14 3hriC1 ALA 101 H 0.00 0.29 0.06 -0.55 8.40 8.21 3hriC1 ALA 101 HA -0.04 0.21 0.78 -0.75 4.34 4.54 3hriC1 ALA 101 HB3 -0.03 -0.02 -0.01 -0.04 1.41 1.31 3hriC1 GLY 102 H -0.01 0.46 0.10 -0.55 8.43 8.42 3hriC1 GLY 102 HA2 -0.02 0.12 0.37 -0.51 4.01 3.97 3hriC1 GLY 102 HA3 -0.02 0.12 0.70 -0.51 4.01 4.30 3hriC1 GLU 103 H -0.01 0.20 0.15 -0.55 8.60 8.40 3hriC1 GLU 103 HA -0.00 0.04 0.26 -0.75 4.29 3.83 3hriC1 GLU 103 HB2 -0.01 0.03 0.06 -0.04 2.09 2.13 3hriC1 GLU 103 HB3 -0.01 0.02 0.05 -0.04 1.99 2.01 3hriC1 GLU 103 HG2 -0.01 0.01 0.03 -0.04 2.34 2.33 3hriC1 GLU 103 HG3 -0.01 -0.02 0.08 -0.04 2.34 2.35 3hriC1 GLU 104 H -0.01 0.13 -0.35 -0.55 8.60 7.82 3hriC1 GLU 104 HA -0.01 0.05 0.37 -0.75 4.29 3.95 3hriC1 GLU 104 HB2 -0.01 0.02 -0.02 -0.04 2.09 2.05 3hriC1 GLU 104 HB3 -0.01 -0.00 0.06 -0.04 1.99 1.99 3hriC1 GLU 104 HG2 -0.02 0.06 -0.02 -0.04 2.34 2.33 3hriC1 GLU 104 HG3 -0.01 -0.06 -0.17 -0.04 2.34 2.06 3hriC1 ILE 105 H -0.00 0.40 -0.36 -0.55 8.25 7.74 3hriC1 ILE 105 HA -0.01 0.10 0.31 -0.75 4.18 3.83 3hriC1 ILE 105 HB -0.00 -0.00 -0.03 -0.04 1.89 1.82 3hriC1 ILE 105 HG12 0.02 0.13 -0.10 -0.04 1.49 1.50 3hriC1 ILE 105 HG13 0.04 -0.06 -0.36 -0.04 1.21 0.79 3hriC1 ILE 105 HG23 -0.01 0.02 -0.10 -0.04 0.93 0.80 3hriC1 ILE 105 HD13 0.06 -0.06 -0.37 -0.04 0.88 0.46 3hriC1 THR 106 H 0.00 0.36 -0.34 -0.55 8.28 7.76 3hriC1 THR 106 HA -0.00 0.01 0.39 -0.75 4.39 4.03 3hriC1 THR 106 HB -0.01 -0.03 0.02 -0.04 4.32 4.26 3hriC1 THR 106 HG23 0.00 -0.03 0.03 -0.04 1.22 1.18 3hriC1 GLU 107 H -0.00 0.33 -0.33 -0.55 8.60 8.04 3hriC1 GLU 107 HA 0.01 0.10 0.46 -0.75 4.29 4.10 3hriC1 GLU 107 HB2 0.00 0.14 0.08 -0.04 2.09 2.27 3hriC1 GLU 107 HB3 0.02 -0.03 0.13 -0.04 1.99 2.07 3hriC1 GLU 107 HG2 0.01 -0.02 0.01 -0.04 2.34 2.30 3hriC1 GLU 107 HG3 0.00 -0.08 -0.05 -0.04 2.34 2.17 3hriC1 GLN 108 H -0.00 0.35 -0.39 -0.55 8.47 7.88 3hriC1 GLN 108 HA 0.03 0.29 0.99 -0.75 4.36 4.92 3hriC1 GLN 108 HB2 -0.00 -0.02 0.10 -0.04 2.15 2.18 3hriC1 GLN 108 HB3 -0.00 -0.04 0.22 -0.04 2.02 2.16 3hriC1 GLN 108 HG2 -0.01 0.09 -0.01 -0.04 2.40 2.43 3hriC1 GLN 108 HG3 -0.01 -0.02 -0.12 -0.04 2.39 2.20 3hriC1 GLN 108 HE21 -0.02 -0.05 0.01 -0.04 6.97 6.86 3hriC1 GLN 108 HE22 -0.03 0.03 0.04 -0.04 7.69 7.69 3hriC1 MET 109 H -0.03 0.35 -0.10 -0.55 8.47 8.14 3hriC1 MET 109 HA -0.04 -0.07 0.77 -0.75 4.52 4.42 3hriC1 MET 109 HB2 0.04 0.11 0.18 -0.04 2.15 2.44 3hriC1 MET 109 HB3 -0.02 0.02 -0.09 -0.04 2.03 1.90 3hriC1 MET 109 HG2 -0.03 0.14 -0.03 -0.04 2.63 2.66 3hriC1 MET 109 HG3 -0.02 -0.03 -0.31 -0.04 2.56 2.16 3hriC1 MET 109 HE3 -0.03 -0.02 -0.23 -0.04 2.10 1.78 3hriC1 PHE 110 H 0.30 0.28 0.13 -0.55 8.34 8.49 3hriC1 PHE 110 HA -0.12 0.14 0.71 -0.75 4.62 4.60 3hriC1 PHE 110 HB2 -0.02 -0.09 0.25 -0.04 3.15 3.25 3hriC1 PHE 110 HB3 -0.02 0.05 0.04 -0.04 3.06 3.09 3hriC1 PHE 110 HD2 0.03 0.07 -0.07 -0.04 7.28 7.27 3hriC1 PHE 110 HE2 0.30 0.01 -0.27 -0.04 7.38 7.38 3hriC1 PHE 110 HZ 0.42 0.07 -0.13 -0.04 7.32 7.64 3hriC1 ASN 111 H -0.01 0.21 0.24 -0.55 8.53 8.43 3hriC1 ASN 111 HA -0.08 0.24 0.90 -0.75 4.76 5.06 3hriC1 ASN 111 HB2 -0.00 -0.03 0.04 -0.04 2.88 2.85 3hriC1 ASN 111 HB3 -0.04 -0.04 0.13 -0.04 2.79 2.80 3hriC1 ASN 111 HD21 -0.02 0.12 0.10 -0.04 7.03 7.19 3hriC1 ASN 111 HD22 -0.02 -0.08 0.00 -0.04 7.74 7.60 3hriC1 PHE 112 H -0.30 0.47 0.41 -0.55 8.34 8.38 3hriC1 PHE 112 HA -0.01 0.02 0.13 -0.75 4.62 4.01 3hriC1 PHE 112 HB2 -0.01 -0.08 0.26 -0.04 3.15 3.28 3hriC1 PHE 112 HB3 -0.02 0.16 0.39 -0.04 3.06 3.54 3hriC1 PHE 112 HD2 -0.02 0.17 -0.40 -0.04 7.28 7.00 3hriC1 PHE 112 HE2 -0.06 -0.02 -0.18 -0.04 7.38 7.09 3hriC1 PHE 112 HZ -0.07 -0.04 -0.17 -0.04 7.32 6.99 3hriC1 ILE 113 H 0.24 0.19 0.21 -0.55 8.25 8.34 3hriC1 ILE 113 HA 0.06 0.31 0.97 -0.75 4.18 4.76 3hriC1 ILE 113 HB 0.07 -0.02 0.05 -0.04 1.89 1.95 3hriC1 ILE 113 HG12 0.03 0.02 -0.05 -0.04 1.49 1.45 3hriC1 ILE 113 HG13 0.03 0.07 -0.19 -0.04 1.21 1.08 3hriC1 ILE 113 HG23 0.05 0.01 0.07 -0.04 0.93 1.02 3hriC1 ILE 113 HD13 0.05 -0.05 -0.14 -0.04 0.88 0.70 3hriC1 THR 114 H 0.09 0.40 0.27 -0.55 8.28 8.48 3hriC1 THR 114 HA 0.08 0.18 0.64 -0.75 4.39 4.53 3hriC1 THR 114 HB 0.02 -0.01 0.05 -0.04 4.32 4.34 3hriC1 THR 114 HG23 0.08 0.05 -0.24 -0.04 1.22 1.07 3hriC1 HIS 118 HA -0.01 -0.08 0.29 -0.75 4.63 4.08 3hriC1 HIS 118 HB2 -0.00 0.03 0.12 -0.04 3.26 3.37 3hriC1 HIS 118 HB3 -0.00 -0.07 -0.28 -0.04 3.20 2.81 3hriC1 HIS 118 HD2 -0.00 0.02 0.01 -0.04 6.97 6.95 3hriC1 HIS 118 HE1 -0.02 -0.02 -0.10 -0.04 7.75 7.56 3hriC1 ARG 119 H -0.20 0.06 0.18 -0.55 8.46 7.95 3hriC1 ARG 119 HA -0.03 0.34 0.85 -0.75 4.34 4.75 3hriC1 ARG 119 HB2 -0.08 -0.12 0.16 -0.04 1.90 1.82 3hriC1 ARG 119 HB3 -0.06 0.02 0.08 -0.04 1.80 1.80 3hriC1 ARG 119 HG2 -0.02 0.09 -0.04 -0.04 1.67 1.66 3hriC1 ARG 119 HG3 -0.03 -0.01 -0.02 -0.04 1.67 1.58 3hriC1 ARG 119 HD2 -0.03 -0.05 0.01 -0.04 3.22 3.11 3hriC1 ARG 119 HD3 -0.03 0.01 -0.00 -0.04 3.22 3.16 3hriC1 VAL 120 H -0.21 0.55 0.39 -0.55 8.24 8.42 3hriC1 VAL 120 HA -0.08 0.02 0.93 -0.75 4.13 4.24 3hriC1 VAL 120 HB -0.18 0.05 -0.14 -0.04 2.12 1.82 3hriC1 VAL 120 HG13 0.07 -0.01 -0.47 -0.04 0.97 0.51 3hriC1 VAL 120 HG23 -0.69 0.02 -0.21 -0.04 0.95 0.04 3hriC1 ALA 121 H -0.05 0.76 0.30 -0.55 8.40 8.87 3hriC1 ALA 121 HA -0.17 0.37 1.00 -0.75 4.34 4.78 3hriC1 ALA 121 HB3 -0.01 -0.02 -0.12 -0.04 1.41 1.22 3hriC1 LEU 122 H 0.06 0.46 0.26 -0.55 8.37 8.60 3hriC1 LEU 122 HA -0.01 0.26 0.92 -0.75 4.35 4.76 3hriC1 LEU 122 HB2 0.03 -0.07 0.21 -0.04 1.64 1.76 3hriC1 LEU 122 HB3 -0.19 0.03 0.00 -0.04 1.64 1.45 3hriC1 LEU 122 HG -0.06 0.02 -0.01 -0.04 1.64 1.55 3hriC1 LEU 122 HD13 -1.28 -0.01 -0.03 -0.04 0.93 -0.44 3hriC1 LEU 122 HD23 -0.24 0.00 -0.10 -0.04 0.89 0.51 3hriC1 ARG 123 H 0.08 0.45 0.25 -0.55 8.46 8.69 3hriC1 ARG 123 HA -0.44 0.01 0.18 -0.75 4.34 3.33 3hriC1 ARG 123 HB2 0.10 0.09 0.05 -0.04 1.90 2.10 3hriC1 ARG 123 HB3 0.19 0.05 0.11 -0.04 1.80 2.11 3hriC1 ARG 123 HG2 0.14 -0.05 0.20 -0.04 1.67 1.93 3hriC1 ARG 123 HG3 0.07 -0.09 -0.16 -0.04 1.67 1.45 3hriC1 ARG 123 HD2 0.12 -0.08 -0.07 -0.04 3.22 3.15 3hriC1 ARG 123 HD3 0.13 0.15 0.08 -0.04 3.22 3.54 3hriC1 PRO 124 HA 0.05 0.17 0.67 -0.51 4.44 4.82 3hriC1 PRO 124 HB2 -0.01 -0.05 -0.01 -0.04 2.28 2.16 3hriC1 PRO 124 HB3 0.01 0.14 0.20 -0.04 2.02 2.33 3hriC1 PRO 124 HG2 -0.16 -0.04 0.04 -0.04 2.03 1.82 3hriC1 PRO 124 HG3 -0.19 0.04 0.04 -0.04 2.03 1.88 3hriC1 PRO 124 HD2 -0.98 0.03 0.21 -0.04 3.68 2.91 3hriC1 PRO 124 HD3 -0.56 0.17 0.13 -0.04 3.65 3.34 3hriC1 GLU 125 H -0.04 0.25 0.05 -0.55 8.60 8.32 3hriC1 GLU 125 HA 0.06 0.16 0.58 -0.75 4.29 4.34 3hriC1 GLU 125 HB2 0.06 -0.15 0.00 -0.04 2.09 1.97 3hriC1 GLU 125 HB3 0.04 0.13 -0.09 -0.04 1.99 2.03 3hriC1 GLU 125 HG2 0.04 0.03 -0.11 -0.04 2.34 2.25 3hriC1 GLU 125 HG3 0.18 -0.02 -0.09 -0.04 2.34 2.37 3hriC1 MET 126 H 0.08 0.14 0.06 -0.55 8.47 8.20 3hriC1 MET 126 HA 0.12 0.20 0.45 -0.75 4.52 4.54 3hriC1 MET 126 HB2 0.05 0.10 -0.05 -0.04 2.15 2.21 3hriC1 MET 126 HB3 0.09 -0.02 0.01 -0.04 2.03 2.06 3hriC1 MET 126 HG2 0.03 0.04 -0.09 -0.04 2.63 2.58 3hriC1 MET 126 HG3 0.20 -0.07 -0.24 -0.04 2.56 2.41 3hriC1 MET 126 HE3 -0.00 0.00 -0.14 -0.04 2.10 1.92 3hriC1 THR 127 H 0.09 0.07 -0.05 -0.55 8.28 7.85 3hriC1 THR 127 HA 0.08 0.03 0.19 -0.75 4.39 3.93 3hriC1 THR 127 HB 0.04 0.10 -0.06 -0.04 4.32 4.35 3hriC1 THR 127 HG23 -0.11 0.01 -0.08 -0.04 1.22 1.00 3hriC1 PRO 128 HA -0.38 0.08 0.41 -0.51 4.44 4.05 3hriC1 PRO 128 HB2 -0.15 0.05 -0.11 -0.04 2.28 2.03 3hriC1 PRO 128 HB3 -0.24 0.11 -0.05 -0.04 2.02 1.81 3hriC1 PRO 128 HG2 0.35 0.06 -0.08 -0.04 2.03 2.32 3hriC1 PRO 128 HG3 0.15 0.08 -0.05 -0.04 2.03 2.17 3hriC1 PRO 128 HD2 0.16 0.14 -0.61 -0.04 3.68 3.33 3hriC1 PRO 128 HD3 0.08 0.04 -0.10 -0.04 3.65 3.63 3hriC1 SER 129 H 0.02 0.44 -0.26 -0.55 8.46 8.11 3hriC1 SER 129 HA -0.09 0.05 0.59 -0.75 4.49 4.30 3hriC1 SER 129 HB2 0.12 0.11 0.02 -0.04 3.95 4.17 3hriC1 SER 129 HB3 0.09 -0.02 -0.04 -0.04 3.93 3.92 3hriC1 LEU 130 H 0.05 0.31 -0.16 -0.55 8.37 8.02 3hriC1 LEU 130 HA -0.02 0.04 0.37 -0.75 4.35 3.98 3hriC1 LEU 130 HB2 0.10 -0.03 -0.02 -0.04 1.64 1.64 3hriC1 LEU 130 HB3 -0.01 0.18 0.11 -0.04 1.64 1.88 3hriC1 LEU 130 HG -0.16 0.02 -0.33 -0.04 1.64 1.12 3hriC1 LEU 130 HD13 -0.42 -0.01 -0.05 -0.04 0.93 0.41 3hriC1 LEU 130 HD23 0.02 -0.01 -0.12 -0.04 0.89 0.74 3hriC1 ALA 131 H -0.18 0.47 -0.22 -0.55 8.40 7.92 3hriC1 ALA 131 HA -0.17 -0.01 0.33 -0.75 4.34 3.73 3hriC1 ALA 131 HB3 -0.49 0.08 0.04 -0.04 1.41 1.00 3hriC1 ARG 132 H -0.27 0.43 -0.09 -0.55 8.46 7.98 3hriC1 ARG 132 HA -0.12 0.02 0.35 -0.75 4.34 3.84 3hriC1 ARG 132 HB2 -0.17 0.05 0.17 -0.04 1.90 1.91 3hriC1 ARG 132 HB3 -0.07 0.09 0.13 -0.04 1.80 1.90 3hriC1 ARG 132 HG2 -0.03 0.00 -0.11 -0.04 1.67 1.49 3hriC1 ARG 132 HG3 -0.06 -0.00 0.06 -0.04 1.67 1.63 3hriC1 ARG 132 HD2 -0.02 -0.02 0.01 -0.04 3.22 3.15 3hriC1 ARG 132 HD3 -0.07 -0.04 0.03 -0.04 3.22 3.09 3hriC1 GLN 133 H -0.03 0.62 -0.21 -0.55 8.47 8.30 3hriC1 GLN 133 HA 0.05 0.02 0.59 -0.75 4.36 4.26 3hriC1 GLN 133 HB2 0.13 0.09 0.15 -0.04 2.15 2.47 3hriC1 GLN 133 HB3 0.31 -0.03 -0.02 -0.04 2.02 2.24 3hriC1 GLN 133 HG2 0.10 -0.05 0.04 -0.04 2.40 2.45 3hriC1 GLN 133 HG3 0.11 0.08 0.01 -0.04 2.39 2.54 3hriC1 GLN 133 HE21 0.09 0.01 0.05 -0.04 6.97 7.07 3hriC1 GLN 133 HE22 0.17 -0.03 0.02 -0.04 7.69 7.81 3hriC1 LEU 134 H -0.16 0.74 0.03 -0.55 8.37 8.43 3hriC1 LEU 134 HA -0.28 -0.01 0.37 -0.75 4.35 3.67 3hriC1 LEU 134 HB2 -0.21 0.10 0.12 -0.04 1.64 1.62 3hriC1 LEU 134 HB3 -0.25 -0.05 -0.02 -0.04 1.64 1.28 3hriC1 LEU 134 HG -0.55 0.11 0.04 -0.04 1.64 1.19 3hriC1 LEU 134 HD13 -0.29 -0.04 -0.18 -0.04 0.93 0.38 3hriC1 LEU 134 HD23 -0.96 -0.02 -0.06 -0.04 0.89 -0.18 3hriC1 LEU 135 H -0.09 0.56 -0.26 -0.55 8.37 8.03 3hriC1 LEU 135 HA -0.05 0.02 0.47 -0.75 4.35 4.04 3hriC1 LEU 135 HB2 -0.05 0.08 0.08 -0.04 1.64 1.71 3hriC1 LEU 135 HB3 -0.02 -0.03 -0.06 -0.04 1.64 1.49 3hriC1 LEU 135 HG -0.06 0.08 -0.05 -0.04 1.64 1.57 3hriC1 LEU 135 HD13 0.01 -0.01 -0.15 -0.04 0.93 0.74 3hriC1 LEU 135 HD23 -0.02 -0.02 -0.06 -0.04 0.89 0.75 3hriC1 ALA 136 H -0.02 0.52 -0.06 -0.55 8.40 8.29 3hriC1 ALA 136 HA -0.00 -0.03 0.42 -0.75 4.34 3.98 3hriC1 ALA 136 HB3 0.02 0.03 0.16 -0.04 1.41 1.58 3hriC1 LYS 137 H 0.00 0.45 -0.28 -0.55 8.42 8.04 3hriC1 LYS 137 HA 0.03 0.00 0.38 -0.75 4.32 3.98 3hriC1 LYS 137 HB2 -0.01 0.15 0.03 -0.04 1.87 1.99 3hriC1 LYS 137 HB3 0.04 -0.11 -0.05 -0.04 1.79 1.63 3hriC1 LYS 137 HG2 0.09 -0.06 -0.03 -0.04 1.46 1.42 3hriC1 LYS 137 HG3 0.13 0.12 -0.02 -0.04 1.46 1.65 3hriC1 LYS 137 HD2 0.24 -0.03 -0.04 -0.04 1.69 1.82 3hriC1 LYS 137 HD3 0.12 -0.02 -0.05 -0.04 1.68 1.69 3hriC1 LYS 137 HE2 0.19 0.01 -0.03 -0.04 2.99 3.11 3hriC1 LYS 137 HE3 0.37 -0.02 -0.04 -0.04 2.99 3.27 3hriC1 GLY 138 H -0.02 0.35 -0.37 -0.55 8.43 7.84 3hriC1 GLY 138 HA2 -0.02 0.06 0.35 -0.51 4.01 3.89 3hriC1 GLY 138 HA3 -0.01 -0.05 0.31 -0.51 4.01 3.76 3hriC1 ARG 139 H -0.01 0.12 0.20 -0.55 8.46 8.22 3hriC1 ARG 139 HA -0.02 0.14 0.54 -0.75 4.34 4.24 3hriC1 SER 140 H -0.00 0.38 -0.25 -0.55 8.46 8.05 3hriC1 SER 140 HA 0.01 0.08 0.64 -0.75 4.49 4.47 3hriC1 SER 140 HB2 0.02 -0.08 0.11 -0.04 3.95 3.96 3hriC1 SER 140 HB3 0.01 -0.08 0.08 -0.04 3.93 3.90 3hriC1 LEU 141 H -0.01 0.31 -0.41 -0.55 8.37 7.72 3hriC1 LEU 141 HA 0.04 -0.01 0.51 -0.75 4.35 4.13 3hriC1 LEU 141 HB2 -0.04 0.03 -0.03 -0.04 1.64 1.55 3hriC1 LEU 141 HB3 -0.07 0.03 -0.00 -0.04 1.64 1.55 3hriC1 LEU 141 HG -0.22 -0.02 -0.04 -0.04 1.64 1.32 3hriC1 LEU 141 HD13 -0.24 -0.01 -0.25 -0.04 0.93 0.39 3hriC1 LEU 141 HD23 0.08 -0.01 -0.02 -0.04 0.89 0.89 3hriC1 LEU 142 H 0.05 0.10 0.13 -0.55 8.37 8.10 3hriC1 LEU 142 HA 0.01 0.06 0.44 -0.75 4.35 4.11 3hriC1 LEU 142 HB2 0.02 0.04 -0.03 -0.04 1.64 1.64 3hriC1 LEU 142 HB3 0.03 0.02 0.06 -0.04 1.64 1.71 3hriC1 LEU 142 HG 0.08 -0.02 0.13 -0.04 1.64 1.78 3hriC1 LEU 142 HD13 0.05 -0.00 0.01 -0.04 0.93 0.94 3hriC1 LEU 142 HD23 0.08 -0.01 0.11 -0.04 0.89 1.02 3hriC1 LEU 143 H -0.01 0.16 0.18 -0.55 8.37 8.14 3hriC1 LEU 143 HA -0.04 0.06 0.57 -0.75 4.35 4.18 3hriC1 LEU 143 HB2 -0.02 -0.01 0.11 -0.04 1.64 1.67 3hriC1 LEU 143 HB3 -0.04 -0.07 0.10 -0.04 1.64 1.59 3hriC1 LEU 143 HG -0.04 0.22 -0.08 -0.04 1.64 1.70 3hriC1 LEU 143 HD13 -0.04 -0.03 -0.01 -0.04 0.93 0.81 3hriC1 LEU 143 HD23 -0.09 0.00 -0.28 -0.04 0.89 0.48 3hriC1 PRO 144 HA -0.04 0.19 0.57 -0.51 4.44 4.65 3hriC1 PRO 144 HB2 -0.04 0.03 -0.09 -0.04 2.28 2.13 3hriC1 PRO 144 HB3 -0.03 -0.12 -0.05 -0.04 2.02 1.79 3hriC1 PRO 144 HG2 -0.02 0.07 0.04 -0.04 2.03 2.07 3hriC1 PRO 144 HG3 -0.02 -0.05 0.03 -0.04 2.03 1.95 3hriC1 PRO 144 HD2 -0.01 0.12 0.26 -0.04 3.68 4.01 3hriC1 PRO 144 HD3 -0.01 0.04 0.22 -0.04 3.65 3.86 3hriC1 ALA 145 H -0.08 0.57 0.40 -0.55 8.40 8.75 3hriC1 ALA 145 HA 0.06 0.20 0.91 -0.75 4.34 4.75 3hriC1 ALA 145 HB3 -0.20 0.03 0.05 -0.04 1.41 1.24 3hriC1 LYS 146 H 0.15 0.26 0.14 -0.55 8.42 8.41 3hriC1 LYS 146 HA -0.08 0.23 1.16 -0.75 4.32 4.86 3hriC1 LYS 146 HB2 -0.42 0.15 0.28 -0.04 1.87 1.84 3hriC1 LYS 146 HB3 -2.02 0.01 0.05 -0.04 1.79 -0.21 3hriC1 LYS 146 HG2 -0.23 -0.08 -0.41 -0.04 1.46 0.70 3hriC1 LYS 146 HG3 -0.21 0.08 -0.13 -0.04 1.46 1.16 3hriC1 LYS 146 HD2 -0.69 -0.05 -0.06 -0.04 1.69 0.84 3hriC1 LYS 146 HD3 -0.18 -0.12 -0.09 -0.04 1.68 1.26 3hriC1 LYS 146 HE2 -0.15 -0.05 -0.04 -0.04 2.99 2.72 3hriC1 LYS 146 HE3 -0.50 0.20 -0.11 -0.04 2.99 2.55 3hriC1 TRP 147 H 0.42 0.52 0.30 -0.55 7.97 8.67 3hriC1 TRP 147 HA 0.28 0.32 0.79 -0.75 4.62 5.26 3hriC1 TRP 147 HB2 -0.05 -0.04 0.05 -0.04 3.23 3.15 3hriC1 TRP 147 HB3 -0.17 -0.02 -0.06 -0.04 3.23 2.94 3hriC1 TRP 147 HD1 0.01 -0.16 -0.49 -0.04 7.22 6.54 3hriC1 TRP 147 HE1 -0.02 0.03 -0.05 -0.04 10.20 10.12 3hriC1 TRP 147 HE3 -1.12 -0.05 -0.09 -0.04 7.59 6.28 3hriC1 TRP 147 HZ2 -0.04 0.02 -0.05 -0.04 7.44 7.32 3hriC1 TRP 147 HZ3 -0.25 -0.03 -0.07 -0.04 7.13 6.74 3hriC1 TRP 147 HH2 -0.07 0.02 -0.10 -0.04 7.19 7.00 3hriC1 TYR 148 H 0.48 0.64 0.34 -0.55 8.29 9.19 3hriC1 TYR 148 HA 0.26 0.04 0.56 -0.75 4.56 4.67 3hriC1 TYR 148 HB2 0.05 0.22 0.22 -0.04 3.06 3.51 3hriC1 TYR 148 HB3 0.23 -0.04 -0.27 -0.04 2.98 2.86 3hriC1 TYR 148 HD2 0.31 0.05 -0.43 -0.04 7.15 7.03 3hriC1 TYR 148 HE2 0.05 0.00 -0.22 -0.04 6.85 6.65 3hriC1 SER 149 H 0.03 0.42 0.29 -0.55 8.46 8.65 3hriC1 SER 149 HA -0.49 0.15 0.77 -0.75 4.49 4.16 3hriC1 SER 149 HB2 -0.49 -0.02 0.17 -0.04 3.95 3.57 3hriC1 SER 149 HB3 -1.55 0.10 -0.08 -0.04 3.93 2.35 3hriC1 ILE 150 H -0.18 0.17 0.10 -0.55 8.25 7.80 3hriC1 ILE 150 HA -0.10 0.33 0.91 -0.75 4.18 4.56 3hriC1 ILE 150 HB -0.24 -0.00 0.14 -0.04 1.89 1.75 3hriC1 ILE 150 HG12 -0.06 0.10 -0.32 -0.04 1.49 1.17 3hriC1 ILE 150 HG13 -0.11 -0.03 -0.21 -0.04 1.21 0.82 3hriC1 ILE 150 HG23 -0.90 -0.02 -0.06 -0.04 0.93 -0.08 3hriC1 ILE 150 HD13 -0.57 -0.00 -0.05 -0.04 0.88 0.21 3hriC1 PRO 151 HA 0.03 0.01 0.34 -0.51 4.44 4.31 3hriC1 PRO 151 HB2 -0.01 0.22 -0.11 -0.04 2.28 2.35 3hriC1 PRO 151 HB3 -0.04 -0.01 0.06 -0.04 2.02 1.99 3hriC1 PRO 151 HG2 -0.02 0.01 -0.03 -0.04 2.03 1.94 3hriC1 PRO 151 HG3 -0.02 -0.06 -0.04 -0.04 2.03 1.87 3hriC1 PRO 151 HD2 -0.05 0.49 -0.00 -0.04 3.68 4.08 3hriC1 PRO 151 HD3 -0.15 -0.05 -0.22 -0.04 3.65 3.18 3hriC1 GLN 152 H 0.01 0.08 0.22 -0.55 8.47 8.24 3hriC1 GLN 152 HA -0.57 0.11 0.78 -0.75 4.36 3.92 3hriC1 GLN 152 HB2 -0.38 -0.03 0.14 -0.04 2.15 1.84 3hriC1 GLN 152 HB3 -0.06 -0.02 0.06 -0.04 2.02 1.96 3hriC1 GLN 152 HG2 -0.89 0.11 -0.03 -0.04 2.40 1.55 3hriC1 GLN 152 HG3 -1.42 -0.06 -0.06 -0.04 2.39 0.82 3hriC1 GLN 152 HE21 0.11 0.01 -0.01 -0.04 6.97 7.04 3hriC1 GLN 152 HE22 -0.46 -0.03 -0.04 -0.04 7.69 7.12 3hriC1 CYS 153 H -0.62 0.57 0.35 -0.55 8.50 8.24 3hriC1 CYS 153 HA -0.05 0.22 0.76 -0.75 4.58 4.76 3hriC1 CYS 153 HB2 -0.73 -0.04 -0.02 -0.04 2.97 2.14 3hriC1 CYS 153 HB3 -0.14 0.13 -0.23 -0.04 2.97 2.69 3hriC1 TRP 154 H 0.17 1.04 0.34 -0.55 7.97 8.98 3hriC1 TRP 154 HA 0.04 0.28 1.05 -0.75 4.62 5.24 3hriC1 TRP 154 HB2 -0.00 0.04 -0.09 -0.04 3.23 3.14 3hriC1 TRP 154 HB3 -0.09 -0.03 -0.07 -0.04 3.23 2.99 3hriC1 TRP 154 HD1 -0.11 0.06 -0.22 -0.04 7.22 6.91 3hriC1 TRP 154 HE1 -0.13 -0.05 -0.12 -0.04 10.20 9.86 3hriC1 TRP 154 HE3 -0.48 0.07 -0.09 -0.04 7.59 7.04 3hriC1 TRP 154 HZ2 -0.08 -0.04 -0.05 -0.04 7.44 7.23 3hriC1 TRP 154 HZ3 -0.16 0.05 -0.12 -0.04 7.13 6.86 3hriC1 TRP 154 HH2 -0.07 -0.03 -0.05 -0.04 7.19 6.99 3hriC1 ARG 155 H 0.35 0.80 0.36 -0.55 8.46 9.42 3hriC1 ARG 155 HA 0.22 0.15 0.98 -0.75 4.34 4.94 3hriC1 ARG 155 HB2 0.13 -0.01 -0.08 -0.04 1.90 1.90 3hriC1 ARG 155 HB3 0.14 -0.11 0.05 -0.04 1.80 1.84 3hriC1 ARG 155 HG2 0.05 0.04 -0.21 -0.04 1.67 1.52 3hriC1 ARG 155 HG3 0.05 0.17 0.16 -0.04 1.67 2.01 3hriC1 ARG 155 HD2 0.05 -0.02 -0.03 -0.04 3.22 3.18 3hriC1 ARG 155 HD3 0.05 -0.10 -0.06 -0.04 3.22 3.07 3hriC1 TYR 156 H 0.01 0.38 0.04 -0.55 8.29 8.17 3hriC1 TYR 156 HA -0.24 0.04 0.60 -0.75 4.56 4.21 3hriC1 TYR 156 HB2 -1.05 -0.10 -0.27 -0.04 3.06 1.60 3hriC1 TYR 156 HB3 -0.31 0.01 -0.24 -0.04 2.98 2.40 3hriC1 TYR 156 HD2 -0.29 0.08 -0.05 -0.04 7.15 6.84 3hriC1 TYR 156 HE2 -0.02 -0.03 -0.03 -0.04 6.85 6.73 3hriC1 GLU 157 H -0.12 0.29 0.24 -0.55 8.60 8.47 3hriC1 GLU 157 HA -0.19 0.10 0.56 -0.75 4.29 4.01 3hriC1 GLU 157 HB2 -0.01 -0.03 -0.18 -0.04 2.09 1.83 3hriC1 GLU 157 HB3 -0.04 0.12 0.04 -0.04 1.99 2.06 3hriC1 GLU 157 HG2 -0.04 0.25 0.07 -0.04 2.34 2.57 3hriC1 GLU 157 HG3 -0.01 -0.05 -0.06 -0.04 2.34 2.18 3hriC1 ALA 158 H -0.09 0.10 0.12 -0.55 8.40 7.98 3hriC1 ALA 158 HA -0.09 0.09 0.60 -0.75 4.34 4.19 3hriC1 ALA 158 HB3 -0.05 -0.00 0.07 -0.04 1.41 1.39 3hriC1 ILE 159 H -0.02 -0.01 0.13 -0.55 8.25 7.80 3hriC1 ILE 159 HA 0.00 0.50 0.77 -0.75 4.18 4.70 3hriC1 ILE 159 HB 0.01 -0.09 0.14 -0.04 1.89 1.91 3hriC1 ILE 159 HG12 0.04 -0.10 -0.08 -0.04 1.49 1.31 3hriC1 ILE 159 HG13 0.03 0.07 -0.02 -0.04 1.21 1.25 3hriC1 ILE 159 HG23 0.01 0.00 -0.14 -0.04 0.93 0.77 3hriC1 ILE 159 HD13 0.02 0.01 -0.33 -0.04 0.88 0.54 3hriC1 THR 160 H -0.00 0.05 0.11 -0.55 8.28 7.88 3hriC1 THR 160 HA 0.00 0.19 0.49 -0.75 4.39 4.32 3hriC1 THR 160 HB 0.00 0.04 0.20 -0.04 4.32 4.51 3hriC1 THR 160 HG23 0.00 0.00 0.05 -0.04 1.22 1.23 3hriC1 ARG 161 H -0.01 0.08 -0.96 -0.55 8.46 7.02 3hriC1 ARG 161 HA -0.00 0.18 0.65 -0.75 4.34 4.41 3hriC1 GLY 162 H 0.00 0.18 -0.17 -0.55 8.43 7.89 3hriC1 GLY 162 HA2 0.01 -0.03 0.31 -0.51 4.01 3.79 3hriC1 GLY 162 HA3 0.00 0.05 0.51 -0.51 4.01 4.06 3hriC1 ARG 163 H -0.00 0.17 0.18 -0.55 8.46 8.26 3hriC1 ARG 163 HA 0.00 0.02 0.32 -0.75 4.34 3.93 3hriC1 ARG 163 HB2 -0.01 0.05 0.13 -0.04 1.90 2.04 3hriC1 ARG 163 HB3 0.01 -0.07 0.05 -0.04 1.80 1.76 3hriC1 ARG 163 HG2 -0.03 -0.04 0.03 -0.04 1.67 1.59 3hriC1 ARG 163 HG3 -0.02 -0.03 0.02 -0.04 1.67 1.60 3hriC1 ARG 163 HD2 -0.00 0.04 -0.01 -0.04 3.22 3.21 3hriC1 ARG 163 HD3 -0.03 -0.01 -0.01 -0.04 3.22 3.12 3hriC1 ARG 164 H 0.02 0.06 0.08 -0.55 8.46 8.07 3hriC1 ARG 164 HA 0.03 0.22 0.95 -0.75 4.34 4.78 3hriC1 ARG 164 HB2 0.02 0.02 0.22 -0.04 1.90 2.12 3hriC1 ARG 164 HB3 0.02 0.07 -0.08 -0.04 1.80 1.77 3hriC1 ARG 164 HG2 0.02 -0.12 0.07 -0.04 1.67 1.60 3hriC1 ARG 164 HG3 0.02 0.20 0.14 -0.04 1.67 1.99 3hriC1 ARG 164 HD2 0.04 -0.04 0.08 -0.04 3.22 3.27 3hriC1 ARG 164 HD3 0.01 0.01 0.05 -0.04 3.22 3.26 3hriC1 ARG 165 H 0.06 0.10 -0.05 -0.55 8.46 8.02 3hriC1 ARG 165 HA 0.19 0.27 0.56 -0.75 4.34 4.60 3hriC1 ARG 165 HB2 0.15 0.20 -0.21 -0.04 1.90 2.00 3hriC1 ARG 165 HB3 0.39 -0.06 -0.01 -0.04 1.80 2.08 3hriC1 ARG 165 HG2 0.25 -0.05 0.20 -0.04 1.67 2.02 3hriC1 ARG 165 HG3 0.12 -0.03 -0.10 -0.04 1.67 1.61 3hriC1 ARG 165 HD2 0.23 0.16 -0.16 -0.04 3.22 3.42 3hriC1 ARG 165 HD3 0.55 -0.04 -0.05 -0.04 3.22 3.64 3hriC1 GLU 166 H -0.07 1.13 0.54 -0.55 8.60 9.66 3hriC1 GLU 166 HA -0.69 0.27 1.09 -0.75 4.29 4.22 3hriC1 GLU 166 HB2 -1.51 -0.01 0.03 -0.04 2.09 0.56 3hriC1 GLU 166 HB3 -0.35 0.19 0.31 -0.04 1.99 2.09 3hriC1 GLU 166 HG2 -0.80 -0.00 -0.05 -0.04 2.34 1.44 3hriC1 GLU 166 HG3 -0.71 -0.05 0.02 -0.04 2.34 1.56 3hriC1 HIS 167 H -0.55 0.60 0.34 -0.55 8.41 8.26 3hriC1 HIS 167 HA -0.04 0.05 0.58 -0.75 4.63 4.46 3hriC1 HIS 167 HB2 0.04 -0.14 0.16 -0.04 3.26 3.28 3hriC1 HIS 167 HB3 -0.04 0.06 -0.17 -0.04 3.20 3.01 3hriC1 HIS 167 HD2 0.05 0.08 -0.38 -0.04 6.97 6.67 3hriC1 HIS 167 HE1 -0.01 0.13 -0.08 -0.04 7.75 7.75 3hriC1 TYR 168 H 0.35 0.09 0.18 -0.55 8.29 8.36 3hriC1 TYR 168 HA -0.03 0.32 0.95 -0.75 4.56 5.04 3hriC1 TYR 168 HB2 0.39 -0.08 0.08 -0.04 3.06 3.41 3hriC1 TYR 168 HB3 0.11 0.08 -0.03 -0.04 2.98 3.10 3hriC1 TYR 168 HD2 0.13 0.10 -0.05 -0.04 7.15 7.29 3hriC1 TYR 168 HE2 0.05 0.01 -0.00 -0.04 6.85 6.86 3hriC1 GLN 169 H 0.10 0.43 -0.05 -0.55 8.47 8.41 3hriC1 GLN 169 HA 0.20 0.08 0.71 -0.75 4.36 4.60 3hriC1 GLN 169 HB2 0.32 -0.01 -0.42 -0.04 2.15 2.00 3hriC1 GLN 169 HB3 0.06 0.11 -0.10 -0.04 2.02 2.06 3hriC1 GLN 169 HG2 0.09 0.05 -0.63 -0.04 2.40 1.87 3hriC1 GLN 169 HG3 0.17 -0.11 -0.35 -0.04 2.39 2.06 3hriC1 GLN 169 HE21 0.10 -0.15 -0.04 -0.04 6.97 6.85 3hriC1 GLN 169 HE22 0.06 0.10 -0.13 -0.04 7.69 7.68 3hriC1 TRP 170 H 0.02 0.64 0.18 -0.55 7.97 8.26 3hriC1 TRP 170 HA -0.40 0.19 0.74 -0.75 4.62 4.40 3hriC1 TRP 170 HB2 -2.07 -0.02 0.14 -0.04 3.23 1.24 3hriC1 TRP 170 HB3 -0.65 -0.06 0.27 -0.04 3.23 2.75 3hriC1 TRP 170 HD1 -0.20 0.10 -0.00 -0.04 7.22 7.08 3hriC1 TRP 170 HE1 -0.34 0.01 -0.11 -0.04 10.20 9.72 3hriC1 TRP 170 HE3 -0.83 -0.03 -0.04 -0.04 7.59 6.65 3hriC1 TRP 170 HZ2 -0.38 0.02 -0.12 -0.04 7.44 6.92 3hriC1 TRP 170 HZ3 -0.35 -0.02 -0.11 -0.04 7.13 6.61 3hriC1 TRP 170 HH2 -0.25 0.05 -0.18 -0.04 7.19 6.76 3hriC1 ASN 171 H -0.02 0.78 0.52 -0.55 8.53 9.26 3hriC1 ASN 171 HA -0.26 0.26 1.08 -0.75 4.76 5.08 3hriC1 ASN 171 HB2 -0.01 0.03 0.16 -0.04 2.88 3.01 3hriC1 ASN 171 HB3 0.06 -0.04 -0.01 -0.04 2.79 2.76 3hriC1 ASN 171 HD21 0.09 -0.19 -0.05 -0.04 7.03 6.84 3hriC1 ASN 171 HD22 0.13 0.03 -0.11 -0.04 7.74 7.73 3hriC1 MET 172 H -0.41 0.24 0.19 -0.55 8.47 7.95 3hriC1 MET 172 HA -0.27 0.22 0.89 -0.75 4.52 4.60 3hriC1 MET 172 HB2 -1.92 0.04 -0.41 -0.04 2.15 -0.18 3hriC1 MET 172 HB3 -2.10 -0.14 0.07 -0.04 2.03 -0.18 3hriC1 MET 172 HG2 -0.95 -0.06 -0.12 -0.04 2.63 1.47 3hriC1 MET 172 HG3 -0.96 0.04 -0.10 -0.04 2.56 1.50 3hriC1 MET 172 HE3 -1.25 0.00 -0.14 -0.04 2.10 0.67 3hriC1 ASP 173 H 0.26 0.77 0.33 -0.55 8.40 9.22 3hriC1 ASP 173 HA 0.08 0.16 1.21 -0.75 4.63 5.33 3hriC1 ASP 173 HB2 0.16 0.01 0.04 -0.04 2.71 2.88 3hriC1 ASP 173 HB3 0.08 0.04 -0.06 -0.04 2.70 2.71 3hriC1 ILE 174 H 0.12 0.50 0.38 -0.55 8.25 8.71 3hriC1 ILE 174 HA 0.02 0.30 1.07 -0.75 4.18 4.82 3hriC1 ILE 174 HB 0.09 -0.11 0.17 -0.04 1.89 2.00 3hriC1 ILE 174 HG12 0.01 0.13 -0.02 -0.04 1.49 1.57 3hriC1 ILE 174 HG13 0.38 -0.05 -0.11 -0.04 1.21 1.38 3hriC1 ILE 174 HG23 -0.00 -0.03 -0.13 -0.04 0.93 0.73 3hriC1 ILE 174 HD13 0.17 -0.01 -0.03 -0.04 0.88 0.97 3hriC1 ILE 175 H -0.08 0.84 0.40 -0.55 8.25 8.86 3hriC1 ILE 175 HA -0.04 0.18 1.08 -0.75 4.18 4.64 3hriC1 ILE 175 HB -0.10 0.09 0.12 -0.04 1.89 1.96 3hriC1 ILE 175 HG12 -0.23 -0.07 -0.01 -0.04 1.49 1.14 3hriC1 ILE 175 HG13 -0.13 0.03 -0.42 -0.04 1.21 0.65 3hriC1 ILE 175 HG23 -0.21 0.03 -0.22 -0.04 0.93 0.49 3hriC1 ILE 175 HD13 -0.29 0.01 -0.10 -0.04 0.88 0.46 3hriC1 GLY 176 H -0.04 0.57 0.10 -0.55 8.43 8.52 3hriC1 GLY 176 HA2 -0.04 0.06 0.32 -0.51 4.01 3.84 3hriC1 GLY 176 HA3 -0.04 0.14 0.84 -0.51 4.01 4.44 3hriC1 VAL 177 H -0.02 0.12 -0.26 -0.55 8.24 7.54 3hriC1 VAL 177 HA -0.00 0.14 0.56 -0.75 4.13 4.06 3hriC1 VAL 177 HB 0.01 -0.02 0.02 -0.04 2.12 2.08 3hriC1 VAL 177 HG13 0.02 0.01 -0.17 -0.04 0.97 0.79 3hriC1 VAL 177 HG23 -0.01 0.04 -0.13 -0.04 0.95 0.81 3hriC1 LYS 178 H 0.00 0.25 0.21 -0.55 8.42 8.32 3hriC1 LYS 178 HA 0.01 0.05 0.45 -0.75 4.32 4.07 3hriC1 LYS 178 HB2 0.01 -0.02 0.18 -0.04 1.87 2.00 3hriC1 LYS 178 HB3 0.01 -0.02 -0.01 -0.04 1.79 1.73 3hriC1 LYS 178 HG2 -0.00 0.06 0.05 -0.04 1.46 1.52 3hriC1 LYS 178 HG3 0.00 0.04 0.06 -0.04 1.46 1.52 3hriC1 LYS 178 HD2 0.01 -0.02 0.02 -0.04 1.69 1.66 3hriC1 LYS 178 HD3 0.01 -0.06 0.04 -0.04 1.68 1.63 3hriC1 LYS 178 HE2 -0.00 0.05 0.02 -0.04 2.99 3.02 3hriC1 LYS 178 HE3 0.00 0.03 0.02 -0.04 2.99 3.00 3hriC1 SER 179 H 0.01 0.06 -0.04 -0.55 8.46 7.95 3hriC1 SER 179 HA 0.03 0.14 0.33 -0.75 4.49 4.24 3hriC1 SER 179 HB2 0.03 -0.04 0.08 -0.04 3.95 3.98 3hriC1 SER 179 HB3 0.02 0.09 0.08 -0.04 3.93 4.07 3hriC1 VAL 180 H 0.05 0.20 0.13 -0.55 8.24 8.07 3hriC1 VAL 180 HA 0.08 0.09 0.15 -0.75 4.13 3.69 3hriC1 VAL 180 HB 0.08 0.03 0.14 -0.04 2.12 2.32 3hriC1 VAL 180 HG13 0.10 0.03 -0.15 -0.04 0.97 0.92 3hriC1 VAL 180 HG23 0.18 -0.01 0.08 -0.04 0.95 1.16 3hriC1 SER 181 H 0.04 0.13 -0.65 -0.55 8.46 7.44 3hriC1 SER 181 HA 0.03 0.11 0.48 -0.75 4.49 4.35 3hriC1 SER 181 HB2 0.02 0.09 -0.03 -0.04 3.95 3.98 3hriC1 SER 181 HB3 0.02 0.03 0.00 -0.04 3.93 3.94 3hriC1 SER 182 H 0.05 0.36 -0.13 -0.55 8.46 8.20 3hriC1 SER 182 HA 0.08 0.15 0.47 -0.75 4.49 4.43 3hriC1 SER 182 HB2 0.07 0.04 0.02 -0.04 3.95 4.04 3hriC1 SER 182 HB3 0.04 0.05 0.03 -0.04 3.93 4.01 3hriC1 GLU 183 H 0.10 0.12 -0.23 -0.55 8.60 8.04 3hriC1 GLU 183 HA 0.12 0.05 0.40 -0.75 4.29 4.10 3hriC1 GLU 183 HB2 0.23 0.18 0.10 -0.04 2.09 2.56 3hriC1 GLU 183 HB3 0.11 0.02 -0.06 -0.04 1.99 2.01 3hriC1 GLU 183 HG2 0.02 -0.03 0.05 -0.04 2.34 2.34 3hriC1 GLU 183 HG3 0.10 0.00 0.01 -0.04 2.34 2.40 3hriC1 VAL 184 H 0.13 0.26 -0.42 -0.55 8.24 7.66 3hriC1 VAL 184 HA -0.20 0.00 0.24 -0.75 4.13 3.42 3hriC1 VAL 184 HB -0.04 0.19 0.15 -0.04 2.12 2.39 3hriC1 VAL 184 HG13 -0.20 -0.00 -0.21 -0.04 0.97 0.52 3hriC1 VAL 184 HG23 -0.15 0.10 0.05 -0.04 0.95 0.91 3hriC1 GLU 185 H 0.04 0.41 -0.21 -0.55 8.60 8.29 3hriC1 GLU 185 HA -0.04 0.10 0.46 -0.75 4.29 4.06 3hriC1 GLU 185 HB2 0.07 0.09 0.10 -0.04 2.09 2.30 3hriC1 GLU 185 HB3 0.22 0.02 -0.03 -0.04 1.99 2.17 3hriC1 GLU 185 HG2 0.20 -0.06 0.05 -0.04 2.34 2.49 3hriC1 GLU 185 HG3 -0.03 0.00 -0.02 -0.04 2.34 2.25 3hriC1 LEU 186 H 0.09 0.52 -0.16 -0.55 8.37 8.28 3hriC1 LEU 186 HA 0.15 0.07 0.38 -0.75 4.35 4.20 3hriC1 LEU 186 HB2 0.10 0.09 0.05 -0.04 1.64 1.84 3hriC1 LEU 186 HB3 0.41 -0.06 -0.17 -0.04 1.64 1.79 3hriC1 LEU 186 HG 0.24 0.04 -0.06 -0.04 1.64 1.81 3hriC1 LEU 186 HD13 0.20 -0.02 -0.29 -0.04 0.93 0.78 3hriC1 LEU 186 HD23 0.12 -0.01 -0.19 -0.04 0.89 0.77 3hriC1 VAL 187 H -0.23 0.53 -0.24 -0.55 8.24 7.74 3hriC1 VAL 187 HA -0.51 -0.02 0.30 -0.75 4.13 3.15 3hriC1 VAL 187 HB -0.07 0.12 -0.02 -0.04 2.12 2.11 3hriC1 VAL 187 HG13 -0.04 -0.02 -0.18 -0.04 0.97 0.69 3hriC1 VAL 187 HG23 -0.55 0.07 -0.08 -0.04 0.95 0.35 3hriC1 CYS 188 H -0.12 0.40 -0.32 -0.55 8.50 7.91 3hriC1 CYS 188 HA -0.14 -0.01 0.39 -0.75 4.58 4.07 3hriC1 CYS 188 HB2 -0.03 0.14 0.18 -0.04 2.97 3.22 3hriC1 CYS 188 HB3 -0.06 -0.00 -0.07 -0.04 2.97 2.79 3hriC1 ALA 189 H -0.12 0.69 -0.14 -0.55 8.40 8.29 3hriC1 ALA 189 HA -0.99 0.04 0.40 -0.75 4.34 3.04 3hriC1 ALA 189 HB3 -0.58 0.04 0.01 -0.04 1.41 0.84 3hriC1 ALA 190 H -0.36 0.55 -0.23 -0.55 8.40 7.81 3hriC1 ALA 190 HA -0.06 -0.01 0.34 -0.75 4.34 3.86 3hriC1 ALA 190 HB3 -0.41 0.04 -0.01 -0.04 1.41 0.98 3hriC1 CYS 191 H -0.42 0.63 -0.15 -0.55 8.50 8.01 3hriC1 CYS 191 HA -0.40 -0.03 0.44 -0.75 4.58 3.84 3hriC1 CYS 191 HB2 -1.93 0.14 0.10 -0.04 2.97 1.23 3hriC1 CYS 191 HB3 -2.82 -0.04 -0.05 -0.04 2.97 0.02 3hriC1 THR 192 H -0.33 0.78 -0.15 -0.55 8.28 8.03 3hriC1 THR 192 HA 0.05 -0.01 0.29 -0.75 4.39 3.96 3hriC1 THR 192 HB -0.08 0.08 0.19 -0.04 4.32 4.47 3hriC1 THR 192 HG23 0.21 -0.01 -0.10 -0.04 1.22 1.27 3hriC1 ALA 193 H -0.04 0.68 -0.14 -0.55 8.40 8.35 3hriC1 ALA 193 HA -0.15 0.05 0.41 -0.75 4.34 3.90 3hriC1 ALA 193 HB3 -0.13 0.01 0.02 -0.04 1.41 1.26 3hriC1 MET 194 H 0.04 0.49 -0.17 -0.55 8.47 8.28 3hriC1 MET 194 HA 0.16 -0.03 0.39 -0.75 4.52 4.28 3hriC1 MET 194 HB2 0.27 0.13 0.12 -0.04 2.15 2.64 3hriC1 MET 194 HB3 0.35 -0.10 -0.03 -0.04 2.03 2.21 3hriC1 MET 194 HG2 0.41 -0.08 -0.01 -0.04 2.63 2.90 3hriC1 MET 194 HG3 0.48 0.15 0.02 -0.04 2.56 3.17 3hriC1 MET 194 HE3 0.12 -0.04 -0.06 -0.04 2.10 2.08 3hriC1 GLN 195 H 0.01 0.75 -0.18 -0.55 8.47 8.50 3hriC1 GLN 195 HA 0.34 0.27 0.54 -0.75 4.36 4.76 3hriC1 GLN 195 HB2 0.03 -0.04 0.03 -0.04 2.15 2.13 3hriC1 GLN 195 HB3 0.09 0.09 0.07 -0.04 2.02 2.23 3hriC1 GLN 195 HG2 0.17 -0.01 -0.13 -0.04 2.40 2.39 3hriC1 GLN 195 HG3 0.32 0.03 0.07 -0.04 2.39 2.77 3hriC1 GLN 195 HE21 0.13 -0.01 -0.04 -0.04 6.97 7.01 3hriC1 GLN 195 HE22 0.16 0.04 -0.05 -0.04 7.69 7.79 3hriC1 SER 196 H 0.02 0.48 -0.18 -0.55 8.46 8.23 3hriC1 SER 196 HA 0.03 0.06 0.57 -0.75 4.49 4.39 3hriC1 SER 196 HB2 -0.11 0.07 0.15 -0.04 3.95 4.01 3hriC1 SER 196 HB3 -0.07 -0.07 0.09 -0.04 3.93 3.84 3hriC1 LEU 197 H 0.01 0.37 -0.22 -0.55 8.37 7.98 3hriC1 LEU 197 HA 0.02 0.10 0.62 -0.75 4.35 4.34 3hriC1 LEU 197 HB2 0.06 0.04 0.11 -0.04 1.64 1.82 3hriC1 LEU 197 HB3 0.06 -0.09 0.11 -0.04 1.64 1.69 3hriC1 LEU 197 HG -0.15 0.26 0.04 -0.04 1.64 1.75 3hriC1 LEU 197 HD13 0.01 -0.05 -0.06 -0.04 0.93 0.78 3hriC1 LEU 197 HD23 -0.23 -0.00 0.01 -0.04 0.89 0.62 3hriC1 GLY 198 H 0.10 0.27 -0.63 -0.55 8.43 7.62 3hriC1 GLY 198 HA2 0.09 0.06 0.21 -0.51 4.01 3.86 3hriC1 GLY 198 HA3 0.07 0.11 0.71 -0.51 4.01 4.40 3hriC1 LEU 199 H 0.14 0.45 0.05 -0.55 8.37 8.47 3hriC1 LEU 199 HA 0.05 -0.06 0.37 -0.75 4.35 3.95 3hriC1 LEU 199 HB2 0.22 0.12 -0.05 -0.04 1.64 1.88 3hriC1 LEU 199 HB3 0.03 -0.09 0.01 -0.04 1.64 1.55 3hriC1 LEU 199 HG 0.09 0.05 -0.12 -0.04 1.64 1.61 3hriC1 LEU 199 HD13 0.13 0.01 0.00 -0.04 0.93 1.03 3hriC1 LEU 199 HD23 0.02 -0.04 -0.10 -0.04 0.89 0.74 3hriC1 SER 200 H -0.07 -0.02 0.24 -0.55 8.46 8.07 3hriC1 SER 200 HA 0.07 0.31 0.88 -0.75 4.49 5.00 3hriC1 SER 200 HB2 -0.03 0.03 0.19 -0.04 3.95 4.10 3hriC1 SER 200 HB3 -0.00 0.16 0.10 -0.04 3.93 4.15 3hriC1 SER 201 H -0.38 0.19 0.13 -0.55 8.46 7.85 3hriC1 SER 201 HA -1.46 0.28 0.57 -0.75 4.49 3.12 3hriC1 SER 201 HB2 -0.36 0.12 -0.04 -0.04 3.95 3.63 3hriC1 SER 201 HB3 -1.20 -0.03 -0.14 -0.04 3.93 2.52 3hriC1 LYS 202 H -0.25 -0.07 -0.34 -0.55 8.42 7.21 3hriC1 LYS 202 HA -0.16 0.23 0.72 -0.75 4.32 4.35 3hriC1 ASP 203 H -0.23 0.09 -0.11 -0.55 8.40 7.61 3hriC1 ASP 203 HA -0.10 0.08 0.63 -0.75 4.63 4.48 3hriC1 ASP 203 HB2 -0.13 0.03 0.23 -0.04 2.71 2.80 3hriC1 ASP 203 HB3 -0.06 -0.03 -0.01 -0.04 2.70 2.56 3hriC1 VAL 204 H -0.35 0.46 0.15 -0.55 8.24 7.95 3hriC1 VAL 204 HA -0.33 0.10 1.11 -0.75 4.13 4.26 3hriC1 VAL 204 HB -0.08 0.07 0.12 -0.04 2.12 2.18 3hriC1 VAL 204 HG13 -0.02 -0.05 -0.15 -0.04 0.97 0.70 3hriC1 VAL 204 HG23 -0.02 0.02 -0.18 -0.04 0.95 0.72 3hriC1 GLY 205 H -0.57 0.63 0.38 -0.55 8.43 8.31 3hriC1 GLY 205 HA2 -0.01 0.09 0.45 -0.51 4.01 4.03 3hriC1 GLY 205 HA3 -0.12 0.13 0.47 -0.51 4.01 3.98 3hriC1 VAL 206 H 0.31 0.68 0.25 -0.55 8.24 8.92 3hriC1 VAL 206 HA 0.38 0.19 0.80 -0.75 4.13 4.75 3hriC1 VAL 206 HB 0.17 -0.04 -0.06 -0.04 2.12 2.14 3hriC1 VAL 206 HG13 0.13 0.01 -0.25 -0.04 0.97 0.83 3hriC1 VAL 206 HG23 0.14 -0.02 -0.25 -0.04 0.95 0.78 3hriC1 LYS 207 H 0.10 0.58 0.34 -0.55 8.42 8.88 3hriC1 LYS 207 HA -0.02 0.43 0.95 -0.75 4.32 4.93 3hriC1 LYS 207 HB2 -0.17 -0.07 0.15 -0.04 1.87 1.74 3hriC1 LYS 207 HB3 -0.22 0.02 -0.02 -0.04 1.79 1.53 3hriC1 LYS 207 HG2 -0.47 0.07 -0.10 -0.04 1.46 0.92 3hriC1 LYS 207 HG3 -0.95 -0.03 -0.14 -0.04 1.46 0.30 3hriC1 LYS 207 HD2 -0.38 -0.05 -0.08 -0.04 1.69 1.14 3hriC1 LYS 207 HD3 -0.35 -0.01 -0.10 -0.04 1.68 1.18 3hriC1 LYS 207 HE2 -0.57 0.03 -0.10 -0.04 2.99 2.30 3hriC1 LYS 207 HE3 -1.80 -0.00 -0.14 -0.04 2.99 1.00 3hriC1 ILE 208 H -0.04 0.52 0.40 -0.55 8.25 8.58 3hriC1 ILE 208 HA -0.06 0.31 1.16 -0.75 4.18 4.83 3hriC1 ILE 208 HB 0.06 -0.06 0.03 -0.04 1.89 1.88 3hriC1 ILE 208 HG12 -0.26 -0.05 -0.10 -0.04 1.49 1.04 3hriC1 ILE 208 HG13 -0.34 0.06 -0.00 -0.04 1.21 0.88 3hriC1 ILE 208 HG23 -0.09 -0.01 -0.10 -0.04 0.93 0.68 3hriC1 ILE 208 HD13 0.07 0.07 -0.57 -0.04 0.88 0.41 3hriC1 ASN 209 H -0.11 0.56 0.35 -0.55 8.53 8.79 3hriC1 ASN 209 HA -0.18 0.05 0.46 -0.75 4.76 4.33 3hriC1 ASN 209 HB2 -0.26 0.20 -0.11 -0.04 2.88 2.67 3hriC1 ASN 209 HB3 -0.12 0.00 -0.01 -0.04 2.79 2.62 3hriC1 ASN 209 HD21 -0.04 0.06 0.04 -0.04 7.03 7.05 3hriC1 ASN 209 HD22 -0.09 0.40 -0.04 -0.04 7.74 7.97 3hriC1 SER 210 H 0.05 0.34 0.18 -0.55 8.46 8.48 3hriC1 SER 210 HA -0.01 0.18 0.74 -0.75 4.49 4.65 3hriC1 SER 210 HB2 0.06 0.07 -0.10 -0.04 3.95 3.94 3hriC1 SER 210 HB3 0.05 -0.12 0.10 -0.04 3.93 3.92 3hriC1 ARG 211 H 0.01 0.60 0.15 -0.55 8.46 8.67 3hriC1 ARG 211 HA 0.04 0.10 0.72 -0.75 4.34 4.44 3hriC1 ARG 211 HB2 0.07 0.02 0.11 -0.04 1.90 2.06 3hriC1 ARG 211 HB3 0.06 0.01 0.02 -0.04 1.80 1.84 3hriC1 ARG 211 HG2 0.05 0.16 -0.20 -0.04 1.67 1.64 3hriC1 ARG 211 HG3 0.05 -0.10 -0.28 -0.04 1.67 1.30 3hriC1 ARG 211 HD2 0.08 -0.08 0.03 -0.04 3.22 3.20 3hriC1 ARG 211 HD3 0.09 0.20 -0.18 -0.04 3.22 3.29 3hriC1 LYS 212 H 0.02 0.04 -0.23 -0.55 8.42 7.70 3hriC1 LYS 212 HA 0.02 0.20 0.67 -0.75 4.32 4.46 3hriC1 LYS 212 HB2 0.02 -0.08 0.07 -0.04 1.87 1.84 3hriC1 LYS 212 HB3 0.03 -0.03 0.05 -0.04 1.79 1.79 3hriC1 LYS 212 HG2 0.05 0.03 0.06 -0.04 1.46 1.56 3hriC1 LYS 212 HG3 0.04 0.17 0.04 -0.04 1.46 1.67 3hriC1 LYS 212 HD2 0.03 0.13 0.10 -0.04 1.69 1.91 3hriC1 LYS 212 HD3 0.03 -0.11 0.04 -0.04 1.68 1.61 3hriC1 LYS 212 HE2 0.06 -0.10 -0.05 -0.04 2.99 2.87 3hriC1 LYS 212 HE3 0.05 0.06 0.01 -0.04 2.99 3.07 3hriC1 ILE 213 H 0.01 0.17 -0.26 -0.55 8.25 7.62 3hriC1 ILE 213 HA -0.09 0.06 0.46 -0.75 4.18 3.86 3hriC1 ILE 213 HB 0.05 0.11 0.16 -0.04 1.89 2.17 3hriC1 ILE 213 HG12 0.01 -0.01 -0.04 -0.04 1.49 1.41 3hriC1 ILE 213 HG13 0.04 -0.16 0.03 -0.04 1.21 1.08 3hriC1 ILE 213 HG23 0.03 0.02 -0.10 -0.04 0.93 0.84 3hriC1 ILE 213 HD13 0.23 0.01 0.02 -0.04 0.88 1.10 3hriC1 LEU 214 H 0.02 0.14 -0.14 -0.55 8.37 7.85 3hriC1 LEU 214 HA 0.01 0.09 0.28 -0.75 4.35 3.96 3hriC1 LEU 214 HB2 0.06 -0.01 0.13 -0.04 1.64 1.78 3hriC1 LEU 214 HB3 0.08 0.09 0.04 -0.04 1.64 1.81 3hriC1 LEU 214 HG 0.17 0.00 -0.02 -0.04 1.64 1.75 3hriC1 LEU 214 HD13 0.15 0.00 -0.07 -0.04 0.93 0.97 3hriC1 LEU 214 HD23 0.07 0.01 -0.02 -0.04 0.89 0.91 3hriC1 GLN 215 H 0.02 0.45 -0.13 -0.55 8.47 8.26 3hriC1 GLN 215 HA -0.01 0.06 0.46 -0.75 4.36 4.12 3hriC1 GLN 215 HB2 0.02 0.00 0.13 -0.04 2.15 2.26 3hriC1 GLN 215 HB3 0.03 0.15 0.20 -0.04 2.02 2.36 3hriC1 GLN 215 HG2 0.02 -0.08 0.11 -0.04 2.40 2.41 3hriC1 GLN 215 HG3 0.02 0.06 -0.26 -0.04 2.39 2.16 3hriC1 GLN 215 HE21 0.04 -0.02 0.02 -0.04 6.97 6.97 3hriC1 GLN 215 HE22 0.04 -0.12 0.05 -0.04 7.69 7.62 3hriC1 THR 216 H -0.04 0.29 -0.31 -0.55 8.28 7.67 3hriC1 THR 216 HA 0.01 0.15 0.45 -0.75 4.39 4.24 3hriC1 THR 216 HB -0.01 -0.06 0.07 -0.04 4.32 4.28 3hriC1 THR 216 HG23 0.04 -0.04 0.08 -0.04 1.22 1.26 3hriC1 VAL 217 H -0.06 0.44 -0.06 -0.55 8.24 8.01 3hriC1 VAL 217 HA -0.04 -0.01 0.52 -0.75 4.13 3.84 3hriC1 VAL 217 HB -0.05 0.10 0.10 -0.04 2.12 2.23 3hriC1 VAL 217 HG13 -0.05 0.01 -0.10 -0.04 0.97 0.79 3hriC1 VAL 217 HG23 -0.03 0.01 0.05 -0.04 0.95 0.93 3hriC1 VAL 218 H -0.07 0.25 -0.53 -0.55 8.24 7.35 3hriC1 VAL 218 HA -0.09 -0.04 0.59 -0.75 4.13 3.84 3hriC1 VAL 218 HB -0.09 0.16 0.15 -0.04 2.12 2.30 3hriC1 VAL 218 HG13 -0.08 -0.03 -0.40 -0.04 0.97 0.41 3hriC1 VAL 218 HG23 -0.27 -0.01 -0.08 -0.04 0.95 0.54 3hriC1 GLU 219 H -0.04 0.21 0.09 -0.55 8.60 8.31 3hriC1 GLU 219 HA -0.01 0.13 0.53 -0.75 4.29 4.19 3hriC1 ASP 226 HA 0.04 -0.02 0.22 -0.75 4.63 4.12 3hriC1 LYS 227 H 0.05 0.21 0.05 -0.55 8.42 8.18 3hriC1 LYS 227 HA 0.05 0.05 0.72 -0.75 4.32 4.39 3hriC1 PHE 228 H 0.17 0.19 0.09 -0.55 8.34 8.25 3hriC1 PHE 228 HA 0.00 0.25 0.93 -0.75 4.62 5.04 3hriC1 PHE 228 HB2 0.00 0.10 -0.15 -0.04 3.15 3.06 3hriC1 PHE 228 HB3 0.01 0.05 -0.00 -0.04 3.06 3.07 3hriC1 PHE 228 HD2 0.00 0.03 -0.09 -0.04 7.28 7.18 3hriC1 PHE 228 HE2 0.00 -0.01 -0.09 -0.04 7.38 7.24 3hriC1 PHE 228 HZ 0.00 -0.02 -0.10 -0.04 7.32 7.16 3hriC1 ALA 229 H 0.14 0.15 0.14 -0.55 8.40 8.29 3hriC1 ALA 229 HA -0.31 0.03 0.32 -0.75 4.34 3.63 3hriC1 ALA 229 HB3 0.06 0.02 -0.01 -0.04 1.41 1.43 3hriC1 PRO 230 HA -0.08 0.00 0.58 -0.51 4.44 4.43 3hriC1 PRO 230 HB2 -0.07 0.11 -0.10 -0.04 2.28 2.17 3hriC1 PRO 230 HB3 -0.05 0.03 0.03 -0.04 2.02 1.99 3hriC1 PRO 230 HG2 -0.03 0.11 -0.09 -0.04 2.03 1.98 3hriC1 PRO 230 HG3 -0.03 0.02 -0.03 -0.04 2.03 1.96 3hriC1 PRO 230 HD2 -0.04 0.06 -0.59 -0.04 3.68 3.06 3hriC1 PRO 230 HD3 -0.02 0.06 -0.07 -0.04 3.65 3.59 3hriC1 VAL 231 H -0.32 0.68 -0.15 -0.55 8.24 7.91 3hriC1 VAL 231 HA -0.12 0.08 0.48 -0.75 4.13 3.81 3hriC1 VAL 231 HB -0.40 0.09 0.04 -0.04 2.12 1.80 3hriC1 VAL 231 HG13 -0.09 -0.02 -0.13 -0.04 0.97 0.69 3hriC1 VAL 231 HG23 -0.09 0.03 -0.03 -0.04 0.95 0.82 3hriC1 CYS 232 H -0.37 0.19 -0.17 -0.55 8.50 7.60 3hriC1 CYS 232 HA -0.12 0.08 0.45 -0.75 4.58 4.23 3hriC1 CYS 232 HB2 -0.14 0.06 0.07 -0.04 2.97 2.92 3hriC1 CYS 232 HB3 -0.06 0.02 -0.04 -0.04 2.97 2.85 3hriC1 VAL 233 H -0.10 0.25 -0.22 -0.55 8.24 7.61 3hriC1 VAL 233 HA -0.04 0.01 0.29 -0.75 4.13 3.64 3hriC1 VAL 233 HB -0.06 0.17 0.09 -0.04 2.12 2.29 3hriC1 VAL 233 HG13 -0.03 -0.02 -0.08 -0.04 0.97 0.80 3hriC1 VAL 233 HG23 -0.03 0.12 0.19 -0.04 0.95 1.19 3hriC1 ILE 234 H -0.06 0.21 -0.49 -0.55 8.25 7.36 3hriC1 ILE 234 HA -0.03 0.06 0.22 -0.75 4.18 3.67 3hriC1 ILE 234 HB -0.05 0.14 0.06 -0.04 1.89 2.00 3hriC1 ILE 234 HG12 -0.04 -0.04 -0.04 -0.04 1.49 1.32 3hriC1 ILE 234 HG13 -0.05 0.12 0.04 -0.04 1.21 1.27 3hriC1 ILE 234 HG23 -0.03 -0.02 0.03 -0.04 0.93 0.87 3hriC1 ILE 234 HD13 -0.04 -0.01 0.01 -0.04 0.88 0.80 3hriC1 PRO 242 HA -0.01 -0.03 0.22 -0.51 4.44 4.11 3hriC1 PRO 242 HB2 -0.01 -0.23 0.12 -0.04 2.28 2.12 3hriC1 PRO 242 HB3 -0.01 0.08 0.03 -0.04 2.02 2.08 3hriC1 PRO 242 HG2 -0.01 -0.04 0.11 -0.04 2.03 2.05 3hriC1 PRO 242 HG3 -0.01 0.09 -0.39 -0.04 2.03 1.67 3hriC1 PRO 242 HD2 -0.01 0.07 0.82 -0.04 3.68 4.53 3hriC1 PRO 242 HD3 -0.01 0.06 0.38 -0.04 3.65 4.03 3hriC1 ARG 243 H -0.00 0.23 0.12 -0.55 8.46 8.26 3hriC1 ARG 243 HA 0.00 0.11 0.34 -0.75 4.34 4.03 3hriC1 GLU 244 H 0.00 0.08 -0.28 -0.55 8.60 7.86 3hriC1 GLU 244 HA 0.01 0.17 0.97 -0.75 4.29 4.69 3hriC1 GLU 244 HB2 0.00 0.05 0.13 -0.04 2.09 2.23 3hriC1 GLU 244 HB3 0.00 0.02 -0.02 -0.04 1.99 1.95 3hriC1 GLU 244 HG2 0.00 -0.07 -0.04 -0.04 2.34 2.19 3hriC1 GLU 244 HG3 0.00 0.04 -0.19 -0.04 2.34 2.15 3hriC1 GLU 245 H -0.00 0.33 -0.10 -0.55 8.60 8.28 3hriC1 GLU 245 HA -0.00 0.16 0.86 -0.75 4.29 4.56 3hriC1 VAL 246 H 0.00 0.34 0.01 -0.55 8.24 8.05 3hriC1 VAL 246 HA -0.01 0.23 0.89 -0.75 4.13 4.49 3hriC1 VAL 246 HB 0.01 -0.02 0.04 -0.04 2.12 2.12 3hriC1 VAL 246 HG13 -0.00 0.03 -0.06 -0.04 0.97 0.89 3hriC1 VAL 246 HG23 -0.01 0.09 -0.02 -0.04 0.95 0.97 3hriC1 VAL 247 H 0.01 0.32 0.03 -0.55 8.24 8.05 3hriC1 VAL 247 HA 0.03 0.08 0.46 -0.75 4.13 3.95 3hriC1 VAL 247 HB 0.01 -0.01 0.20 -0.04 2.12 2.28 3hriC1 VAL 247 HG13 0.02 -0.00 -0.06 -0.04 0.97 0.88 3hriC1 VAL 247 HG23 0.02 0.02 0.10 -0.04 0.95 1.05 3hriC1 ALA 248 H 0.01 0.01 -0.74 -0.55 8.40 7.13 3hriC1 ALA 248 HA 0.01 0.08 0.56 -0.75 4.34 4.24 3hriC1 ALA 248 HB3 0.00 0.07 0.11 -0.04 1.41 1.55 3hriC1 GLN 249 H 0.00 0.20 -0.39 -0.55 8.47 7.74 3hriC1 GLN 249 HA 0.00 -0.00 0.22 -0.75 4.36 3.83 3hriC1 LEU 250 H 0.04 0.73 -0.23 -0.55 8.37 8.36 3hriC1 LEU 250 HA 0.13 0.04 0.50 -0.75 4.35 4.25 3hriC1 LEU 250 HB2 0.08 0.00 0.04 -0.04 1.64 1.72 3hriC1 LEU 250 HB3 0.16 -0.04 -0.05 -0.04 1.64 1.68 3hriC1 LEU 250 HG 0.09 0.11 -0.16 -0.04 1.64 1.64 3hriC1 LEU 250 HD13 0.23 -0.02 -0.04 -0.04 0.93 1.06 3hriC1 LEU 250 HD23 0.15 -0.02 -0.11 -0.04 0.89 0.87 3hriC1 ALA 251 H 0.04 0.35 -0.31 -0.55 8.40 7.93 3hriC1 ALA 251 HA 0.03 0.06 0.29 -0.75 4.34 3.97 3hriC1 ALA 251 HB3 0.02 0.04 0.18 -0.04 1.41 1.61 3hriC1 ALA 252 H 0.02 0.36 -0.24 -0.55 8.40 8.00 3hriC1 ALA 252 HA 0.01 -0.04 0.29 -0.75 4.34 3.85 3hriC1 ALA 252 HB3 0.01 0.02 0.04 -0.04 1.41 1.45 3hriC1 ILE 253 H 0.04 0.49 -0.31 -0.55 8.25 7.93 3hriC1 ILE 253 HA 0.03 0.02 0.16 -0.75 4.18 3.63 3hriC1 ILE 253 HB 0.08 0.03 0.05 -0.04 1.89 2.00 3hriC1 ILE 253 HG12 0.05 -0.06 0.05 -0.04 1.49 1.48 3hriC1 ILE 253 HG13 0.07 0.16 0.13 -0.04 1.21 1.53 3hriC1 ILE 253 HG23 0.06 -0.02 0.08 -0.04 0.93 1.01 3hriC1 ILE 253 HD13 0.14 -0.01 0.07 -0.04 0.88 1.04 3hriC1 GLY 254 H 0.02 0.38 -0.41 -0.55 8.43 7.87 3hriC1 GLY 254 HA2 0.01 -0.02 0.26 -0.51 4.01 3.74 3hriC1 GLY 254 HA3 0.01 0.12 0.76 -0.51 4.01 4.39 3hriC1 LEU 255 H 0.02 0.26 -0.01 -0.55 8.37 8.09 3hriC1 LEU 255 HA -0.01 0.08 0.84 -0.75 4.35 4.50 3hriC1 LEU 255 HB2 0.02 0.09 0.02 -0.04 1.64 1.73 3hriC1 LEU 255 HB3 -0.01 0.00 -0.10 -0.04 1.64 1.49 3hriC1 LEU 255 HG -0.04 -0.02 -0.04 -0.04 1.64 1.50 3hriC1 LEU 255 HD13 -0.00 0.02 -0.24 -0.04 0.93 0.66 3hriC1 LEU 255 HD23 -0.11 -0.01 -0.15 -0.04 0.89 0.57 3hriC1 GLU 256 H -0.01 0.13 0.10 -0.55 8.60 8.28 3hriC1 GLU 256 HA 0.00 0.14 0.46 -0.75 4.29 4.14 3hriC1 GLU 256 HB2 -0.01 0.06 0.15 -0.04 2.09 2.25 3hriC1 GLU 256 HB3 -0.00 -0.19 0.09 -0.04 1.99 1.85 3hriC1 GLU 256 HG2 -0.00 0.02 0.07 -0.04 2.34 2.39 3hriC1 GLU 256 HG3 -0.00 -0.04 0.11 -0.04 2.34 2.37 3hriC1 SER 257 H 0.00 0.15 0.15 -0.55 8.46 8.22 3hriC1 SER 257 HA 0.01 0.15 0.52 -0.75 4.49 4.41 3hriC1 SER 257 HB2 0.00 0.07 0.15 -0.04 3.95 4.13 3hriC1 SER 257 HB3 0.00 -0.04 0.15 -0.04 3.93 4.00 3hriC1 ASN 258 H -0.00 0.10 -0.03 -0.55 8.53 8.05 3hriC1 ASN 258 HA -0.00 0.06 0.33 -0.75 4.76 4.39 3hriC1 VAL 259 H -0.02 0.08 -0.34 -0.55 8.24 7.41 3hriC1 VAL 259 HA -0.03 0.11 0.37 -0.75 4.13 3.83 3hriC1 VAL 259 HB -0.03 -0.02 0.04 -0.04 2.12 2.07 3hriC1 VAL 259 HG13 -0.04 0.02 -0.13 -0.04 0.97 0.78 3hriC1 VAL 259 HG23 -0.08 0.03 -0.04 -0.04 0.95 0.82 3hriC1 VAL 260 H -0.01 0.34 -0.25 -0.55 8.24 7.77 3hriC1 VAL 260 HA 0.01 0.05 0.31 -0.75 4.13 3.74 3hriC1 VAL 260 HB 0.01 -0.01 0.18 -0.04 2.12 2.26 3hriC1 VAL 260 HG13 0.04 -0.02 -0.07 -0.04 0.97 0.89 3hriC1 VAL 260 HG23 0.02 0.16 -0.08 -0.04 0.95 1.01 3hriC1 ASP 261 H 0.00 0.59 -0.07 -0.55 8.40 8.37 3hriC1 ASP 261 HA 0.01 -0.01 0.56 -0.75 4.63 4.44 3hriC1 ASP 261 HB2 0.01 -0.04 0.06 -0.04 2.71 2.70 3hriC1 ASP 261 HB3 0.00 0.17 0.07 -0.04 2.70 2.90 3hriC1 ALA 262 H -0.01 0.37 -0.22 -0.55 8.40 8.00 3hriC1 ALA 262 HA -0.01 -0.03 0.32 -0.75 4.34 3.87 3hriC1 ALA 262 HB3 -0.02 0.04 0.13 -0.04 1.41 1.52 3hriC1 ILE 263 H -0.00 0.19 -1.01 -0.55 8.25 6.88 3hriC1 ILE 263 HA 0.01 0.11 0.77 -0.75 4.18 4.31 3hriC1 ILE 263 HB 0.06 0.18 0.15 -0.04 1.89 2.24 3hriC1 ILE 263 HG12 -0.14 -0.04 -0.04 -0.04 1.49 1.24 3hriC1 ILE 263 HG13 -0.11 0.10 -0.21 -0.04 1.21 0.94 3hriC1 ILE 263 HG23 0.23 -0.03 -0.18 -0.04 0.93 0.91 3hriC1 ILE 263 HD13 -0.33 -0.02 -0.09 -0.04 0.88 0.40 3hriC1 THR 264 H 0.04 0.42 0.17 -0.55 8.28 8.36 3hriC1 THR 264 HA 0.04 -0.02 0.30 -0.75 4.39 3.96 3hriC1 THR 264 HB 0.02 0.07 0.27 -0.04 4.32 4.64 3hriC1 THR 264 HG23 0.02 -0.01 -0.16 -0.04 1.22 1.02 3hriC1 SER 265 H 0.02 0.36 -0.38 -0.55 8.46 7.91 3hriC1 SER 265 HA 0.02 0.03 0.40 -0.75 4.49 4.19 3hriC1 SER 265 HB2 0.02 -0.03 -0.07 -0.04 3.95 3.82 3hriC1 SER 265 HB3 0.01 -0.02 0.01 -0.04 3.93 3.89 3hriC1 THR 266 H 0.02 0.30 -0.10 -0.55 8.28 7.95 3hriC1 THR 266 HA 0.04 -0.03 0.28 -0.75 4.39 3.93 3hriC1 THR 266 HB 0.04 -0.09 -0.03 -0.04 4.32 4.21 3hriC1 THR 266 HG23 0.01 0.02 0.03 -0.04 1.22 1.24 3hriC1 LEU 267 H 0.04 0.29 -0.20 -0.55 8.37 7.95 3hriC1 LEU 267 HA 0.01 0.06 0.11 -0.75 4.35 3.78 3hriC1 LEU 267 HB2 0.03 0.14 -0.14 -0.04 1.64 1.63 3hriC1 LEU 267 HB3 0.01 0.02 -0.20 -0.04 1.64 1.42 3hriC1 LEU 267 HG 0.01 0.01 -0.08 -0.04 1.64 1.54 3hriC1 LEU 267 HD13 0.07 -0.01 -0.11 -0.04 0.93 0.84 3hriC1 LEU 267 HD23 0.03 -0.02 -0.10 -0.04 0.89 0.77 3hriC1 SER 268 H 0.02 0.30 -0.59 -0.55 8.46 7.65 3hriC1 SER 268 HA -0.00 0.03 0.38 -0.75 4.49 4.14 3hriC1 SER 268 HB2 0.01 -0.09 0.01 -0.04 3.95 3.84 3hriC1 SER 268 HB3 0.00 -0.07 0.03 -0.04 3.93 3.85 3hriC1 LEU 269 H 0.05 0.48 0.01 -0.55 8.37 8.36 3hriC1 LEU 269 HA 0.06 -0.05 0.42 -0.75 4.35 4.03 3hriC1 LEU 269 HB2 0.13 0.10 0.05 -0.04 1.64 1.88 3hriC1 LEU 269 HB3 0.10 -0.21 0.01 -0.04 1.64 1.49 3hriC1 LEU 269 HG 0.05 0.25 -0.11 -0.04 1.64 1.78 3hriC1 LEU 269 HD13 0.03 -0.02 -0.16 -0.04 0.93 0.75 3hriC1 LEU 269 HD23 0.03 -0.03 -0.05 -0.04 0.89 0.81 3hriC1 LYS 270 H 0.09 0.03 0.19 -0.55 8.42 8.18 3hriC1 LYS 270 HA 0.17 0.26 1.02 -0.75 4.32 5.02 3hriC1 LYS 270 HB2 0.06 -0.06 0.12 -0.04 1.87 1.96 3hriC1 LYS 270 HB3 0.08 0.00 0.21 -0.04 1.79 2.04 3hriC1 THR 271 H 0.11 0.13 0.04 -0.55 8.28 8.02 3hriC1 THR 271 HA 0.05 0.27 0.89 -0.75 4.39 4.84 3hriC1 THR 271 HB -0.03 -0.15 0.10 -0.04 4.32 4.19 3hriC1 THR 271 HG23 0.05 0.05 -0.12 -0.04 1.22 1.16 3hriC1 ILE 272 H -0.28 0.27 0.15 -0.55 8.25 7.84 3hriC1 ILE 272 HA -0.62 0.11 0.40 -0.75 4.18 3.32 3hriC1 ILE 272 HB -0.15 0.01 0.10 -0.04 1.89 1.81 3hriC1 ILE 272 HG12 -0.47 0.00 -0.00 -0.04 1.49 0.98 3hriC1 ILE 272 HG13 -0.37 0.01 0.06 -0.04 1.21 0.86 3hriC1 ILE 272 HG23 -0.12 0.02 -0.14 -0.04 0.93 0.65 3hriC1 ILE 272 HD13 -0.01 0.02 -0.09 -0.04 0.88 0.77 3hriC1 ASP 273 H -0.10 0.15 -0.10 -0.55 8.40 7.80 3hriC1 ASP 273 HA -0.05 0.10 0.52 -0.75 4.63 4.44 3hriC1 ASP 273 HB2 -0.03 -0.02 0.03 -0.04 2.71 2.65 3hriC1 ASP 273 HB3 -0.02 0.08 -0.03 -0.04 2.70 2.69 3hriC1 GLU 274 H -0.07 0.05 -0.35 -0.55 8.60 7.69 3hriC1 GLU 274 HA -0.02 0.11 0.38 -0.75 4.29 4.01 3hriC1 GLU 274 HB2 -0.01 -0.15 0.14 -0.04 2.09 2.04 3hriC1 GLU 274 HB3 0.00 0.08 -0.01 -0.04 1.99 2.02 3hriC1 GLU 274 HG2 0.01 0.07 0.01 -0.04 2.34 2.40 3hriC1 GLU 274 HG3 0.00 0.03 0.04 -0.04 2.34 2.37 3hriC1 ILE 275 H -0.15 0.13 -0.36 -0.55 8.25 7.32 3hriC1 ILE 275 HA -0.04 0.16 0.47 -0.75 4.18 4.02 3hriC1 ILE 275 HB -0.20 0.05 0.08 -0.04 1.89 1.78 3hriC1 ILE 275 HG12 -0.34 0.16 -0.09 -0.04 1.49 1.18 3hriC1 ILE 275 HG13 -0.29 -0.06 -0.11 -0.04 1.21 0.71 3hriC1 ILE 275 HG23 -0.04 -0.01 -0.10 -0.04 0.93 0.73 3hriC1 ILE 275 HD13 0.13 0.02 -0.15 -0.04 0.88 0.84 3hriC1 ALA 276 H -0.08 0.61 -0.05 -0.55 8.40 8.34 3hriC1 ALA 276 HA -0.03 0.12 0.40 -0.75 4.34 4.07 3hriC1 ALA 276 HB3 -0.03 -0.02 -0.04 -0.04 1.41 1.28 3hriC1 GLN 277 H -0.03 0.65 -0.25 -0.55 8.47 8.29 3hriC1 GLN 277 HA -0.01 0.01 0.43 -0.75 4.36 4.04 3hriC1 GLN 277 HB2 -0.01 0.04 0.10 -0.04 2.15 2.23 3hriC1 GLN 277 HB3 -0.01 0.05 0.13 -0.04 2.02 2.15 3hriC1 GLN 277 HG2 -0.00 0.03 0.12 -0.04 2.40 2.50 3hriC1 GLN 277 HG3 -0.00 -0.04 0.04 -0.04 2.39 2.35 3hriC1 GLN 277 HE21 -0.00 -0.01 -0.01 -0.04 6.97 6.91 3hriC1 GLN 277 HE22 -0.00 0.01 0.01 -0.04 7.69 7.66 3hriC1 ARG 278 H -0.01 0.11 -0.62 -0.55 8.46 7.39 3hriC1 ARG 278 HA -0.01 0.09 0.70 -0.75 4.34 4.38 3hriC1 ARG 278 HB2 -0.02 0.01 -0.37 -0.04 1.90 1.48 3hriC1 ARG 278 HB3 -0.02 -0.01 -0.19 -0.04 1.80 1.55 3hriC1 ARG 278 HG2 -0.00 0.10 -0.08 -0.04 1.67 1.65 3hriC1 ARG 278 HG3 -0.00 0.08 -0.08 -0.04 1.67 1.63 3hriC1 ARG 278 HD2 -0.01 0.00 -0.05 -0.04 3.22 3.13 3hriC1 ARG 278 HD3 -0.01 -0.01 0.04 -0.04 3.22 3.20 3hriC1 ILE 279 H -0.02 0.33 0.25 -0.55 8.25 8.25 3hriC1 ILE 279 HA -0.01 0.22 0.76 -0.75 4.18 4.38 3hriC1 GLY 280 H 0.00 0.26 0.30 -0.55 8.43 8.45 3hriC1 GLY 280 HA2 0.02 0.08 0.47 -0.51 4.01 4.07 3hriC1 GLY 280 HA3 0.05 0.10 0.73 -0.51 4.01 4.38 3hriC1 GLU 281 H 0.01 0.19 0.17 -0.55 8.60 8.42 3hriC1 GLU 281 HA 0.01 0.09 0.60 -0.75 4.29 4.23 3hriC1 GLU 281 HB2 0.00 0.04 0.06 -0.04 2.09 2.15 3hriC1 GLU 281 HB3 0.00 0.01 0.10 -0.04 1.99 2.06 3hriC1 GLU 281 HG2 0.01 0.04 0.01 -0.04 2.34 2.35 3hriC1 GLU 281 HG3 0.01 -0.14 0.07 -0.04 2.34 2.24 3hriC1 GLU 282 H 0.03 0.02 -0.10 -0.55 8.60 8.00 3hriC1 GLU 282 HA 0.02 0.14 0.43 -0.75 4.29 4.13 3hriC1 GLU 282 HB2 0.01 -0.02 0.05 -0.04 2.09 2.09 3hriC1 GLU 282 HB3 0.01 0.02 0.02 -0.04 1.99 1.99 3hriC1 GLU 282 HG2 -0.01 0.02 0.06 -0.04 2.34 2.36 3hriC1 GLU 282 HG3 -0.01 0.02 -0.00 -0.04 2.34 2.30 3hriC1 HIS 283 H 0.12 0.13 -0.39 -0.55 8.41 7.73 3hriC1 HIS 283 HA 0.00 0.06 0.20 -0.75 4.63 4.13 3hriC1 HIS 283 HB2 -0.00 0.37 0.13 -0.04 3.26 3.72 3hriC1 HIS 283 HB3 -0.00 -0.15 -0.05 -0.04 3.20 2.96 3hriC1 HIS 283 HD2 -0.00 0.14 0.09 -0.04 6.97 7.15 3hriC1 HIS 283 HE1 0.01 0.02 0.05 -0.04 7.75 7.79 3hriC1 GLU 284 H -0.11 0.19 0.17 -0.55 8.60 8.31 3hriC1 GLU 284 HA 0.05 0.11 0.46 -0.75 4.29 4.16 3hriC1 GLU 284 HB2 0.15 0.01 0.18 -0.04 2.09 2.38 3hriC1 GLU 284 HB3 0.10 -0.01 -0.01 -0.04 1.99 2.04 3hriC1 GLU 284 HG2 0.02 -0.01 0.07 -0.04 2.34 2.38 3hriC1 GLU 284 HG3 -0.03 0.05 0.11 -0.04 2.34 2.43 3hriC1 ALA 285 H 0.36 0.18 -0.22 -0.55 8.40 8.17 3hriC1 ALA 285 HA 0.06 -0.00 0.17 -0.75 4.34 3.81 3hriC1 ALA 285 HB3 -0.05 0.03 -0.10 -0.04 1.41 1.24 3hriC1 VAL 286 H 0.07 0.31 -0.43 -0.55 8.24 7.64 3hriC1 VAL 286 HA -0.00 -0.03 0.49 -0.75 4.13 3.84 3hriC1 VAL 286 HB -0.03 -0.07 0.03 -0.04 2.12 2.02 3hriC1 VAL 286 HG13 -0.04 -0.02 -0.15 -0.04 0.97 0.71 3hriC1 VAL 286 HG23 0.04 0.16 -0.08 -0.04 0.95 1.03 3hriC1 ARG 287 H 0.06 0.58 -0.09 -0.55 8.46 8.46 3hriC1 ARG 287 HA 0.03 0.05 0.53 -0.75 4.34 4.20 3hriC1 GLU 288 H 0.05 0.64 -0.20 -0.55 8.60 8.54 3hriC1 GLU 288 HA 0.07 0.01 0.42 -0.75 4.29 4.04 3hriC1 GLU 288 HB2 0.05 0.21 0.14 -0.04 2.09 2.45 3hriC1 GLU 288 HB3 0.05 -0.07 -0.01 -0.04 1.99 1.92 3hriC1 GLU 288 HG2 0.05 -0.06 0.03 -0.04 2.34 2.32 3hriC1 GLU 288 HG3 0.05 0.10 -0.02 -0.04 2.34 2.43 3hriC1 LEU 289 H 0.05 0.53 0.05 -0.55 8.37 8.45 3hriC1 LEU 289 HA 0.10 -0.00 0.33 -0.75 4.35 4.02 3hriC1 LEU 289 HB2 0.01 0.06 0.18 -0.04 1.64 1.85 3hriC1 LEU 289 HB3 0.04 -0.04 0.01 -0.04 1.64 1.60 3hriC1 LEU 289 HG 0.04 -0.00 0.05 -0.04 1.64 1.69 3hriC1 LEU 289 HD13 0.05 -0.01 -0.11 -0.04 0.93 0.82 3hriC1 LEU 289 HD23 0.12 -0.00 -0.11 -0.04 0.89 0.85 3hriC1 ARG 290 H 0.05 0.68 -0.30 -0.55 8.46 8.33 3hriC1 ARG 290 HA 0.06 -0.02 0.47 -0.75 4.34 4.10 3hriC1 ARG 290 HB2 0.03 0.19 0.14 -0.04 1.90 2.21 3hriC1 ARG 290 HB3 0.03 -0.04 0.06 -0.04 1.80 1.80 3hriC1 ARG 290 HG2 0.01 -0.09 0.01 -0.04 1.67 1.56 3hriC1 ARG 290 HG3 -0.00 0.00 0.04 -0.04 1.67 1.67 3hriC1 ARG 290 HD2 0.01 0.11 -0.03 -0.04 3.22 3.26 3hriC1 ARG 290 HD3 0.01 -0.02 -0.01 -0.04 3.22 3.16 3hriC1 ASP 291 H 0.08 0.45 -0.26 -0.55 8.40 8.12 3hriC1 ASP 291 HA 0.04 0.05 0.61 -0.75 4.63 4.58 3hriC1 ASP 291 HB2 0.05 0.23 0.19 -0.04 2.71 3.14 3hriC1 ASP 291 HB3 0.08 -0.03 0.10 -0.04 2.70 2.81 3hriC1 PHE 292 H 0.22 0.55 -0.12 -0.55 8.34 8.43 3hriC1 PHE 292 HA 0.02 0.03 0.41 -0.75 4.62 4.33 3hriC1 PHE 292 HB2 0.03 -0.04 0.04 -0.04 3.15 3.14 3hriC1 PHE 292 HB3 0.04 0.09 0.17 -0.04 3.06 3.33 3hriC1 PHE 292 HD2 0.02 0.01 -0.16 -0.04 7.28 7.11 3hriC1 PHE 292 HE2 -0.05 0.05 -0.41 -0.04 7.38 6.93 3hriC1 PHE 292 HZ -0.14 0.02 -0.15 -0.04 7.32 7.01 3hriC1 ILE 293 H 0.29 0.61 0.07 -0.55 8.25 8.67 3hriC1 ILE 293 HA 0.10 0.03 0.41 -0.75 4.18 3.96 3hriC1 ILE 293 HB 0.09 0.01 -0.04 -0.04 1.89 1.92 3hriC1 ILE 293 HG12 0.10 -0.05 0.03 -0.04 1.49 1.53 3hriC1 ILE 293 HG13 0.11 -0.00 0.20 -0.04 1.21 1.48 3hriC1 ILE 293 HG23 0.21 0.00 0.03 -0.04 0.93 1.13 3hriC1 ILE 293 HD13 0.05 -0.02 0.06 -0.04 0.88 0.93 3hriC1 THR 294 H 0.04 0.41 -0.29 -0.55 8.28 7.89 3hriC1 THR 294 HA 0.02 0.00 0.29 -0.75 4.39 3.95 3hriC1 THR 294 HB 0.01 0.05 0.13 -0.04 4.32 4.47 3hriC1 THR 294 HG23 0.01 -0.01 -0.02 -0.04 1.22 1.15 3hriC1 GLN 295 H -0.04 0.50 -0.22 -0.55 8.47 8.15 3hriC1 GLN 295 HA -0.03 0.02 0.49 -0.75 4.36 4.09 3hriC1 GLN 295 HB2 -0.14 0.13 0.21 -0.04 2.15 2.31 3hriC1 GLN 295 HB3 -0.09 -0.06 -0.03 -0.04 2.02 1.80 3hriC1 GLN 295 HG2 -0.01 -0.03 0.04 -0.04 2.40 2.35 3hriC1 GLN 295 HG3 -0.01 0.16 0.11 -0.04 2.39 2.61 3hriC1 GLN 295 HE21 0.03 -0.21 -0.21 -0.04 6.97 6.54 3hriC1 GLN 295 HE22 0.02 0.11 -0.12 -0.04 7.69 7.66 3hriC1 ILE 296 H -0.28 0.79 -0.00 -0.55 8.25 8.21 3hriC1 ILE 296 HA -0.10 0.01 0.41 -0.75 4.18 3.74 3hriC1 ILE 296 HB -0.30 0.10 0.13 -0.04 1.89 1.78 3hriC1 ILE 296 HG12 -1.00 -0.00 0.00 -0.04 1.49 0.45 3hriC1 ILE 296 HG13 -0.72 -0.05 -0.09 -0.04 1.21 0.31 3hriC1 ILE 296 HG23 0.08 -0.04 -0.32 -0.04 0.93 0.61 3hriC1 ILE 296 HD13 -0.12 0.01 -0.02 -0.04 0.88 0.70 3hriC1 GLU 297 H -0.01 0.85 -0.12 -0.55 8.60 8.78 3hriC1 GLU 297 HA 0.06 -0.16 0.55 -0.75 4.29 3.98 3hriC1 GLU 297 HB2 0.02 0.15 0.14 -0.04 2.09 2.36 3hriC1 GLU 297 HB3 0.03 -0.00 -0.02 -0.04 1.99 1.95 3hriC1 GLU 297 HG2 0.07 -0.08 0.06 -0.04 2.34 2.34 3hriC1 GLU 297 HG3 0.07 -0.01 0.03 -0.04 2.34 2.39 3hriC1 ALA 298 H -0.00 0.51 -0.13 -0.55 8.40 8.23 3hriC1 ALA 298 HA -0.02 -0.01 0.35 -0.75 4.34 3.91 3hriC1 ALA 298 HB3 -0.00 0.03 0.15 -0.04 1.41 1.54 3hriC1 TYR 299 H 0.08 0.48 -0.12 -0.55 8.29 8.17 3hriC1 TYR 299 HA -0.10 0.04 0.40 -0.75 4.56 4.15 3hriC1 TYR 299 HB2 -0.07 -0.01 0.05 -0.04 3.06 2.99 3hriC1 TYR 299 HB3 -0.06 -0.04 0.04 -0.04 2.98 2.88 3hriC1 TYR 299 HD2 -0.16 -0.03 -0.14 -0.04 7.15 6.78 3hriC1 TYR 299 HE2 -0.04 0.01 -0.06 -0.04 6.85 6.71 3hriC1 GLY 300 H 0.01 0.26 -0.34 -0.55 8.43 7.81 3hriC1 GLY 300 HA2 -0.07 0.08 0.30 -0.51 4.01 3.81 3hriC1 GLY 300 HA3 -0.26 0.18 0.74 -0.51 4.01 4.16 3hriC1 PHE 301 H 0.09 0.46 0.10 -0.55 8.34 8.43 3hriC1 PHE 301 HA 0.03 0.19 0.80 -0.75 4.62 4.88 3hriC1 PHE 301 HB2 -0.06 0.03 0.05 -0.04 3.15 3.13 3hriC1 PHE 301 HB3 -0.15 -0.09 0.15 -0.04 3.06 2.92 3hriC1 PHE 301 HD2 -0.66 -0.05 -0.01 -0.04 7.28 6.51 3hriC1 PHE 301 HE2 -0.25 0.03 -0.08 -0.04 7.38 7.04 3hriC1 PHE 301 HZ -0.18 0.02 -0.15 -0.04 7.32 6.97 3hriC1 GLY 302 H 0.16 0.21 -0.16 -0.55 8.43 8.10 3hriC1 GLY 302 HA2 0.16 0.05 0.35 -0.51 4.01 4.06 3hriC1 GLY 302 HA3 0.14 0.06 0.30 -0.51 4.01 4.00 3hriC1 ASP 303 H 0.29 0.11 -0.12 -0.55 8.40 8.14 3hriC1 ASP 303 HA 0.13 0.12 0.38 -0.75 4.63 4.51 3hriC1 ASP 303 HB2 0.23 -0.02 0.02 -0.04 2.71 2.90 3hriC1 ASP 303 HB3 0.03 0.05 0.07 -0.04 2.70 2.81 3hriC1 TRP 304 H 0.61 0.14 -0.73 -0.55 7.97 7.44 3hriC1 TRP 304 HA 0.06 0.19 0.63 -0.75 4.62 4.76 3hriC1 TRP 304 HB2 0.11 0.17 0.07 -0.04 3.23 3.54 3hriC1 TRP 304 HB3 -0.00 -0.09 -0.04 -0.04 3.23 3.06 3hriC1 TRP 304 HD1 0.25 -0.16 -0.14 -0.04 7.22 7.14 3hriC1 TRP 304 HE1 0.27 0.01 -0.01 -0.04 10.20 10.43 3hriC1 TRP 304 HE3 -0.10 -0.06 -0.19 -0.04 7.59 7.20 3hriC1 TRP 304 HZ2 0.16 0.02 -0.05 -0.04 7.44 7.54 3hriC1 TRP 304 HZ3 -0.05 -0.06 -0.19 -0.04 7.13 6.79 3hriC1 TRP 304 HH2 0.03 0.22 -0.31 -0.04 7.19 7.09 3hriC1 VAL 305 H 0.31 0.25 0.00 -0.55 8.24 8.25 3hriC1 VAL 305 HA 0.25 0.20 0.53 -0.75 4.13 4.35 3hriC1 VAL 305 HB 0.28 -0.07 -0.03 -0.04 2.12 2.27 3hriC1 VAL 305 HG13 0.24 0.02 -0.05 -0.04 0.97 1.15 3hriC1 VAL 305 HG23 0.23 0.01 -0.03 -0.04 0.95 1.11 3hriC1 ILE 306 H 0.18 0.57 0.43 -0.55 8.25 8.88 3hriC1 ILE 306 HA 0.16 0.08 0.84 -0.75 4.18 4.50 3hriC1 ILE 306 HB 0.19 0.11 -0.21 -0.04 1.89 1.94 3hriC1 ILE 306 HG12 0.10 0.10 0.01 -0.04 1.49 1.66 3hriC1 ILE 306 HG13 0.12 -0.01 0.10 -0.04 1.21 1.38 3hriC1 ILE 306 HG23 0.09 0.02 -0.12 -0.04 0.93 0.88 3hriC1 ILE 306 HD13 0.10 -0.01 -0.04 -0.04 0.88 0.90 3hriC1 PHE 307 H 0.24 0.12 0.19 -0.55 8.34 8.34 3hriC1 PHE 307 HA 0.01 0.09 0.79 -0.75 4.62 4.75 3hriC1 PHE 307 HB2 0.03 -0.06 0.08 -0.04 3.15 3.17 3hriC1 PHE 307 HB3 0.02 0.00 0.13 -0.04 3.06 3.18 3hriC1 PHE 307 HD2 -0.01 0.03 -0.44 -0.04 7.28 6.82 3hriC1 PHE 307 HE2 -0.02 -0.01 -0.24 -0.04 7.38 7.07 3hriC1 PHE 307 HZ -0.02 0.03 -0.12 -0.04 7.32 7.17 3hriC1 ASP 308 H -0.85 0.71 0.27 -0.55 8.40 7.98 3hriC1 ASP 308 HA -0.34 0.17 0.70 -0.75 4.63 4.41 3hriC1 ASP 308 HB2 -0.22 0.10 -0.22 -0.04 2.71 2.33 3hriC1 ASP 308 HB3 -0.29 -0.08 0.05 -0.04 2.70 2.34 3hriC1 ALA 309 H -0.35 0.42 0.09 -0.55 8.40 8.02 3hriC1 ALA 309 HA -0.31 -0.12 0.28 -0.75 4.34 3.44 3hriC1 ALA 309 HB3 0.06 0.03 -0.04 -0.04 1.41 1.43 3hriC1 SER 310 H -0.15 0.06 -0.40 -0.55 8.46 7.42 3hriC1 SER 310 HA -0.06 0.07 0.50 -0.75 4.49 4.25 3hriC1 SER 310 HB2 -0.05 -0.05 0.05 -0.04 3.95 3.85 3hriC1 SER 310 HB3 -0.06 0.20 -0.03 -0.04 3.93 4.00 3hriC1 VAL 311 H -0.17 0.45 -0.33 -0.55 8.24 7.64 3hriC1 VAL 311 HA -0.09 0.03 0.64 -0.75 4.13 3.95 3hriC1 VAL 311 HB -0.16 0.04 -0.02 -0.04 2.12 1.93 3hriC1 VAL 311 HG13 -0.10 -0.03 -0.25 -0.04 0.97 0.55 3hriC1 VAL 311 HG23 -0.16 0.02 -0.10 -0.04 0.95 0.66 3hriC1 VAL 312 H -0.04 0.26 0.08 -0.55 8.24 7.99 3hriC1 VAL 312 HA 0.01 0.17 0.69 -0.75 4.13 4.23 3hriC1 VAL 312 HB -0.01 -0.13 -0.00 -0.04 2.12 1.93 3hriC1 VAL 312 HG13 -0.01 0.01 -0.34 -0.04 0.97 0.59 3hriC1 VAL 312 HG23 -0.03 0.09 -0.18 -0.04 0.95 0.79 3hriC1 ARG 313 H 0.00 0.10 -0.13 -0.55 8.46 7.88 3hriC1 ARG 313 HA 0.02 0.06 0.26 -0.75 4.34 3.92 3hriC1 ARG 313 HB2 0.00 0.00 0.10 -0.04 1.90 1.97 3hriC1 ARG 313 HB3 0.05 0.02 0.11 -0.04 1.80 1.94 3hriC1 ARG 313 HG2 0.03 -0.01 -0.04 -0.04 1.67 1.61 3hriC1 ARG 313 HG3 0.03 0.02 -0.15 -0.04 1.67 1.53 3hriC1 ARG 313 HD2 -0.00 -0.01 0.02 -0.04 3.22 3.18 3hriC1 ARG 313 HD3 -0.00 -0.01 -0.01 -0.04 3.22 3.16 3hriC1 GLY 314 H 0.02 0.17 0.27 -0.55 8.43 8.35 3hriC1 GLY 314 HA2 0.01 -0.01 0.37 -0.51 4.01 3.88 3hriC1 GLY 314 HA3 0.02 0.08 0.42 -0.51 4.01 4.02 3hriC1 LEU 315 H 0.06 0.36 -0.06 -0.55 8.37 8.19 3hriC1 LEU 315 HA 0.27 0.11 0.46 -0.75 4.35 4.42 3hriC1 LEU 315 HB2 0.08 0.01 -0.15 -0.04 1.64 1.54 3hriC1 LEU 315 HB3 0.06 0.02 0.01 -0.04 1.64 1.69 3hriC1 LEU 315 HG 0.11 -0.02 0.04 -0.04 1.64 1.72 3hriC1 LEU 315 HD13 0.04 -0.01 -0.07 -0.04 0.93 0.85 3hriC1 LEU 315 HD23 0.08 -0.01 -0.04 -0.04 0.89 0.88 3hriC1 ALA 316 H 0.04 0.05 -0.22 -0.55 8.40 7.72 3hriC1 ALA 316 HA 0.05 0.13 0.55 -0.75 4.34 4.31 3hriC1 ALA 316 HB3 0.01 -0.00 -0.04 -0.04 1.41 1.34 3hriC1 TYR 317 H 0.09 0.09 -0.53 -0.55 8.29 7.39 3hriC1 TYR 317 HA -0.08 0.18 0.58 -0.75 4.56 4.48 3hriC1 TYR 317 HB2 -0.13 0.05 -0.06 -0.04 3.06 2.87 3hriC1 TYR 317 HB3 -0.20 -0.04 -0.02 -0.04 2.98 2.68 3hriC1 TYR 317 HD2 -0.47 0.12 -0.07 -0.04 7.15 6.69 3hriC1 TYR 317 HE2 -0.28 -0.01 -0.09 -0.04 6.85 6.43 3hriC1 TYR 318 H 0.06 0.04 -0.30 -0.55 8.29 7.55 3hriC1 TYR 318 HA -0.08 0.11 0.72 -0.75 4.56 4.56 3hriC1 TYR 318 HB2 0.01 0.02 -0.02 -0.04 3.06 3.03 3hriC1 TYR 318 HB3 -0.03 -0.12 -0.04 -0.04 2.98 2.74 3hriC1 TYR 318 HD2 -0.00 0.00 -0.33 -0.04 7.15 6.78 3hriC1 TYR 318 HE2 0.11 0.10 -0.13 -0.04 6.85 6.88 3hriC1 THR 319 H 0.13 0.42 0.32 -0.55 8.28 8.60 3hriC1 THR 319 HA 0.06 0.28 0.93 -0.75 4.39 4.90 3hriC1 THR 319 HB 0.05 -0.11 0.12 -0.04 4.32 4.34 3hriC1 THR 319 HG23 0.03 -0.01 -0.18 -0.04 1.22 1.02 3hriC1 GLY 320 H 0.02 0.25 0.23 -0.55 8.43 8.39 3hriC1 GLY 320 HA2 0.02 0.17 0.79 -0.51 4.01 4.48 3hriC1 GLY 320 HA3 0.00 -0.04 0.49 -0.51 4.01 3.95 3hriC1 ILE 321 H -0.03 0.09 0.26 -0.55 8.25 8.03 3hriC1 ILE 321 HA -0.06 0.16 0.90 -0.75 4.18 4.42 3hriC1 ILE 321 HB -0.05 -0.11 0.19 -0.04 1.89 1.87 3hriC1 ILE 321 HG12 -0.08 0.08 0.09 -0.04 1.49 1.54 3hriC1 ILE 321 HG13 -0.03 -0.13 0.13 -0.04 1.21 1.14 3hriC1 ILE 321 HG23 -0.19 0.08 0.01 -0.04 0.93 0.79 3hriC1 ILE 321 HD13 -0.13 -0.01 -0.01 -0.04 0.88 0.69 3hriC1 VAL 322 H -0.12 0.28 0.19 -0.55 8.24 8.03 3hriC1 VAL 322 HA -0.51 0.15 1.02 -0.75 4.13 4.03 3hriC1 VAL 322 HB -0.47 0.16 0.13 -0.04 2.12 1.90 3hriC1 VAL 322 HG13 -0.36 -0.02 -0.17 -0.04 0.97 0.39 3hriC1 VAL 322 HG23 -0.12 -0.02 -0.19 -0.04 0.95 0.58 3hriC1 PHE 323 H -0.69 0.82 0.41 -0.55 8.34 8.33 3hriC1 PHE 323 HA -0.14 0.33 0.62 -0.75 4.62 4.67 3hriC1 PHE 323 HB2 -0.08 -0.01 0.03 -0.04 3.15 3.05 3hriC1 PHE 323 HB3 -0.16 0.03 0.02 -0.04 3.06 2.90 3hriC1 PHE 323 HD2 -0.15 -0.01 -0.39 -0.04 7.28 6.69 3hriC1 PHE 323 HE2 -0.15 -0.03 -0.24 -0.04 7.38 6.92 3hriC1 PHE 323 HZ 0.16 0.02 -0.30 -0.04 7.32 7.15 3hriC1 GLU 324 H 0.11 0.41 0.29 -0.55 8.60 8.87 3hriC1 GLU 324 HA 0.00 0.22 0.99 -0.75 4.29 4.75 3hriC1 GLU 324 HB2 -0.06 0.00 -0.19 -0.04 2.09 1.80 3hriC1 GLU 324 HB3 -0.05 -0.04 0.08 -0.04 1.99 1.94 3hriC1 GLU 324 HG2 0.01 0.12 -0.05 -0.04 2.34 2.38 3hriC1 GLU 324 HG3 -0.01 0.08 0.20 -0.04 2.34 2.57 3hriC1 GLY 325 H 0.03 0.64 0.40 -0.55 8.43 8.95 3hriC1 GLY 325 HA2 0.20 0.26 0.90 -0.51 4.01 4.85 3hriC1 GLY 325 HA3 0.03 -0.09 0.48 -0.51 4.01 3.92 3hriC1 PHE 326 H 0.17 0.66 0.38 -0.55 8.34 9.00 3hriC1 PHE 326 HA 0.02 -0.01 0.48 -0.75 4.62 4.36 3hriC1 PHE 326 HB2 0.02 0.07 0.04 -0.04 3.15 3.24 3hriC1 PHE 326 HB3 0.01 0.07 -0.28 -0.04 3.06 2.81 3hriC1 PHE 326 HD2 0.02 0.06 -0.23 -0.04 7.28 7.09 3hriC1 PHE 326 HE2 0.02 0.02 -0.31 -0.04 7.38 7.07 3hriC1 PHE 326 HZ 0.01 0.06 -0.17 -0.04 7.32 7.18 3hriC1 ASP 327 H 0.11 0.19 0.14 -0.55 8.40 8.29 3hriC1 ASP 327 HA -0.18 0.22 0.84 -0.75 4.63 4.75 3hriC1 ASP 327 HB2 0.09 0.06 0.12 -0.04 2.71 2.94 3hriC1 ASP 327 HB3 0.17 0.02 0.11 -0.04 2.70 2.96 3hriC1 ARG 328 H -0.21 0.77 0.31 -0.55 8.46 8.77 3hriC1 ARG 328 HA -0.11 0.10 0.22 -0.75 4.34 3.79 3hriC1 ARG 328 HB2 -0.12 0.10 0.02 -0.04 1.90 1.86 3hriC1 ARG 328 HB3 -0.07 -0.02 -0.00 -0.04 1.80 1.67 3hriC1 ARG 328 HG2 -0.55 -0.10 -0.35 -0.04 1.67 0.62 3hriC1 ARG 328 HG3 -0.30 0.01 -0.83 -0.04 1.67 0.51 3hriC1 ARG 328 HD2 -0.26 0.31 -0.35 -0.04 3.22 2.88 3hriC1 ARG 328 HD3 -0.14 -0.03 -0.11 -0.04 3.22 2.91 3hriC1 ASP 329 H -0.03 0.06 -0.08 -0.55 8.40 7.80 3hriC1 ASP 329 HA -0.01 0.15 0.47 -0.75 4.63 4.48 3hriC1 ASP 329 HB2 -0.02 -0.11 0.01 -0.04 2.71 2.55 3hriC1 ASP 329 HB3 -0.03 0.04 0.07 -0.04 2.70 2.73 3hriC1 GLY 330 H 0.04 0.20 -0.55 -0.55 8.43 7.57 3hriC1 GLY 330 HA2 0.08 0.09 0.18 -0.51 4.01 3.85 3hriC1 GLY 330 HA3 0.02 0.10 0.18 -0.51 4.01 3.80 3hriC1 ASN 331 H -0.09 -0.09 -0.19 -0.55 8.53 7.61 3hriC1 ASN 331 HA -0.21 0.21 0.59 -0.75 4.76 4.60 3hriC1 ASN 331 HB2 -0.69 -0.11 0.04 -0.04 2.88 2.08 3hriC1 ASN 331 HB3 -0.75 0.01 -0.03 -0.04 2.79 1.98 3hriC1 ASN 331 HD21 -0.09 0.04 -0.05 -0.04 7.03 6.89 3hriC1 ASN 331 HD22 -0.15 -0.06 -0.05 -0.04 7.74 7.44 3hriC1 PHE 332 H -0.01 -0.03 0.04 -0.55 8.34 7.79 3hriC1 PHE 332 HA 0.01 0.18 0.66 -0.75 4.62 4.71 3hriC1 PHE 332 HB2 0.02 -0.02 -0.01 -0.04 3.15 3.09 3hriC1 PHE 332 HB3 0.01 -0.01 0.04 -0.04 3.06 3.06 3hriC1 PHE 332 HD2 0.01 -0.01 -0.02 -0.04 7.28 7.22 3hriC1 PHE 332 HE2 0.01 0.02 -0.05 -0.04 7.38 7.31 3hriC1 PHE 332 HZ 0.01 0.05 -0.09 -0.04 7.32 7.24 3hriC1 ARG 333 H 0.18 0.06 0.10 -0.55 8.46 8.24 3hriC1 ARG 333 HA 0.06 0.13 0.44 -0.75 4.34 4.22 3hriC1 ALA 334 H 0.03 0.08 0.12 -0.55 8.40 8.08 3hriC1 ALA 334 HA 0.07 0.16 0.38 -0.75 4.34 4.20 3hriC1 ALA 334 HB3 0.00 0.01 0.08 -0.04 1.41 1.47 3hriC1 LEU 335 H 0.02 0.30 -0.07 -0.55 8.37 8.08 3hriC1 LEU 335 HA -0.12 -0.01 0.49 -0.75 4.35 3.96 3hriC1 LEU 335 HB2 -0.06 -0.12 -0.01 -0.04 1.64 1.41 3hriC1 LEU 335 HB3 -0.30 0.04 -0.05 -0.04 1.64 1.30 3hriC1 LEU 335 HG -0.03 -0.03 -0.09 -0.04 1.64 1.45 3hriC1 LEU 335 HD13 0.03 -0.00 -0.16 -0.04 0.93 0.75 3hriC1 LEU 335 HD23 0.03 0.01 -0.13 -0.04 0.89 0.75 3hriC1 CYS 336 H -0.13 0.06 0.24 -0.55 8.50 8.13 3hriC1 CYS 336 HA -0.18 0.28 1.03 -0.75 4.58 4.95 3hriC1 CYS 336 HB2 -0.05 0.05 -0.04 -0.04 2.97 2.88 3hriC1 CYS 336 HB3 -0.89 0.04 -0.07 -0.04 2.97 2.00 3hriC1 GLY 337 H 0.06 0.66 0.34 -0.55 8.43 8.94 3hriC1 GLY 337 HA2 -0.08 0.21 1.05 -0.51 4.01 4.68 3hriC1 GLY 337 HA3 0.00 0.02 0.37 -0.51 4.01 3.90 3hriC1 GLY 338 H -0.58 0.60 0.36 -0.55 8.43 8.27 3hriC1 GLY 338 HA2 0.01 0.11 0.73 -0.51 4.01 4.34 3hriC1 GLY 338 HA3 -0.33 0.06 0.64 -0.51 4.01 3.86 3hriC1 GLY 339 H -0.34 0.69 0.48 -0.55 8.43 8.71 3hriC1 GLY 339 HA2 -0.38 0.00 0.44 -0.51 4.01 3.56 3hriC1 GLY 339 HA3 -0.95 0.12 0.66 -0.51 4.01 3.32 3hriC1 ARG 340 H -0.18 0.51 0.35 -0.55 8.46 8.58 3hriC1 ARG 340 HA -0.28 0.23 1.01 -0.75 4.34 4.54 3hriC1 ARG 340 HB2 -0.04 0.03 0.17 -0.04 1.90 2.01 3hriC1 ARG 340 HB3 -0.05 -0.14 0.36 -0.04 1.80 1.94 3hriC1 ARG 340 HG2 -0.01 -0.23 -0.07 -0.04 1.67 1.33 3hriC1 ARG 340 HG3 -0.04 0.18 0.01 -0.04 1.67 1.77 3hriC1 ARG 340 HD2 0.00 -0.08 0.10 -0.04 3.22 3.19 3hriC1 ARG 340 HD3 0.01 -0.01 0.03 -0.04 3.22 3.21 3hriC1 TYR 341 H -0.49 0.61 0.30 -0.55 8.29 8.16 3hriC1 TYR 341 HA -0.04 0.08 0.96 -0.75 4.56 4.80 3hriC1 TYR 341 HB2 -0.24 -0.06 0.10 -0.04 3.06 2.82 3hriC1 TYR 341 HB3 -0.39 0.26 0.09 -0.04 2.98 2.90 3hriC1 TYR 341 HD2 -0.21 -0.01 -0.04 -0.04 7.15 6.85 3hriC1 TYR 341 HE2 0.11 0.00 -0.11 -0.04 6.85 6.82 3hriC1 ASP 342 H 0.04 0.15 -0.02 -0.55 8.40 8.02 3hriC1 ASP 342 HA 0.04 -0.02 0.28 -0.75 4.63 4.18 3hriC1 ASP 342 HB2 0.02 0.04 0.03 -0.04 2.71 2.76 3hriC1 ASP 342 HB3 0.02 0.06 -0.10 -0.04 2.70 2.64 3hriC1 ASN 343 H 0.03 0.10 -0.35 -0.55 8.53 7.77 3hriC1 ASN 343 HA 0.01 0.07 0.44 -0.75 4.76 4.53 3hriC1 ASN 343 HB2 -0.01 0.10 -0.05 -0.04 2.88 2.88 3hriC1 ASN 343 HB3 -0.01 0.04 0.07 -0.04 2.79 2.85 3hriC1 ASN 343 HD21 0.01 0.01 -0.05 -0.04 7.03 6.95 3hriC1 ASN 343 HD22 -0.00 0.08 -0.04 -0.04 7.74 7.73 3hriC1 LEU 344 H 0.06 0.50 -0.49 -0.55 8.37 7.90 3hriC1 LEU 344 HA -0.03 0.08 0.32 -0.75 4.35 3.96 3hriC1 LEU 344 HB2 -0.04 0.07 0.13 -0.04 1.64 1.75 3hriC1 LEU 344 HB3 0.06 -0.01 0.13 -0.04 1.64 1.79 3hriC1 LEU 344 HG 0.00 -0.00 -0.21 -0.04 1.64 1.38 3hriC1 LEU 344 HD13 -0.11 -0.00 -0.06 -0.04 0.93 0.72 3hriC1 LEU 344 HD23 -0.17 -0.00 -0.08 -0.04 0.89 0.60 3hriC1 LEU 345 H 0.04 0.21 -0.04 -0.55 8.37 8.03 3hriC1 LEU 345 HA 0.10 0.07 0.28 -0.75 4.35 4.04 3hriC1 LEU 345 HB2 0.00 -0.02 0.14 -0.04 1.64 1.73 3hriC1 LEU 345 HB3 0.00 0.03 0.00 -0.04 1.64 1.64 3hriC1 LEU 345 HG -0.02 0.04 0.09 -0.04 1.64 1.71 3hriC1 LEU 345 HD13 -0.07 0.02 -0.06 -0.04 0.93 0.78 3hriC1 LEU 345 HD23 -0.05 -0.01 -0.08 -0.04 0.89 0.71 3hriC1 THR 346 H 0.01 0.05 -0.29 -0.55 8.28 7.51 3hriC1 THR 346 HA 0.00 0.20 0.36 -0.75 4.39 4.20 3hriC1 THR 346 HB -0.01 0.06 -0.03 -0.04 4.32 4.30 3hriC1 THR 346 HG23 -0.00 0.03 -0.19 -0.04 1.22 1.01 3hriC1 THR 347 H -0.03 0.44 -0.33 -0.55 8.28 7.81 3hriC1 THR 347 HA -0.15 -0.00 0.36 -0.75 4.39 3.85 3hriC1 THR 347 HB -0.28 0.21 0.16 -0.04 4.32 4.38 3hriC1 THR 347 HG23 -0.70 -0.02 -0.15 -0.04 1.22 0.31 3hriC1 TYR 348 H 0.11 0.26 -0.29 -0.55 8.29 7.82 3hriC1 TYR 348 HA -0.04 0.13 0.57 -0.75 4.56 4.47 3hriC1 TYR 348 HB2 -0.05 0.01 0.03 -0.04 3.06 3.01 3hriC1 TYR 348 HB3 -0.05 -0.05 0.12 -0.04 2.98 2.95 3hriC1 TYR 348 HD2 -0.07 0.08 0.01 -0.04 7.15 7.13 3hriC1 TYR 348 HE2 -0.09 0.12 0.00 -0.04 6.85 6.85 3hriC1 GLY 349 H -0.00 0.49 -0.50 -0.55 8.43 7.88 3hriC1 GLY 349 HA2 -0.01 0.03 0.19 -0.51 4.01 3.71 3hriC1 GLY 349 HA3 0.01 0.07 0.57 -0.51 4.01 4.16 3hriC1 SER 350 H 0.03 0.40 -0.06 -0.55 8.46 8.28 3hriC1 SER 350 HA 0.00 0.07 0.35 -0.75 4.49 4.16 3hriC1 SER 350 HB2 0.01 0.03 -0.12 -0.04 3.95 3.83 3hriC1 SER 350 HB3 0.01 -0.17 -0.60 -0.04 3.93 3.13 3hriC1 PRO 351 HA -0.00 0.12 0.54 -0.51 4.44 4.59 3hriC1 PRO 351 HB2 -0.00 -0.01 -0.00 -0.04 2.28 2.22 3hriC1 PRO 351 HB3 -0.00 0.04 0.11 -0.04 2.02 2.13 3hriC1 PRO 351 HG2 -0.01 -0.02 0.09 -0.04 2.03 2.06 3hriC1 PRO 351 HG3 -0.00 0.05 0.09 -0.04 2.03 2.12 3hriC1 PRO 351 HD2 -0.01 0.05 0.20 -0.04 3.68 3.88 3hriC1 PRO 351 HD3 -0.00 0.23 0.23 -0.04 3.65 4.06 3hriC1 THR 352 H -0.01 0.15 -0.09 -0.55 8.28 7.78 3hriC1 THR 352 HA -0.01 0.14 0.79 -0.75 4.39 4.56 3hriC1 THR 352 HB -0.01 -0.01 -0.03 -0.04 4.32 4.23 3hriC1 THR 352 HG23 -0.01 -0.01 -0.01 -0.04 1.22 1.15 3hriC1 ALA 353 H -0.00 0.15 0.08 -0.55 8.40 8.08 3hriC1 ALA 353 HA 0.00 -0.02 0.48 -0.75 4.34 4.05 3hriC1 ALA 353 HB3 0.00 0.01 0.00 -0.04 1.41 1.39 3hriC1 VAL 354 H -0.00 0.16 0.40 -0.55 8.24 8.25 3hriC1 VAL 354 HA -0.01 0.21 0.93 -0.75 4.13 4.50 3hriC1 VAL 354 HB -0.03 -0.07 0.08 -0.04 2.12 2.06 3hriC1 VAL 354 HG13 -0.05 0.02 -0.22 -0.04 0.97 0.68 3hriC1 VAL 354 HG23 -0.03 0.08 -0.21 -0.04 0.95 0.75 3hriC1 PRO 355 HA 0.01 -0.02 0.62 -0.51 4.44 4.54 3hriC1 PRO 355 HB2 -0.01 0.08 -0.32 -0.04 2.28 1.99 3hriC1 PRO 355 HB3 0.00 0.03 -0.00 -0.04 2.02 2.01 3hriC1 PRO 355 HG2 -0.02 -0.17 -0.27 -0.04 2.03 1.53 3hriC1 PRO 355 HG3 -0.01 0.07 -0.15 -0.04 2.03 1.91 3hriC1 PRO 355 HD2 -0.02 0.15 0.12 -0.04 3.68 3.89 3hriC1 PRO 355 HD3 -0.01 0.19 0.15 -0.04 3.65 3.95 3hriC1 CYS 356 H 0.01 0.10 0.15 -0.55 8.50 8.21 3hriC1 CYS 356 HA -0.00 0.26 1.04 -0.75 4.58 5.12 3hriC1 CYS 356 HB2 0.25 0.11 0.13 -0.04 2.97 3.42 3hriC1 CYS 356 HB3 0.28 -0.00 -0.01 -0.04 2.97 3.19 3hriC1 VAL 357 H -0.04 0.70 0.40 -0.55 8.24 8.75 3hriC1 VAL 357 HA -0.44 0.18 0.76 -0.75 4.13 3.88 3hriC1 VAL 357 HB 0.03 0.00 -0.05 -0.04 2.12 2.07 3hriC1 VAL 357 HG13 0.05 -0.02 -0.31 -0.04 0.97 0.65 3hriC1 VAL 357 HG23 -0.03 -0.03 -0.14 -0.04 0.95 0.70 3hriC1 GLY 358 H -0.22 0.53 0.38 -0.55 8.43 8.57 3hriC1 GLY 358 HA2 0.04 0.12 0.58 -0.51 4.01 4.24 3hriC1 GLY 358 HA3 0.05 0.04 0.62 -0.51 4.01 4.21 3hriC1 PHE 359 H -0.39 0.61 0.42 -0.55 8.34 8.43 3hriC1 PHE 359 HA -0.00 0.14 0.84 -0.75 4.62 4.85 3hriC1 PHE 359 HB2 0.03 -0.05 -0.29 -0.04 3.15 2.81 3hriC1 PHE 359 HB3 0.15 -0.06 -0.25 -0.04 3.06 2.87 3hriC1 PHE 359 HD2 0.05 -0.06 -0.44 -0.04 7.28 6.79 3hriC1 PHE 359 HE2 -0.55 0.02 -0.12 -0.04 7.38 6.70 3hriC1 PHE 359 HZ -1.28 0.03 -0.20 -0.04 7.32 5.83 3hriC1 GLY 360 H 0.21 0.74 0.33 -0.55 8.43 9.16 3hriC1 GLY 360 HA2 0.05 0.30 0.96 -0.51 4.01 4.81 3hriC1 GLY 360 HA3 0.12 -0.02 0.35 -0.51 4.01 3.95 3hriC1 PHE 361 H 0.22 0.48 0.07 -0.55 8.34 8.56 3hriC1 PHE 361 HA 0.17 0.12 0.93 -0.75 4.62 5.09 3hriC1 PHE 361 HB2 0.35 0.01 -0.09 -0.04 3.15 3.38 3hriC1 PHE 361 HB3 0.22 -0.05 0.28 -0.04 3.06 3.47 3hriC1 PHE 361 HD2 0.24 0.07 -0.14 -0.04 7.28 7.41 3hriC1 PHE 361 HE2 0.20 -0.00 -0.06 -0.04 7.38 7.48 3hriC1 PHE 361 HZ 0.19 -0.01 -0.08 -0.04 7.32 7.38 3hriC1 GLY 362 H 0.07 0.22 0.16 -0.55 8.43 8.33 3hriC1 GLY 362 HA2 0.25 0.16 0.50 -0.51 4.01 4.42 3hriC1 GLY 362 HA3 0.10 -0.04 0.42 -0.51 4.01 3.98 3hriC1 ASP 363 H 0.29 0.36 0.32 -0.55 8.40 8.83 3hriC1 ASP 363 HA 0.41 0.22 0.80 -0.75 4.63 5.31 3hriC1 ASP 363 HB2 0.45 0.02 0.16 -0.04 2.71 3.30 3hriC1 ASP 363 HB3 0.50 0.06 -0.05 -0.04 2.70 3.18 3hriC1 CYS 364 H 0.13 0.01 -0.05 -0.55 8.50 8.05 3hriC1 CYS 364 HA 0.09 0.00 0.89 -0.75 4.58 4.81 3hriC1 CYS 364 HB2 0.03 0.00 0.16 -0.04 2.97 3.12 3hriC1 CYS 364 HB3 0.04 0.00 0.04 -0.04 2.97 3.01 3hriC1 VAL 365 H 0.02 0.16 0.08 -0.55 8.24 7.94 3hriC1 VAL 365 HA -0.07 0.10 0.31 -0.75 4.13 3.71 3hriC1 VAL 365 HB -0.04 0.08 0.09 -0.04 2.12 2.21 3hriC1 VAL 365 HG13 -0.04 0.05 -0.25 -0.04 0.97 0.69 3hriC1 VAL 365 HG23 -0.01 0.02 0.00 -0.04 0.95 0.92 3hriC1 ILE 366 H 0.06 0.13 -0.27 -0.55 8.25 7.62 3hriC1 ILE 366 HA 0.00 0.03 0.19 -0.75 4.18 3.65 3hriC1 ILE 366 HB 0.21 0.07 -0.21 -0.04 1.89 1.92 3hriC1 ILE 366 HG12 0.27 -0.22 -0.16 -0.04 1.49 1.34 3hriC1 ILE 366 HG13 0.71 0.15 -0.00 -0.04 1.21 2.02 3hriC1 ILE 366 HG23 0.36 0.01 -0.03 -0.04 0.93 1.22 3hriC1 ILE 366 HD13 -0.08 -0.04 0.01 -0.04 0.88 0.72 3hriC1 VAL 367 H 0.05 0.12 -0.57 -0.55 8.24 7.30 3hriC1 VAL 367 HA 0.02 0.08 0.46 -0.75 4.13 3.94 3hriC1 VAL 367 HB 0.03 0.12 0.16 -0.04 2.12 2.39 3hriC1 VAL 367 HG13 0.01 -0.00 -0.12 -0.04 0.97 0.82 3hriC1 VAL 367 HG23 0.09 0.01 0.03 -0.04 0.95 1.04 3hriC1 GLU 368 H -0.10 0.43 -0.03 -0.55 8.60 8.35 3hriC1 GLU 368 HA -0.09 0.02 0.30 -0.75 4.29 3.76 3hriC1 GLU 368 HB2 -0.53 0.14 0.18 -0.04 2.09 1.84 3hriC1 GLU 368 HB3 -0.35 -0.04 0.02 -0.04 1.99 1.59 3hriC1 GLU 368 HG2 -0.01 -0.01 0.06 -0.04 2.34 2.34 3hriC1 GLU 368 HG3 -0.06 0.10 0.07 -0.04 2.34 2.42 3hriC1 LEU 369 H -0.42 0.44 -0.38 -0.55 8.37 7.46 3hriC1 LEU 369 HA -0.32 -0.03 0.35 -0.75 4.35 3.59 3hriC1 LEU 369 HB2 -0.39 0.00 0.03 -0.04 1.64 1.24 3hriC1 LEU 369 HB3 -0.13 0.17 0.11 -0.04 1.64 1.76 3hriC1 LEU 369 HG 0.00 -0.01 -0.21 -0.04 1.64 1.38 3hriC1 LEU 369 HD13 0.19 -0.02 0.01 -0.04 0.93 1.07 3hriC1 LEU 369 HD23 0.01 0.01 -0.08 -0.04 0.89 0.78 3hriC1 LEU 370 H -0.05 0.66 0.05 -0.55 8.37 8.49 3hriC1 LEU 370 HA 0.02 -0.06 0.34 -0.75 4.35 3.90 3hriC1 LEU 370 HB2 0.02 0.08 0.12 -0.04 1.64 1.81 3hriC1 LEU 370 HB3 0.03 -0.03 -0.06 -0.04 1.64 1.54 3hriC1 LEU 370 HG 0.04 0.15 0.12 -0.04 1.64 1.91 3hriC1 LEU 370 HD13 0.08 -0.01 -0.06 -0.04 0.93 0.90 3hriC1 LEU 370 HD23 0.06 0.02 -0.02 -0.04 0.89 0.91 3hriC1 ASN 371 H -0.04 0.66 -0.46 -0.55 8.53 8.15 3hriC1 ASN 371 HA -0.00 -0.02 0.65 -0.75 4.76 4.64 3hriC1 ASN 371 HB2 -0.01 0.03 0.01 -0.04 2.88 2.87 3hriC1 ASN 371 HB3 0.01 0.16 0.13 -0.04 2.79 3.05 3hriC1 ASN 371 HD21 0.02 -0.02 -0.04 -0.04 7.03 6.94 3hriC1 ASN 371 HD22 0.04 0.02 -0.11 -0.04 7.74 7.65 3hriC1 GLU 372 H 0.04 0.56 0.14 -0.55 8.60 8.80 3hriC1 GLU 372 HA 0.08 0.05 0.44 -0.75 4.29 4.11 3hriC1 LYS 373 H 0.05 0.71 -0.08 -0.55 8.42 8.54 3hriC1 LYS 373 HA 0.03 0.06 0.33 -0.75 4.32 3.99 3hriC1 LYS 374 H 0.02 0.34 -1.00 -0.55 8.42 7.22 3hriC1 LYS 374 HA 0.00 0.23 0.17 -0.75 4.32 3.98 3hriC1 LYS 374 HB2 0.01 -0.09 0.11 -0.04 1.87 1.86 3hriC1 LYS 374 HB3 0.00 0.09 0.15 -0.04 1.79 1.99 3hriC1 LYS 374 HG2 0.01 0.08 0.08 -0.04 1.46 1.58 3hriC1 LYS 374 HG3 0.02 0.16 0.10 -0.04 1.46 1.69 3hriC1 LYS 374 HD2 0.01 -0.06 0.06 -0.04 1.69 1.66 3hriC1 LYS 374 HD3 0.01 0.01 0.05 -0.04 1.68 1.71 3hriC1 LYS 374 HE2 0.01 0.02 0.06 -0.04 2.99 3.04 3hriC1 LYS 374 HE3 0.01 0.04 0.08 -0.04 2.99 3.08 3hriC1 LEU 375 H 0.01 0.99 0.32 -0.55 8.37 9.14 3hriC1 LEU 375 HA 0.01 0.22 0.92 -0.75 4.35 4.74 3hriC1 LEU 375 HB2 0.03 -0.06 0.15 -0.04 1.64 1.72 3hriC1 LEU 375 HB3 0.04 0.26 0.22 -0.04 1.64 2.12 3hriC1 LEU 375 HG 0.02 -0.44 -0.19 -0.04 1.64 1.00 3hriC1 LEU 375 HD13 0.04 0.00 -0.15 -0.04 0.93 0.78 3hriC1 LEU 375 HD23 0.03 0.07 -0.01 -0.04 0.89 0.93 3hriC1 LEU 376 H -0.02 0.02 -0.00 -0.55 8.37 7.82 3hriC1 LEU 376 HA -0.07 0.11 0.48 -0.75 4.35 4.12 3hriC1 LEU 376 HB2 -0.04 -0.05 0.04 -0.04 1.64 1.54 3hriC1 LEU 376 HB3 -0.08 0.10 -0.03 -0.04 1.64 1.58 3hriC1 LEU 376 HG -0.01 -0.08 -0.37 -0.04 1.64 1.14 3hriC1 LEU 376 HD13 -0.02 -0.01 -0.05 -0.04 0.93 0.82 3hriC1 LEU 376 HD23 0.01 0.01 -0.02 -0.04 0.89 0.85 3hriC1 PRO 377 HA -0.17 0.12 0.51 -0.51 4.44 4.39 3hriC1 PRO 377 HB2 -0.35 0.03 -0.13 -0.04 2.28 1.79 3hriC1 PRO 377 HB3 -0.40 0.09 0.04 -0.04 2.02 1.71 3hriC1 PRO 377 HG2 -0.67 -0.04 0.04 -0.04 2.03 1.31 3hriC1 PRO 377 HG3 -2.28 0.06 0.06 -0.04 2.03 -0.17 3hriC1 PRO 377 HD2 -0.37 -0.00 0.22 -0.04 3.68 3.49 3hriC1 PRO 377 HD3 -0.50 0.23 0.26 -0.04 3.65 3.60 3hriC1 GLU 378 H -0.13 0.17 0.10 -0.55 8.60 8.20 3hriC1 GLU 378 HA -0.18 0.08 0.68 -0.75 4.29 4.11 3hriC1 GLU 378 HB2 -0.07 -0.02 0.21 -0.04 2.09 2.17 3hriC1 GLU 378 HB3 -0.11 0.03 0.04 -0.04 1.99 1.90 3hriC1 GLU 378 HG2 -0.06 0.03 -0.02 -0.04 2.34 2.24 3hriC1 GLU 378 HG3 -0.02 -0.01 0.03 -0.04 2.34 2.30 3hriC1 LEU 379 H -0.26 0.19 0.08 -0.55 8.37 7.84 3hriC1 LEU 379 HA -0.20 0.17 0.72 -0.75 4.35 4.29 3hriC1 LEU 379 HB2 -0.15 -0.02 -0.03 -0.04 1.64 1.40 3hriC1 LEU 379 HB3 -0.09 -0.01 -0.03 -0.04 1.64 1.48 3hriC1 LEU 379 HG -0.26 0.00 -0.31 -0.04 1.64 1.03 3hriC1 LEU 379 HD13 -0.11 -0.02 -0.13 -0.04 0.93 0.63 3hriC1 LEU 379 HD23 -0.11 0.02 -0.09 -0.04 0.89 0.67 3hriC1 HIS 380 H -0.01 0.24 0.11 -0.55 8.41 8.20 3hriC1 HIS 380 HA 0.02 0.09 0.77 -0.75 4.63 4.75 3hriC1 HIS 380 HB2 -0.01 -0.02 -0.06 -0.04 3.26 3.13 3hriC1 HIS 380 HB3 -0.01 0.12 -0.13 -0.04 3.20 3.14 3hriC1 HIS 380 HD2 -0.02 0.01 -0.16 -0.04 6.97 6.76 3hriC1 HIS 380 HE1 -0.01 -0.06 -0.06 -0.04 7.75 7.57 3hriC1 HIS 381 H 0.20 0.10 0.06 -0.55 8.41 8.23 3hriC1 HIS 381 HA 0.02 0.01 0.61 -0.75 4.63 4.51 3hriC1 HIS 381 HB2 0.02 -0.09 0.11 -0.04 3.26 3.27 3hriC1 HIS 381 HB3 0.03 0.04 0.18 -0.04 3.20 3.40 3hriC1 HIS 381 HD2 0.00 0.00 0.03 -0.04 6.97 6.96 3hriC1 HIS 381 HE1 0.01 -0.01 -0.09 -0.04 7.75 7.62 3hriC1 VAL 382 H -0.01 0.16 0.27 -0.55 8.24 8.11 3hriC1 VAL 382 HA -0.20 0.16 0.97 -0.75 4.13 4.30 3hriC1 VAL 382 HB -0.02 -0.05 0.07 -0.04 2.12 2.07 3hriC1 VAL 382 HG13 -0.05 0.01 -0.21 -0.04 0.97 0.68 3hriC1 VAL 382 HG23 0.01 0.09 -0.14 -0.04 0.95 0.86 3hriC1 VAL 383 H -0.18 0.20 -0.02 -0.55 8.24 7.70 3hriC1 VAL 383 HA -0.06 0.11 0.66 -0.75 4.13 4.08 3hriC1 VAL 383 HB -0.13 -0.04 -0.16 -0.04 2.12 1.75 3hriC1 VAL 383 HG13 -0.02 -0.05 -0.29 -0.04 0.97 0.57 3hriC1 VAL 383 HG23 -0.15 -0.00 -0.30 -0.04 0.95 0.46 3hriC1 ASP 384 H -0.02 0.32 0.23 -0.55 8.40 8.38 3hriC1 ASP 384 HA -0.02 0.04 0.35 -0.75 4.63 4.25 3hriC1 ASP 384 HB2 -0.00 0.12 0.12 -0.04 2.71 2.91 3hriC1 ASP 384 HB3 -0.00 -0.03 0.02 -0.04 2.70 2.64 3hriC1 ASP 385 H -0.01 0.32 0.19 -0.55 8.40 8.34 3hriC1 ASP 385 HA 0.00 0.41 0.99 -0.75 4.63 5.27 3hriC1 ASP 385 HB2 0.01 -0.12 0.00 -0.04 2.71 2.56 3hriC1 ASP 385 HB3 0.01 -0.02 -0.16 -0.04 2.70 2.49 3hriC1 LEU 386 H 0.00 0.59 0.37 -0.55 8.37 8.78 3hriC1 LEU 386 HA -0.01 0.16 0.74 -0.75 4.35 4.49 3hriC1 LEU 386 HB2 -0.05 0.05 0.02 -0.04 1.64 1.63 3hriC1 LEU 386 HB3 -0.01 -0.07 0.13 -0.04 1.64 1.65 3hriC1 LEU 386 HG 0.01 0.02 -0.40 -0.04 1.64 1.23 3hriC1 LEU 386 HD13 0.09 0.01 -0.33 -0.04 0.93 0.66 3hriC1 LEU 386 HD23 0.04 -0.01 -0.15 -0.04 0.89 0.72 3hriC1 VAL 387 H -0.02 0.89 0.35 -0.55 8.24 8.91 3hriC1 VAL 387 HA -0.01 0.19 0.92 -0.75 4.13 4.48 3hriC1 VAL 387 HB -0.05 -0.06 0.14 -0.04 2.12 2.11 3hriC1 VAL 387 HG13 -0.02 0.02 -0.13 -0.04 0.97 0.79 3hriC1 VAL 387 HG23 -0.00 0.02 -0.09 -0.04 0.95 0.83 3hriC1 ILE 388 H -0.03 0.80 0.23 -0.55 8.25 8.70 3hriC1 ILE 388 HA -0.08 0.17 0.92 -0.75 4.18 4.44 3hriC1 ILE 388 HB -0.11 -0.06 0.02 -0.04 1.89 1.69 3hriC1 ILE 388 HG12 -0.15 0.04 -0.25 -0.04 1.49 1.09 3hriC1 ILE 388 HG13 -0.14 0.04 -0.39 -0.04 1.21 0.67 3hriC1 ILE 388 HG23 -0.17 -0.02 -0.27 -0.04 0.93 0.42 3hriC1 ILE 388 HD13 -0.70 -0.00 -0.25 -0.04 0.88 -0.11 3hriC1 PRO 389 HA -0.02 0.09 0.83 -0.51 4.44 4.83 3hriC1 PRO 389 HB2 -0.05 0.04 -0.13 -0.04 2.28 2.10 3hriC1 PRO 389 HB3 -0.05 -0.00 -0.18 -0.04 2.02 1.74 3hriC1 PRO 389 HG2 -0.08 0.13 0.02 -0.04 2.03 2.06 3hriC1 PRO 389 HG3 -0.08 0.01 0.00 -0.04 2.03 1.93 3hriC1 PRO 389 HD2 -0.08 0.08 0.19 -0.04 3.68 3.82 3hriC1 PRO 389 HD3 -0.08 0.18 0.01 -0.04 3.65 3.72 3hriC1 PHE 390 H 0.13 0.58 0.35 -0.55 8.34 8.85 3hriC1 PHE 390 HA -0.04 0.00 0.41 -0.75 4.62 4.23 3hriC1 PHE 390 HB2 -0.03 0.10 0.24 -0.04 3.15 3.42 3hriC1 PHE 390 HB3 -0.05 -0.12 0.29 -0.04 3.06 3.14 3hriC1 PHE 390 HD2 -0.01 -0.01 0.01 -0.04 7.28 7.23 3hriC1 PHE 390 HE2 0.01 0.02 0.01 -0.04 7.38 7.38 3hriC1 PHE 390 HZ 0.01 0.03 0.02 -0.04 7.32 7.34 3hriC1 ASP 391 H 0.09 0.07 0.00 -0.55 8.40 8.01 3hriC1 ASP 391 HA -0.12 0.28 0.57 -0.75 4.63 4.60 3hriC1 ASP 391 HB2 -0.04 -0.07 0.21 -0.04 2.71 2.76 3hriC1 ASP 391 HB3 -0.13 0.14 -0.00 -0.04 2.70 2.67 3hriC1 GLU 392 H -0.04 0.20 0.16 -0.55 8.60 8.37 3hriC1 GLU 392 HA -0.04 0.19 0.39 -0.75 4.29 4.08 3hriC1 GLU 392 HB2 -0.03 -0.01 0.14 -0.04 2.09 2.15 3hriC1 GLU 392 HB3 -0.03 0.07 0.09 -0.04 1.99 2.07 3hriC1 GLU 392 HG2 -0.04 -0.04 0.06 -0.04 2.34 2.28 3hriC1 GLU 392 HG3 -0.03 0.04 0.05 -0.04 2.34 2.36 3hriC1 THR 393 H -0.00 0.05 -0.14 -0.55 8.28 7.63 3hriC1 THR 393 HA -0.01 0.16 0.48 -0.75 4.39 4.27 3hriC1 THR 393 HB 0.01 0.07 0.09 -0.04 4.32 4.45 3hriC1 THR 393 HG23 0.01 0.00 0.05 -0.04 1.22 1.24 3hriC1 MET 394 H -0.00 0.14 -0.38 -0.55 8.47 7.68 3hriC1 MET 394 HA 0.00 0.16 0.65 -0.75 4.52 4.58 3hriC1 MET 394 HB2 -0.01 0.00 0.19 -0.04 2.15 2.29 3hriC1 MET 394 HB3 -0.14 0.01 0.21 -0.04 2.03 2.07 3hriC1 MET 394 HG2 0.01 -0.09 0.00 -0.04 2.63 2.51 3hriC1 MET 394 HG3 0.01 0.02 0.13 -0.04 2.56 2.68 3hriC1 MET 394 HE3 -0.82 0.00 -0.15 -0.04 2.10 1.09 3hriC1 ARG 395 H -0.04 0.45 -0.51 -0.55 8.46 7.81 3hriC1 ARG 395 HA -0.08 0.03 0.47 -0.75 4.34 4.00 3hriC1 ARG 395 HB2 -0.05 0.01 0.18 -0.04 1.90 2.00 3hriC1 ARG 395 HB3 -0.06 0.09 0.17 -0.04 1.80 1.96 3hriC1 ARG 395 HG2 -0.07 -0.02 -0.13 -0.04 1.67 1.41 3hriC1 ARG 395 HG3 -0.08 -0.06 0.03 -0.04 1.67 1.52 3hriC1 ARG 395 HD2 -0.04 -0.02 0.04 -0.04 3.22 3.16 3hriC1 ARG 395 HD3 -0.05 0.00 0.01 -0.04 3.22 3.14 3hriC1 PRO 396 HA -0.14 0.06 0.28 -0.51 4.44 4.12 3hriC1 PRO 396 HB2 -0.49 0.04 -0.05 -0.04 2.28 1.74 3hriC1 PRO 396 HB3 -0.20 0.04 0.08 -0.04 2.02 1.90 3hriC1 PRO 396 HG2 -0.13 0.08 0.07 -0.04 2.03 2.01 3hriC1 PRO 396 HG3 -0.10 0.03 0.07 -0.04 2.03 1.99 3hriC1 PRO 396 HD2 -0.07 0.28 -0.05 -0.04 3.68 3.79 3hriC1 PRO 396 HD3 -0.07 0.14 0.14 -0.04 3.65 3.82 3hriC1 HIS 397 H -0.25 0.15 -0.58 -0.55 8.41 7.18 3hriC1 HIS 397 HA -0.33 0.13 0.66 -0.75 4.63 4.33 3hriC1 HIS 397 HB2 -0.97 0.02 0.07 -0.04 3.26 2.35 3hriC1 HIS 397 HB3 -2.60 0.04 0.01 -0.04 3.20 0.61 3hriC1 HIS 397 HD2 -0.40 -0.04 0.02 -0.04 6.97 6.51 3hriC1 HIS 397 HE1 0.07 0.03 -0.04 -0.04 7.75 7.76 3hriC1 ALA 398 H -0.16 0.52 0.11 -0.55 8.40 8.33 3hriC1 ALA 398 HA -0.04 -0.00 0.38 -0.75 4.34 3.92 3hriC1 ALA 398 HB3 -0.08 0.02 0.09 -0.04 1.41 1.40 3hriC1 LEU 399 H -0.09 0.73 -0.13 -0.55 8.37 8.34 3hriC1 LEU 399 HA -0.05 -0.00 0.40 -0.75 4.35 3.94 3hriC1 LEU 399 HB2 -0.08 0.08 0.01 -0.04 1.64 1.60 3hriC1 LEU 399 HB3 -0.04 -0.01 -0.06 -0.04 1.64 1.48 3hriC1 LEU 399 HG -0.08 0.05 -0.04 -0.04 1.64 1.53 3hriC1 LEU 399 HD13 -0.05 -0.01 -0.09 -0.04 0.93 0.74 3hriC1 LEU 399 HD23 -0.06 -0.01 -0.04 -0.04 0.89 0.74 3hriC1 SER 400 H -0.04 0.30 -0.29 -0.55 8.46 7.88 3hriC1 SER 400 HA 0.03 -0.03 0.30 -0.75 4.49 4.04 3hriC1 SER 400 HB2 0.12 -0.05 0.09 -0.04 3.95 4.07 3hriC1 SER 400 HB3 0.04 0.08 0.20 -0.04 3.93 4.22 3hriC1 ILE 401 H 0.08 0.53 -0.23 -0.55 8.25 8.08 3hriC1 ILE 401 HA 0.11 0.02 0.53 -0.75 4.18 4.08 3hriC1 ILE 401 HB 0.08 0.11 0.09 -0.04 1.89 2.13 3hriC1 ILE 401 HG12 0.22 -0.01 -0.04 -0.04 1.49 1.62 3hriC1 ILE 401 HG13 0.35 0.03 -0.07 -0.04 1.21 1.48 3hriC1 ILE 401 HG23 0.08 -0.02 -0.17 -0.04 0.93 0.77 3hriC1 ILE 401 HD13 0.33 -0.01 -0.12 -0.04 0.88 1.04 3hriC1 LEU 402 H 0.01 0.60 -0.09 -0.55 8.37 8.35 3hriC1 LEU 402 HA 0.01 -0.04 0.38 -0.75 4.35 3.94 3hriC1 LEU 402 HB2 -0.03 0.01 0.04 -0.04 1.64 1.62 3hriC1 LEU 402 HB3 -0.01 0.17 0.17 -0.04 1.64 1.92 3hriC1 LEU 402 HG -0.00 0.01 -0.23 -0.04 1.64 1.38 3hriC1 LEU 402 HD13 -0.01 0.01 -0.23 -0.04 0.93 0.65 3hriC1 LEU 402 HD23 -0.05 -0.01 -0.12 -0.04 0.89 0.67 3hriC1 ARG 403 H 0.02 0.55 -0.08 -0.55 8.46 8.39 3hriC1 ARG 403 HA 0.02 -0.00 0.36 -0.75 4.34 3.95 3hriC1 ARG 403 HB2 0.02 -0.03 0.06 -0.04 1.90 1.91 3hriC1 ARG 403 HB3 0.03 0.20 0.14 -0.04 1.80 2.12 3hriC1 ARG 403 HG2 0.02 -0.02 -0.03 -0.04 1.67 1.60 3hriC1 ARG 403 HG3 0.02 0.01 -0.22 -0.04 1.67 1.44 3hriC1 ARG 403 HD2 0.02 -0.01 0.01 -0.04 3.22 3.19 3hriC1 ARG 403 HD3 0.01 -0.02 -0.02 -0.04 3.22 3.15 3hriC1 ARG 404 H 0.04 0.44 -0.22 -0.55 8.46 8.17 3hriC1 ARG 404 HA 0.03 -0.01 0.27 -0.75 4.34 3.87 3hriC1 ARG 404 HB2 0.05 0.09 0.21 -0.04 1.90 2.22 3hriC1 ARG 404 HB3 0.04 -0.04 -0.06 -0.04 1.80 1.70 3hriC1 ARG 404 HG2 0.03 -0.03 0.03 -0.04 1.67 1.66 3hriC1 ARG 404 HG3 0.05 0.07 0.05 -0.04 1.67 1.80 3hriC1 ARG 404 HD2 0.04 -0.02 -0.00 -0.04 3.22 3.20 3hriC1 ARG 404 HD3 0.02 -0.01 -0.02 -0.04 3.22 3.17 3hriC1 LEU 405 H 0.03 0.68 -0.09 -0.55 8.37 8.45 3hriC1 LEU 405 HA 0.02 -0.02 0.31 -0.75 4.35 3.91 3hriC1 LEU 405 HB2 0.02 0.07 0.12 -0.04 1.64 1.81 3hriC1 LEU 405 HB3 0.02 -0.06 -0.13 -0.04 1.64 1.43 3hriC1 LEU 405 HG 0.03 0.12 -0.00 -0.04 1.64 1.75 3hriC1 LEU 405 HD13 0.02 -0.03 -0.17 -0.04 0.93 0.72 3hriC1 LEU 405 HD23 0.02 -0.02 -0.10 -0.04 0.89 0.76 3hriC1 ARG 406 H 0.02 0.55 -0.03 -0.55 8.46 8.45 3hriC1 ARG 406 HA 0.02 0.32 0.40 -0.75 4.34 4.32 3hriC1 ARG 406 HB2 0.02 0.11 0.13 -0.04 1.90 2.12 3hriC1 ARG 406 HB3 0.02 -0.07 0.03 -0.04 1.80 1.74 3hriC1 ARG 406 HG2 0.02 -0.03 0.12 -0.04 1.67 1.74 3hriC1 ARG 406 HG3 0.02 -0.06 0.07 -0.04 1.67 1.66 3hriC1 ARG 406 HD2 0.02 -0.01 -0.17 -0.04 3.22 3.01 3hriC1 ARG 406 HD3 0.02 -0.03 -0.03 -0.04 3.22 3.15 3hriC1 ASP 407 H 0.02 0.65 -0.27 -0.55 8.40 8.25 3hriC1 ASP 407 HA 0.01 -0.00 0.51 -0.75 4.63 4.39 3hriC1 ASP 407 HB2 0.02 0.07 0.07 -0.04 2.71 2.82 3hriC1 ASP 407 HB3 0.01 -0.08 0.01 -0.04 2.70 2.61 3hriC1 ALA 408 H 0.02 0.65 -0.05 -0.55 8.40 8.46 3hriC1 ALA 408 HA 0.01 0.06 0.64 -0.75 4.34 4.30 3hriC1 ALA 408 HB3 0.01 -0.03 0.14 -0.04 1.41 1.49 3hriC1 GLY 409 H 0.01 0.39 -0.60 -0.55 8.43 7.68 3hriC1 GLY 409 HA2 0.01 -0.00 0.27 -0.51 4.01 3.79 3hriC1 GLY 409 HA3 0.01 0.05 0.54 -0.51 4.01 4.11 3hriC1 ARG 410 H 0.01 0.24 -0.40 -0.55 8.46 7.77 3hriC1 ARG 410 HA 0.01 0.04 0.37 -0.75 4.34 4.01 3hriC1 ARG 410 HB2 0.01 0.00 -0.18 -0.04 1.90 1.69 3hriC1 ARG 410 HB3 0.01 -0.04 -0.17 -0.04 1.80 1.55 3hriC1 ARG 410 HG2 0.01 -0.01 -0.08 -0.04 1.67 1.55 3hriC1 ARG 410 HG3 0.01 0.11 -0.13 -0.04 1.67 1.62 3hriC1 ARG 410 HD2 0.01 0.01 -0.08 -0.04 3.22 3.12 3hriC1 ARG 410 HD3 0.01 -0.05 -0.08 -0.04 3.22 3.06 3hriC1 SER 411 H 0.01 0.11 0.16 -0.55 8.46 8.19 3hriC1 SER 411 HA 0.02 0.18 0.86 -0.75 4.49 4.80 3hriC1 SER 411 HB2 0.03 0.07 0.10 -0.04 3.95 4.10 3hriC1 SER 411 HB3 0.02 0.09 0.14 -0.04 3.93 4.14 3hriC1 ALA 412 H 0.02 0.25 0.15 -0.55 8.40 8.28 3hriC1 ALA 412 HA 0.01 0.19 1.01 -0.75 4.34 4.79 3hriC1 ALA 412 HB3 0.01 -0.01 -0.06 -0.04 1.41 1.31 3hriC1 ASP 413 H 0.00 0.46 0.31 -0.55 8.40 8.62 3hriC1 ASP 413 HA 0.04 0.10 0.61 -0.75 4.63 4.63 3hriC1 ASP 413 HB2 0.06 0.07 -0.21 -0.04 2.71 2.59 3hriC1 ASP 413 HB3 0.04 0.01 -0.02 -0.04 2.70 2.69 3hriC1 ILE 414 H -0.06 0.28 0.20 -0.55 8.25 8.12 3hriC1 ILE 414 HA -0.08 0.22 1.04 -0.75 4.18 4.60 3hriC1 ILE 414 HB -0.15 -0.01 -0.27 -0.04 1.89 1.42 3hriC1 ILE 414 HG12 -0.24 0.17 -0.10 -0.04 1.49 1.28 3hriC1 ILE 414 HG13 -0.13 0.01 -0.01 -0.04 1.21 1.04 3hriC1 ILE 414 HG23 -0.62 -0.01 -0.15 -0.04 0.93 0.11 3hriC1 ILE 414 HD13 -0.17 -0.02 -0.14 -0.04 0.88 0.51 3hriC1 VAL 415 H -0.10 0.43 0.23 -0.55 8.24 8.25 3hriC1 VAL 415 HA -0.04 0.02 0.67 -0.75 4.13 4.03 3hriC1 VAL 415 HB -0.09 -0.00 0.19 -0.04 2.12 2.18 3hriC1 VAL 415 HG13 -0.09 0.04 -0.11 -0.04 0.97 0.76 3hriC1 VAL 415 HG23 -0.00 0.07 0.05 -0.04 0.95 1.03 3hriC1 PHE 416 H 0.14 0.09 0.18 -0.55 8.34 8.20 3hriC1 PHE 416 HA -0.03 0.09 0.32 -0.75 4.62 4.24 3hriC1 PHE 416 HB2 -0.07 -0.08 0.19 -0.04 3.15 3.15 3hriC1 PHE 416 HB3 -0.04 -0.00 -0.02 -0.04 3.06 2.96 3hriC1 PHE 416 HD2 -0.02 -0.02 0.06 -0.04 7.28 7.27 3hriC1 PHE 416 HE2 0.04 -0.00 0.03 -0.04 7.38 7.41 3hriC1 PHE 416 HZ 0.03 0.00 0.02 -0.04 7.32 7.33 3hriC1 ASP 417 H 0.08 0.02 0.07 -0.55 8.40 8.03 3hriC1 ASP 417 HA 0.01 0.12 0.62 -0.75 4.63 4.63 3hriC1 ASP 417 HB2 -0.03 -0.01 -0.00 -0.04 2.71 2.63 3hriC1 ASP 417 HB3 -0.02 0.00 0.08 -0.04 2.70 2.72 3hriC1 LYS 418 H -0.03 0.09 0.10 -0.55 8.42 8.04 3hriC1 LYS 418 HA -0.05 0.08 0.42 -0.75 4.32 4.01 3hriC1 LYS 419 H -0.08 0.19 0.16 -0.55 8.42 8.14 3hriC1 LYS 419 HA -0.06 0.19 0.84 -0.75 4.32 4.54 3hriC1 LYS 419 HB2 -0.08 0.01 -0.07 -0.04 1.87 1.69 3hriC1 LYS 419 HB3 -0.06 -0.09 0.00 -0.04 1.79 1.60 3hriC1 LYS 419 HG2 -0.09 0.12 -0.39 -0.04 1.46 1.06 3hriC1 LYS 419 HG3 -0.11 0.00 -0.12 -0.04 1.46 1.19 3hriC1 LYS 419 HD2 -0.08 -0.04 -0.11 -0.04 1.69 1.43 3hriC1 LYS 419 HD3 -0.07 0.08 -0.10 -0.04 1.68 1.54 3hriC1 LYS 419 HE2 -0.17 -0.03 -0.15 -0.04 2.99 2.60 3hriC1 LYS 419 HE3 -0.29 0.02 -0.08 -0.04 2.99 2.60 3hriC1 LYS 420 H -0.05 0.15 0.15 -0.55 8.42 8.12 3hriC1 LYS 420 HA -0.09 0.26 0.88 -0.75 4.32 4.62 3hriC1 VAL 421 H -0.10 0.26 0.12 -0.55 8.24 7.97 3hriC1 VAL 421 HA -0.16 0.08 0.11 -0.75 4.13 3.40 3hriC1 VAL 421 HB 0.06 0.06 -0.01 -0.04 2.12 2.18 3hriC1 VAL 421 HG13 -0.11 0.03 0.07 -0.04 0.97 0.93 3hriC1 VAL 421 HG23 0.07 0.00 0.05 -0.04 0.95 1.03 3hriC1 VAL 422 H 0.07 0.09 -0.16 -0.55 8.24 7.70 3hriC1 VAL 422 HA 0.35 0.13 0.52 -0.75 4.13 4.38 3hriC1 VAL 422 HB 0.10 0.07 0.06 -0.04 2.12 2.31 3hriC1 VAL 422 HG13 0.10 0.01 0.02 -0.04 0.97 1.06 3hriC1 VAL 422 HG23 0.05 0.00 -0.08 -0.04 0.95 0.88 3hriC1 GLN 423 H 0.03 0.15 -0.01 -0.55 8.47 8.09 3hriC1 GLN 423 HA 0.05 0.06 0.54 -0.75 4.36 4.25 3hriC1 GLN 423 HB2 0.00 -0.05 0.20 -0.04 2.15 2.26 3hriC1 GLN 423 HB3 -0.02 0.01 0.21 -0.04 2.02 2.18 3hriC1 GLN 423 HG2 0.00 0.02 -0.07 -0.04 2.40 2.31 3hriC1 GLN 423 HG3 0.01 0.03 0.07 -0.04 2.39 2.46 3hriC1 GLN 423 HE21 -0.03 0.05 0.02 -0.04 6.97 6.97 3hriC1 GLN 423 HE22 -0.02 0.03 0.00 -0.04 7.69 7.66 3hriC1 ALA 424 H -0.04 0.38 -0.30 -0.55 8.40 7.89 3hriC1 ALA 424 HA 0.02 0.02 0.34 -0.75 4.34 3.96 3hriC1 ALA 424 HB3 -0.21 0.04 -0.06 -0.04 1.41 1.14 3hriC1 PHE 425 H 0.03 0.51 -0.18 -0.55 8.34 8.15 3hriC1 PHE 425 HA 0.03 0.02 0.39 -0.75 4.62 4.31 3hriC1 PHE 425 HB2 0.02 0.01 0.17 -0.04 3.15 3.31 3hriC1 PHE 425 HB3 0.02 -0.00 -0.00 -0.04 3.06 3.03 3hriC1 PHE 425 HD2 0.02 -0.04 -0.14 -0.04 7.28 7.08 3hriC1 PHE 425 HE2 0.03 -0.02 -0.08 -0.04 7.38 7.27 3hriC1 PHE 425 HZ 0.04 -0.03 -0.07 -0.04 7.32 7.23 3hriC1 ASN 426 H 0.14 0.50 -0.19 -0.55 8.53 8.43 3hriC1 ASN 426 HA 0.08 0.05 0.69 -0.75 4.76 4.82 3hriC1 ASN 426 HB2 0.09 0.12 0.26 -0.04 2.88 3.31 3hriC1 ASN 426 HB3 0.08 -0.03 -0.00 -0.04 2.79 2.80 3hriC1 ASN 426 HD21 0.04 -0.02 -0.00 -0.04 7.03 7.01 3hriC1 ASN 426 HD22 0.05 -0.00 0.01 -0.04 7.74 7.75 3hriC1 TYR 427 H 0.18 0.63 0.02 -0.55 8.29 8.57 3hriC1 TYR 427 HA 0.02 -0.01 0.17 -0.75 4.56 3.99 3hriC1 TYR 427 HB2 0.01 -0.03 0.05 -0.04 3.06 3.05 3hriC1 TYR 427 HB3 -0.01 0.08 0.10 -0.04 2.98 3.10 3hriC1 TYR 427 HD2 0.01 -0.00 -0.10 -0.04 7.15 7.02 3hriC1 TYR 427 HE2 0.06 0.02 -0.11 -0.04 6.85 6.78 3hriC1 ALA 428 H 0.05 0.46 -0.39 -0.55 8.40 7.97 3hriC1 ALA 428 HA -0.20 -0.01 0.29 -0.75 4.34 3.66 3hriC1 ALA 428 HB3 0.02 0.02 -0.02 -0.04 1.41 1.39 3hriC1 ASP 429 H 0.02 0.38 -0.17 -0.55 8.40 8.08 3hriC1 ASP 429 HA -0.03 0.01 0.46 -0.75 4.63 4.31 3hriC1 ASP 429 HB2 0.02 -0.00 0.15 -0.04 2.71 2.84 3hriC1 ASP 429 HB3 0.02 0.07 0.24 -0.04 2.70 2.99 3hriC1 ARG 430 H -0.01 0.55 -0.11 -0.55 8.46 8.34 3hriC1 ARG 430 HA -0.02 0.02 0.16 -0.75 4.34 3.74 3hriC1 ILE 431 H -0.13 0.20 -0.96 -0.55 8.25 6.81 3hriC1 ILE 431 HA -0.03 0.12 0.88 -0.75 4.18 4.40 3hriC1 ILE 431 HB -0.09 -0.09 0.05 -0.04 1.89 1.71 3hriC1 ILE 431 HG12 -0.66 -0.10 -0.16 -0.04 1.49 0.53 3hriC1 ILE 431 HG13 -0.28 0.24 0.02 -0.04 1.21 1.14 3hriC1 ILE 431 HG23 -0.45 0.05 -0.22 -0.04 0.93 0.27 3hriC1 ILE 431 HD13 -0.18 -0.03 -0.31 -0.04 0.88 0.32 3hriC1 GLY 432 H -0.12 0.36 0.11 -0.55 8.43 8.23 3hriC1 GLY 432 HA2 -0.13 0.09 0.51 -0.51 4.01 3.98 3hriC1 GLY 432 HA3 -0.22 -0.10 0.59 -0.51 4.01 3.77 3hriC1 ALA 433 H -0.13 0.10 0.06 -0.55 8.40 7.89 3hriC1 ALA 433 HA -0.06 -0.04 0.23 -0.75 4.34 3.73 3hriC1 ALA 433 HB3 -0.04 0.06 -0.03 -0.04 1.41 1.35 3hriC1 LEU 434 H -0.04 0.23 0.27 -0.55 8.37 8.29 3hriC1 LEU 434 HA -0.02 -0.04 0.44 -0.75 4.35 3.98 3hriC1 LEU 434 HB2 -0.03 0.32 0.05 -0.04 1.64 1.95 3hriC1 LEU 434 HB3 -0.01 0.03 0.16 -0.04 1.64 1.78 3hriC1 LEU 434 HG -0.01 -0.07 0.05 -0.04 1.64 1.57 3hriC1 LEU 434 HD13 -0.03 0.00 -0.02 -0.04 0.93 0.85 3hriC1 LEU 434 HD23 -0.01 -0.02 -0.10 -0.04 0.89 0.71 3hriC1 ARG 435 H -0.00 0.86 -0.04 -0.55 8.46 8.72 3hriC1 ARG 435 HA 0.03 0.02 0.75 -0.75 4.34 4.39 3hriC1 ARG 435 HB2 0.01 0.01 -0.27 -0.04 1.90 1.60 3hriC1 ARG 435 HB3 0.01 0.10 0.07 -0.04 1.80 1.94 3hriC1 ARG 435 HG2 0.04 -0.06 -0.27 -0.04 1.67 1.34 3hriC1 ARG 435 HG3 0.03 -0.05 -0.19 -0.04 1.67 1.41 3hriC1 ARG 435 HD2 0.02 -0.03 -0.16 -0.04 3.22 3.01 3hriC1 ARG 435 HD3 0.01 0.03 -0.12 -0.04 3.22 3.10 3hriC1 ALA 436 H 0.08 0.52 0.18 -0.55 8.40 8.64 3hriC1 ALA 436 HA 0.05 0.17 1.03 -0.75 4.34 4.84 3hriC1 ALA 436 HB3 0.21 0.00 0.02 -0.04 1.41 1.60 3hriC1 VAL 437 H 0.03 0.84 0.32 -0.55 8.24 8.88 3hriC1 VAL 437 HA 0.07 0.20 0.75 -0.75 4.13 4.40 3hriC1 VAL 437 HB 0.03 -0.06 0.15 -0.04 2.12 2.21 3hriC1 VAL 437 HG13 0.06 -0.00 -0.19 -0.04 0.97 0.80 3hriC1 VAL 437 HG23 0.04 0.01 -0.22 -0.04 0.95 0.73 3hriC1 LEU 438 H 0.11 0.76 0.43 -0.55 8.37 9.12 3hriC1 LEU 438 HA 0.03 0.13 0.72 -0.75 4.35 4.48 3hriC1 LEU 438 HB2 0.19 0.09 0.14 -0.04 1.64 2.02 3hriC1 LEU 438 HB3 0.12 -0.13 0.10 -0.04 1.64 1.69 3hriC1 LEU 438 HG 0.08 0.02 -0.02 -0.04 1.64 1.67 3hriC1 LEU 438 HD13 0.25 -0.02 -0.03 -0.04 0.93 1.09 3hriC1 LEU 438 HD23 0.19 0.01 -0.08 -0.04 0.89 0.96 3hriC1 VAL 439 H 0.06 0.51 0.29 -0.55 8.24 8.54 3hriC1 VAL 439 HA 0.11 0.14 0.84 -0.75 4.13 4.46 3hriC1 VAL 439 HB -0.02 -0.04 0.26 -0.04 2.12 2.28 3hriC1 VAL 439 HG13 -0.11 -0.02 -0.06 -0.04 0.97 0.74 3hriC1 VAL 439 HG23 0.07 0.04 -0.19 -0.04 0.95 0.83 3hriC1 ALA 440 H 0.04 0.24 0.13 -0.55 8.40 8.26 3hriC1 ALA 440 HA -0.10 0.17 1.01 -0.75 4.34 4.67 3hriC1 ALA 440 HB3 -0.37 0.01 0.03 -0.04 1.41 1.05 3hriC1 PRO 441 HA -0.03 0.12 0.27 -0.51 4.44 4.29 3hriC1 PRO 441 HB2 -0.04 0.11 0.00 -0.04 2.28 2.30 3hriC1 PRO 441 HB3 -0.07 0.06 0.08 -0.04 2.02 2.06 3hriC1 PRO 441 HG2 -0.18 0.01 0.13 -0.04 2.03 1.95 3hriC1 PRO 441 HG3 -0.06 0.08 0.09 -0.04 2.03 2.10 3hriC1 PRO 441 HD2 -0.68 0.11 0.20 -0.04 3.68 3.27 3hriC1 PRO 441 HD3 -0.19 0.12 0.26 -0.04 3.65 3.80 3hriC1 ASP 442 H -0.15 0.11 -0.04 -0.55 8.40 7.78 3hriC1 ASP 442 HA -0.03 0.09 0.35 -0.75 4.63 4.29 3hriC1 ASP 442 HB2 -0.13 -0.10 0.06 -0.04 2.71 2.50 3hriC1 ASP 442 HB3 -0.05 0.10 -0.07 -0.04 2.70 2.63 3hriC1 GLU 443 H -0.04 0.03 -0.26 -0.55 8.60 7.78 3hriC1 GLU 443 HA -0.01 0.08 0.27 -0.75 4.29 3.88 3hriC1 GLU 443 HB2 0.03 -0.03 -0.00 -0.04 2.09 2.06 3hriC1 GLU 443 HB3 0.03 0.02 -0.42 -0.04 1.99 1.58 3hriC1 GLU 443 HG2 0.01 0.02 -0.20 -0.04 2.34 2.13 3hriC1 GLU 443 HG3 -0.01 0.05 -0.11 -0.04 2.34 2.23 3hriC1 TRP 444 H 0.17 0.46 -0.02 -0.55 7.97 8.03 3hriC1 TRP 444 HA -0.06 0.13 0.42 -0.75 4.62 4.36 3hriC1 TRP 444 HB2 -0.12 -0.03 0.05 -0.04 3.23 3.09 3hriC1 TRP 444 HB3 -0.16 -0.04 0.05 -0.04 3.23 3.04 3hriC1 TRP 444 HD1 -0.19 0.01 -0.24 -0.04 7.22 6.76 3hriC1 TRP 444 HE1 0.07 0.00 -0.05 -0.04 10.20 10.18 3hriC1 TRP 444 HE3 -0.02 0.06 -0.02 -0.04 7.59 7.56 3hriC1 TRP 444 HZ2 0.26 0.01 -0.02 -0.04 7.44 7.66 3hriC1 TRP 444 HZ3 0.04 0.02 -0.10 -0.04 7.13 7.06 3hriC1 TRP 444 HH2 0.09 0.03 -0.02 -0.04 7.19 7.24 3hriC1 ALA 445 H 0.09 0.66 -0.11 -0.55 8.40 8.50 3hriC1 ALA 445 HA -0.00 0.03 0.55 -0.75 4.34 4.17 3hriC1 ALA 445 HB3 0.02 -0.00 0.09 -0.04 1.41 1.48 3hriC1 ARG 446 H -0.04 0.33 -0.16 -0.55 8.46 8.03 3hriC1 ARG 446 HA -0.07 0.07 0.55 -0.75 4.34 4.14 3hriC1 GLY 447 H -0.25 0.31 -0.74 -0.55 8.43 7.21 3hriC1 GLY 447 HA2 -0.43 0.03 0.28 -0.51 4.01 3.39 3hriC1 GLY 447 HA3 -0.20 0.00 0.46 -0.51 4.01 3.76 3hriC1 GLU 448 H -0.14 0.31 -0.07 -0.55 8.60 8.14 3hriC1 GLU 448 HA -0.05 0.38 0.87 -0.75 4.29 4.74 3hriC1 VAL 449 H 0.02 0.44 0.33 -0.55 8.24 8.49 3hriC1 VAL 449 HA 0.11 -0.01 0.70 -0.75 4.13 4.18 3hriC1 VAL 449 HB 0.11 0.12 0.07 -0.04 2.12 2.37 3hriC1 VAL 449 HG13 0.22 -0.02 -0.22 -0.04 0.97 0.91 3hriC1 VAL 449 HG23 0.06 0.06 -0.16 -0.04 0.95 0.86 3hriC1 ARG 450 H 0.08 0.51 0.23 -0.55 8.46 8.73 3hriC1 ARG 450 HA 0.05 0.27 0.81 -0.75 4.34 4.72 3hriC1 ARG 450 HB2 0.06 -0.10 -0.01 -0.04 1.90 1.81 3hriC1 ARG 450 HB3 0.10 -0.04 0.10 -0.04 1.80 1.92 3hriC1 ARG 450 HG2 0.06 -0.00 -0.06 -0.04 1.67 1.62 3hriC1 ARG 450 HG3 0.04 0.02 -0.16 -0.04 1.67 1.53 3hriC1 VAL 451 H 0.04 0.57 0.30 -0.55 8.24 8.61 3hriC1 VAL 451 HA 0.07 0.20 0.81 -0.75 4.13 4.46 3hriC1 VAL 451 HB 0.03 0.11 0.15 -0.04 2.12 2.37 3hriC1 VAL 451 HG13 0.03 -0.02 -0.22 -0.04 0.97 0.72 3hriC1 VAL 451 HG23 0.04 -0.01 -0.22 -0.04 0.95 0.72 3hriC1 LYS 452 H 0.10 0.72 0.32 -0.55 8.42 9.01 3hriC1 LYS 452 HA 0.01 0.17 0.89 -0.75 4.32 4.64 3hriC1 LYS 452 HB2 0.14 -0.00 0.15 -0.04 1.87 2.11 3hriC1 LYS 452 HB3 -0.06 0.05 -0.04 -0.04 1.79 1.71 3hriC1 LYS 452 HG2 -0.03 0.11 -0.02 -0.04 1.46 1.47 3hriC1 LYS 452 HG3 0.05 -0.13 -0.29 -0.04 1.46 1.05 3hriC1 LYS 452 HD2 -0.15 -0.07 -0.04 -0.04 1.69 1.40 3hriC1 LYS 452 HD3 -0.32 0.01 0.01 -0.04 1.68 1.34 3hriC1 LYS 452 HE2 -0.07 0.21 0.01 -0.04 2.99 3.11 3hriC1 LYS 452 HE3 0.02 -0.10 -0.04 -0.04 2.99 2.83 3hriC1 MET 453 H 0.01 0.18 -0.01 -0.55 8.47 8.10 3hriC1 MET 453 HA 0.02 0.18 0.64 -0.75 4.52 4.60 3hriC1 MET 453 HB2 -0.00 -0.07 0.09 -0.04 2.15 2.13 3hriC1 MET 453 HB3 -0.00 0.09 0.05 -0.04 2.03 2.12 3hriC1 MET 453 HG2 0.01 -0.03 -0.03 -0.04 2.63 2.53 3hriC1 MET 453 HG3 0.00 0.00 0.01 -0.04 2.56 2.54 3hriC1 MET 453 HE3 0.01 -0.00 -0.07 -0.04 2.10 1.99 3hriC1 LEU 454 H 0.00 0.43 -0.01 -0.55 8.37 8.25 3hriC1 LEU 454 HA -0.01 0.11 0.65 -0.75 4.35 4.34 3hriC1 LEU 454 HB2 -0.01 -0.01 0.07 -0.04 1.64 1.65 3hriC1 LEU 454 HB3 -0.01 0.03 0.14 -0.04 1.64 1.76 3hriC1 LEU 454 HG 0.03 0.01 -0.07 -0.04 1.64 1.56 3hriC1 LEU 454 HD13 0.06 -0.03 -0.37 -0.04 0.93 0.54 3hriC1 LEU 454 HD23 0.03 -0.03 -0.20 -0.04 0.89 0.65 3hriC1 ARG 455 H -0.01 0.27 -0.43 -0.55 8.46 7.73 3hriC1 ARG 455 HA -0.01 0.13 0.09 -0.75 4.34 3.79 3hriC1 GLY 468 HA2 0.01 -0.01 0.05 -0.51 4.01 3.54 3hriC1 GLY 468 HA3 0.02 -0.14 0.10 -0.51 4.01 3.49 3hriC1 ILE 469 H 0.03 0.01 0.03 -0.55 8.25 7.77 3hriC1 ILE 469 HA 0.01 0.06 0.44 -0.75 4.18 3.93 3hriC1 VAL 470 H 0.01 0.13 0.13 -0.55 8.24 7.96 3hriC1 VAL 470 HA 0.02 0.28 0.66 -0.75 4.13 4.33 3hriC1 VAL 470 HB -0.00 0.01 0.10 -0.04 2.12 2.18 3hriC1 VAL 470 HG13 -0.01 -0.00 -0.12 -0.04 0.97 0.80 3hriC1 VAL 470 HG23 0.00 -0.02 -0.07 -0.04 0.95 0.82 3hriC1 LEU 471 H 0.01 0.31 0.39 -0.55 8.37 8.53 3hriC1 LEU 471 HA -0.01 0.16 0.74 -0.75 4.35 4.49 3hriC1 LEU 471 HB2 0.02 -0.04 -0.02 -0.04 1.64 1.55 3hriC1 LEU 471 HB3 0.00 -0.02 0.05 -0.04 1.64 1.64 3hriC1 LEU 471 HG 0.01 0.02 -0.55 -0.04 1.64 1.08 3hriC1 LEU 471 HD13 0.01 -0.02 -0.07 -0.04 0.93 0.82 3hriC1 LEU 471 HD23 0.00 0.10 0.11 -0.04 0.89 1.06 3hriC1 PRO 472 HA -0.06 0.39 0.69 -0.51 4.44 4.95 3hriC1 PRO 472 HB2 -0.03 -0.13 -0.20 -0.04 2.28 1.88 3hriC1 PRO 472 HB3 -0.05 0.05 0.03 -0.04 2.02 2.01 3hriC1 PRO 472 HG2 -0.02 0.06 0.03 -0.04 2.03 2.05 3hriC1 PRO 472 HG3 -0.03 0.06 0.05 -0.04 2.03 2.07 3hriC1 PRO 472 HD2 -0.01 0.17 0.25 -0.04 3.68 4.04 3hriC1 PRO 472 HD3 -0.02 0.11 0.13 -0.04 3.65 3.84 3hriC1 VAL 473 H -0.00 0.01 0.03 -0.55 8.24 7.73 3hriC1 VAL 473 HA -0.01 0.04 0.22 -0.75 4.13 3.63 3hriC1 ASP 474 H -0.01 0.04 -0.06 -0.55 8.40 7.82 3hriC1 ASP 474 HA -0.01 0.11 0.12 -0.75 4.63 4.10