============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 12 1.000 6.934 -11.800 53.116 -99.200 -91.000 TYR 18 0.840 2.979 -4.180 59.354 -99.200 -91.000 TYR 23 0.840 4.910 -12.641 43.936 -99.200 -91.000 TYR 29 0.840 18.960 -8.294 47.916 -99.200 -91.000 TYR 36 0.840 -6.305 -4.192 57.930 -99.200 -91.000 PHE 52 1.000 21.043 -10.165 57.143 -99.200 -91.000 HIS 54 0.900 25.777 -14.371 47.675 -99.200 -91.000 TYR 57 0.840 22.454 -10.555 46.554 -99.200 -91.000 PHE 71 1.000 17.468 10.550 48.787 -99.200 -91.000 HIS 73 0.900 10.249 14.719 45.473 -99.200 -91.000 TYR 95 0.840 10.049 -10.155 57.015 -99.200 -91.000 TYR 106 0.840 7.360 -5.575 32.745 -99.200 -91.000 HIS 113 0.900 -1.966 4.707 22.657 -99.200 -91.000 HIS 118 0.900 -3.501 10.165 31.049 -99.200 -91.000 TYR 121 0.840 0.686 14.046 36.535 -99.200 -91.000 PHE 122 1.000 1.894 7.793 33.873 -99.200 -91.000 TYR 124 0.840 6.402 18.129 36.883 -99.200 -91.000 TYR 132 0.840 14.602 14.897 47.996 -99.200 -91.000 HIS 134 0.900 20.312 12.929 38.779 -99.200 -91.000 HIS 140 0.900 16.688 3.996 40.927 -99.200 -91.000 PHE 161 1.000 15.587 5.698 45.494 -99.200 -91.000 TRP 172 1.040 16.232 -4.968 27.124 -99.200 -91.000 TRP6 172 1.020 14.014 -5.773 27.313 -99.200 -91.000 TYR 173 0.840 14.468 -0.114 30.419 -99.200 -91.000 TYR 182 0.840 28.302 3.930 36.521 -99.200 -91.000 TRP 189 1.040 20.728 5.551 27.673 -99.200 -91.000 TRP6 189 1.020 21.472 6.391 25.581 -99.200 -91.000 PHE 205 1.000 18.318 2.738 22.252 -99.200 -91.000 HIS 209 0.900 24.544 -10.585 22.456 -99.200 -91.000 TYR 210 0.840 29.346 -5.219 26.339 -99.200 -91.000 HIS 216 0.900 18.793 -4.185 19.649 -99.200 -91.000 TYR 240 0.840 31.010 -5.563 18.079 -99.200 -91.000 HIS 246 0.900 27.601 5.462 8.158 -99.200 -91.000 TRP 252 1.040 15.454 11.347 17.996 -99.200 -91.000 TRP6 252 1.020 15.914 9.340 19.152 -99.200 -91.000 PHE 256 1.000 9.861 6.550 19.484 -99.200 -91.000 PHE 273 1.000 27.904 6.581 22.012 -99.200 -91.000 HIS 276 0.900 31.601 14.225 29.593 -99.200 -91.000 HIS 287 0.900 12.043 20.010 25.548 -99.200 -91.000 TYR 289 0.840 6.335 16.072 26.157 -99.200 -91.000 TYR 293 0.840 1.364 18.108 33.694 -99.200 -91.000 TYR 294 0.840 10.433 24.448 35.141 -99.200 -91.000 PHE 306 1.000 22.822 9.431 52.179 -99.200 -91.000 PHE 308 1.000 26.240 5.679 51.701 -99.200 -91.000 PHE 325 1.000 20.467 -6.223 65.983 -99.200 -91.000 PHE 331 1.000 12.063 2.329 61.215 -99.200 -91.000 TYR 335 0.840 15.839 3.932 69.144 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3i60A1 GLY 6 HA2 0.01 -0.08 0.20 -0.51 4.01 3.62 3i60A1 GLY 6 HA3 0.01 -0.05 0.10 -0.51 4.01 3.56 3i60A1 ALA 7 H 0.01 0.05 0.08 -0.55 8.40 7.99 3i60A1 ALA 7 HA 0.01 0.12 0.49 -0.75 4.34 4.21 3i60A1 ALA 7 HB3 0.02 -0.01 0.07 -0.04 1.41 1.44 3i60A1 GLY 8 H 0.02 -0.07 -0.07 -0.55 8.43 7.76 3i60A1 GLY 8 HA2 0.02 -0.03 0.26 -0.51 4.01 3.75 3i60A1 GLY 8 HA3 0.02 0.22 0.70 -0.51 4.01 4.44 3i60A1 PRO 9 HA 0.03 -0.03 0.38 -0.51 4.44 4.31 3i60A1 PRO 9 HB2 0.05 0.07 -0.06 -0.04 2.28 2.30 3i60A1 PRO 9 HB3 0.05 -0.05 0.04 -0.04 2.02 2.02 3i60A1 PRO 9 HG2 0.04 0.04 0.05 -0.04 2.03 2.11 3i60A1 PRO 9 HG3 0.03 0.01 0.05 -0.04 2.03 2.09 3i60A1 PRO 9 HD2 0.03 0.15 0.15 -0.04 3.68 3.97 3i60A1 PRO 9 HD3 0.03 0.07 0.17 -0.04 3.65 3.87 3i60A1 GLU 10 H 0.05 0.09 0.15 -0.55 8.60 8.34 3i60A1 GLU 10 HA 0.05 0.16 0.65 -0.75 4.29 4.39 3i60A1 GLU 10 HB2 0.06 0.09 0.21 -0.04 2.09 2.41 3i60A1 GLU 10 HB3 0.08 -0.04 -0.01 -0.04 1.99 1.98 3i60A1 GLU 10 HG2 0.01 -0.09 0.06 -0.04 2.34 2.28 3i60A1 GLU 10 HG3 0.03 0.02 0.11 -0.04 2.34 2.46 3i60A1 MET 11 H 0.05 0.29 0.13 -0.55 8.47 8.40 3i60A1 MET 11 HA 0.15 0.18 0.59 -0.75 4.52 4.69 3i60A1 MET 11 HB2 0.06 0.10 -0.46 -0.04 2.15 1.82 3i60A1 MET 11 HB3 0.05 -0.03 -0.12 -0.04 2.03 1.89 3i60A1 MET 11 HG2 0.07 -0.16 -0.45 -0.04 2.63 2.05 3i60A1 MET 11 HG3 0.08 0.03 -0.51 -0.04 2.56 2.12 3i60A1 MET 11 HE3 0.04 0.02 -0.14 -0.04 2.10 1.97 3i60A1 VAL 12 H 0.16 0.82 0.03 -0.55 8.24 8.70 3i60A1 VAL 12 HA 0.02 0.12 0.77 -0.75 4.13 4.28 3i60A1 VAL 12 HB -0.02 0.07 -0.03 -0.04 2.12 2.09 3i60A1 VAL 12 HG13 0.04 -0.01 -0.18 -0.04 0.97 0.78 3i60A1 VAL 12 HG23 -0.19 0.00 -0.28 -0.04 0.95 0.43 3i60A1 ARG 13 H 0.02 0.18 0.06 -0.55 8.46 8.17 3i60A1 ARG 13 HA 0.00 0.04 0.33 -0.75 4.34 3.97 3i60A1 ARG 13 HB2 0.03 0.14 0.03 -0.04 1.90 2.05 3i60A1 ARG 13 HB3 -0.03 0.03 0.16 -0.04 1.80 1.92 3i60A1 ARG 13 HG2 -0.05 0.02 0.06 -0.04 1.67 1.66 3i60A1 ARG 13 HG3 -0.01 -0.08 -0.11 -0.04 1.67 1.44 3i60A1 ARG 13 HD2 -0.31 0.02 -0.03 -0.04 3.22 2.87 3i60A1 ARG 13 HD3 -0.21 0.02 0.01 -0.04 3.22 3.00 3i60A1 GLY 14 H 0.04 0.08 -0.19 -0.55 8.43 7.80 3i60A1 GLY 14 HA2 0.04 0.01 0.20 -0.51 4.01 3.74 3i60A1 GLY 14 HA3 0.03 0.08 0.25 -0.51 4.01 3.87 3i60A1 GLN 15 H 0.10 0.36 -1.00 -0.55 8.47 7.39 3i60A1 GLN 15 HA 0.08 0.09 0.76 -0.75 4.36 4.53 3i60A1 GLN 15 HB2 0.09 0.02 -0.00 -0.04 2.15 2.22 3i60A1 GLN 15 HB3 0.18 0.16 0.09 -0.04 2.02 2.41 3i60A1 GLN 15 HG2 0.14 0.10 -0.22 -0.04 2.40 2.39 3i60A1 GLN 15 HG3 0.07 -0.06 -0.00 -0.04 2.39 2.35 3i60A1 GLN 15 HE21 0.07 -0.03 -0.07 -0.04 6.97 6.90 3i60A1 GLN 15 HE22 0.11 0.08 -0.02 -0.04 7.69 7.83 3i60A1 VAL 16 H 0.08 0.13 0.12 -0.55 8.24 8.02 3i60A1 VAL 16 HA 0.13 0.15 0.40 -0.75 4.13 4.06 3i60A1 VAL 16 HB 0.07 0.03 0.08 -0.04 2.12 2.27 3i60A1 VAL 16 HG13 0.06 -0.01 -0.02 -0.04 0.97 0.96 3i60A1 VAL 16 HG23 0.08 -0.00 -0.07 -0.04 0.95 0.92 3i60A1 PHE 17 H 0.20 0.69 -0.03 -0.55 8.34 8.64 3i60A1 PHE 17 HA 0.16 0.12 0.53 -0.75 4.62 4.67 3i60A1 PHE 17 HB2 0.03 -0.02 -0.27 -0.04 3.15 2.85 3i60A1 PHE 17 HB3 -0.06 -0.06 0.01 -0.04 3.06 2.91 3i60A1 PHE 17 HD2 -0.02 0.05 -0.26 -0.04 7.28 7.00 3i60A1 PHE 17 HE2 0.09 -0.01 -0.18 -0.04 7.38 7.23 3i60A1 PHE 17 HZ 0.05 0.13 -0.14 -0.04 7.32 7.33 3i60A1 ASP 18 H 0.03 0.21 -0.16 -0.55 8.40 7.94 3i60A1 ASP 18 HA -0.00 0.04 0.43 -0.75 4.63 4.34 3i60A1 ASP 18 HB2 0.08 0.01 0.05 -0.04 2.71 2.81 3i60A1 ASP 18 HB3 0.10 0.03 0.15 -0.04 2.70 2.95 3i60A1 VAL 19 H -0.08 0.55 0.10 -0.55 8.24 8.26 3i60A1 VAL 19 HA -0.23 0.15 0.60 -0.75 4.13 3.89 3i60A1 VAL 19 HB 0.01 -0.03 0.09 -0.04 2.12 2.14 3i60A1 VAL 19 HG13 -0.57 -0.03 -0.28 -0.04 0.97 0.05 3i60A1 VAL 19 HG23 0.04 0.10 -0.07 -0.04 0.95 0.98 3i60A1 GLY 20 H -0.01 0.06 -0.58 -0.55 8.43 7.36 3i60A1 GLY 20 HA2 0.02 0.03 0.25 -0.51 4.01 3.79 3i60A1 GLY 20 HA3 0.03 0.04 0.31 -0.51 4.01 3.88 3i60A1 PRO 21 HA 0.00 0.18 0.55 -0.51 4.44 4.66 3i60A1 PRO 21 HB2 -0.02 0.05 0.03 -0.04 2.28 2.30 3i60A1 PRO 21 HB3 0.00 -0.00 0.08 -0.04 2.02 2.06 3i60A1 PRO 21 HG2 -0.02 0.05 0.02 -0.04 2.03 2.04 3i60A1 PRO 21 HG3 -0.00 0.04 0.05 -0.04 2.03 2.08 3i60A1 PRO 21 HD2 0.00 0.11 0.21 -0.04 3.68 3.96 3i60A1 PRO 21 HD3 0.01 0.10 0.14 -0.04 3.65 3.85 3i60A1 ARG 22 H -0.08 0.10 -0.13 -0.55 8.46 7.80 3i60A1 ARG 22 HA -0.21 0.07 0.58 -0.75 4.34 4.03 3i60A1 ARG 22 HB2 -0.23 0.00 0.06 -0.04 1.90 1.70 3i60A1 ARG 22 HB3 -0.45 0.08 0.04 -0.04 1.80 1.42 3i60A1 ARG 22 HG2 -1.35 0.01 -0.16 -0.04 1.67 0.13 3i60A1 ARG 22 HG3 -0.43 -0.13 0.10 -0.04 1.67 1.17 3i60A1 ARG 22 HD2 -0.22 0.04 -0.00 -0.04 3.22 3.00 3i60A1 ARG 22 HD3 -0.40 0.07 -0.05 -0.04 3.22 2.80 3i60A1 TYR 23 H 0.01 0.36 -0.20 -0.55 8.29 7.91 3i60A1 TYR 23 HA -0.03 0.37 0.96 -0.75 4.56 5.11 3i60A1 TYR 23 HB2 -0.04 0.16 0.09 -0.04 3.06 3.23 3i60A1 TYR 23 HB3 -0.02 -0.05 -0.12 -0.04 2.98 2.74 3i60A1 TYR 23 HD2 -0.05 0.12 -0.18 -0.04 7.15 7.00 3i60A1 TYR 23 HE2 -0.04 -0.00 -0.13 -0.04 6.85 6.63 3i60A1 THR 24 H 0.14 0.51 0.25 -0.55 8.28 8.64 3i60A1 THR 24 HA 0.06 0.16 0.78 -0.75 4.39 4.64 3i60A1 THR 24 HB 0.06 -0.13 0.12 -0.04 4.32 4.33 3i60A1 THR 24 HG23 0.04 0.02 -0.27 -0.04 1.22 0.97 3i60A1 ASN 25 H 0.04 0.15 0.15 -0.55 8.53 8.32 3i60A1 ASN 25 HA 0.01 0.05 0.36 -0.75 4.76 4.42 3i60A1 ASN 25 HB2 0.09 0.05 -0.03 -0.04 2.88 2.94 3i60A1 ASN 25 HB3 0.01 0.03 0.16 -0.04 2.79 2.96 3i60A1 ASN 25 HD21 -0.01 0.05 -0.06 -0.04 7.03 6.97 3i60A1 ASN 25 HD22 0.08 -0.16 -0.31 -0.04 7.74 7.31 3i60A1 LEU 26 H -0.01 -0.00 -0.01 -0.55 8.37 7.80 3i60A1 LEU 26 HA -0.06 0.49 0.65 -0.75 4.35 4.67 3i60A1 LEU 26 HB2 -0.11 -0.04 0.01 -0.04 1.64 1.47 3i60A1 LEU 26 HB3 -0.25 0.01 -0.06 -0.04 1.64 1.30 3i60A1 LEU 26 HG -0.03 -0.08 -0.06 -0.04 1.64 1.43 3i60A1 LEU 26 HD13 -0.25 0.00 -0.16 -0.04 0.93 0.48 3i60A1 LEU 26 HD23 -0.04 0.03 -0.34 -0.04 0.89 0.50 3i60A1 SER 27 H -0.08 0.49 0.35 -0.55 8.46 8.67 3i60A1 SER 27 HA -0.02 0.08 0.70 -0.75 4.49 4.50 3i60A1 SER 27 HB2 -0.02 -0.04 0.09 -0.04 3.95 3.93 3i60A1 SER 27 HB3 0.00 0.07 0.04 -0.04 3.93 4.01 3i60A1 TYR 28 H 0.09 0.10 0.13 -0.55 8.29 8.06 3i60A1 TYR 28 HA -0.09 0.10 0.62 -0.75 4.56 4.44 3i60A1 TYR 28 HB2 -0.04 -0.03 0.12 -0.04 3.06 3.06 3i60A1 TYR 28 HB3 -0.03 -0.00 0.15 -0.04 2.98 3.05 3i60A1 TYR 28 HD2 -0.01 0.01 -0.12 -0.04 7.15 6.99 3i60A1 TYR 28 HE2 -0.01 0.03 -0.11 -0.04 6.85 6.72 3i60A1 ILE 29 H -0.58 0.59 0.51 -0.55 8.25 8.22 3i60A1 ILE 29 HA -0.15 0.18 0.76 -0.75 4.18 4.21 3i60A1 ILE 29 HB -0.11 -0.01 0.11 -0.04 1.89 1.83 3i60A1 ILE 29 HG12 -0.18 -0.08 -0.41 -0.04 1.49 0.77 3i60A1 ILE 29 HG13 -0.19 -0.02 -0.38 -0.04 1.21 0.58 3i60A1 ILE 29 HG23 -0.07 0.02 -0.15 -0.04 0.93 0.70 3i60A1 ILE 29 HD13 -0.08 0.01 -0.22 -0.04 0.88 0.54 3i60A1 GLY 30 H -1.38 0.22 0.34 -0.55 8.43 7.07 3i60A1 GLY 30 HA2 -0.22 0.04 0.36 -0.51 4.01 3.69 3i60A1 GLY 30 HA3 -0.23 0.14 0.57 -0.51 4.01 3.97 3i60A1 GLU 31 H -0.05 0.28 0.24 -0.55 8.60 8.53 3i60A1 GLU 31 HA -0.04 -0.01 0.78 -0.75 4.29 4.26 3i60A1 GLU 31 HB2 0.04 0.22 0.31 -0.04 2.09 2.62 3i60A1 GLU 31 HB3 0.24 -0.01 -0.01 -0.04 1.99 2.17 3i60A1 GLU 31 HG2 0.08 -0.11 0.02 -0.04 2.34 2.29 3i60A1 GLU 31 HG3 0.00 0.07 -0.15 -0.04 2.34 2.22 3i60A1 GLY 32 H -0.11 0.65 0.18 -0.55 8.43 8.60 3i60A1 GLY 32 HA2 -0.15 0.18 0.62 -0.51 4.01 4.15 3i60A1 GLY 32 HA3 -0.25 -0.06 0.29 -0.51 4.01 3.48 3i60A1 ALA 33 H -0.31 0.13 0.12 -0.55 8.40 7.79 3i60A1 ALA 33 HA -0.09 0.15 0.41 -0.75 4.34 4.06 3i60A1 ALA 33 HB3 -0.09 0.01 0.08 -0.04 1.41 1.36 3i60A1 TYR 34 H -0.73 0.01 -0.11 -0.55 8.29 6.91 3i60A1 TYR 34 HA -0.15 0.28 0.85 -0.75 4.56 4.79 3i60A1 TYR 34 HB2 -0.24 0.07 0.10 -0.04 3.06 2.95 3i60A1 TYR 34 HB3 -0.60 0.05 -0.04 -0.04 2.98 2.35 3i60A1 TYR 34 HD2 -0.78 -0.10 -0.07 -0.04 7.15 6.15 3i60A1 TYR 34 HE2 -0.26 0.04 -0.05 -0.04 6.85 6.54 3i60A1 GLY 35 H -0.20 0.30 -0.22 -0.55 8.43 7.77 3i60A1 GLY 35 HA2 -0.09 0.07 0.29 -0.51 4.01 3.76 3i60A1 GLY 35 HA3 -0.19 0.32 0.66 -0.51 4.01 4.28 3i60A1 MET 36 H -0.03 0.61 0.36 -0.55 8.47 8.86 3i60A1 MET 36 HA 0.02 0.06 1.01 -0.75 4.52 4.85 3i60A1 MET 36 HB2 0.15 0.01 -0.23 -0.04 2.15 2.03 3i60A1 MET 36 HB3 0.33 -0.03 0.00 -0.04 2.03 2.29 3i60A1 MET 36 HG2 0.09 0.12 0.01 -0.04 2.63 2.81 3i60A1 MET 36 HG3 0.34 0.00 0.11 -0.04 2.56 2.97 3i60A1 MET 36 HE3 0.18 0.02 -0.02 -0.04 2.10 2.24 3i60A1 VAL 37 H -0.14 0.80 0.25 -0.55 8.24 8.60 3i60A1 VAL 37 HA 0.02 0.32 1.17 -0.75 4.13 4.88 3i60A1 VAL 37 HB -0.19 -0.07 -0.12 -0.04 2.12 1.70 3i60A1 VAL 37 HG13 -0.08 0.02 -0.18 -0.04 0.97 0.70 3i60A1 VAL 37 HG23 -0.10 -0.02 -0.29 -0.04 0.95 0.50 3i60A1 CYS 38 H -0.04 0.75 0.39 -0.55 8.50 9.05 3i60A1 CYS 38 HA -0.21 0.16 1.02 -0.75 4.58 4.79 3i60A1 CYS 38 HB2 -0.44 -0.03 -0.01 -0.04 2.97 2.44 3i60A1 CYS 38 HB3 -0.30 0.11 0.02 -0.04 2.97 2.75 3i60A1 SER 39 H -0.11 0.55 0.33 -0.55 8.46 8.68 3i60A1 SER 39 HA -0.05 0.37 1.10 -0.75 4.49 5.16 3i60A1 SER 39 HB2 -0.01 0.01 0.10 -0.04 3.95 4.01 3i60A1 SER 39 HB3 -0.04 -0.01 0.08 -0.04 3.93 3.92 3i60A1 ALA 40 H 0.01 0.50 0.32 -0.55 8.40 8.69 3i60A1 ALA 40 HA 0.04 0.31 0.64 -0.75 4.34 4.57 3i60A1 ALA 40 HB3 0.04 -0.02 -0.29 -0.04 1.41 1.09 3i60A1 TYR 41 H 0.19 0.88 0.29 -0.55 8.29 9.10 3i60A1 TYR 41 HA 0.04 0.11 0.85 -0.75 4.56 4.81 3i60A1 TYR 41 HB2 0.01 0.00 0.01 -0.04 3.06 3.04 3i60A1 TYR 41 HB3 0.01 -0.07 0.02 -0.04 2.98 2.90 3i60A1 TYR 41 HD2 0.00 -0.05 -0.25 -0.04 7.15 6.81 3i60A1 TYR 41 HE2 -0.01 0.03 -0.22 -0.04 6.85 6.61 3i60A1 ASP 42 H -0.26 0.84 0.34 -0.55 8.40 8.77 3i60A1 ASP 42 HA -0.29 0.25 0.83 -0.75 4.63 4.67 3i60A1 ASP 42 HB2 0.11 0.05 0.01 -0.04 2.71 2.84 3i60A1 ASP 42 HB3 -0.15 -0.03 0.17 -0.04 2.70 2.66 3i60A1 ASN 43 H -0.36 0.60 0.24 -0.55 8.53 8.46 3i60A1 ASN 43 HA -0.39 0.11 0.48 -0.75 4.76 4.21 3i60A1 ASN 43 HB2 0.01 -0.01 0.12 -0.04 2.88 2.95 3i60A1 ASN 43 HB3 0.01 0.03 0.05 -0.04 2.79 2.84 3i60A1 ASN 43 HD21 -0.07 -0.04 -0.04 -0.04 7.03 6.83 3i60A1 ASN 43 HD22 -0.01 -0.03 0.03 -0.04 7.74 7.69 3i60A1 VAL 44 H -0.24 -0.01 -0.22 -0.55 8.24 7.22 3i60A1 VAL 44 HA -0.08 0.21 0.78 -0.75 4.13 4.28 3i60A1 VAL 44 HB -0.11 -0.10 0.13 -0.04 2.12 2.00 3i60A1 VAL 44 HG13 -0.04 0.02 -0.08 -0.04 0.97 0.83 3i60A1 VAL 44 HG23 -0.12 0.01 -0.01 -0.04 0.95 0.79 3i60A1 ASN 45 H -0.11 0.04 -0.00 -0.55 8.53 7.91 3i60A1 ASN 45 HA -0.04 0.16 0.39 -0.75 4.76 4.52 3i60A1 ASN 45 HB2 -0.04 -0.05 0.04 -0.04 2.88 2.79 3i60A1 ASN 45 HB3 -0.02 0.04 0.06 -0.04 2.79 2.83 3i60A1 ASN 45 HD21 0.02 0.05 -0.02 -0.04 7.03 7.04 3i60A1 ASN 45 HD22 0.02 -0.01 -0.02 -0.04 7.74 7.68 3i60A1 LYS 46 H -0.21 0.12 -0.57 -0.55 8.42 7.20 3i60A1 LYS 46 HA -0.18 0.11 0.25 -0.75 4.32 3.75 3i60A1 LYS 46 HB2 0.02 0.14 -0.26 -0.04 1.87 1.72 3i60A1 LYS 46 HB3 0.10 -0.08 0.16 -0.04 1.79 1.92 3i60A1 LYS 46 HG2 0.09 -0.03 -0.04 -0.04 1.46 1.43 3i60A1 LYS 46 HG3 -0.02 0.24 -0.27 -0.04 1.46 1.37 3i60A1 LYS 46 HD2 0.02 -0.00 -0.07 -0.04 1.69 1.60 3i60A1 LYS 46 HD3 0.05 -0.07 -0.02 -0.04 1.68 1.60 3i60A1 LYS 46 HE2 0.01 0.09 0.02 -0.04 2.99 3.07 3i60A1 LYS 46 HE3 0.02 -0.07 0.00 -0.04 2.99 2.89 3i60A1 VAL 47 H -0.15 0.09 -0.08 -0.55 8.24 7.55 3i60A1 VAL 47 HA 0.09 0.16 0.82 -0.75 4.13 4.44 3i60A1 VAL 47 HB 0.03 0.07 0.09 -0.04 2.12 2.26 3i60A1 VAL 47 HG13 0.02 0.06 -0.13 -0.04 0.97 0.88 3i60A1 VAL 47 HG23 -0.01 -0.04 -0.23 -0.04 0.95 0.63 3i60A1 ARG 48 H 0.09 0.14 0.17 -0.55 8.46 8.31 3i60A1 ARG 48 HA 0.11 0.26 1.10 -0.75 4.34 5.06 3i60A1 ARG 48 HB2 0.06 -0.04 0.13 -0.04 1.90 2.01 3i60A1 ARG 48 HB3 0.06 0.04 0.03 -0.04 1.80 1.89 3i60A1 ARG 48 HG2 0.19 0.02 -0.15 -0.04 1.67 1.68 3i60A1 ARG 48 HG3 0.17 -0.05 -0.06 -0.04 1.67 1.70 3i60A1 ARG 48 HD2 0.04 -0.01 -0.06 -0.04 3.22 3.15 3i60A1 ARG 48 HD3 0.04 -0.02 -0.03 -0.04 3.22 3.18 3i60A1 VAL 49 H 0.04 0.76 0.40 -0.55 8.24 8.89 3i60A1 VAL 49 HA 0.00 0.10 0.90 -0.75 4.13 4.38 3i60A1 VAL 49 HB -0.03 0.11 0.07 -0.04 2.12 2.23 3i60A1 VAL 49 HG13 0.05 -0.01 -0.26 -0.04 0.97 0.70 3i60A1 VAL 49 HG23 -0.00 0.00 -0.25 -0.04 0.95 0.66 3i60A1 ALA 50 H -0.04 0.74 0.21 -0.55 8.40 8.77 3i60A1 ALA 50 HA -0.05 0.30 1.10 -0.75 4.34 4.94 3i60A1 ALA 50 HB3 -0.05 -0.01 -0.03 -0.04 1.41 1.28 3i60A1 ILE 51 H -0.05 0.84 0.28 -0.55 8.25 8.76 3i60A1 ILE 51 HA -0.06 0.27 0.94 -0.75 4.18 4.58 3i60A1 ILE 51 HB 0.07 -0.04 -0.04 -0.04 1.89 1.84 3i60A1 ILE 51 HG12 -0.33 0.03 -0.28 -0.04 1.49 0.87 3i60A1 ILE 51 HG13 -0.15 -0.03 -0.45 -0.04 1.21 0.54 3i60A1 ILE 51 HG23 0.16 -0.01 -0.34 -0.04 0.93 0.70 3i60A1 ILE 51 HD13 -0.25 -0.00 -0.23 -0.04 0.88 0.36 3i60A1 LYS 52 H -0.00 0.78 0.25 -0.55 8.42 8.90 3i60A1 LYS 52 HA 0.03 0.18 0.95 -0.75 4.32 4.72 3i60A1 LYS 52 HB2 -0.05 0.00 -0.04 -0.04 1.87 1.74 3i60A1 LYS 52 HB3 -0.05 0.02 0.20 -0.04 1.79 1.92 3i60A1 LYS 52 HG2 -0.10 -0.01 -0.33 -0.04 1.46 0.98 3i60A1 LYS 52 HG3 -0.09 0.01 -0.18 -0.04 1.46 1.16 3i60A1 LYS 52 HD2 -0.08 -0.01 -0.12 -0.04 1.69 1.45 3i60A1 LYS 52 HD3 -0.07 0.02 -0.09 -0.04 1.68 1.51 3i60A1 LYS 52 HE2 -0.12 0.01 -0.15 -0.04 2.99 2.69 3i60A1 LYS 52 HE3 -0.19 -0.02 -0.19 -0.04 2.99 2.56 3i60A1 LYS 53 H 0.10 0.72 0.33 -0.55 8.42 9.01 3i60A1 LYS 53 HA -0.35 0.25 0.95 -0.75 4.32 4.41 3i60A1 LYS 53 HB2 -0.58 -0.03 0.02 -0.04 1.87 1.23 3i60A1 LYS 53 HB3 -0.16 -0.00 0.23 -0.04 1.79 1.82 3i60A1 LYS 53 HG2 -0.35 -0.02 -0.33 -0.04 1.46 0.72 3i60A1 LYS 53 HG3 -0.88 -0.02 -0.07 -0.04 1.46 0.45 3i60A1 LYS 53 HD2 -0.89 0.04 -0.03 -0.04 1.69 0.77 3i60A1 LYS 53 HD3 -0.24 -0.06 -0.08 -0.04 1.68 1.27 3i60A1 LYS 53 HE2 -0.22 -0.03 -0.12 -0.04 2.99 2.58 3i60A1 LYS 53 HE3 -0.27 -0.08 -0.09 -0.04 2.99 2.51 3i60A1 ILE 54 H -0.31 0.72 0.42 -0.55 8.25 8.54 3i60A1 ILE 54 HA -0.14 0.24 1.03 -0.75 4.18 4.55 3i60A1 ILE 54 HB 0.13 -0.05 -0.00 -0.04 1.89 1.93 3i60A1 ILE 54 HG12 -0.17 0.31 0.21 -0.04 1.49 1.81 3i60A1 ILE 54 HG13 -0.16 -0.08 0.00 -0.04 1.21 0.94 3i60A1 ILE 54 HG23 -0.19 -0.03 -0.26 -0.04 0.93 0.42 3i60A1 ILE 54 HD13 -0.04 -0.01 -0.08 -0.04 0.88 0.70 3i60A1 SER 55 H 0.04 0.82 0.28 -0.55 8.46 9.06 3i60A1 SER 55 HA -0.24 0.23 0.96 -0.75 4.49 4.69 3i60A1 SER 55 HB2 -0.02 -0.00 0.20 -0.04 3.95 4.09 3i60A1 SER 55 HB3 -0.03 -0.00 0.19 -0.04 3.93 4.04 3i60A1 PRO 56 HA -0.24 0.09 0.36 -0.51 4.44 4.14 3i60A1 PRO 56 HB2 -0.31 -0.02 -0.37 -0.04 2.28 1.54 3i60A1 PRO 56 HB3 -0.47 0.05 -0.17 -0.04 2.02 1.39 3i60A1 PRO 56 HG2 -1.06 0.07 -0.13 -0.04 2.03 0.87 3i60A1 PRO 56 HG3 -0.41 0.06 -0.11 -0.04 2.03 1.52 3i60A1 PRO 56 HD2 -1.69 0.14 0.02 -0.04 3.68 2.11 3i60A1 PRO 56 HD3 -0.53 0.24 -0.28 -0.04 3.65 3.03 3i60A1 PHE 57 H -0.30 0.24 -0.18 -0.55 8.34 7.55 3i60A1 PHE 57 HA -0.03 0.05 -0.09 -0.75 4.62 3.79 3i60A1 PHE 57 HB2 -0.03 0.05 0.05 -0.04 3.15 3.19 3i60A1 PHE 57 HB3 -0.03 0.02 0.04 -0.04 3.06 3.04 3i60A1 PHE 57 HD2 -0.02 0.01 -0.06 -0.04 7.28 7.17 3i60A1 PHE 57 HE2 -0.01 -0.09 -0.42 -0.04 7.38 6.83 3i60A1 PHE 57 HZ 0.01 0.02 -0.23 -0.04 7.32 7.08 3i60A1 GLU 58 H 0.02 0.12 -0.23 -0.55 8.60 7.96 3i60A1 GLU 58 HA -0.09 0.10 0.46 -0.75 4.29 4.00 3i60A1 GLU 58 HB2 -0.05 0.01 0.08 -0.04 2.09 2.09 3i60A1 GLU 58 HB3 -0.18 0.02 0.03 -0.04 1.99 1.81 3i60A1 GLU 58 HG2 -0.43 -0.02 0.06 -0.04 2.34 1.91 3i60A1 GLU 58 HG3 -0.14 0.01 0.07 -0.04 2.34 2.24 3i60A1 HIS 59 H -0.03 0.40 -0.12 -0.55 8.41 8.12 3i60A1 HIS 59 HA -0.15 0.20 1.07 -0.75 4.63 5.00 3i60A1 HIS 59 HB2 -0.68 0.01 0.16 -0.04 3.26 2.71 3i60A1 HIS 59 HB3 -0.56 -0.12 0.06 -0.04 3.20 2.54 3i60A1 HIS 59 HD2 0.02 0.03 -0.03 -0.04 6.97 6.94 3i60A1 HIS 59 HE1 -0.08 0.02 0.00 -0.04 7.75 7.65 3i60A1 GLN 60 H -0.04 0.23 0.18 -0.55 8.47 8.30 3i60A1 GLN 60 HA -0.03 0.06 0.34 -0.75 4.36 3.98 3i60A1 GLN 60 HB2 -0.04 -0.01 0.20 -0.04 2.15 2.26 3i60A1 GLN 60 HB3 -0.05 0.03 0.10 -0.04 2.02 2.07 3i60A1 GLN 60 HG2 -0.03 -0.04 0.10 -0.04 2.40 2.39 3i60A1 GLN 60 HG3 -0.03 -0.06 0.11 -0.04 2.39 2.37 3i60A1 GLN 60 HE21 -0.04 0.07 0.06 -0.04 6.97 7.01 3i60A1 GLN 60 HE22 -0.03 0.33 0.07 -0.04 7.69 8.02 3i60A1 THR 61 H -0.14 0.05 -0.25 -0.55 8.28 7.39 3i60A1 THR 61 HA -0.06 0.16 0.51 -0.75 4.39 4.25 3i60A1 THR 61 HB -0.27 -0.04 0.04 -0.04 4.32 4.02 3i60A1 THR 61 HG23 -0.02 0.03 -0.05 -0.04 1.22 1.13 3i60A1 TYR 62 H -0.24 0.12 -0.09 -0.55 8.29 7.53 3i60A1 TYR 62 HA -0.42 0.04 0.43 -0.75 4.56 3.86 3i60A1 TYR 62 HB2 -0.34 0.31 0.26 -0.04 3.06 3.26 3i60A1 TYR 62 HB3 -1.11 -0.07 0.06 -0.04 2.98 1.82 3i60A1 TYR 62 HD2 -0.17 0.02 -0.02 -0.04 7.15 6.94 3i60A1 TYR 62 HE2 0.02 0.06 -0.03 -0.04 6.85 6.85 3i60A1 CYS 63 H -0.05 0.52 -0.15 -0.55 8.50 8.27 3i60A1 CYS 63 HA -0.07 -0.00 0.36 -0.75 4.58 4.12 3i60A1 CYS 63 HB2 -0.00 0.09 0.03 -0.04 2.97 3.05 3i60A1 CYS 63 HB3 0.04 -0.04 -0.14 -0.04 2.97 2.79 3i60A1 GLN 64 H -0.04 0.32 -0.34 -0.55 8.47 7.87 3i60A1 GLN 64 HA -0.05 -0.00 0.39 -0.75 4.36 3.95 3i60A1 GLN 64 HB2 -0.04 0.15 0.24 -0.04 2.15 2.45 3i60A1 GLN 64 HB3 -0.06 -0.03 -0.03 -0.04 2.02 1.86 3i60A1 GLN 64 HG2 -0.06 -0.02 -0.01 -0.04 2.40 2.27 3i60A1 GLN 64 HG3 -0.04 0.28 0.13 -0.04 2.39 2.72 3i60A1 GLN 64 HE21 -0.05 -0.05 -0.06 -0.04 6.97 6.77 3i60A1 GLN 64 HE22 -0.07 -0.00 -0.10 -0.04 7.69 7.47 3i60A1 ARG 65 H -0.01 0.55 -0.03 -0.55 8.46 8.42 3i60A1 ARG 65 HA 0.01 0.22 0.48 -0.75 4.34 4.29 3i60A1 ARG 65 HB2 0.06 -0.03 0.16 -0.04 1.90 2.06 3i60A1 ARG 65 HB3 0.10 -0.13 0.02 -0.04 1.80 1.74 3i60A1 ARG 65 HG2 0.04 0.25 -0.03 -0.04 1.67 1.89 3i60A1 ARG 65 HG3 0.03 0.03 0.06 -0.04 1.67 1.74 3i60A1 ARG 65 HD2 0.18 -0.09 -0.12 -0.04 3.22 3.15 3i60A1 ARG 65 HD3 0.14 -0.09 -0.13 -0.04 3.22 3.11 3i60A1 THR 66 H -0.02 0.62 -0.13 -0.55 8.28 8.20 3i60A1 THR 66 HA 0.04 -0.05 0.38 -0.75 4.39 4.01 3i60A1 THR 66 HB -0.05 0.11 0.13 -0.04 4.32 4.47 3i60A1 THR 66 HG23 -0.03 -0.01 -0.16 -0.04 1.22 0.98 3i60A1 LEU 67 H 0.00 0.61 -0.15 -0.55 8.37 8.29 3i60A1 LEU 67 HA 0.04 0.00 0.37 -0.75 4.35 4.01 3i60A1 LEU 67 HB2 0.03 0.01 0.07 -0.04 1.64 1.71 3i60A1 LEU 67 HB3 -0.01 0.09 0.11 -0.04 1.64 1.79 3i60A1 LEU 67 HG 0.07 -0.00 -0.18 -0.04 1.64 1.48 3i60A1 LEU 67 HD13 0.08 -0.02 -0.10 -0.04 0.93 0.85 3i60A1 LEU 67 HD23 0.01 -0.02 -0.06 -0.04 0.89 0.79 3i60A1 ARG 68 H 0.00 0.56 -0.20 -0.55 8.46 8.27 3i60A1 ARG 68 HA 0.19 -0.05 0.39 -0.75 4.34 4.12 3i60A1 ARG 68 HB2 -0.05 0.12 0.16 -0.04 1.90 2.09 3i60A1 ARG 68 HB3 0.04 0.16 0.16 -0.04 1.80 2.11 3i60A1 ARG 68 HG2 0.14 0.38 0.01 -0.04 1.67 2.16 3i60A1 ARG 68 HG3 0.46 -0.15 0.05 -0.04 1.67 1.98 3i60A1 ARG 68 HD2 0.05 -0.09 0.06 -0.04 3.22 3.21 3i60A1 ARG 68 HD3 -0.49 -0.14 0.02 -0.04 3.22 2.57 3i60A1 GLU 69 H 0.03 0.73 -0.06 -0.55 8.60 8.76 3i60A1 GLU 69 HA 0.01 0.07 0.34 -0.75 4.29 3.95 3i60A1 GLU 69 HB2 0.04 -0.04 -0.26 -0.04 2.09 1.79 3i60A1 GLU 69 HB3 0.02 0.11 0.05 -0.04 1.99 2.13 3i60A1 GLU 69 HG2 -0.02 0.08 -0.35 -0.04 2.34 2.01 3i60A1 GLU 69 HG3 0.05 -0.12 -0.09 -0.04 2.34 2.13 3i60A1 ILE 70 H 0.01 0.54 -0.19 -0.55 8.25 8.07 3i60A1 ILE 70 HA -0.03 -0.01 0.34 -0.75 4.18 3.72 3i60A1 ILE 70 HB 0.03 0.08 0.11 -0.04 1.89 2.07 3i60A1 ILE 70 HG12 -0.04 -0.06 -0.06 -0.04 1.49 1.30 3i60A1 ILE 70 HG13 -0.01 0.06 0.03 -0.04 1.21 1.25 3i60A1 ILE 70 HG23 0.03 -0.01 -0.20 -0.04 0.93 0.71 3i60A1 ILE 70 HD13 0.00 -0.02 -0.13 -0.04 0.88 0.69 3i60A1 LYS 71 H 0.09 0.61 -0.08 -0.55 8.42 8.48 3i60A1 LYS 71 HA 0.11 0.03 0.35 -0.75 4.32 4.06 3i60A1 LYS 71 HB2 0.37 0.08 0.10 -0.04 1.87 2.38 3i60A1 LYS 71 HB3 0.39 -0.04 0.01 -0.04 1.79 2.11 3i60A1 LYS 71 HG2 0.16 -0.04 0.03 -0.04 1.46 1.58 3i60A1 LYS 71 HG3 0.18 0.23 0.08 -0.04 1.46 1.91 3i60A1 LYS 71 HD2 0.22 -0.07 -0.02 -0.04 1.69 1.78 3i60A1 LYS 71 HD3 0.56 -0.01 -0.01 -0.04 1.68 2.18 3i60A1 LYS 71 HE2 0.17 0.06 0.03 -0.04 2.99 3.20 3i60A1 LYS 71 HE3 0.13 -0.00 0.02 -0.04 2.99 3.09 3i60A1 ILE 72 H -0.13 0.46 -0.28 -0.55 8.25 7.74 3i60A1 ILE 72 HA -0.91 0.03 0.47 -0.75 4.18 3.02 3i60A1 ILE 72 HB -0.36 0.15 0.15 -0.04 1.89 1.78 3i60A1 ILE 72 HG12 -1.34 -0.06 -0.07 -0.04 1.49 -0.02 3i60A1 ILE 72 HG13 -0.53 -0.03 -0.02 -0.04 1.21 0.59 3i60A1 ILE 72 HG23 -1.20 -0.02 -0.16 -0.04 0.93 -0.50 3i60A1 ILE 72 HD13 -0.05 -0.01 -0.19 -0.04 0.88 0.59 3i60A1 LEU 73 H -0.28 0.61 0.00 -0.55 8.37 8.16 3i60A1 LEU 73 HA -0.36 0.03 0.40 -0.75 4.35 3.67 3i60A1 LEU 73 HB2 -0.17 0.19 0.10 -0.04 1.64 1.72 3i60A1 LEU 73 HB3 -0.13 -0.07 -0.10 -0.04 1.64 1.29 3i60A1 LEU 73 HG -0.23 0.30 0.03 -0.04 1.64 1.70 3i60A1 LEU 73 HD13 -0.93 -0.02 -0.07 -0.04 0.93 -0.13 3i60A1 LEU 73 HD23 -0.06 -0.05 -0.12 -0.04 0.89 0.61 3i60A1 LEU 74 H -0.07 0.45 -0.25 -0.55 8.37 7.95 3i60A1 LEU 74 HA 0.05 0.03 0.63 -0.75 4.35 4.30 3i60A1 LEU 74 HB2 0.04 0.23 0.14 -0.04 1.64 2.01 3i60A1 LEU 74 HB3 0.07 -0.03 -0.06 -0.04 1.64 1.59 3i60A1 LEU 74 HG 0.15 -0.03 0.01 -0.04 1.64 1.73 3i60A1 LEU 74 HD13 0.17 -0.01 -0.03 -0.04 0.93 1.02 3i60A1 LEU 74 HD23 0.16 -0.00 -0.08 -0.04 0.89 0.92 3i60A1 ARG 75 H -0.06 0.22 -0.39 -0.55 8.46 7.67 3i60A1 ARG 75 HA 0.13 0.06 0.56 -0.75 4.34 4.33 3i60A1 ARG 75 HB2 0.25 0.00 0.10 -0.04 1.90 2.22 3i60A1 ARG 75 HB3 0.09 0.04 0.21 -0.04 1.80 2.10 3i60A1 ARG 75 HG2 0.45 -0.04 -0.07 -0.04 1.67 1.98 3i60A1 ARG 75 HG3 0.26 -0.03 0.03 -0.04 1.67 1.88 3i60A1 ARG 75 HD2 0.29 -0.03 0.01 -0.04 3.22 3.45 3i60A1 ARG 75 HD3 0.17 -0.03 -0.01 -0.04 3.22 3.31 3i60A1 PHE 76 H 0.00 0.58 0.11 -0.55 8.34 8.48 3i60A1 PHE 76 HA 0.23 -0.04 0.36 -0.75 4.62 4.43 3i60A1 PHE 76 HB2 -0.15 0.05 0.03 -0.04 3.15 3.05 3i60A1 PHE 76 HB3 -0.04 -0.11 -0.10 -0.04 3.06 2.78 3i60A1 PHE 76 HD2 -0.05 -0.03 -0.15 -0.04 7.28 7.01 3i60A1 PHE 76 HE2 0.05 -0.03 -0.06 -0.04 7.38 7.30 3i60A1 PHE 76 HZ -0.07 0.00 -0.06 -0.04 7.32 7.15 3i60A1 ARG 77 H 0.04 0.12 0.01 -0.55 8.46 8.08 3i60A1 ARG 77 HA -0.01 0.13 0.65 -0.75 4.34 4.36 3i60A1 ARG 77 HB2 0.08 0.20 -0.19 -0.04 1.90 1.94 3i60A1 ARG 77 HB3 0.07 -0.06 0.15 -0.04 1.80 1.92 3i60A1 ARG 77 HG2 0.03 -0.02 -0.00 -0.04 1.67 1.63 3i60A1 ARG 77 HG3 -0.01 -0.08 -0.09 -0.04 1.67 1.45 3i60A1 ARG 77 HD2 -0.00 -0.08 -0.04 -0.04 3.22 3.06 3i60A1 ARG 77 HD3 -0.00 0.02 0.06 -0.04 3.22 3.25 3i60A1 HIS 78 H -0.09 0.37 0.03 -0.55 8.41 8.17 3i60A1 HIS 78 HA -0.26 0.12 0.67 -0.75 4.63 4.41 3i60A1 HIS 78 HB2 -1.28 0.07 -0.33 -0.04 3.26 1.69 3i60A1 HIS 78 HB3 -0.42 -0.04 -0.05 -0.04 3.20 2.65 3i60A1 HIS 78 HD2 -0.20 0.08 -0.03 -0.04 6.97 6.79 3i60A1 HIS 78 HE1 -0.09 0.02 -0.18 -0.04 7.75 7.46 3i60A1 GLU 79 H -0.55 0.19 0.14 -0.55 8.60 7.83 3i60A1 GLU 79 HA -0.08 0.14 0.45 -0.75 4.29 4.05 3i60A1 GLU 79 HB2 -0.08 0.02 0.08 -0.04 2.09 2.06 3i60A1 GLU 79 HB3 -0.11 0.01 0.10 -0.04 1.99 1.95 3i60A1 GLU 79 HG2 -0.41 -0.03 0.08 -0.04 2.34 1.94 3i60A1 GLU 79 HG3 -0.14 0.04 0.04 -0.04 2.34 2.23 3i60A1 ASN 80 H 0.29 0.02 -0.25 -0.55 8.53 8.04 3i60A1 ASN 80 HA 0.03 0.46 1.02 -0.75 4.76 5.51 3i60A1 ASN 80 HB2 0.19 -0.09 0.09 -0.04 2.88 3.03 3i60A1 ASN 80 HB3 0.01 0.04 0.23 -0.04 2.79 3.03 3i60A1 ASN 80 HD21 -0.03 -0.07 0.01 -0.04 7.03 6.90 3i60A1 ASN 80 HD22 -0.02 0.43 0.15 -0.04 7.74 8.26 3i60A1 ILE 81 H 0.08 0.42 -0.31 -0.55 8.25 7.89 3i60A1 ILE 81 HA 0.12 0.07 0.95 -0.75 4.18 4.57 3i60A1 ILE 81 HB -0.01 0.03 -0.03 -0.04 1.89 1.83 3i60A1 ILE 81 HG12 -0.04 -0.20 -0.24 -0.04 1.49 0.98 3i60A1 ILE 81 HG13 -0.13 0.01 -0.11 -0.04 1.21 0.94 3i60A1 ILE 81 HG23 0.01 0.08 -0.05 -0.04 0.93 0.93 3i60A1 ILE 81 HD13 0.16 0.07 -0.10 -0.04 0.88 0.97 3i60A1 ILE 82 H 0.11 0.50 0.14 -0.55 8.25 8.46 3i60A1 ILE 82 HA 0.01 0.03 0.57 -0.75 4.18 4.03 3i60A1 ILE 82 HB 0.05 -0.00 -0.07 -0.04 1.89 1.82 3i60A1 ILE 82 HG12 0.00 -0.07 -0.05 -0.04 1.49 1.33 3i60A1 ILE 82 HG13 -0.01 0.17 0.02 -0.04 1.21 1.35 3i60A1 ILE 82 HG23 0.08 0.00 -0.00 -0.04 0.93 0.97 3i60A1 ILE 82 HD13 -0.00 0.02 -0.03 -0.04 0.88 0.83 3i60A1 GLY 83 H -0.01 0.02 0.16 -0.55 8.43 8.05 3i60A1 GLY 83 HA2 -0.05 0.31 0.85 -0.51 4.01 4.61 3i60A1 GLY 83 HA3 -0.02 0.07 0.29 -0.51 4.01 3.84 3i60A1 ILE 84 H -0.01 0.38 0.08 -0.55 8.25 8.14 3i60A1 ILE 84 HA -0.06 0.19 0.92 -0.75 4.18 4.47 3i60A1 ILE 84 HB -0.03 0.07 0.02 -0.04 1.89 1.91 3i60A1 ILE 84 HG12 -0.09 -0.02 -0.16 -0.04 1.49 1.18 3i60A1 ILE 84 HG13 -0.07 -0.04 -0.35 -0.04 1.21 0.71 3i60A1 ILE 84 HG23 -0.25 -0.02 -0.14 -0.04 0.93 0.48 3i60A1 ILE 84 HD13 -0.08 0.01 -0.11 -0.04 0.88 0.66 3i60A1 ASN 85 H -0.05 0.75 0.35 -0.55 8.53 9.04 3i60A1 ASN 85 HA 0.07 0.17 0.77 -0.75 4.76 5.02 3i60A1 ASN 85 HB2 0.01 -0.01 -0.10 -0.04 2.88 2.74 3i60A1 ASN 85 HB3 0.05 -0.03 0.03 -0.04 2.79 2.80 3i60A1 ASN 85 HD21 0.00 -0.08 -0.14 -0.04 7.03 6.77 3i60A1 ASN 85 HD22 0.01 0.00 -0.24 -0.04 7.74 7.48 3i60A1 ASP 86 H -0.16 0.29 0.14 -0.55 8.40 8.12 3i60A1 ASP 86 HA -0.13 0.15 0.59 -0.75 4.63 4.48 3i60A1 ASP 86 HB2 0.10 0.10 -0.41 -0.04 2.71 2.45 3i60A1 ASP 86 HB3 -0.03 -0.12 -0.11 -0.04 2.70 2.40 3i60A1 ILE 87 H -0.67 0.30 0.16 -0.55 8.25 7.48 3i60A1 ILE 87 HA -0.25 0.24 0.92 -0.75 4.18 4.34 3i60A1 ILE 87 HB -0.50 0.03 0.09 -0.04 1.89 1.48 3i60A1 ILE 87 HG12 -0.33 -0.02 0.01 -0.04 1.49 1.11 3i60A1 ILE 87 HG13 -0.94 -0.12 -0.55 -0.04 1.21 -0.45 3i60A1 ILE 87 HG23 -0.11 0.00 -0.18 -0.04 0.93 0.59 3i60A1 ILE 87 HD13 -0.25 0.01 -0.10 -0.04 0.88 0.50 3i60A1 ILE 88 H -0.00 0.56 0.28 -0.55 8.25 8.54 3i60A1 ILE 88 HA 0.05 0.26 1.01 -0.75 4.18 4.74 3i60A1 ILE 88 HB 0.10 -0.07 0.07 -0.04 1.89 1.95 3i60A1 ILE 88 HG12 0.10 0.07 -0.06 -0.04 1.49 1.56 3i60A1 ILE 88 HG13 0.06 -0.06 -0.30 -0.04 1.21 0.87 3i60A1 ILE 88 HG23 0.09 -0.00 -0.09 -0.04 0.93 0.89 3i60A1 ILE 88 HD13 0.14 -0.03 -0.13 -0.04 0.88 0.82 3i60A1 ARG 89 H 0.07 0.36 0.18 -0.55 8.46 8.53 3i60A1 ARG 89 HA 0.14 0.04 0.39 -0.75 4.34 4.16 3i60A1 ARG 89 HB2 0.11 -0.01 0.06 -0.04 1.90 2.01 3i60A1 ARG 89 HB3 0.08 0.07 0.28 -0.04 1.80 2.19 3i60A1 ARG 89 HG2 0.01 -0.01 -0.31 -0.04 1.67 1.31 3i60A1 ARG 89 HG3 0.01 -0.03 -0.26 -0.04 1.67 1.34 3i60A1 ARG 89 HD2 0.03 -0.07 -0.15 -0.04 3.22 2.99 3i60A1 ARG 89 HD3 -0.14 0.04 -0.18 -0.04 3.22 2.90 3i60A1 ALA 90 H 0.12 0.09 0.14 -0.55 8.40 8.20 3i60A1 ALA 90 HA 0.10 0.07 0.31 -0.75 4.34 4.06 3i60A1 ALA 90 HB3 0.09 -0.00 -0.04 -0.04 1.41 1.42 3i60A1 PRO 91 HA 0.11 0.19 0.42 -0.51 4.44 4.65 3i60A1 PRO 91 HB2 0.09 -0.00 0.02 -0.04 2.28 2.35 3i60A1 PRO 91 HB3 0.07 0.06 0.15 -0.04 2.02 2.26 3i60A1 PRO 91 HG2 0.06 -0.04 0.08 -0.04 2.03 2.09 3i60A1 PRO 91 HG3 0.06 0.04 0.09 -0.04 2.03 2.18 3i60A1 PRO 91 HD2 0.07 0.03 0.22 -0.04 3.68 3.96 3i60A1 PRO 91 HD3 0.07 0.16 0.19 -0.04 3.65 4.03 3i60A1 THR 92 H 0.12 0.06 -0.30 -0.55 8.28 7.61 3i60A1 THR 92 HA 0.11 0.28 0.92 -0.75 4.39 4.95 3i60A1 THR 92 HB -0.06 -0.06 0.09 -0.04 4.32 4.25 3i60A1 THR 92 HG23 0.04 0.04 -0.12 -0.04 1.22 1.13 3i60A1 ILE 93 H -0.51 0.20 0.13 -0.55 8.25 7.52 3i60A1 ILE 93 HA -0.41 0.17 0.43 -0.75 4.18 3.61 3i60A1 ILE 93 HB -1.20 0.06 0.10 -0.04 1.89 0.81 3i60A1 ILE 93 HG12 -0.30 0.00 -0.10 -0.04 1.49 1.05 3i60A1 ILE 93 HG13 -0.37 0.05 0.03 -0.04 1.21 0.88 3i60A1 ILE 93 HG23 -0.30 0.00 -0.03 -0.04 0.93 0.57 3i60A1 ILE 93 HD13 -0.27 -0.00 -0.09 -0.04 0.88 0.48 3i60A1 GLU 94 H -0.16 0.05 -0.11 -0.55 8.60 7.83 3i60A1 GLU 94 HA -0.12 0.12 0.45 -0.75 4.29 3.99 3i60A1 GLU 94 HB2 -0.06 -0.05 0.01 -0.04 2.09 1.95 3i60A1 GLU 94 HB3 -0.06 0.05 -0.02 -0.04 1.99 1.92 3i60A1 GLU 94 HG2 -0.06 0.03 0.01 -0.04 2.34 2.28 3i60A1 GLU 94 HG3 -0.09 0.03 0.02 -0.04 2.34 2.26 3i60A1 GLN 95 H -0.05 0.09 -0.47 -0.55 8.47 7.49 3i60A1 GLN 95 HA -0.01 0.14 0.47 -0.75 4.36 4.20 3i60A1 GLN 95 HB2 0.03 0.02 0.03 -0.04 2.15 2.19 3i60A1 GLN 95 HB3 0.03 -0.02 0.08 -0.04 2.02 2.08 3i60A1 GLN 95 HG2 0.01 0.05 -0.03 -0.04 2.40 2.39 3i60A1 GLN 95 HG3 -0.00 -0.08 -0.07 -0.04 2.39 2.20 3i60A1 GLN 95 HE21 0.02 0.02 0.01 -0.04 6.97 6.98 3i60A1 GLN 95 HE22 0.02 0.01 -0.01 -0.04 7.69 7.67 3i60A1 MET 96 H -0.07 0.25 -0.35 -0.55 8.47 7.75 3i60A1 MET 96 HA 0.07 -0.08 0.57 -0.75 4.52 4.32 3i60A1 MET 96 HB2 0.13 0.10 0.05 -0.04 2.15 2.39 3i60A1 MET 96 HB3 -0.15 0.08 0.18 -0.04 2.03 2.10 3i60A1 MET 96 HG2 0.01 -0.05 -0.24 -0.04 2.63 2.31 3i60A1 MET 96 HG3 0.18 0.03 0.02 -0.04 2.56 2.74 3i60A1 MET 96 HE3 -0.03 -0.03 -0.07 -0.04 2.10 1.93 3i60A1 LYS 97 H 0.10 0.14 0.37 -0.55 8.42 8.47 3i60A1 LYS 97 HA 0.30 0.16 0.85 -0.75 4.32 4.87 3i60A1 LYS 97 HB2 0.07 -0.00 0.06 -0.04 1.87 1.96 3i60A1 LYS 97 HB3 0.10 -0.05 0.11 -0.04 1.79 1.90 3i60A1 LYS 97 HG2 0.03 0.14 -0.23 -0.04 1.46 1.36 3i60A1 LYS 97 HG3 0.03 -0.04 -0.03 -0.04 1.46 1.38 3i60A1 LYS 97 HD2 0.03 -0.08 -0.03 -0.04 1.69 1.57 3i60A1 LYS 97 HD3 0.03 0.09 -0.06 -0.04 1.68 1.70 3i60A1 LYS 97 HE2 -0.05 0.05 -0.40 -0.04 2.99 2.55 3i60A1 LYS 97 HE3 -0.02 -0.07 -0.06 -0.04 2.99 2.80 3i60A1 ASP 98 H 0.15 0.09 0.25 -0.55 8.40 8.34 3i60A1 ASP 98 HA -0.14 0.30 1.00 -0.75 4.63 5.04 3i60A1 ASP 98 HB2 -0.15 -0.08 0.02 -0.04 2.71 2.46 3i60A1 ASP 98 HB3 -0.57 0.05 -0.02 -0.04 2.70 2.12 3i60A1 VAL 99 H -0.30 0.63 0.38 -0.55 8.24 8.39 3i60A1 VAL 99 HA -0.10 0.26 0.91 -0.75 4.13 4.45 3i60A1 VAL 99 HB -0.11 -0.07 0.08 -0.04 2.12 1.97 3i60A1 VAL 99 HG13 -0.04 0.02 -0.16 -0.04 0.97 0.75 3i60A1 VAL 99 HG23 0.15 -0.01 -0.22 -0.04 0.95 0.82 3i60A1 TYR 100 H 0.02 0.77 0.29 -0.55 8.29 8.82 3i60A1 TYR 100 HA -0.11 0.32 1.07 -0.75 4.56 5.09 3i60A1 TYR 100 HB2 -0.08 -0.05 0.12 -0.04 3.06 3.01 3i60A1 TYR 100 HB3 -0.09 -0.02 -0.15 -0.04 2.98 2.69 3i60A1 TYR 100 HD2 -0.14 0.07 -0.23 -0.04 7.15 6.81 3i60A1 TYR 100 HE2 -0.71 0.05 -0.13 -0.04 6.85 6.02 3i60A1 ILE 101 H -0.03 0.84 0.35 -0.55 8.25 8.86 3i60A1 ILE 101 HA -0.14 0.21 1.02 -0.75 4.18 4.52 3i60A1 ILE 101 HB -0.07 -0.06 0.18 -0.04 1.89 1.90 3i60A1 ILE 101 HG12 -0.12 0.06 -0.09 -0.04 1.49 1.30 3i60A1 ILE 101 HG13 -0.09 -0.05 -0.29 -0.04 1.21 0.73 3i60A1 ILE 101 HG23 -0.10 0.01 -0.16 -0.04 0.93 0.64 3i60A1 ILE 101 HD13 -0.06 -0.01 -0.10 -0.04 0.88 0.66 3i60A1 VAL 102 H -0.17 0.77 0.37 -0.55 8.24 8.66 3i60A1 VAL 102 HA -0.15 0.24 0.82 -0.75 4.13 4.28 3i60A1 VAL 102 HB -0.14 -0.06 0.10 -0.04 2.12 1.99 3i60A1 VAL 102 HG13 -0.18 -0.01 -0.18 -0.04 0.97 0.56 3i60A1 VAL 102 HG23 -0.41 0.00 -0.20 -0.04 0.95 0.30 3i60A1 GLN 103 H -0.08 0.77 0.43 -0.55 8.47 9.04 3i60A1 GLN 103 HA -0.04 0.10 0.94 -0.75 4.36 4.60 3i60A1 GLN 103 HB2 -0.04 -0.03 -0.02 -0.04 2.15 2.02 3i60A1 GLN 103 HB3 -0.03 0.01 0.09 -0.04 2.02 2.06 3i60A1 GLN 103 HG2 -0.06 0.22 -0.10 -0.04 2.40 2.42 3i60A1 GLN 103 HG3 -0.06 -0.05 -0.50 -0.04 2.39 1.74 3i60A1 GLN 103 HE21 -0.01 -0.16 -0.16 -0.04 6.97 6.61 3i60A1 GLN 103 HE22 -0.04 0.29 -0.31 -0.04 7.69 7.60 3i60A1 ASP 104 H -0.02 0.14 0.13 -0.55 8.40 8.11 3i60A1 ASP 104 HA -0.00 0.03 0.49 -0.75 4.63 4.39 3i60A1 ASP 104 HB2 -0.01 -0.03 0.07 -0.04 2.71 2.70 3i60A1 ASP 104 HB3 -0.00 0.08 -0.05 -0.04 2.70 2.69 3i60A1 LEU 105 H -0.00 0.18 0.23 -0.55 8.37 8.22 3i60A1 LEU 105 HA -0.02 0.08 0.62 -0.75 4.35 4.28 3i60A1 LEU 105 HB2 -0.01 -0.13 -0.21 -0.04 1.64 1.25 3i60A1 LEU 105 HB3 0.01 0.05 0.06 -0.04 1.64 1.71 3i60A1 LEU 105 HG -0.01 0.09 -0.32 -0.04 1.64 1.36 3i60A1 LEU 105 HD13 -0.03 0.00 -0.10 -0.04 0.93 0.76 3i60A1 LEU 105 HD23 0.01 -0.02 -0.16 -0.04 0.89 0.68 3i60A1 MET 106 H -0.02 0.17 0.08 -0.55 8.47 8.15 3i60A1 MET 106 HA -0.00 0.11 0.78 -0.75 4.52 4.66 3i60A1 MET 106 HB2 -0.02 0.00 -0.06 -0.04 2.15 2.02 3i60A1 MET 106 HB3 -0.01 0.05 -0.17 -0.04 2.03 1.86 3i60A1 MET 106 HG2 -0.01 0.06 -0.32 -0.04 2.63 2.32 3i60A1 MET 106 HG3 -0.01 -0.01 -0.23 -0.04 2.56 2.27 3i60A1 MET 106 HE3 0.00 -0.04 -0.41 -0.04 2.10 1.61 3i60A1 GLU 107 H 0.00 0.15 0.34 -0.55 8.60 8.55 3i60A1 GLU 107 HA -0.00 0.06 0.44 -0.75 4.29 4.04 3i60A1 GLU 107 HB2 0.01 -0.24 0.16 -0.04 2.09 1.99 3i60A1 GLU 107 HB3 0.01 0.11 -0.03 -0.04 1.99 2.03 3i60A1 GLU 107 HG2 0.01 -0.01 -0.09 -0.04 2.34 2.21 3i60A1 GLU 107 HG3 0.00 0.04 -0.06 -0.04 2.34 2.29 3i60A1 THR 108 H -0.02 0.58 0.21 -0.55 8.28 8.50 3i60A1 THR 108 HA -0.02 0.13 0.53 -0.75 4.39 4.28 3i60A1 THR 108 HB -0.01 0.17 -0.17 -0.04 4.32 4.27 3i60A1 THR 108 HG23 -0.02 -0.01 -0.23 -0.04 1.22 0.92 3i60A1 ASP 109 H -0.01 0.10 0.20 -0.55 8.40 8.14 3i60A1 ASP 109 HA -0.06 0.33 1.15 -0.75 4.63 5.29 3i60A1 ASP 109 HB2 -0.04 0.09 0.23 -0.04 2.71 2.96 3i60A1 ASP 109 HB3 -0.03 0.09 -0.02 -0.04 2.70 2.70 3i60A1 LEU 110 H -0.10 0.75 0.38 -0.55 8.37 8.86 3i60A1 LEU 110 HA -0.18 0.06 0.43 -0.75 4.35 3.90 3i60A1 LEU 110 HB2 -0.23 0.08 0.13 -0.04 1.64 1.58 3i60A1 LEU 110 HB3 -0.12 -0.06 0.19 -0.04 1.64 1.62 3i60A1 LEU 110 HG -0.12 -0.02 -0.05 -0.04 1.64 1.41 3i60A1 LEU 110 HD13 -0.43 0.00 -0.03 -0.04 0.93 0.43 3i60A1 LEU 110 HD23 -0.17 -0.00 -0.07 -0.04 0.89 0.61 3i60A1 TYR 111 H 0.08 0.19 -0.44 -0.55 8.29 7.56 3i60A1 TYR 111 HA -0.01 0.10 0.29 -0.75 4.56 4.19 3i60A1 TYR 111 HB2 -0.04 -0.13 -0.07 -0.04 3.06 2.77 3i60A1 TYR 111 HB3 -0.04 -0.02 0.00 -0.04 2.98 2.88 3i60A1 TYR 111 HD2 0.03 -0.03 -0.06 -0.04 7.15 7.05 3i60A1 TYR 111 HE2 0.08 0.03 -0.05 -0.04 6.85 6.87 3i60A1 LYS 112 H 0.06 0.06 -0.26 -0.55 8.42 7.73 3i60A1 LYS 112 HA -0.18 0.11 0.33 -0.75 4.32 3.82 3i60A1 LYS 112 HB2 0.06 -0.03 0.08 -0.04 1.87 1.94 3i60A1 LYS 112 HB3 -0.00 0.02 0.11 -0.04 1.79 1.87 3i60A1 LYS 112 HG2 -0.02 0.03 -0.20 -0.04 1.46 1.23 3i60A1 LYS 112 HG3 -0.01 0.01 0.01 -0.04 1.46 1.43 3i60A1 LYS 112 HD2 0.01 -0.03 0.03 -0.04 1.69 1.65 3i60A1 LYS 112 HD3 0.01 0.03 -0.02 -0.04 1.68 1.65 3i60A1 LYS 112 HE2 0.03 0.05 0.02 -0.04 2.99 3.05 3i60A1 LYS 112 HE3 0.04 -0.00 0.00 -0.04 2.99 2.99 3i60A1 LEU 113 H -0.06 0.36 -0.14 -0.55 8.37 7.98 3i60A1 LEU 113 HA -0.04 0.04 0.37 -0.75 4.35 3.96 3i60A1 LEU 113 HB2 -0.08 0.05 0.04 -0.04 1.64 1.61 3i60A1 LEU 113 HB3 -0.11 0.05 0.03 -0.04 1.64 1.57 3i60A1 LEU 113 HG -0.01 0.00 -0.08 -0.04 1.64 1.51 3i60A1 LEU 113 HD13 -0.00 -0.01 -0.08 -0.04 0.93 0.81 3i60A1 LEU 113 HD23 0.00 -0.00 -0.12 -0.04 0.89 0.72 3i60A1 LEU 114 H -0.08 0.53 -0.18 -0.55 8.37 8.09 3i60A1 LEU 114 HA -0.03 0.16 0.53 -0.75 4.35 4.25 3i60A1 LEU 114 HB2 -0.06 0.08 0.06 -0.04 1.64 1.67 3i60A1 LEU 114 HB3 -0.02 0.02 0.02 -0.04 1.64 1.63 3i60A1 LEU 114 HG -0.06 0.04 0.04 -0.04 1.64 1.61 3i60A1 LEU 114 HD13 0.01 -0.03 -0.18 -0.04 0.93 0.69 3i60A1 LEU 114 HD23 -0.01 0.01 0.01 -0.04 0.89 0.85 3i60A1 LYS 115 H -0.14 0.16 -0.51 -0.55 8.42 7.38 3i60A1 LYS 115 HA -0.10 0.08 0.47 -0.75 4.32 4.02 3i60A1 LYS 115 HB2 -0.32 0.06 0.18 -0.04 1.87 1.75 3i60A1 LYS 115 HB3 -0.13 0.04 0.04 -0.04 1.79 1.70 3i60A1 LYS 115 HG2 -0.09 -0.02 0.06 -0.04 1.46 1.37 3i60A1 LYS 115 HG3 -0.16 0.01 0.07 -0.04 1.46 1.34 3i60A1 LYS 115 HD2 -0.57 -0.03 -0.05 -0.04 1.69 1.00 3i60A1 LYS 115 HD3 -0.14 -0.03 -0.01 -0.04 1.68 1.45 3i60A1 LYS 115 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.93 3i60A1 LYS 115 HE3 -0.03 0.02 0.00 -0.04 2.99 2.94 3i60A1 THR 116 H -0.04 0.24 -0.26 -0.55 8.28 7.66 3i60A1 THR 116 HA -0.01 0.20 0.85 -0.75 4.39 4.67 3i60A1 THR 116 HB -0.00 -0.07 0.14 -0.04 4.32 4.35 3i60A1 THR 116 HG23 -0.02 -0.00 -0.18 -0.04 1.22 0.97 3i60A1 GLN 117 H -0.00 0.45 0.12 -0.55 8.47 8.48 3i60A1 GLN 117 HA 0.04 0.11 1.01 -0.75 4.36 4.76 3i60A1 GLN 117 HB2 0.01 0.07 0.01 -0.04 2.15 2.19 3i60A1 GLN 117 HB3 0.02 -0.02 -0.05 -0.04 2.02 1.93 3i60A1 GLN 117 HG2 -0.00 -0.07 -0.34 -0.04 2.40 1.95 3i60A1 GLN 117 HG3 0.00 -0.09 -0.06 -0.04 2.39 2.21 3i60A1 GLN 117 HE21 0.01 -0.04 -0.02 -0.04 6.97 6.87 3i60A1 GLN 117 HE22 0.00 -0.03 -0.08 -0.04 7.69 7.53 3i60A1 HIS 118 H 0.13 0.12 0.12 -0.55 8.41 8.23 3i60A1 HIS 118 HA 0.03 0.20 0.79 -0.75 4.63 4.89 3i60A1 HIS 118 HB2 0.02 0.03 0.05 -0.04 3.26 3.32 3i60A1 HIS 118 HB3 0.02 -0.08 0.09 -0.04 3.20 3.18 3i60A1 HIS 118 HD2 0.03 0.07 -0.03 -0.04 6.97 6.99 3i60A1 HIS 118 HE1 0.04 -0.11 -0.05 -0.04 7.75 7.59 3i60A1 LEU 119 H -0.29 0.30 0.09 -0.55 8.37 7.92 3i60A1 LEU 119 HA -0.02 0.07 0.80 -0.75 4.35 4.45 3i60A1 LEU 119 HB2 -0.04 0.14 0.09 -0.04 1.64 1.79 3i60A1 LEU 119 HB3 0.09 -0.09 -0.01 -0.04 1.64 1.59 3i60A1 LEU 119 HG 0.03 0.12 -0.11 -0.04 1.64 1.63 3i60A1 LEU 119 HD13 0.22 -0.01 -0.07 -0.04 0.93 1.03 3i60A1 LEU 119 HD23 0.17 -0.01 -0.19 -0.04 0.89 0.81 3i60A1 SER 120 H 0.11 0.11 0.15 -0.55 8.46 8.29 3i60A1 SER 120 HA 0.08 0.20 0.69 -0.75 4.49 4.71 3i60A1 SER 120 HB2 0.10 -0.05 0.17 -0.04 3.95 4.13 3i60A1 SER 120 HB3 0.16 0.14 0.14 -0.04 3.93 4.33 3i60A1 ASN 121 H 0.06 0.21 0.17 -0.55 8.53 8.43 3i60A1 ASN 121 HA 0.07 0.15 0.43 -0.75 4.76 4.66 3i60A1 ASN 121 HB2 0.07 0.10 0.19 -0.04 2.88 3.20 3i60A1 ASN 121 HB3 0.06 -0.01 0.16 -0.04 2.79 2.96 3i60A1 ASN 121 HD21 0.24 -0.02 0.03 -0.04 7.03 7.24 3i60A1 ASN 121 HD22 0.09 0.03 0.02 -0.04 7.74 7.84 3i60A1 ASP 122 H -0.01 0.10 -0.11 -0.55 8.40 7.84 3i60A1 ASP 122 HA -0.02 0.10 0.37 -0.75 4.63 4.32 3i60A1 ASP 122 HB2 -0.08 0.01 0.09 -0.04 2.71 2.69 3i60A1 ASP 122 HB3 -0.24 -0.01 0.02 -0.04 2.70 2.43 3i60A1 HIS 123 H -0.05 0.08 -0.33 -0.55 8.41 7.57 3i60A1 HIS 123 HA -0.26 0.11 0.58 -0.75 4.63 4.30 3i60A1 HIS 123 HB2 -0.08 0.03 0.10 -0.04 3.26 3.28 3i60A1 HIS 123 HB3 -0.36 0.06 -0.01 -0.04 3.20 2.85 3i60A1 HIS 123 HD2 -0.19 0.06 -0.01 -0.04 6.97 6.78 3i60A1 HIS 123 HE1 -0.01 0.02 0.00 -0.04 7.75 7.72 3i60A1 ILE 124 H 0.06 0.52 -0.12 -0.55 8.25 8.16 3i60A1 ILE 124 HA 0.18 0.04 0.45 -0.75 4.18 4.10 3i60A1 ILE 124 HB 0.12 0.05 0.16 -0.04 1.89 2.17 3i60A1 ILE 124 HG12 0.05 -0.00 -0.06 -0.04 1.49 1.44 3i60A1 ILE 124 HG13 0.05 0.11 -0.09 -0.04 1.21 1.25 3i60A1 ILE 124 HG23 0.06 -0.01 -0.12 -0.04 0.93 0.82 3i60A1 ILE 124 HD13 -0.03 0.01 -0.17 -0.04 0.88 0.65 3i60A1 CYS 125 H 0.08 0.76 -0.03 -0.55 8.50 8.76 3i60A1 CYS 125 HA 0.02 -0.01 0.36 -0.75 4.58 4.20 3i60A1 CYS 125 HB2 -0.08 0.05 0.13 -0.04 2.97 3.03 3i60A1 CYS 125 HB3 0.01 0.11 0.15 -0.04 2.97 3.20 3i60A1 TYR 126 H -0.07 0.51 -0.24 -0.55 8.29 7.94 3i60A1 TYR 126 HA -0.68 0.02 0.42 -0.75 4.56 3.56 3i60A1 TYR 126 HB2 -0.53 0.02 0.11 -0.04 3.06 2.62 3i60A1 TYR 126 HB3 -0.44 0.02 0.17 -0.04 2.98 2.68 3i60A1 TYR 126 HD2 -0.70 -0.02 0.02 -0.04 7.15 6.41 3i60A1 TYR 126 HE2 -0.03 0.05 -0.02 -0.04 6.85 6.80 3i60A1 PHE 127 H -0.18 0.69 -0.08 -0.55 8.34 8.22 3i60A1 PHE 127 HA -0.26 0.04 0.45 -0.75 4.62 4.10 3i60A1 PHE 127 HB2 -0.04 0.08 0.16 -0.04 3.15 3.31 3i60A1 PHE 127 HB3 -0.08 -0.08 -0.05 -0.04 3.06 2.81 3i60A1 PHE 127 HD2 -0.08 -0.01 -0.07 -0.04 7.28 7.07 3i60A1 PHE 127 HE2 -0.01 0.02 -0.08 -0.04 7.38 7.27 3i60A1 PHE 127 HZ -0.01 -0.03 -0.07 -0.04 7.32 7.18 3i60A1 LEU 128 H 0.10 0.75 -0.05 -0.55 8.37 8.62 3i60A1 LEU 128 HA 0.01 -0.04 0.39 -0.75 4.35 3.96 3i60A1 LEU 128 HB2 0.09 0.02 0.06 -0.04 1.64 1.77 3i60A1 LEU 128 HB3 0.12 0.14 0.08 -0.04 1.64 1.94 3i60A1 LEU 128 HG 0.06 -0.00 -0.24 -0.04 1.64 1.42 3i60A1 LEU 128 HD13 -0.04 -0.02 -0.02 -0.04 0.93 0.81 3i60A1 LEU 128 HD23 0.12 -0.01 -0.09 -0.04 0.89 0.87 3i60A1 TYR 129 H 0.07 0.57 -0.22 -0.55 8.29 8.16 3i60A1 TYR 129 HA -0.01 -0.01 0.40 -0.75 4.56 4.19 3i60A1 TYR 129 HB2 -0.03 0.01 0.10 -0.04 3.06 3.10 3i60A1 TYR 129 HB3 -0.20 0.16 0.16 -0.04 2.98 3.05 3i60A1 TYR 129 HD2 0.05 0.01 -0.04 -0.04 7.15 7.12 3i60A1 TYR 129 HE2 0.18 -0.04 -0.07 -0.04 6.85 6.88 3i60A1 GLN 130 H -0.15 0.50 -0.15 -0.55 8.47 8.13 3i60A1 GLN 130 HA -0.32 0.01 0.38 -0.75 4.36 3.69 3i60A1 GLN 130 HB2 -0.16 0.07 0.14 -0.04 2.15 2.16 3i60A1 GLN 130 HB3 -0.14 -0.01 0.11 -0.04 2.02 1.93 3i60A1 GLN 130 HG2 -0.20 -0.05 0.06 -0.04 2.40 2.17 3i60A1 GLN 130 HG3 -0.60 0.37 0.18 -0.04 2.39 2.29 3i60A1 GLN 130 HE21 -0.42 0.38 0.12 -0.04 6.97 7.02 3i60A1 GLN 130 HE22 -1.29 0.03 -0.14 -0.04 7.69 6.25 3i60A1 ILE 131 H -0.10 0.58 -0.12 -0.55 8.25 8.05 3i60A1 ILE 131 HA -0.11 0.03 0.46 -0.75 4.18 3.81 3i60A1 ILE 131 HB -0.08 0.10 0.13 -0.04 1.89 2.00 3i60A1 ILE 131 HG12 -0.11 -0.07 -0.05 -0.04 1.49 1.22 3i60A1 ILE 131 HG13 -0.07 0.23 0.03 -0.04 1.21 1.36 3i60A1 ILE 131 HG23 -0.12 -0.03 -0.14 -0.04 0.93 0.60 3i60A1 ILE 131 HD13 -0.07 -0.03 -0.15 -0.04 0.88 0.59 3i60A1 LEU 132 H -0.11 0.64 -0.05 -0.55 8.37 8.31 3i60A1 LEU 132 HA -0.12 -0.06 0.41 -0.75 4.35 3.82 3i60A1 LEU 132 HB2 -0.08 0.18 0.13 -0.04 1.64 1.83 3i60A1 LEU 132 HB3 -0.06 -0.05 -0.02 -0.04 1.64 1.48 3i60A1 LEU 132 HG -0.05 0.13 0.04 -0.04 1.64 1.72 3i60A1 LEU 132 HD13 -0.00 -0.02 -0.18 -0.04 0.93 0.69 3i60A1 LEU 132 HD23 -0.06 -0.03 -0.05 -0.04 0.89 0.70 3i60A1 ARG 133 H -0.31 0.74 -0.11 -0.55 8.46 8.22 3i60A1 ARG 133 HA -0.13 -0.01 0.39 -0.75 4.34 3.84 3i60A1 ARG 133 HB2 -0.73 0.08 0.11 -0.04 1.90 1.32 3i60A1 ARG 133 HB3 -0.26 0.06 0.17 -0.04 1.80 1.72 3i60A1 ARG 133 HG2 0.17 -0.07 -0.13 -0.04 1.67 1.61 3i60A1 ARG 133 HG3 0.01 -0.03 0.08 -0.04 1.67 1.69 3i60A1 ARG 133 HD2 -0.12 0.02 0.03 -0.04 3.22 3.11 3i60A1 ARG 133 HD3 -0.10 -0.04 0.02 -0.04 3.22 3.06 3i60A1 GLY 134 H -0.12 0.61 -0.13 -0.55 8.43 8.25 3i60A1 GLY 134 HA2 -0.44 -0.04 0.45 -0.51 4.01 3.47 3i60A1 GLY 134 HA3 -0.10 0.13 0.31 -0.51 4.01 3.84 3i60A1 LEU 135 H -0.14 0.67 -0.11 -0.55 8.37 8.24 3i60A1 LEU 135 HA -0.16 -0.04 0.44 -0.75 4.35 3.84 3i60A1 LEU 135 HB2 -0.19 0.08 0.07 -0.04 1.64 1.57 3i60A1 LEU 135 HB3 -0.21 0.09 0.10 -0.04 1.64 1.58 3i60A1 LEU 135 HG -0.90 -0.04 -0.00 -0.04 1.64 0.66 3i60A1 LEU 135 HD13 -0.25 -0.02 0.08 -0.04 0.93 0.69 3i60A1 LEU 135 HD23 -0.20 -0.01 -0.09 -0.04 0.89 0.54 3i60A1 LYS 136 H -0.12 0.67 -0.21 -0.55 8.42 8.21 3i60A1 LYS 136 HA -0.03 -0.12 0.50 -0.75 4.32 3.92 3i60A1 LYS 136 HB2 -0.02 -0.05 0.05 -0.04 1.87 1.82 3i60A1 LYS 136 HB3 -0.03 0.35 0.18 -0.04 1.79 2.25 3i60A1 LYS 136 HG2 0.02 0.07 -0.25 -0.04 1.46 1.26 3i60A1 LYS 136 HG3 0.03 -0.16 -0.02 -0.04 1.46 1.27 3i60A1 LYS 136 HD2 0.09 -0.10 -0.04 -0.04 1.69 1.59 3i60A1 LYS 136 HD3 0.08 0.09 -0.05 -0.04 1.68 1.77 3i60A1 LYS 136 HE2 0.08 0.28 -0.06 -0.04 2.99 3.25 3i60A1 LYS 136 HE3 0.08 -0.14 -0.04 -0.04 2.99 2.85 3i60A1 TYR 137 H -0.11 0.44 -0.10 -0.55 8.29 7.97 3i60A1 TYR 137 HA -0.17 -0.03 0.53 -0.75 4.56 4.14 3i60A1 TYR 137 HB2 -0.57 0.15 0.12 -0.04 3.06 2.71 3i60A1 TYR 137 HB3 -0.59 0.10 0.14 -0.04 2.98 2.60 3i60A1 TYR 137 HD2 -0.34 0.09 -0.36 -0.04 7.15 6.49 3i60A1 TYR 137 HE2 -0.54 0.06 -0.16 -0.04 6.85 6.16 3i60A1 ILE 138 H -0.04 0.55 -0.06 -0.55 8.25 8.15 3i60A1 ILE 138 HA -0.17 0.02 0.36 -0.75 4.18 3.64 3i60A1 ILE 138 HB 0.05 0.02 0.17 -0.04 1.89 2.08 3i60A1 ILE 138 HG12 0.49 -0.02 -0.05 -0.04 1.49 1.87 3i60A1 ILE 138 HG13 0.10 0.24 0.04 -0.04 1.21 1.55 3i60A1 ILE 138 HG23 0.39 0.06 -0.20 -0.04 0.93 1.15 3i60A1 ILE 138 HD13 0.24 -0.04 -0.11 -0.04 0.88 0.92 3i60A1 HIS 139 H 0.05 0.71 -0.02 -0.55 8.41 8.60 3i60A1 HIS 139 HA 0.02 0.07 0.56 -0.75 4.63 4.53 3i60A1 HIS 139 HB2 -0.01 0.17 0.24 -0.04 3.26 3.63 3i60A1 HIS 139 HB3 0.01 -0.10 0.08 -0.04 3.20 3.15 3i60A1 HIS 139 HD2 0.06 0.28 0.09 -0.04 6.97 7.36 3i60A1 HIS 139 HE1 0.04 0.03 0.07 -0.04 7.75 7.85 3i60A1 SER 140 H -0.03 0.68 -0.07 -0.55 8.46 8.49 3i60A1 SER 140 HA -0.02 0.00 0.57 -0.75 4.49 4.29 3i60A1 SER 140 HB2 -0.08 -0.01 0.13 -0.04 3.95 3.95 3i60A1 SER 140 HB3 -0.07 0.15 0.21 -0.04 3.93 4.17 3i60A1 ALA 141 H -0.26 0.56 -0.12 -0.55 8.40 8.04 3i60A1 ALA 141 HA -0.08 0.08 0.51 -0.75 4.34 4.10 3i60A1 ALA 141 HB3 -0.18 0.02 0.14 -0.04 1.41 1.35 3i60A1 ASN 142 H 0.01 0.36 -0.87 -0.55 8.53 7.49 3i60A1 ASN 142 HA 0.03 0.06 0.37 -0.75 4.76 4.46 3i60A1 ASN 142 HB2 0.03 0.03 -0.16 -0.04 2.88 2.74 3i60A1 ASN 142 HB3 0.08 0.11 0.41 -0.04 2.79 3.34 3i60A1 ASN 142 HD21 0.03 0.02 0.09 -0.04 7.03 7.13 3i60A1 ASN 142 HD22 0.05 0.08 0.16 -0.04 7.74 7.99 3i60A1 VAL 143 H 0.13 0.50 0.03 -0.55 8.24 8.35 3i60A1 VAL 143 HA 0.14 0.22 1.01 -0.75 4.13 4.75 3i60A1 VAL 143 HB 0.37 0.06 -0.02 -0.04 2.12 2.49 3i60A1 VAL 143 HG13 0.23 -0.03 -0.32 -0.04 0.97 0.81 3i60A1 VAL 143 HG23 0.12 0.02 -0.27 -0.04 0.95 0.78 3i60A1 LEU 144 H 0.14 0.82 0.23 -0.55 8.37 9.01 3i60A1 LEU 144 HA 0.21 0.03 0.79 -0.75 4.35 4.63 3i60A1 LEU 144 HB2 0.13 0.13 0.01 -0.04 1.64 1.87 3i60A1 LEU 144 HB3 0.15 -0.07 -0.17 -0.04 1.64 1.51 3i60A1 LEU 144 HG 0.09 -0.08 -0.14 -0.04 1.64 1.46 3i60A1 LEU 144 HD13 0.01 0.00 -0.26 -0.04 0.93 0.64 3i60A1 LEU 144 HD23 0.17 0.02 -0.16 -0.04 0.89 0.88 3i60A1 HIS 145 H 0.23 0.09 0.07 -0.55 8.41 8.26 3i60A1 HIS 145 HA -0.10 0.16 0.54 -0.75 4.63 4.48 3i60A1 HIS 145 HB2 -0.19 0.08 0.02 -0.04 3.26 3.13 3i60A1 HIS 145 HB3 -0.10 -0.12 0.09 -0.04 3.20 3.03 3i60A1 HIS 145 HD2 -1.61 -0.01 -0.16 -0.04 6.97 5.14 3i60A1 HIS 145 HE1 -0.19 0.13 -0.24 -0.04 7.75 7.40 3i60A1 ARG 146 H 0.16 0.01 -0.04 -0.55 8.46 8.04 3i60A1 ARG 146 HA 0.08 -0.03 0.20 -0.75 4.34 3.83 3i60A1 ARG 146 HB2 0.02 0.34 -0.25 -0.04 1.90 1.97 3i60A1 ARG 146 HB3 0.07 -0.01 0.01 -0.04 1.80 1.83 3i60A1 ARG 146 HG2 0.16 -0.13 -0.38 -0.04 1.67 1.28 3i60A1 ARG 146 HG3 0.11 0.08 -0.68 -0.04 1.67 1.14 3i60A1 ARG 146 HD2 0.47 -0.06 -1.60 -0.04 3.22 2.00 3i60A1 ARG 146 HD3 0.23 -0.01 -0.40 -0.04 3.22 3.00 3i60A1 ASP 147 H 0.47 0.02 -0.51 -0.55 8.40 7.83 3i60A1 ASP 147 HA 0.06 0.14 0.60 -0.75 4.63 4.68 3i60A1 ASP 147 HB2 -0.00 0.09 -0.30 -0.04 2.71 2.45 3i60A1 ASP 147 HB3 0.03 0.06 -0.03 -0.04 2.70 2.73 3i60A1 LEU 148 H 0.04 -0.01 -0.03 -0.55 8.37 7.83 3i60A1 LEU 148 HA -0.34 0.10 0.52 -0.75 4.35 3.88 3i60A1 LEU 148 HB2 -0.07 -0.06 0.13 -0.04 1.64 1.61 3i60A1 LEU 148 HB3 -0.13 0.06 -0.13 -0.04 1.64 1.39 3i60A1 LEU 148 HG -0.24 0.05 -0.02 -0.04 1.64 1.38 3i60A1 LEU 148 HD13 -0.83 -0.00 -0.02 -0.04 0.93 0.04 3i60A1 LEU 148 HD23 -0.11 0.00 0.04 -0.04 0.89 0.78 3i60A1 LYS 149 H -0.24 0.37 0.21 -0.55 8.42 8.21 3i60A1 LYS 149 HA -0.63 0.15 0.30 -0.75 4.32 3.39 3i60A1 LYS 149 HB2 -0.78 -0.04 0.08 -0.04 1.87 1.09 3i60A1 LYS 149 HB3 -0.58 0.21 -0.00 -0.04 1.79 1.37 3i60A1 LYS 149 HG2 -0.16 0.35 -0.29 -0.04 1.46 1.32 3i60A1 LYS 149 HG3 -0.22 -0.29 -0.21 -0.04 1.46 0.71 3i60A1 LYS 149 HD2 -0.19 -0.04 -0.07 -0.04 1.69 1.35 3i60A1 LYS 149 HD3 -0.09 0.01 -0.11 -0.04 1.68 1.44 3i60A1 LYS 149 HE2 -0.10 0.10 -0.08 -0.04 2.99 2.87 3i60A1 LYS 149 HE3 -0.15 -0.09 -0.12 -0.04 2.99 2.58 3i60A1 PRO 150 HA -0.13 0.14 0.30 -0.51 4.44 4.24 3i60A1 PRO 150 HB2 0.13 -0.02 -0.05 -0.04 2.28 2.30 3i60A1 PRO 150 HB3 -0.00 0.09 -0.23 -0.04 2.02 1.84 3i60A1 PRO 150 HG2 0.16 0.13 -0.02 -0.04 2.03 2.25 3i60A1 PRO 150 HG3 -0.02 0.10 -0.02 -0.04 2.03 2.05 3i60A1 PRO 150 HD2 -0.35 0.10 0.12 -0.04 3.68 3.51 3i60A1 PRO 150 HD3 -0.80 0.20 0.12 -0.04 3.65 3.13 3i60A1 SER 151 H -0.13 0.21 -0.15 -0.55 8.46 7.84 3i60A1 SER 151 HA -0.02 -0.05 0.46 -0.75 4.49 4.13 3i60A1 SER 151 HB2 -0.16 0.06 0.11 -0.04 3.95 3.92 3i60A1 SER 151 HB3 -0.29 -0.00 0.08 -0.04 3.93 3.67 3i60A1 ASN 152 H -0.14 0.27 -0.50 -0.55 8.53 7.62 3i60A1 ASN 152 HA -0.07 0.16 0.81 -0.75 4.76 4.90 3i60A1 ASN 152 HB2 -0.14 -0.01 0.15 -0.04 2.88 2.84 3i60A1 ASN 152 HB3 -0.07 0.13 0.23 -0.04 2.79 3.04 3i60A1 ASN 152 HD21 -0.03 -0.12 -0.02 -0.04 7.03 6.82 3i60A1 ASN 152 HD22 0.07 0.31 0.06 -0.04 7.74 8.14 3i60A1 LEU 153 H -0.10 0.32 -0.25 -0.55 8.37 7.79 3i60A1 LEU 153 HA -0.10 0.24 0.97 -0.75 4.35 4.71 3i60A1 LEU 153 HB2 -0.15 -0.05 0.22 -0.04 1.64 1.62 3i60A1 LEU 153 HB3 -0.16 0.04 -0.03 -0.04 1.64 1.45 3i60A1 LEU 153 HG -0.17 0.07 -0.25 -0.04 1.64 1.25 3i60A1 LEU 153 HD13 -0.15 -0.02 -0.15 -0.04 0.93 0.57 3i60A1 LEU 153 HD23 -0.16 0.04 -0.04 -0.04 0.89 0.70 3i60A1 LEU 154 H -0.06 0.76 0.29 -0.55 8.37 8.81 3i60A1 LEU 154 HA -0.06 0.15 0.81 -0.75 4.35 4.49 3i60A1 LEU 154 HB2 -0.02 -0.01 0.03 -0.04 1.64 1.60 3i60A1 LEU 154 HB3 -0.03 0.00 -0.03 -0.04 1.64 1.54 3i60A1 LEU 154 HG -0.03 -0.01 -0.19 -0.04 1.64 1.38 3i60A1 LEU 154 HD13 -0.01 -0.01 -0.14 -0.04 0.93 0.72 3i60A1 LEU 154 HD23 -0.04 -0.00 -0.20 -0.04 0.89 0.61 3i60A1 LEU 155 H -0.05 0.96 0.43 -0.55 8.37 9.17 3i60A1 LEU 155 HA -0.02 0.54 1.05 -0.75 4.35 5.17 3i60A1 LEU 155 HB2 -0.05 -0.08 -0.12 -0.04 1.64 1.35 3i60A1 LEU 155 HB3 0.01 0.03 -0.06 -0.04 1.64 1.58 3i60A1 LEU 155 HG -0.18 -0.06 -0.46 -0.04 1.64 0.90 3i60A1 LEU 155 HD13 -0.31 -0.01 -0.26 -0.04 0.93 0.32 3i60A1 LEU 155 HD23 -0.29 0.04 -0.27 -0.04 0.89 0.34 3i60A1 ASN 156 H 0.04 0.41 0.19 -0.55 8.53 8.62 3i60A1 ASN 156 HA 0.02 -0.00 1.05 -0.75 4.76 5.07 3i60A1 ASN 156 HB2 0.02 -0.01 0.23 -0.04 2.88 3.08 3i60A1 ASN 156 HB3 0.02 0.12 0.03 -0.04 2.79 2.92 3i60A1 ASN 156 HD21 0.04 0.04 -0.02 -0.04 7.03 7.04 3i60A1 ASN 156 HD22 0.02 0.11 -0.01 -0.04 7.74 7.82 3i60A1 THR 157 H 0.03 0.20 0.17 -0.55 8.28 8.13 3i60A1 THR 157 HA 0.03 0.11 0.29 -0.75 4.39 4.07 3i60A1 THR 157 HB 0.03 0.06 0.07 -0.04 4.32 4.43 3i60A1 THR 157 HG23 0.02 0.01 0.08 -0.04 1.22 1.30 3i60A1 THR 158 H 0.05 -0.00 -0.33 -0.55 8.28 7.45 3i60A1 THR 158 HA 0.07 0.23 0.68 -0.75 4.39 4.61 3i60A1 THR 158 HB 0.07 0.06 0.16 -0.04 4.32 4.56 3i60A1 THR 158 HG23 0.04 0.00 -0.05 -0.04 1.22 1.17 3i60A1 CYS 159 H 0.11 0.50 -0.37 -0.55 8.50 8.19 3i60A1 CYS 159 HA 0.23 0.06 0.24 -0.75 4.58 4.37 3i60A1 CYS 159 HB2 0.25 0.18 -0.07 -0.04 2.97 3.29 3i60A1 CYS 159 HB3 0.24 -0.04 0.12 -0.04 2.97 3.25 3i60A1 ASP 160 H 0.10 -0.13 -0.48 -0.55 8.40 7.34 3i60A1 ASP 160 HA 0.06 0.14 0.58 -0.75 4.63 4.66 3i60A1 ASP 160 HB2 0.05 -0.19 0.02 -0.04 2.71 2.55 3i60A1 ASP 160 HB3 0.03 0.13 -0.08 -0.04 2.70 2.74 3i60A1 LEU 161 H -0.02 0.20 0.19 -0.55 8.37 8.19 3i60A1 LEU 161 HA -0.03 0.46 1.02 -0.75 4.35 5.05 3i60A1 LEU 161 HB2 0.01 0.04 -0.12 -0.04 1.64 1.53 3i60A1 LEU 161 HB3 -0.07 -0.05 0.05 -0.04 1.64 1.54 3i60A1 LEU 161 HG -0.11 0.05 -0.10 -0.04 1.64 1.44 3i60A1 LEU 161 HD13 -0.16 -0.00 -0.09 -0.04 0.93 0.64 3i60A1 LEU 161 HD23 -0.08 -0.02 -0.39 -0.04 0.89 0.36 3i60A1 LYS 162 H -0.03 0.49 0.26 -0.55 8.42 8.58 3i60A1 LYS 162 HA 0.01 0.29 0.66 -0.75 4.32 4.53 3i60A1 LYS 162 HB2 0.00 -0.10 -0.14 -0.04 1.87 1.59 3i60A1 LYS 162 HB3 0.03 -0.02 -0.43 -0.04 1.79 1.33 3i60A1 LYS 162 HG2 0.01 0.31 -0.25 -0.04 1.46 1.48 3i60A1 LYS 162 HG3 0.00 -0.11 -0.52 -0.04 1.46 0.78 3i60A1 LYS 162 HD2 0.00 -0.09 -0.24 -0.04 1.69 1.32 3i60A1 LYS 162 HD3 0.01 0.08 -0.33 -0.04 1.68 1.40 3i60A1 LYS 162 HE2 0.00 -0.09 -0.17 -0.04 2.99 2.70 3i60A1 LYS 162 HE3 -0.00 -0.08 -0.11 -0.04 2.99 2.76 3i60A1 ILE 163 H 0.05 0.68 0.30 -0.55 8.25 8.74 3i60A1 ILE 163 HA -0.04 0.17 0.87 -0.75 4.18 4.43 3i60A1 ILE 163 HB 0.21 -0.04 0.17 -0.04 1.89 2.19 3i60A1 ILE 163 HG12 -0.13 -0.04 0.05 -0.04 1.49 1.32 3i60A1 ILE 163 HG13 -0.03 0.12 0.13 -0.04 1.21 1.39 3i60A1 ILE 163 HG23 -0.30 0.01 -0.03 -0.04 0.93 0.57 3i60A1 ILE 163 HD13 -0.07 0.00 -0.01 -0.04 0.88 0.76 3i60A1 CYS 164 H 0.01 0.65 0.32 -0.55 8.50 8.93 3i60A1 CYS 164 HA 0.26 0.17 0.87 -0.75 4.58 5.13 3i60A1 CYS 164 HB2 0.05 -0.11 0.08 -0.04 2.97 2.96 3i60A1 CYS 164 HB3 0.04 0.03 -0.17 -0.04 2.97 2.83 3i60A1 ASP 165 H 0.13 0.12 0.06 -0.55 8.40 8.17 3i60A1 ASP 165 HA 0.03 -0.04 0.35 -0.75 4.63 4.22 3i60A1 ASP 165 HB2 -0.02 0.01 -0.14 -0.04 2.71 2.51 3i60A1 ASP 165 HB3 0.01 0.21 0.12 -0.04 2.70 3.01 3i60A1 PHE 166 H 0.23 0.15 0.01 -0.55 8.34 8.18 3i60A1 PHE 166 HA -0.32 0.24 0.70 -0.75 4.62 4.48 3i60A1 PHE 166 HB2 -0.08 0.02 0.05 -0.04 3.15 3.09 3i60A1 PHE 166 HB3 -0.13 0.06 0.13 -0.04 3.06 3.08 3i60A1 PHE 166 HD2 0.00 -0.09 -0.24 -0.04 7.28 6.91 3i60A1 PHE 166 HE2 0.23 0.09 -0.22 -0.04 7.38 7.44 3i60A1 PHE 166 HZ 0.19 -0.02 -0.10 -0.04 7.32 7.36 3i60A1 GLY 167 H -0.04 0.04 -0.43 -0.55 8.43 7.45 3i60A1 GLY 167 HA2 0.03 0.16 0.32 -0.51 4.01 4.00 3i60A1 GLY 167 HA3 0.01 -0.03 0.20 -0.51 4.01 3.67 3i60A1 LEU 168 H -0.13 0.10 -0.23 -0.55 8.37 7.56 3i60A1 LEU 168 HA -0.00 0.12 0.60 -0.75 4.35 4.32 3i60A1 LEU 168 HB2 -0.10 0.02 -0.05 -0.04 1.64 1.47 3i60A1 LEU 168 HB3 -0.01 0.03 0.03 -0.04 1.64 1.65 3i60A1 LEU 168 HG -0.02 -0.14 -0.12 -0.04 1.64 1.33 3i60A1 LEU 168 HD13 -0.00 0.02 -0.08 -0.04 0.93 0.83 3i60A1 LEU 168 HD23 0.03 0.01 -0.06 -0.04 0.89 0.83 3i60A1 ALA 169 H -0.07 0.20 -0.68 -0.55 8.40 7.30 3i60A1 ALA 169 HA -0.01 0.21 0.36 -0.75 4.34 4.14 3i60A1 ALA 169 HB3 0.06 -0.02 0.02 -0.04 1.41 1.43 3i60A1 ARG 170 H 0.11 0.51 0.28 -0.55 8.46 8.81 3i60A1 ARG 170 HA 0.21 0.11 0.79 -0.75 4.34 4.69 3i60A1 ARG 170 HB2 0.10 -0.04 -0.07 -0.04 1.90 1.85 3i60A1 ARG 170 HB3 0.11 0.01 0.04 -0.04 1.80 1.91 3i60A1 ARG 170 HG2 0.07 0.05 -0.15 -0.04 1.67 1.60 3i60A1 ARG 170 HG3 0.07 0.25 -0.43 -0.04 1.67 1.51 3i60A1 ARG 170 HD2 0.02 -0.03 -0.07 -0.04 3.22 3.10 3i60A1 ARG 170 HD3 0.03 -0.00 -0.06 -0.04 3.22 3.15 3i60A1 VAL 171 H 0.28 0.08 0.13 -0.55 8.24 8.18 3i60A1 VAL 171 HA 0.15 0.21 0.72 -0.75 4.13 4.46 3i60A1 VAL 171 HB 0.22 -0.10 0.14 -0.04 2.12 2.34 3i60A1 VAL 171 HG13 0.10 0.06 0.01 -0.04 0.97 1.10 3i60A1 VAL 171 HG23 0.19 -0.02 -0.08 -0.04 0.95 1.00 3i60A1 ALA 172 H 0.08 0.83 0.36 -0.55 8.40 9.13 3i60A1 ALA 172 HA 0.05 -0.07 0.19 -0.75 4.34 3.76 3i60A1 ALA 172 HB3 0.02 -0.02 0.02 -0.04 1.41 1.38 3i60A1 ASP 173 H 0.02 0.10 0.11 -0.55 8.40 8.09 3i60A1 ASP 173 HA 0.01 0.15 0.38 -0.75 4.63 4.42 3i60A1 ASP 173 HB2 -0.04 0.14 0.16 -0.04 2.71 2.93 3i60A1 ASP 173 HB3 0.00 -0.06 0.03 -0.04 2.70 2.64 3i60A1 ALA 187 HA 0.01 -0.03 0.11 -0.75 4.34 3.67 3i60A1 ALA 187 HB3 0.02 -0.01 0.03 -0.04 1.41 1.41 3i60A1 THR 188 H 0.05 0.16 0.02 -0.55 8.28 7.96 3i60A1 THR 188 HA -0.04 0.15 0.84 -0.75 4.39 4.59 3i60A1 THR 188 HB 0.16 0.00 0.06 -0.04 4.32 4.50 3i60A1 THR 188 HG23 -0.12 -0.04 -0.06 -0.04 1.22 0.96 3i60A1 ARG 189 H -0.07 0.20 0.08 -0.55 8.46 8.10 3i60A1 ARG 189 HA 0.08 0.08 0.12 -0.75 4.34 3.86 3i60A1 ARG 189 HB2 0.02 0.01 0.05 -0.04 1.90 1.95 3i60A1 ARG 189 HB3 -0.07 0.02 0.07 -0.04 1.80 1.78 3i60A1 ARG 189 HG2 0.28 0.05 -0.26 -0.04 1.67 1.70 3i60A1 ARG 189 HG3 0.15 -0.03 -0.11 -0.04 1.67 1.64 3i60A1 ARG 189 HD2 0.15 -0.10 -0.66 -0.04 3.22 2.56 3i60A1 ARG 189 HD3 0.13 -0.12 -0.27 -0.04 3.22 2.92 3i60A1 TRP 190 H 0.01 0.02 -0.28 -0.55 7.97 7.18 3i60A1 TRP 190 HA -0.07 0.20 0.28 -0.75 4.62 4.27 3i60A1 TRP 190 HB2 -0.58 -0.05 -0.02 -0.04 3.23 2.54 3i60A1 TRP 190 HB3 -0.53 -0.03 -0.01 -0.04 3.23 2.62 3i60A1 TRP 190 HD1 -0.06 -0.03 -0.05 -0.04 7.22 7.04 3i60A1 TRP 190 HE1 -0.04 0.28 -0.23 -0.04 10.20 10.17 3i60A1 TRP 190 HE3 0.06 -0.03 -0.06 -0.04 7.59 7.53 3i60A1 TRP 190 HZ2 0.01 0.03 -0.09 -0.04 7.44 7.35 3i60A1 TRP 190 HZ3 0.15 0.01 -0.03 -0.04 7.13 7.22 3i60A1 TRP 190 HH2 0.06 0.02 -0.03 -0.04 7.19 7.20 3i60A1 TYR 191 H 0.29 0.46 -0.31 -0.55 8.29 8.18 3i60A1 TYR 191 HA 0.34 0.17 0.74 -0.75 4.56 5.05 3i60A1 TYR 191 HB2 0.12 0.03 0.02 -0.04 3.06 3.19 3i60A1 TYR 191 HB3 0.14 0.02 0.16 -0.04 2.98 3.26 3i60A1 TYR 191 HD2 0.11 0.04 -0.09 -0.04 7.15 7.16 3i60A1 TYR 191 HE2 0.15 0.01 -0.12 -0.04 6.85 6.85 3i60A1 ARG 192 H 0.23 0.35 -0.16 -0.55 8.46 8.32 3i60A1 ARG 192 HA 0.11 0.08 0.77 -0.75 4.34 4.54 3i60A1 ARG 192 HB2 -0.05 -0.03 -0.00 -0.04 1.90 1.78 3i60A1 ARG 192 HB3 0.07 0.00 -0.14 -0.04 1.80 1.69 3i60A1 ARG 192 HG2 0.07 0.15 -0.01 -0.04 1.67 1.84 3i60A1 ARG 192 HG3 -0.03 0.04 -0.21 -0.04 1.67 1.42 3i60A1 ARG 192 HD2 0.03 -0.06 -0.13 -0.04 3.22 3.02 3i60A1 ARG 192 HD3 -0.04 -0.01 -0.14 -0.04 3.22 2.99 3i60A1 ALA 193 H -0.16 0.07 0.18 -0.55 8.40 7.95 3i60A1 ALA 193 HA -1.80 0.19 0.31 -0.75 4.34 2.28 3i60A1 ALA 193 HB3 -0.33 0.00 0.17 -0.04 1.41 1.21 3i60A1 PRO 194 HA -0.38 0.08 0.41 -0.51 4.44 4.04 3i60A1 PRO 194 HB2 -0.88 0.06 -0.02 -0.04 2.28 1.40 3i60A1 PRO 194 HB3 -0.50 0.03 0.09 -0.04 2.02 1.60 3i60A1 PRO 194 HG2 -1.05 0.18 0.15 -0.04 2.03 1.26 3i60A1 PRO 194 HG3 -1.09 0.05 0.06 -0.04 2.03 1.01 3i60A1 PRO 194 HD2 -1.96 0.09 0.21 -0.04 3.68 1.98 3i60A1 PRO 194 HD3 -2.25 0.19 0.12 -0.04 3.65 1.67 3i60A1 GLU 195 H -0.47 0.11 -0.24 -0.55 8.60 7.46 3i60A1 GLU 195 HA -0.20 0.15 0.37 -0.75 4.29 3.86 3i60A1 GLU 195 HB2 -0.19 -0.10 -0.00 -0.04 2.09 1.76 3i60A1 GLU 195 HB3 -0.09 0.11 0.01 -0.04 1.99 1.98 3i60A1 GLU 195 HG2 -0.17 -0.04 0.05 -0.04 2.34 2.14 3i60A1 GLU 195 HG3 -0.28 0.10 0.08 -0.04 2.34 2.19 3i60A1 ILE 196 H -0.27 0.15 -0.26 -0.55 8.25 7.32 3i60A1 ILE 196 HA -0.06 0.06 0.16 -0.75 4.18 3.59 3i60A1 ILE 196 HB -0.19 0.15 -0.01 -0.04 1.89 1.80 3i60A1 ILE 196 HG12 -1.05 0.03 -0.07 -0.04 1.49 0.35 3i60A1 ILE 196 HG13 -0.41 -0.11 0.04 -0.04 1.21 0.69 3i60A1 ILE 196 HG23 -0.11 0.00 -0.13 -0.04 0.93 0.66 3i60A1 ILE 196 HD13 -0.32 -0.02 0.05 -0.04 0.88 0.55 3i60A1 MET 197 H -0.09 0.29 -0.39 -0.55 8.47 7.73 3i60A1 MET 197 HA 0.06 0.04 0.42 -0.75 4.52 4.28 3i60A1 MET 197 HB2 0.03 0.14 0.01 -0.04 2.15 2.28 3i60A1 MET 197 HB3 0.42 -0.10 0.07 -0.04 2.03 2.38 3i60A1 MET 197 HG2 0.16 -0.06 -0.05 -0.04 2.63 2.63 3i60A1 MET 197 HG3 -0.01 0.05 -0.10 -0.04 2.56 2.46 3i60A1 MET 197 HE3 -0.12 0.05 -0.18 -0.04 2.10 1.82 3i60A1 LEU 198 H -0.03 0.46 -0.47 -0.55 8.37 7.78 3i60A1 LEU 198 HA 0.08 -0.03 0.81 -0.75 4.35 4.46 3i60A1 LEU 198 HB2 -0.07 0.18 0.15 -0.04 1.64 1.86 3i60A1 LEU 198 HB3 0.01 -0.04 0.19 -0.04 1.64 1.75 3i60A1 LEU 198 HG 0.06 -0.13 0.03 -0.04 1.64 1.57 3i60A1 LEU 198 HD13 0.04 0.04 -0.14 -0.04 0.93 0.82 3i60A1 LEU 198 HD23 0.01 -0.00 -0.09 -0.04 0.89 0.76 3i60A1 ASN 199 H 0.03 0.19 -0.41 -0.55 8.53 7.80 3i60A1 ASN 199 HA 0.04 0.08 0.19 -0.75 4.76 4.32 3i60A1 ASN 199 HB2 0.03 0.02 -0.14 -0.04 2.88 2.75 3i60A1 ASN 199 HB3 0.02 0.02 0.11 -0.04 2.79 2.90 3i60A1 ASN 199 HD21 -0.01 -0.04 0.01 -0.04 7.03 6.95 3i60A1 ASN 199 HD22 0.01 -0.00 0.02 -0.04 7.74 7.72 3i60A1 TYR 203 HA -0.01 -0.03 0.31 -0.75 4.56 4.08 3i60A1 TYR 203 HB2 -0.02 -0.14 0.05 -0.04 3.06 2.90 3i60A1 TYR 203 HB3 -0.04 0.06 -0.03 -0.04 2.98 2.93 3i60A1 TYR 203 HD2 -0.01 0.04 -0.34 -0.04 7.15 6.80 3i60A1 TYR 203 HE2 0.00 0.03 11.55 -0.04 6.85 18.40 3i60A1 THR 204 H 0.15 0.02 0.14 -0.55 8.28 8.04 3i60A1 THR 204 HA 0.07 0.27 0.76 -0.75 4.39 4.73 3i60A1 THR 204 HB 0.06 0.13 -0.04 -0.04 4.32 4.43 3i60A1 THR 204 HG23 0.05 -0.08 0.02 -0.04 1.22 1.17 3i60A1 LYS 205 H -0.04 0.26 0.18 -0.55 8.42 8.27 3i60A1 LYS 205 HA -0.13 0.08 0.45 -0.75 4.32 3.97 3i60A1 LYS 205 HB2 -0.17 0.03 0.15 -0.04 1.87 1.83 3i60A1 LYS 205 HB3 -0.70 -0.02 0.10 -0.04 1.79 1.12 3i60A1 LYS 205 HG2 -0.79 0.07 0.04 -0.04 1.46 0.75 3i60A1 LYS 205 HG3 -0.21 -0.00 0.07 -0.04 1.46 1.28 3i60A1 LYS 205 HD2 -0.14 -0.03 0.07 -0.04 1.69 1.55 3i60A1 LYS 205 HD3 -0.33 -0.04 0.08 -0.04 1.68 1.34 3i60A1 LYS 205 HE2 -0.08 0.10 0.13 -0.04 2.99 3.09 3i60A1 LYS 205 HE3 -0.07 -0.02 0.05 -0.04 2.99 2.91 3i60A1 SER 206 H 0.03 0.09 -0.35 -0.55 8.46 7.69 3i60A1 SER 206 HA 0.11 0.08 0.36 -0.75 4.49 4.28 3i60A1 SER 206 HB2 0.07 0.12 0.16 -0.04 3.95 4.26 3i60A1 SER 206 HB3 0.05 0.06 0.09 -0.04 3.93 4.10 3i60A1 ILE 207 H 0.05 0.41 -0.32 -0.55 8.25 7.84 3i60A1 ILE 207 HA 0.03 0.08 0.58 -0.75 4.18 4.12 3i60A1 ILE 207 HB -0.13 -0.04 0.14 -0.04 1.89 1.82 3i60A1 ILE 207 HG12 0.06 0.34 0.12 -0.04 1.49 1.97 3i60A1 ILE 207 HG13 0.06 -0.10 -0.10 -0.04 1.21 1.04 3i60A1 ILE 207 HG23 -0.24 0.01 0.04 -0.04 0.93 0.70 3i60A1 ILE 207 HD13 -0.16 0.02 0.10 -0.04 0.88 0.79 3i60A1 ASP 208 H 0.15 0.42 -0.07 -0.55 8.40 8.35 3i60A1 ASP 208 HA 0.10 0.03 0.55 -0.75 4.63 4.56 3i60A1 ASP 208 HB2 0.31 0.25 0.22 -0.04 2.71 3.45 3i60A1 ASP 208 HB3 0.05 0.01 0.06 -0.04 2.70 2.77 3i60A1 ILE 209 H 0.16 0.20 -0.17 -0.55 8.25 7.89 3i60A1 ILE 209 HA 0.04 0.01 0.43 -0.75 4.18 3.90 3i60A1 ILE 209 HB 0.13 0.15 0.18 -0.04 1.89 2.30 3i60A1 ILE 209 HG12 0.18 -0.07 0.04 -0.04 1.49 1.60 3i60A1 ILE 209 HG13 0.11 0.18 0.07 -0.04 1.21 1.53 3i60A1 ILE 209 HG23 0.04 0.09 -0.07 -0.04 0.93 0.95 3i60A1 ILE 209 HD13 0.03 -0.04 -0.10 -0.04 0.88 0.73 3i60A1 TRP 210 H 0.29 0.41 -0.11 -0.55 7.97 8.00 3i60A1 TRP 210 HA 0.04 0.15 0.39 -0.75 4.62 4.44 3i60A1 TRP 210 HB2 0.00 0.08 0.16 -0.04 3.23 3.43 3i60A1 TRP 210 HB3 0.01 0.07 0.15 -0.04 3.23 3.43 3i60A1 TRP 210 HD1 0.10 0.16 -0.64 -0.04 7.22 6.80 3i60A1 TRP 210 HE1 0.17 0.09 -0.28 -0.04 10.20 10.14 3i60A1 TRP 210 HE3 0.02 0.16 0.02 -0.04 7.59 7.75 3i60A1 TRP 210 HZ2 -0.20 0.01 -0.06 -0.04 7.44 7.15 3i60A1 TRP 210 HZ3 0.11 0.00 -0.70 -0.04 7.13 6.50 3i60A1 TRP 210 HH2 0.09 0.02 -0.12 -0.04 7.19 7.14 3i60A1 SER 211 H 0.26 0.32 -0.23 -0.55 8.46 8.26 3i60A1 SER 211 HA 0.28 0.10 0.46 -0.75 4.49 4.58 3i60A1 SER 211 HB2 0.07 -0.06 0.14 -0.04 3.95 4.06 3i60A1 SER 211 HB3 0.12 0.10 0.03 -0.04 3.93 4.14 3i60A1 VAL 212 H 0.01 0.56 -0.15 -0.55 8.24 8.11 3i60A1 VAL 212 HA -0.06 -0.04 0.37 -0.75 4.13 3.65 3i60A1 VAL 212 HB -0.05 0.14 0.11 -0.04 2.12 2.28 3i60A1 VAL 212 HG13 -0.08 -0.02 -0.08 -0.04 0.97 0.75 3i60A1 VAL 212 HG23 -0.08 0.06 -0.01 -0.04 0.95 0.88 3i60A1 GLY 213 H -0.13 0.62 -0.26 -0.55 8.43 8.12 3i60A1 GLY 213 HA2 -0.25 -0.05 0.44 -0.51 4.01 3.65 3i60A1 GLY 213 HA3 -0.34 0.12 0.24 -0.51 4.01 3.52 3i60A1 CYS 214 H -0.23 0.64 -0.05 -0.55 8.50 8.32 3i60A1 CYS 214 HA -0.19 -0.01 0.38 -0.75 4.58 4.00 3i60A1 CYS 214 HB2 0.28 0.15 0.14 -0.04 2.97 3.49 3i60A1 CYS 214 HB3 0.06 -0.11 0.07 -0.04 2.97 2.94 3i60A1 ILE 215 H -0.01 0.40 -0.56 -0.55 8.25 7.52 3i60A1 ILE 215 HA 0.08 -0.01 0.38 -0.75 4.18 3.88 3i60A1 ILE 215 HB -0.05 0.16 0.09 -0.04 1.89 2.04 3i60A1 ILE 215 HG12 -0.09 -0.14 -0.13 -0.04 1.49 1.09 3i60A1 ILE 215 HG13 0.05 0.34 -0.07 -0.04 1.21 1.49 3i60A1 ILE 215 HG23 -0.07 -0.03 -0.18 -0.04 0.93 0.62 3i60A1 ILE 215 HD13 -0.13 -0.04 -0.37 -0.04 0.88 0.30 3i60A1 LEU 216 H -0.12 0.62 0.01 -0.55 8.37 8.34 3i60A1 LEU 216 HA -0.11 -0.01 0.53 -0.75 4.35 4.01 3i60A1 LEU 216 HB2 -0.16 0.02 0.12 -0.04 1.64 1.58 3i60A1 LEU 216 HB3 -0.26 0.16 0.19 -0.04 1.64 1.69 3i60A1 LEU 216 HG -0.37 0.01 -0.21 -0.04 1.64 1.02 3i60A1 LEU 216 HD13 -0.15 -0.03 -0.01 -0.04 0.93 0.70 3i60A1 LEU 216 HD23 -0.32 -0.00 -0.02 -0.04 0.89 0.50 3i60A1 ALA 217 H -0.22 0.62 -0.15 -0.55 8.40 8.10 3i60A1 ALA 217 HA -0.57 -0.00 0.31 -0.75 4.34 3.31 3i60A1 ALA 217 HB3 -0.08 0.04 0.07 -0.04 1.41 1.40 3i60A1 GLU 218 H -0.05 0.28 -0.44 -0.55 8.60 7.84 3i60A1 GLU 218 HA 0.03 0.26 0.48 -0.75 4.29 4.30 3i60A1 GLU 218 HB2 0.08 0.02 0.01 -0.04 2.09 2.16 3i60A1 GLU 218 HB3 0.06 0.05 0.04 -0.04 1.99 2.11 3i60A1 GLU 218 HG2 0.06 0.01 -0.27 -0.04 2.34 2.09 3i60A1 GLU 218 HG3 0.05 -0.04 -0.42 -0.04 2.34 1.90 3i60A1 MET 219 H -0.04 0.52 -0.09 -0.55 8.47 8.31 3i60A1 MET 219 HA -0.01 0.05 0.60 -0.75 4.52 4.41 3i60A1 MET 219 HB2 -0.04 0.11 0.15 -0.04 2.15 2.34 3i60A1 MET 219 HB3 0.03 -0.10 0.04 -0.04 2.03 1.95 3i60A1 MET 219 HG2 -0.00 -0.04 0.02 -0.04 2.63 2.57 3i60A1 MET 219 HG3 -0.02 0.26 0.06 -0.04 2.56 2.82 3i60A1 MET 219 HE3 0.02 -0.01 -0.09 -0.04 2.10 1.98 3i60A1 LEU 220 H -0.12 0.33 -0.42 -0.55 8.37 7.62 3i60A1 LEU 220 HA -0.06 0.01 0.47 -0.75 4.35 4.01 3i60A1 LEU 220 HB2 -0.46 0.20 0.10 -0.04 1.64 1.44 3i60A1 LEU 220 HB3 -0.14 -0.07 0.00 -0.04 1.64 1.39 3i60A1 LEU 220 HG -0.28 0.16 -0.01 -0.04 1.64 1.47 3i60A1 LEU 220 HD13 -0.72 -0.03 -0.13 -0.04 0.93 0.01 3i60A1 LEU 220 HD23 -0.15 -0.04 -0.02 -0.04 0.89 0.63 3i60A1 SER 221 H 0.09 0.19 -0.14 -0.55 8.46 8.06 3i60A1 SER 221 HA 0.13 0.18 0.91 -0.75 4.49 4.95 3i60A1 SER 221 HB2 0.08 -0.02 0.11 -0.04 3.95 4.08 3i60A1 SER 221 HB3 0.29 -0.01 -0.07 -0.04 3.93 4.09 3i60A1 ASN 222 H 0.04 0.36 -0.01 -0.55 8.53 8.37 3i60A1 ASN 222 HA 0.02 0.06 0.37 -0.75 4.76 4.46 3i60A1 ASN 222 HB2 0.05 0.14 0.07 -0.04 2.88 3.10 3i60A1 ASN 222 HB3 0.02 0.04 0.27 -0.04 2.79 3.08 3i60A1 ASN 222 HD21 0.02 0.32 0.28 -0.04 7.03 7.60 3i60A1 ASN 222 HD22 0.01 0.45 0.27 -0.04 7.74 8.42 3i60A1 ARG 223 H 0.03 0.17 -0.18 -0.55 8.46 7.93 3i60A1 ARG 223 HA -0.01 0.11 0.61 -0.75 4.34 4.30 3i60A1 ARG 223 HB2 -0.06 -0.03 0.05 -0.04 1.90 1.82 3i60A1 ARG 223 HB3 -0.01 0.09 -0.27 -0.04 1.80 1.56 3i60A1 ARG 223 HG2 -0.01 -0.08 -0.14 -0.04 1.67 1.40 3i60A1 ARG 223 HG3 -0.08 0.17 -0.31 -0.04 1.67 1.41 3i60A1 ARG 223 HD2 -0.07 -0.01 -0.06 -0.04 3.22 3.04 3i60A1 ARG 223 HD3 -0.05 -0.04 -0.05 -0.04 3.22 3.03 3i60A1 PRO 224 HA -0.07 0.02 0.37 -0.51 4.44 4.25 3i60A1 PRO 224 HB2 -0.70 0.02 -0.12 -0.04 2.28 1.44 3i60A1 PRO 224 HB3 -0.30 -0.01 -0.03 -0.04 2.02 1.64 3i60A1 PRO 224 HG2 -0.61 0.02 0.01 -0.04 2.03 1.42 3i60A1 PRO 224 HG3 0.16 0.01 0.00 -0.04 2.03 2.16 3i60A1 PRO 224 HD2 -0.22 0.13 0.14 -0.04 3.68 3.68 3i60A1 PRO 224 HD3 -0.01 0.18 0.15 -0.04 3.65 3.93 3i60A1 ILE 225 H -0.23 0.11 0.14 -0.55 8.25 7.72 3i60A1 ILE 225 HA -0.22 0.19 0.50 -0.75 4.18 3.89 3i60A1 ILE 225 HB -0.14 -0.00 0.04 -0.04 1.89 1.74 3i60A1 ILE 225 HG12 -1.02 0.03 -0.11 -0.04 1.49 0.35 3i60A1 ILE 225 HG13 -0.17 0.04 0.04 -0.04 1.21 1.08 3i60A1 ILE 225 HG23 -0.74 0.00 0.05 -0.04 0.93 0.20 3i60A1 ILE 225 HD13 0.05 -0.01 -0.04 -0.04 0.88 0.84 3i60A1 PHE 226 H -0.30 0.03 -0.16 -0.55 8.34 7.36 3i60A1 PHE 226 HA -0.11 0.27 0.82 -0.75 4.62 4.85 3i60A1 PHE 226 HB2 0.01 0.11 0.20 -0.04 3.15 3.43 3i60A1 PHE 226 HB3 0.04 -0.03 0.06 -0.04 3.06 3.09 3i60A1 PHE 226 HD2 0.19 0.09 -0.18 -0.04 7.28 7.34 3i60A1 PHE 226 HE2 0.01 0.03 -0.04 -0.04 7.38 7.34 3i60A1 PHE 226 HZ 0.25 0.02 -0.03 -0.04 7.32 7.52 3i60A1 PRO 227 HA -2.12 0.06 0.46 -0.51 4.44 2.32 3i60A1 PRO 227 HB2 -0.67 -0.02 0.10 -0.04 2.28 1.65 3i60A1 PRO 227 HB3 -1.28 0.01 0.00 -0.04 2.02 0.71 3i60A1 PRO 227 HG2 -0.34 -0.02 0.01 -0.04 2.03 1.63 3i60A1 PRO 227 HG3 -0.36 0.11 -0.03 -0.04 2.03 1.70 3i60A1 PRO 227 HD2 -0.21 0.16 -0.11 -0.04 3.68 3.48 3i60A1 PRO 227 HD3 -0.36 0.28 -0.58 -0.04 3.65 2.95 3i60A1 GLY 228 H -0.18 0.41 -0.05 -0.55 8.43 8.06 3i60A1 GLY 228 HA2 -0.21 0.06 0.27 -0.51 4.01 3.62 3i60A1 GLY 228 HA3 -0.01 -0.00 -0.01 -0.51 4.01 3.48 3i60A1 LYS 229 H -0.01 0.12 0.13 -0.55 8.42 8.10 3i60A1 LYS 229 HA 0.20 0.14 0.46 -0.75 4.32 4.37 3i60A1 LYS 229 HB2 0.08 -0.09 0.09 -0.04 1.87 1.91 3i60A1 LYS 229 HB3 0.20 0.00 0.04 -0.04 1.79 1.98 3i60A1 LYS 229 HG2 0.09 0.08 0.07 -0.04 1.46 1.65 3i60A1 LYS 229 HG3 0.12 -0.01 0.04 -0.04 1.46 1.56 3i60A1 LYS 229 HD2 0.18 0.04 -0.04 -0.04 1.69 1.82 3i60A1 LYS 229 HD3 0.11 0.04 -0.01 -0.04 1.68 1.78 3i60A1 LYS 229 HE2 0.12 0.01 0.01 -0.04 2.99 3.08 3i60A1 LYS 229 HE3 0.12 -0.03 0.02 -0.04 2.99 3.06 3i60A1 HIS 230 H -0.26 0.07 -0.02 -0.55 8.41 7.64 3i60A1 HIS 230 HA 0.10 0.24 0.50 -0.75 4.63 4.73 3i60A1 HIS 230 HB2 0.10 -0.07 0.12 -0.04 3.26 3.37 3i60A1 HIS 230 HB3 0.07 0.19 0.03 -0.04 3.20 3.45 3i60A1 HIS 230 HD2 0.07 0.10 -0.16 -0.04 6.97 6.92 3i60A1 HIS 230 HE1 0.01 0.10 -0.04 -0.04 7.75 7.78 3i60A1 TYR 231 H 0.32 0.23 0.11 -0.55 8.29 8.40 3i60A1 TYR 231 HA 0.05 0.14 0.30 -0.75 4.56 4.29 3i60A1 TYR 231 HB2 0.03 0.11 0.10 -0.04 3.06 3.25 3i60A1 TYR 231 HB3 0.05 -0.02 0.17 -0.04 2.98 3.13 3i60A1 TYR 231 HD2 0.01 -0.05 0.00 -0.04 7.15 7.07 3i60A1 TYR 231 HE2 -0.02 0.13 0.02 -0.04 6.85 6.94 3i60A1 LEU 232 H 0.23 0.07 -0.19 -0.55 8.37 7.94 3i60A1 LEU 232 HA -0.42 0.16 0.53 -0.75 4.35 3.86 3i60A1 LEU 232 HB2 0.13 -0.03 0.08 -0.04 1.64 1.78 3i60A1 LEU 232 HB3 0.15 0.02 -0.02 -0.04 1.64 1.75 3i60A1 LEU 232 HG -0.52 0.05 -0.03 -0.04 1.64 1.11 3i60A1 LEU 232 HD13 -0.52 0.01 -0.01 -0.04 0.93 0.37 3i60A1 LEU 232 HD23 -0.35 0.01 -0.03 -0.04 0.89 0.49 3i60A1 ASP 233 H -0.42 0.04 -0.15 -0.55 8.40 7.32 3i60A1 ASP 233 HA -0.06 0.11 0.40 -0.75 4.63 4.32 3i60A1 ASP 233 HB2 -1.09 -0.00 0.14 -0.04 2.71 1.72 3i60A1 ASP 233 HB3 -0.34 -0.16 0.14 -0.04 2.70 2.30 3i60A1 GLN 234 H -0.06 0.32 -0.48 -0.55 8.47 7.71 3i60A1 GLN 234 HA 0.05 0.03 0.44 -0.75 4.36 4.12 3i60A1 GLN 234 HB2 0.08 -0.07 -0.08 -0.04 2.15 2.04 3i60A1 GLN 234 HB3 -0.00 0.21 0.09 -0.04 2.02 2.28 3i60A1 GLN 234 HG2 0.10 0.06 -0.03 -0.04 2.40 2.48 3i60A1 GLN 234 HG3 0.03 0.00 -0.14 -0.04 2.39 2.24 3i60A1 GLN 234 HE21 0.24 0.28 0.19 -0.04 6.97 7.64 3i60A1 GLN 234 HE22 0.17 -0.03 0.01 -0.04 7.69 7.81 3i60A1 LEU 235 H -0.10 0.37 -0.11 -0.55 8.37 7.98 3i60A1 LEU 235 HA -0.05 0.07 0.46 -0.75 4.35 4.07 3i60A1 LEU 235 HB2 -0.10 0.08 0.19 -0.04 1.64 1.76 3i60A1 LEU 235 HB3 -0.01 -0.00 0.02 -0.04 1.64 1.61 3i60A1 LEU 235 HG -0.18 0.03 0.04 -0.04 1.64 1.49 3i60A1 LEU 235 HD13 -0.26 -0.01 -0.01 -0.04 0.93 0.60 3i60A1 LEU 235 HD23 -0.03 0.01 0.00 -0.04 0.89 0.83 3i60A1 ASN 236 H 0.01 0.36 -0.17 -0.55 8.53 8.18 3i60A1 ASN 236 HA -0.03 0.09 0.52 -0.75 4.76 4.59 3i60A1 ASN 236 HB2 0.01 -0.02 0.11 -0.04 2.88 2.94 3i60A1 ASN 236 HB3 -0.10 0.03 -0.10 -0.04 2.79 2.58 3i60A1 ASN 236 HD21 0.26 -0.01 -0.08 -0.04 7.03 7.16 3i60A1 ASN 236 HD22 0.13 0.12 -0.10 -0.04 7.74 7.85 3i60A1 HIS 237 H 0.16 0.42 -0.22 -0.55 8.41 8.23 3i60A1 HIS 237 HA 0.04 0.04 0.31 -0.75 4.63 4.27 3i60A1 HIS 237 HB2 0.05 0.10 0.08 -0.04 3.26 3.45 3i60A1 HIS 237 HB3 0.28 0.04 -0.04 -0.04 3.20 3.43 3i60A1 HIS 237 HD2 -0.01 0.10 -0.04 -0.04 6.97 6.98 3i60A1 HIS 237 HE1 -0.05 -0.16 -0.04 -0.04 7.75 7.46 3i60A1 ILE 238 H -0.07 0.39 -0.25 -0.55 8.25 7.77 3i60A1 ILE 238 HA -0.84 0.05 0.43 -0.75 4.18 3.07 3i60A1 ILE 238 HB -0.11 0.07 0.14 -0.04 1.89 1.96 3i60A1 ILE 238 HG12 -1.25 -0.04 0.00 -0.04 1.49 0.17 3i60A1 ILE 238 HG13 -0.33 0.24 0.09 -0.04 1.21 1.18 3i60A1 ILE 238 HG23 0.10 -0.01 -0.11 -0.04 0.93 0.87 3i60A1 ILE 238 HD13 -0.17 -0.01 -0.05 -0.04 0.88 0.62 3i60A1 LEU 239 H -0.05 0.51 -0.14 -0.55 8.37 8.14 3i60A1 LEU 239 HA -0.07 0.08 0.34 -0.75 4.35 3.94 3i60A1 LEU 239 HB2 -0.09 0.08 0.04 -0.04 1.64 1.63 3i60A1 LEU 239 HB3 -0.13 -0.05 -0.10 -0.04 1.64 1.31 3i60A1 LEU 239 HG -0.04 0.28 0.11 -0.04 1.64 1.94 3i60A1 LEU 239 HD13 -0.11 -0.03 -0.01 -0.04 0.93 0.73 3i60A1 LEU 239 HD23 -0.19 -0.01 -0.06 -0.04 0.89 0.60 3i60A1 GLY 240 H -0.02 0.29 -0.69 -0.55 8.43 7.46 3i60A1 GLY 240 HA2 -0.09 -0.01 0.35 -0.51 4.01 3.74 3i60A1 GLY 240 HA3 -0.06 0.01 0.26 -0.51 4.01 3.71 3i60A1 ILE 241 H 0.04 0.31 -0.35 -0.55 8.25 7.70 3i60A1 ILE 241 HA -0.12 0.11 0.95 -0.75 4.18 4.37 3i60A1 ILE 241 HB 0.26 0.06 0.14 -0.04 1.89 2.31 3i60A1 ILE 241 HG12 0.20 0.12 -0.08 -0.04 1.49 1.70 3i60A1 ILE 241 HG13 0.20 -0.01 -0.01 -0.04 1.21 1.35 3i60A1 ILE 241 HG23 -0.37 -0.02 -0.06 -0.04 0.93 0.43 3i60A1 ILE 241 HD13 -0.07 0.01 -0.06 -0.04 0.88 0.72 3i60A1 LEU 242 H 0.03 0.57 0.21 -0.55 8.37 8.63 3i60A1 LEU 242 HA -0.07 0.03 0.50 -0.75 4.35 4.05 3i60A1 LEU 242 HB2 0.04 0.07 0.02 -0.04 1.64 1.74 3i60A1 LEU 242 HB3 0.10 -0.10 0.08 -0.04 1.64 1.67 3i60A1 LEU 242 HG 0.27 0.13 0.09 -0.04 1.64 2.09 3i60A1 LEU 242 HD13 0.53 -0.05 -0.05 -0.04 0.93 1.32 3i60A1 LEU 242 HD23 0.35 -0.01 0.01 -0.04 0.89 1.20 3i60A1 GLY 243 H -0.10 0.28 -0.35 -0.55 8.43 7.72 3i60A1 GLY 243 HA2 -0.18 0.11 -0.15 -0.51 4.01 3.27 3i60A1 GLY 243 HA3 -0.13 0.00 0.54 -0.51 4.01 3.91 3i60A1 SER 244 H -0.28 0.34 0.22 -0.55 8.46 8.18 3i60A1 SER 244 HA -0.17 0.08 0.40 -0.75 4.49 4.04 3i60A1 SER 244 HB2 -0.03 -0.07 0.11 -0.04 3.95 3.93 3i60A1 SER 244 HB3 -0.05 0.13 0.06 -0.04 3.93 4.02 3i60A1 PRO 245 HA -0.35 0.03 0.45 -0.51 4.44 4.06 3i60A1 PRO 245 HB2 -0.19 0.05 -0.09 -0.04 2.28 2.01 3i60A1 PRO 245 HB3 -0.68 -0.03 -0.00 -0.04 2.02 1.27 3i60A1 PRO 245 HG2 -0.18 0.02 0.01 -0.04 2.03 1.85 3i60A1 PRO 245 HG3 -0.44 0.05 0.04 -0.04 2.03 1.63 3i60A1 PRO 245 HD2 -0.14 0.12 0.15 -0.04 3.68 3.77 3i60A1 PRO 245 HD3 -0.19 0.13 0.21 -0.04 3.65 3.75 3i60A1 SER 246 H -0.11 0.05 0.13 -0.55 8.46 7.99 3i60A1 SER 246 HA -0.02 0.21 0.63 -0.75 4.49 4.55 3i60A1 SER 246 HB2 0.01 -0.03 0.17 -0.04 3.95 4.06 3i60A1 SER 246 HB3 -0.00 0.15 0.13 -0.04 3.93 4.16 3i60A1 GLN 247 H 0.00 0.16 0.14 -0.55 8.47 8.23 3i60A1 GLN 247 HA 0.01 0.17 0.38 -0.75 4.36 4.16 3i60A1 GLN 247 HB2 0.02 -0.03 0.10 -0.04 2.15 2.20 3i60A1 GLN 247 HB3 0.01 0.06 0.07 -0.04 2.02 2.13 3i60A1 GLN 247 HG2 0.01 0.05 0.06 -0.04 2.40 2.47 3i60A1 GLN 247 HG3 0.00 0.08 0.09 -0.04 2.39 2.52 3i60A1 GLN 247 HE21 0.01 0.02 0.06 -0.04 6.97 7.02 3i60A1 GLN 247 HE22 -0.00 0.07 0.06 -0.04 7.69 7.77 3i60A1 GLU 248 H 0.03 0.08 -0.01 -0.55 8.60 8.16 3i60A1 GLU 248 HA 0.05 0.11 0.38 -0.75 4.29 4.08 3i60A1 GLU 248 HB2 0.04 0.00 0.09 -0.04 2.09 2.19 3i60A1 GLU 248 HB3 0.06 -0.03 0.01 -0.04 1.99 1.99 3i60A1 GLU 248 HG2 0.09 0.04 -0.17 -0.04 2.34 2.26 3i60A1 GLU 248 HG3 0.06 0.03 0.04 -0.04 2.34 2.43 3i60A1 ASP 249 H 0.05 -0.02 -0.57 -0.55 8.40 7.32 3i60A1 ASP 249 HA 0.20 0.04 0.34 -0.75 4.63 4.45 3i60A1 ASP 249 HB2 -0.03 0.14 0.04 -0.04 2.71 2.82 3i60A1 ASP 249 HB3 0.05 0.08 -0.08 -0.04 2.70 2.71 3i60A1 LEU 250 H 0.06 0.37 -0.31 -0.55 8.37 7.94 3i60A1 LEU 250 HA 0.14 0.08 0.48 -0.75 4.35 4.30 3i60A1 LEU 250 HB2 0.04 0.11 0.08 -0.04 1.64 1.83 3i60A1 LEU 250 HB3 0.05 -0.10 0.01 -0.04 1.64 1.56 3i60A1 LEU 250 HG -0.02 0.10 -0.09 -0.04 1.64 1.59 3i60A1 LEU 250 HD13 -0.01 -0.01 -0.10 -0.04 0.93 0.76 3i60A1 LEU 250 HD23 0.01 -0.00 -0.06 -0.04 0.89 0.80 3i60A1 ASN 251 H 0.07 0.24 -0.30 -0.55 8.53 8.00 3i60A1 ASN 251 HA 0.05 -0.04 0.32 -0.75 4.76 4.34 3i60A1 ASN 251 HB2 0.04 0.05 0.07 -0.04 2.88 3.00 3i60A1 ASN 251 HB3 0.06 0.05 0.21 -0.04 2.79 3.07 3i60A1 ASN 251 HD21 0.03 -0.03 -0.03 -0.04 7.03 6.96 3i60A1 ASN 251 HD22 0.03 0.02 -0.02 -0.04 7.74 7.73 3i60A1 CYS 252 H 0.05 0.17 0.28 -0.55 8.50 8.45 3i60A1 CYS 252 HA 0.07 0.11 0.77 -0.75 4.58 4.77 3i60A1 CYS 252 HB2 0.03 -0.01 0.10 -0.04 2.97 3.05 3i60A1 CYS 252 HB3 0.06 0.05 -0.30 -0.04 2.97 2.74 3i60A1 ILE 253 H 0.04 0.08 0.06 -0.55 8.25 7.88 3i60A1 ILE 253 HA 0.03 -0.02 0.33 -0.75 4.18 3.77 3i60A1 ILE 253 HB 0.03 0.17 0.07 -0.04 1.89 2.13 3i60A1 ILE 253 HG12 0.02 -0.02 0.07 -0.04 1.49 1.52 3i60A1 ILE 253 HG13 0.03 -0.02 -0.04 -0.04 1.21 1.14 3i60A1 ILE 253 HG23 0.02 -0.02 0.15 -0.04 0.93 1.04 3i60A1 ILE 253 HD13 0.02 -0.00 0.01 -0.04 0.88 0.86 3i60A1 ILE 254 H 0.04 -0.09 -0.09 -0.55 8.25 7.56 3i60A1 ILE 254 HA 0.04 0.53 0.64 -0.75 4.18 4.63 3i60A1 ILE 254 HB 0.05 0.12 0.12 -0.04 1.89 2.14 3i60A1 ILE 254 HG12 0.07 0.02 -0.03 -0.04 1.49 1.51 3i60A1 ILE 254 HG13 0.06 0.03 0.18 -0.04 1.21 1.44 3i60A1 ILE 254 HG23 0.05 -0.06 0.01 -0.04 0.93 0.89 3i60A1 ILE 254 HD13 0.08 -0.01 -0.07 -0.04 0.88 0.85 3i60A1 ASN 255 H 0.05 0.22 0.12 -0.55 8.53 8.37 3i60A1 ASN 255 HA 0.03 0.14 0.66 -0.75 4.76 4.84 3i60A1 ASN 255 HB2 0.03 -0.10 0.12 -0.04 2.88 2.88 3i60A1 ASN 255 HB3 0.03 0.13 0.09 -0.04 2.79 3.00 3i60A1 ASN 255 HD21 0.11 0.18 0.11 -0.04 7.03 7.38 3i60A1 ASN 255 HD22 0.05 0.15 -0.10 -0.04 7.74 7.79 3i60A1 LEU 256 H 0.03 0.17 0.15 -0.55 8.37 8.18 3i60A1 LEU 256 HA 0.04 0.12 0.29 -0.75 4.35 4.04 3i60A1 LEU 256 HB2 0.03 -0.03 0.17 -0.04 1.64 1.77 3i60A1 LEU 256 HB3 0.03 0.04 -0.05 -0.04 1.64 1.62 3i60A1 LEU 256 HG 0.02 0.02 0.04 -0.04 1.64 1.67 3i60A1 LEU 256 HD13 0.03 0.01 0.02 -0.04 0.93 0.94 3i60A1 LEU 256 HD23 0.02 0.02 0.03 -0.04 0.89 0.92 3i60A1 LYS 257 H 0.05 0.08 -0.14 -0.55 8.42 7.85 3i60A1 LYS 257 HA 0.06 0.08 0.35 -0.75 4.32 4.06 3i60A1 LYS 257 HB2 0.07 -0.05 0.09 -0.04 1.87 1.94 3i60A1 LYS 257 HB3 0.07 0.06 -0.01 -0.04 1.79 1.86 3i60A1 LYS 257 HG2 0.03 0.03 0.04 -0.04 1.46 1.52 3i60A1 LYS 257 HG3 0.03 -0.06 0.07 -0.04 1.46 1.46 3i60A1 LYS 257 HD2 0.01 0.02 0.02 -0.04 1.69 1.70 3i60A1 LYS 257 HD3 0.02 0.02 0.01 -0.04 1.68 1.69 3i60A1 LYS 257 HE2 0.00 -0.00 0.02 -0.04 2.99 2.97 3i60A1 LYS 257 HE3 -0.01 0.02 0.01 -0.04 2.99 2.98 3i60A1 ALA 258 H 0.11 0.09 -0.14 -0.55 8.40 7.91 3i60A1 ALA 258 HA 0.15 0.03 0.37 -0.75 4.34 4.14 3i60A1 ALA 258 HB3 0.15 0.04 0.09 -0.04 1.41 1.65 3i60A1 ARG 259 H 0.08 0.46 -0.21 -0.55 8.46 8.24 3i60A1 ARG 259 HA 0.06 0.07 0.39 -0.75 4.34 4.11 3i60A1 ARG 259 HB2 0.05 0.04 -0.03 -0.04 1.90 1.93 3i60A1 ARG 259 HB3 0.05 0.01 0.02 -0.04 1.80 1.84 3i60A1 ARG 259 HG2 0.03 -0.01 -0.16 -0.04 1.67 1.49 3i60A1 ARG 259 HG3 0.04 0.02 -0.01 -0.04 1.67 1.68 3i60A1 ARG 259 HD2 0.04 0.00 -0.07 -0.04 3.22 3.15 3i60A1 ARG 259 HD3 0.03 -0.02 -0.09 -0.04 3.22 3.10 3i60A1 ASN 260 H 0.07 0.66 -0.02 -0.55 8.53 8.70 3i60A1 ASN 260 HA 0.03 0.02 0.41 -0.75 4.76 4.47 3i60A1 ASN 260 HB2 0.07 0.09 0.16 -0.04 2.88 3.17 3i60A1 ASN 260 HB3 0.06 -0.04 -0.02 -0.04 2.79 2.75 3i60A1 ASN 260 HD21 0.03 -0.07 -0.03 -0.04 7.03 6.92 3i60A1 ASN 260 HD22 0.04 -0.05 -0.10 -0.04 7.74 7.60 3i60A1 TYR 261 H 0.18 0.56 -0.09 -0.55 8.29 8.39 3i60A1 TYR 261 HA 0.01 0.01 0.43 -0.75 4.56 4.26 3i60A1 TYR 261 HB2 0.02 -0.04 0.09 -0.04 3.06 3.09 3i60A1 TYR 261 HB3 0.01 0.09 0.15 -0.04 2.98 3.19 3i60A1 TYR 261 HD2 -0.02 0.02 -0.03 -0.04 7.15 7.08 3i60A1 TYR 261 HE2 -0.03 0.00 -0.06 -0.04 6.85 6.73 3i60A1 LEU 262 H 0.09 0.57 -0.06 -0.55 8.37 8.43 3i60A1 LEU 262 HA -0.22 -0.00 0.42 -0.75 4.35 3.79 3i60A1 LEU 262 HB2 0.03 0.17 0.21 -0.04 1.64 2.02 3i60A1 LEU 262 HB3 -0.03 0.00 -0.03 -0.04 1.64 1.54 3i60A1 LEU 262 HG -0.05 0.01 0.03 -0.04 1.64 1.59 3i60A1 LEU 262 HD13 0.05 -0.02 -0.02 -0.04 0.93 0.90 3i60A1 LEU 262 HD23 0.08 -0.01 -0.04 -0.04 0.89 0.89 3i60A1 LEU 263 H -0.02 0.47 -0.26 -0.55 8.37 8.00 3i60A1 LEU 263 HA -0.04 0.05 0.51 -0.75 4.35 4.12 3i60A1 LEU 263 HB2 -0.00 0.10 0.17 -0.04 1.64 1.86 3i60A1 LEU 263 HB3 -0.01 -0.06 -0.03 -0.04 1.64 1.49 3i60A1 LEU 263 HG -0.01 -0.04 0.02 -0.04 1.64 1.57 3i60A1 LEU 263 HD13 -0.00 0.04 -0.05 -0.04 0.93 0.87 3i60A1 LEU 263 HD23 0.01 -0.04 -0.07 -0.04 0.89 0.75 3i60A1 SER 264 H -0.08 0.35 -0.23 -0.55 8.46 7.96 3i60A1 SER 264 HA -0.04 0.01 0.56 -0.75 4.49 4.27 3i60A1 SER 264 HB2 -0.02 -0.13 0.09 -0.04 3.95 3.84 3i60A1 SER 264 HB3 -0.01 0.01 0.11 -0.04 3.93 3.99 3i60A1 LEU 265 H -0.22 0.24 -0.27 -0.55 8.37 7.58 3i60A1 LEU 265 HA -0.16 -0.04 0.39 -0.75 4.35 3.78 3i60A1 LEU 265 HB2 -0.21 0.13 0.06 -0.04 1.64 1.58 3i60A1 LEU 265 HB3 -0.18 0.03 0.04 -0.04 1.64 1.49 3i60A1 LEU 265 HG -0.69 0.23 -0.00 -0.04 1.64 1.14 3i60A1 LEU 265 HD13 -0.33 -0.03 -0.06 -0.04 0.93 0.47 3i60A1 LEU 265 HD23 -0.49 -0.05 -0.05 -0.04 0.89 0.26 3i60A1 PRO 266 HA -0.02 0.10 0.57 -0.51 4.44 4.58 3i60A1 PRO 266 HB2 -0.03 0.12 0.02 -0.04 2.28 2.35 3i60A1 PRO 266 HB3 -0.02 -0.04 0.14 -0.04 2.02 2.06 3i60A1 PRO 266 HG2 -0.04 -0.00 0.06 -0.04 2.03 2.00 3i60A1 PRO 266 HG3 -0.04 0.01 0.08 -0.04 2.03 2.05 3i60A1 PRO 266 HD2 -0.08 0.08 0.12 -0.04 3.68 3.75 3i60A1 PRO 266 HD3 -0.08 0.06 0.20 -0.04 3.65 3.79 3i60A1 HIS 267 H 0.08 0.02 0.13 -0.55 8.41 8.09 3i60A1 HIS 267 HA -0.07 0.09 0.49 -0.75 4.63 4.39 3i60A1 HIS 267 HB2 -0.05 0.00 0.12 -0.04 3.26 3.30 3i60A1 HIS 267 HB3 -0.05 -0.05 0.05 -0.04 3.20 3.12 3i60A1 HIS 267 HD2 -0.06 0.04 0.04 -0.04 6.97 6.95 3i60A1 HIS 267 HE1 -0.04 -0.05 -0.10 -0.04 7.75 7.51 3i60A1 LYS 268 H -0.57 0.13 0.20 -0.55 8.42 7.62 3i60A1 LYS 268 HA -0.23 0.13 0.79 -0.75 4.32 4.25 3i60A1 LYS 268 HB2 -0.23 -0.08 0.00 -0.04 1.87 1.52 3i60A1 LYS 268 HB3 -0.18 0.18 -0.05 -0.04 1.79 1.69 3i60A1 LYS 268 HG2 -0.13 -0.01 -0.09 -0.04 1.46 1.19 3i60A1 LYS 268 HG3 -0.15 0.13 -0.37 -0.04 1.46 1.03 3i60A1 LYS 268 HD2 -0.13 -0.03 -0.18 -0.04 1.69 1.31 3i60A1 LYS 268 HD3 -0.12 0.06 -0.35 -0.04 1.68 1.24 3i60A1 LYS 268 HE2 -0.10 -0.02 -0.09 -0.04 2.99 2.74 3i60A1 LYS 268 HE3 -0.11 -0.02 -0.08 -0.04 2.99 2.73 3i60A1 ASN 269 H -0.17 0.14 0.06 -0.55 8.53 8.00 3i60A1 ASN 269 HA -0.15 0.03 0.70 -0.75 4.76 4.59 3i60A1 ASN 269 HB2 -0.07 0.02 0.04 -0.04 2.88 2.82 3i60A1 ASN 269 HB3 -0.05 0.09 0.00 -0.04 2.79 2.80 3i60A1 ASN 269 HD21 0.04 -0.02 -0.04 -0.04 7.03 6.97 3i60A1 ASN 269 HD22 -0.03 0.03 0.01 -0.04 7.74 7.71 3i60A1 LYS 270 H -0.09 0.03 0.12 -0.55 8.42 7.93 3i60A1 LYS 270 HA -0.15 0.21 0.14 -0.75 4.32 3.77 3i60A1 LYS 270 HB2 -0.09 0.25 -0.00 -0.04 1.87 1.98 3i60A1 LYS 270 HB3 -0.07 -0.17 0.11 -0.04 1.79 1.62 3i60A1 LYS 270 HG2 -0.17 -0.15 -0.50 -0.04 1.46 0.60 3i60A1 LYS 270 HG3 -0.22 0.21 -0.09 -0.04 1.46 1.32 3i60A1 LYS 270 HD2 -0.05 0.08 0.02 -0.04 1.69 1.70 3i60A1 LYS 270 HD3 -0.04 -0.08 -0.01 -0.04 1.68 1.51 3i60A1 LYS 270 HE2 0.00 -0.06 -0.02 -0.04 2.99 2.87 3i60A1 LYS 270 HE3 -0.08 -0.08 -0.10 -0.04 2.99 2.69 3i60A1 VAL 271 H -0.21 0.57 0.23 -0.55 8.24 8.28 3i60A1 VAL 271 HA -0.15 0.09 0.82 -0.75 4.13 4.13 3i60A1 VAL 271 HB -0.24 -0.02 0.21 -0.04 2.12 2.03 3i60A1 VAL 271 HG13 -0.16 0.00 -0.11 -0.04 0.97 0.66 3i60A1 VAL 271 HG23 -0.12 0.04 0.07 -0.04 0.95 0.90 3i60A1 PRO 272 HA -0.26 0.05 0.47 -0.51 4.44 4.20 3i60A1 PRO 272 HB2 -0.04 -0.11 -0.00 -0.04 2.28 2.08 3i60A1 PRO 272 HB3 -0.03 -0.00 0.06 -0.04 2.02 2.01 3i60A1 PRO 272 HG2 -0.05 0.03 0.06 -0.04 2.03 2.02 3i60A1 PRO 272 HG3 -0.06 0.07 0.05 -0.04 2.03 2.04 3i60A1 PRO 272 HD2 -0.10 0.07 0.21 -0.04 3.68 3.81 3i60A1 PRO 272 HD3 -0.11 0.43 0.20 -0.04 3.65 4.12 3i60A1 TRP 273 H -0.19 0.18 0.17 -0.55 7.97 7.57 3i60A1 TRP 273 HA 0.11 0.17 0.41 -0.75 4.62 4.55 3i60A1 TRP 273 HB2 0.05 -0.06 0.08 -0.04 3.23 3.26 3i60A1 TRP 273 HB3 0.11 0.01 0.02 -0.04 3.23 3.33 3i60A1 TRP 273 HD1 0.03 -0.06 0.05 -0.04 7.22 7.19 3i60A1 TRP 273 HE1 0.04 0.03 0.03 -0.04 10.20 10.26 3i60A1 TRP 273 HE3 0.28 -0.06 -0.01 -0.04 7.59 7.77 3i60A1 TRP 273 HZ2 0.06 0.14 0.01 -0.04 7.44 7.61 3i60A1 TRP 273 HZ3 0.10 -0.00 -0.05 -0.04 7.13 7.14 3i60A1 TRP 273 HH2 0.11 0.02 -0.03 -0.04 7.19 7.24 3i60A1 ASN 274 H 0.18 0.08 -0.20 -0.55 8.53 8.04 3i60A1 ASN 274 HA 0.17 0.18 0.18 -0.75 4.76 4.54 3i60A1 ASN 274 HB2 0.08 0.09 0.06 -0.04 2.88 3.07 3i60A1 ASN 274 HB3 0.12 -0.05 0.03 -0.04 2.79 2.84 3i60A1 ASN 274 HD21 0.04 0.01 -0.05 -0.04 7.03 6.98 3i60A1 ASN 274 HD22 0.05 -0.01 -0.02 -0.04 7.74 7.72 3i60A1 ARG 275 H 0.03 0.26 -0.69 -0.55 8.46 7.50 3i60A1 ARG 275 HA -0.01 0.14 0.76 -0.75 4.34 4.47 3i60A1 ARG 275 HB2 -0.03 -0.11 -0.01 -0.04 1.90 1.71 3i60A1 ARG 275 HB3 -0.07 0.17 0.01 -0.04 1.80 1.87 3i60A1 ARG 275 HG2 -0.06 0.05 -0.09 -0.04 1.67 1.53 3i60A1 ARG 275 HG3 -0.03 -0.03 0.07 -0.04 1.67 1.64 3i60A1 ARG 275 HD2 -0.06 0.04 0.00 -0.04 3.22 3.16 3i60A1 ARG 275 HD3 -0.05 -0.01 -0.01 -0.04 3.22 3.11 3i60A1 LEU 276 H -0.04 0.26 -0.07 -0.55 8.37 7.97 3i60A1 LEU 276 HA -0.24 0.09 0.62 -0.75 4.35 4.06 3i60A1 LEU 276 HB2 -0.15 0.06 0.09 -0.04 1.64 1.60 3i60A1 LEU 276 HB3 -0.61 -0.01 -0.05 -0.04 1.64 0.94 3i60A1 LEU 276 HG -0.21 0.00 -0.01 -0.04 1.64 1.38 3i60A1 LEU 276 HD13 -0.14 0.00 -0.03 -0.04 0.93 0.72 3i60A1 LEU 276 HD23 -0.37 0.00 0.05 -0.04 0.89 0.53 3i60A1 PHE 277 H 0.11 0.51 -0.10 -0.55 8.34 8.32 3i60A1 PHE 277 HA 0.03 0.22 0.72 -0.75 4.62 4.83 3i60A1 PHE 277 HB2 0.06 -0.02 0.08 -0.04 3.15 3.23 3i60A1 PHE 277 HB3 0.01 -0.10 0.06 -0.04 3.06 2.99 3i60A1 PHE 277 HD2 0.12 0.01 -0.07 -0.04 7.28 7.30 3i60A1 PHE 277 HE2 0.14 0.06 -0.02 -0.04 7.38 7.52 3i60A1 PHE 277 HZ -0.05 -0.03 -0.02 -0.04 7.32 7.18 3i60A1 PRO 278 HA 0.06 0.37 0.21 -0.51 4.44 4.58 3i60A1 PRO 278 HB2 0.03 -0.04 -0.00 -0.04 2.28 2.23 3i60A1 PRO 278 HB3 0.02 0.01 0.09 -0.04 2.02 2.10 3i60A1 PRO 278 HG2 0.00 -0.00 0.00 -0.04 2.03 1.99 3i60A1 PRO 278 HG3 -0.01 0.19 -0.05 -0.04 2.03 2.13 3i60A1 PRO 278 HD2 0.04 0.05 -0.02 -0.04 3.68 3.72 3i60A1 PRO 278 HD3 -0.04 0.30 -0.61 -0.04 3.65 3.26 3i60A1 ASN 279 H 0.10 0.12 -0.35 -0.55 8.53 7.85 3i60A1 ASN 279 HA 0.06 0.18 0.70 -0.75 4.76 4.94 3i60A1 ASN 279 HB2 0.09 0.05 0.01 -0.04 2.88 2.98 3i60A1 ASN 279 HB3 0.06 -0.05 0.13 -0.04 2.79 2.89 3i60A1 ASN 279 HD21 0.03 0.00 -0.09 -0.04 7.03 6.93 3i60A1 ASN 279 HD22 0.04 0.04 -0.12 -0.04 7.74 7.66 3i60A1 ALA 280 H 0.10 0.55 -0.25 -0.55 8.40 8.26 3i60A1 ALA 280 HA 0.03 0.03 0.54 -0.75 4.34 4.18 3i60A1 ALA 280 HB3 -0.00 0.02 0.00 -0.04 1.41 1.39 3i60A1 ASP 281 H 0.00 0.12 0.19 -0.55 8.40 8.16 3i60A1 ASP 281 HA 0.03 0.08 0.54 -0.75 4.63 4.53 3i60A1 ASP 281 HB2 0.08 0.11 0.21 -0.04 2.71 3.07 3i60A1 ASP 281 HB3 -0.04 -0.06 0.20 -0.04 2.70 2.76 3i60A1 SER 282 H 0.03 0.20 0.22 -0.55 8.46 8.36 3i60A1 SER 282 HA 0.01 0.14 0.33 -0.75 4.49 4.22 3i60A1 SER 282 HB2 0.04 0.02 0.10 -0.04 3.95 4.06 3i60A1 SER 282 HB3 0.04 0.12 0.14 -0.04 3.93 4.19 3i60A1 LYS 283 H 0.04 0.06 -0.28 -0.55 8.42 7.68 3i60A1 LYS 283 HA 0.11 0.13 0.57 -0.75 4.32 4.38 3i60A1 LYS 283 HB2 0.25 -0.01 0.05 -0.04 1.87 2.12 3i60A1 LYS 283 HB3 0.32 -0.03 -0.05 -0.04 1.79 1.99 3i60A1 LYS 283 HG2 0.08 0.04 -0.02 -0.04 1.46 1.52 3i60A1 LYS 283 HG3 0.08 -0.03 -0.01 -0.04 1.46 1.46 3i60A1 LYS 283 HD2 0.12 0.03 -0.07 -0.04 1.69 1.73 3i60A1 LYS 283 HD3 0.09 -0.02 -0.28 -0.04 1.68 1.43 3i60A1 LYS 283 HE2 0.02 0.01 -0.04 -0.04 2.99 2.94 3i60A1 LYS 283 HE3 0.04 -0.02 -0.02 -0.04 2.99 2.94 3i60A1 ALA 284 H -0.31 0.08 -0.16 -0.55 8.40 7.46 3i60A1 ALA 284 HA -1.22 0.05 0.44 -0.75 4.34 2.86 3i60A1 ALA 284 HB3 -0.70 0.07 0.07 -0.04 1.41 0.82 3i60A1 LEU 285 H -0.21 0.39 -0.33 -0.55 8.37 7.67 3i60A1 LEU 285 HA -0.38 0.07 0.30 -0.75 4.35 3.59 3i60A1 LEU 285 HB2 -0.03 0.07 0.03 -0.04 1.64 1.66 3i60A1 LEU 285 HB3 0.02 -0.06 -0.07 -0.04 1.64 1.49 3i60A1 LEU 285 HG -0.07 0.12 -0.22 -0.04 1.64 1.43 3i60A1 LEU 285 HD13 0.16 0.00 -0.25 -0.04 0.93 0.81 3i60A1 LEU 285 HD23 -0.09 -0.01 -0.13 -0.04 0.89 0.61 3i60A1 ASP 286 H -0.10 0.40 -0.20 -0.55 8.40 7.95 3i60A1 ASP 286 HA -0.05 0.05 0.49 -0.75 4.63 4.37 3i60A1 ASP 286 HB2 0.06 0.07 0.17 -0.04 2.71 2.96 3i60A1 ASP 286 HB3 0.18 0.03 0.15 -0.04 2.70 3.03 3i60A1 LEU 287 H -0.37 0.46 -0.16 -0.55 8.37 7.75 3i60A1 LEU 287 HA -0.47 0.05 0.46 -0.75 4.35 3.63 3i60A1 LEU 287 HB2 -1.37 -0.06 0.08 -0.04 1.64 0.25 3i60A1 LEU 287 HB3 -0.49 0.09 0.13 -0.04 1.64 1.32 3i60A1 LEU 287 HG -0.28 -0.01 -0.24 -0.04 1.64 1.07 3i60A1 LEU 287 HD13 -0.23 -0.01 0.00 -0.04 0.93 0.65 3i60A1 LEU 287 HD23 -0.08 -0.00 -0.09 -0.04 0.89 0.68 3i60A1 LEU 288 H -0.46 0.67 -0.06 -0.55 8.37 7.97 3i60A1 LEU 288 HA -0.45 -0.03 0.35 -0.75 4.35 3.47 3i60A1 LEU 288 HB2 -0.55 0.03 0.06 -0.04 1.64 1.13 3i60A1 LEU 288 HB3 -0.73 0.07 0.13 -0.04 1.64 1.07 3i60A1 LEU 288 HG -1.36 0.04 -0.22 -0.04 1.64 0.06 3i60A1 LEU 288 HD13 -0.49 -0.04 0.02 -0.04 0.93 0.38 3i60A1 LEU 288 HD23 -0.62 -0.01 -0.09 -0.04 0.89 0.13 3i60A1 ASP 289 H -0.60 0.54 -0.33 -0.55 8.40 7.46 3i60A1 ASP 289 HA -0.52 0.04 0.34 -0.75 4.63 3.74 3i60A1 ASP 289 HB2 -0.35 -0.01 0.13 -0.04 2.71 2.44 3i60A1 ASP 289 HB3 -0.11 0.19 0.13 -0.04 2.70 2.86 3i60A1 LYS 290 H -0.19 0.39 -0.33 -0.55 8.42 7.73 3i60A1 LYS 290 HA 0.02 0.07 0.32 -0.75 4.32 3.99 3i60A1 LYS 290 HB2 -0.08 0.07 0.13 -0.04 1.87 1.95 3i60A1 LYS 290 HB3 0.01 -0.10 0.08 -0.04 1.79 1.73 3i60A1 LYS 290 HG2 0.04 -0.03 -0.01 -0.04 1.46 1.42 3i60A1 LYS 290 HG3 -0.02 0.33 0.10 -0.04 1.46 1.83 3i60A1 LYS 290 HD2 0.10 -0.04 -0.03 -0.04 1.69 1.68 3i60A1 LYS 290 HD3 0.07 -0.03 -0.01 -0.04 1.68 1.66 3i60A1 LYS 290 HE2 0.13 -0.02 -0.06 -0.04 2.99 3.00 3i60A1 LYS 290 HE3 0.10 -0.04 -0.03 -0.04 2.99 2.99 3i60A1 MET 291 H -0.19 0.42 -0.17 -0.55 8.47 7.98 3i60A1 MET 291 HA -0.02 0.03 0.66 -0.75 4.52 4.43 3i60A1 MET 291 HB2 -0.25 0.08 0.12 -0.04 2.15 2.06 3i60A1 MET 291 HB3 -0.15 0.03 -0.04 -0.04 2.03 1.83 3i60A1 MET 291 HG2 -0.07 -0.03 -0.06 -0.04 2.63 2.43 3i60A1 MET 291 HG3 -0.15 0.09 -0.07 -0.04 2.56 2.39 3i60A1 MET 291 HE3 -0.25 0.02 -0.17 -0.04 2.10 1.65 3i60A1 LEU 292 H -0.26 0.62 -0.04 -0.55 8.37 8.14 3i60A1 LEU 292 HA -0.63 0.08 0.58 -0.75 4.35 3.63 3i60A1 LEU 292 HB2 -0.23 0.08 0.11 -0.04 1.64 1.56 3i60A1 LEU 292 HB3 -0.12 -0.03 0.11 -0.04 1.64 1.57 3i60A1 LEU 292 HG -0.49 -0.02 -0.03 -0.04 1.64 1.06 3i60A1 LEU 292 HD13 -0.24 -0.01 -0.13 -0.04 0.93 0.51 3i60A1 LEU 292 HD23 -1.22 -0.02 -0.10 -0.04 0.89 -0.50 3i60A1 THR 293 H 0.21 0.36 -0.81 -0.55 8.28 7.48 3i60A1 THR 293 HA 0.31 0.08 0.70 -0.75 4.39 4.73 3i60A1 THR 293 HB 0.17 0.05 -0.08 -0.04 4.32 4.42 3i60A1 THR 293 HG23 0.17 -0.01 -0.29 -0.04 1.22 1.04 3i60A1 PHE 294 H 0.43 0.15 0.07 -0.55 8.34 8.44 3i60A1 PHE 294 HA 0.15 0.06 0.20 -0.75 4.62 4.27 3i60A1 PHE 294 HB2 0.13 0.09 0.08 -0.04 3.15 3.42 3i60A1 PHE 294 HB3 0.08 -0.12 0.10 -0.04 3.06 3.08 3i60A1 PHE 294 HD2 -0.00 -0.03 -0.11 -0.04 7.28 7.10 3i60A1 PHE 294 HE2 -0.07 0.12 -0.11 -0.04 7.38 7.27 3i60A1 PHE 294 HZ -0.06 0.00 -0.08 -0.04 7.32 7.14 3i60A1 ASN 295 H 0.26 0.03 -0.13 -0.55 8.53 8.15 3i60A1 ASN 295 HA -0.04 0.20 0.56 -0.75 4.76 4.73 3i60A1 ASN 295 HB2 0.18 0.02 0.04 -0.04 2.88 3.08 3i60A1 ASN 295 HB3 0.14 -0.03 0.08 -0.04 2.79 2.94 3i60A1 ASN 295 HD21 0.19 0.03 -0.07 -0.04 7.03 7.14 3i60A1 ASN 295 HD22 0.13 -0.02 -0.09 -0.04 7.74 7.72 3i60A1 PRO 296 HA -0.01 0.18 0.34 -0.51 4.44 4.44 3i60A1 PRO 296 HB2 -0.16 -0.05 -0.00 -0.04 2.28 2.02 3i60A1 PRO 296 HB3 -0.14 0.01 0.10 -0.04 2.02 1.94 3i60A1 PRO 296 HG2 -0.65 0.00 0.07 -0.04 2.03 1.41 3i60A1 PRO 296 HG3 -0.27 0.05 0.09 -0.04 2.03 1.87 3i60A1 PRO 296 HD2 -0.22 0.08 0.24 -0.04 3.68 3.74 3i60A1 PRO 296 HD3 -0.28 0.33 0.33 -0.04 3.65 3.99 3i60A1 HIS 297 H -0.24 0.11 -0.25 -0.55 8.41 7.48 3i60A1 HIS 297 HA 0.04 0.11 0.55 -0.75 4.63 4.57 3i60A1 HIS 297 HB2 0.05 -0.00 -0.03 -0.04 3.26 3.23 3i60A1 HIS 297 HB3 0.04 0.02 0.05 -0.04 3.20 3.27 3i60A1 HIS 297 HD2 0.04 0.04 -0.01 -0.04 6.97 6.99 3i60A1 HIS 297 HE1 0.02 0.01 -0.03 -0.04 7.75 7.71 3i60A1 LYS 298 H 0.10 0.23 -0.31 -0.55 8.42 7.89 3i60A1 LYS 298 HA 0.10 0.13 0.68 -0.75 4.32 4.48 3i60A1 LYS 298 HB2 0.12 0.07 -0.00 -0.04 1.87 2.02 3i60A1 LYS 298 HB3 0.10 -0.01 0.08 -0.04 1.79 1.92 3i60A1 LYS 298 HG2 0.10 0.02 -0.06 -0.04 1.46 1.48 3i60A1 LYS 298 HG3 0.13 -0.10 -0.17 -0.04 1.46 1.28 3i60A1 LYS 298 HD2 0.12 -0.03 -0.03 -0.04 1.69 1.71 3i60A1 LYS 298 HD3 0.10 0.02 -0.02 -0.04 1.68 1.73 3i60A1 LYS 298 HE2 0.08 0.01 -0.04 -0.04 2.99 3.00 3i60A1 LYS 298 HE3 0.11 0.00 -0.07 -0.04 2.99 2.99 3i60A1 ARG 299 H 0.08 0.06 -0.42 -0.55 8.46 7.63 3i60A1 ARG 299 HA 0.10 0.20 0.59 -0.75 4.34 4.48 3i60A1 ARG 299 HB2 0.11 0.01 0.07 -0.04 1.90 2.05 3i60A1 ARG 299 HB3 0.09 -0.04 0.08 -0.04 1.80 1.89 3i60A1 ARG 299 HG2 0.10 -0.01 0.06 -0.04 1.67 1.77 3i60A1 ARG 299 HG3 0.14 0.09 0.19 -0.04 1.67 2.04 3i60A1 ARG 299 HD2 0.17 -0.10 0.12 -0.04 3.22 3.37 3i60A1 ARG 299 HD3 0.27 0.00 0.08 -0.04 3.22 3.53 3i60A1 ILE 300 H 0.05 0.54 0.19 -0.55 8.25 8.48 3i60A1 ILE 300 HA 0.05 -0.01 0.37 -0.75 4.18 3.83 3i60A1 ILE 300 HB 0.02 0.04 0.02 -0.04 1.89 1.93 3i60A1 ILE 300 HG12 0.02 0.10 -0.22 -0.04 1.49 1.35 3i60A1 ILE 300 HG13 0.04 -0.08 -0.02 -0.04 1.21 1.11 3i60A1 ILE 300 HG23 -0.02 0.02 -0.24 -0.04 0.93 0.65 3i60A1 ILE 300 HD13 0.04 0.02 -0.26 -0.04 0.88 0.63 3i60A1 GLU 301 H 0.05 0.07 0.16 -0.55 8.60 8.33 3i60A1 GLU 301 HA 0.08 0.19 0.70 -0.75 4.29 4.51 3i60A1 GLU 301 HB2 0.05 -0.05 0.11 -0.04 2.09 2.17 3i60A1 GLU 301 HB3 0.07 -0.11 0.14 -0.04 1.99 2.05 3i60A1 GLU 301 HG2 0.07 -0.01 0.03 -0.04 2.34 2.38 3i60A1 GLU 301 HG3 0.06 0.20 0.01 -0.04 2.34 2.57 3i60A1 VAL 302 H 0.11 0.19 0.13 -0.55 8.24 8.12 3i60A1 VAL 302 HA 0.01 0.11 0.14 -0.75 4.13 3.64 3i60A1 VAL 302 HB 0.05 0.02 0.07 -0.04 2.12 2.21 3i60A1 VAL 302 HG13 0.07 0.03 0.00 -0.04 0.97 1.03 3i60A1 VAL 302 HG23 -0.08 0.00 -0.11 -0.04 0.95 0.72 3i60A1 GLU 303 H 0.05 0.09 -0.11 -0.55 8.60 8.09 3i60A1 GLU 303 HA 0.04 0.14 0.41 -0.75 4.29 4.12 3i60A1 GLU 303 HB2 0.05 -0.05 0.06 -0.04 2.09 2.10 3i60A1 GLU 303 HB3 0.06 0.06 -0.05 -0.04 1.99 2.03 3i60A1 GLU 303 HG2 0.06 -0.05 -0.01 -0.04 2.34 2.30 3i60A1 GLU 303 HG3 0.06 0.04 0.02 -0.04 2.34 2.41 3i60A1 GLN 304 H 0.03 0.05 -0.22 -0.55 8.47 7.78 3i60A1 GLN 304 HA -0.00 0.09 0.39 -0.75 4.36 4.08 3i60A1 GLN 304 HB2 0.03 0.07 0.02 -0.04 2.15 2.23 3i60A1 GLN 304 HB3 0.03 0.04 0.03 -0.04 2.02 2.09 3i60A1 GLN 304 HG2 0.03 0.05 -0.01 -0.04 2.40 2.43 3i60A1 GLN 304 HG3 0.04 -0.14 0.02 -0.04 2.39 2.26 3i60A1 GLN 304 HE21 0.04 0.06 0.00 -0.04 6.97 7.04 3i60A1 GLN 304 HE22 0.04 0.00 -0.01 -0.04 7.69 7.68 3i60A1 ALA 305 H 0.01 0.39 -0.41 -0.55 8.40 7.84 3i60A1 ALA 305 HA 0.01 0.01 0.37 -0.75 4.34 3.98 3i60A1 ALA 305 HB3 -0.02 0.04 -0.05 -0.04 1.41 1.35 3i60A1 LEU 306 H -0.03 0.49 -0.06 -0.55 8.37 8.22 3i60A1 LEU 306 HA 0.03 0.00 0.34 -0.75 4.35 3.97 3i60A1 LEU 306 HB2 -0.05 0.07 0.14 -0.04 1.64 1.76 3i60A1 LEU 306 HB3 0.03 -0.05 -0.04 -0.04 1.64 1.54 3i60A1 LEU 306 HG 0.01 0.01 -0.01 -0.04 1.64 1.61 3i60A1 LEU 306 HD13 0.07 -0.01 -0.13 -0.04 0.93 0.82 3i60A1 LEU 306 HD23 0.12 -0.02 -0.06 -0.04 0.89 0.90 3i60A1 ALA 307 H -0.26 0.37 -0.47 -0.55 8.40 7.48 3i60A1 ALA 307 HA -1.00 0.05 0.33 -0.75 4.34 2.96 3i60A1 ALA 307 HB3 -0.22 -0.02 0.04 -0.04 1.41 1.17 3i60A1 HIS 308 H 0.01 0.43 -0.55 -0.55 8.41 7.76 3i60A1 HIS 308 HA -0.03 0.06 0.39 -0.75 4.63 4.30 3i60A1 HIS 308 HB2 -0.02 0.10 0.15 -0.04 3.26 3.45 3i60A1 HIS 308 HB3 0.02 0.03 0.08 -0.04 3.20 3.29 3i60A1 HIS 308 HD2 -0.01 0.06 -0.02 -0.04 6.97 6.95 3i60A1 HIS 308 HE1 0.02 0.04 0.09 -0.04 7.75 7.85 3i60A1 PRO 309 HA -0.05 0.12 0.37 -0.51 4.44 4.37 3i60A1 PRO 309 HB2 -0.14 -0.05 0.06 -0.04 2.28 2.11 3i60A1 PRO 309 HB3 -0.07 0.03 0.10 -0.04 2.02 2.04 3i60A1 PRO 309 HG2 -0.26 0.02 0.09 -0.04 2.03 1.85 3i60A1 PRO 309 HG3 -0.15 0.09 0.11 -0.04 2.03 2.04 3i60A1 PRO 309 HD2 -1.45 0.06 0.20 -0.04 3.68 2.45 3i60A1 PRO 309 HD3 -0.34 0.23 0.23 -0.04 3.65 3.73 3i60A1 TYR 310 H 0.59 0.14 -0.31 -0.55 8.29 8.16 3i60A1 TYR 310 HA 0.08 -0.01 0.33 -0.75 4.56 4.19 3i60A1 TYR 310 HB2 0.16 -0.06 -0.30 -0.04 3.06 2.82 3i60A1 TYR 310 HB3 0.15 0.10 -0.11 -0.04 2.98 3.08 3i60A1 TYR 310 HD2 0.00 -0.00 -0.08 -0.04 7.15 7.03 3i60A1 TYR 310 HE2 -0.01 0.01 -0.03 -0.04 6.85 6.78 3i60A1 LEU 311 H 0.12 0.67 -0.40 -0.55 8.37 8.21 3i60A1 LEU 311 HA -0.11 0.13 0.88 -0.75 4.35 4.49 3i60A1 LEU 311 HB2 0.08 0.33 0.06 -0.04 1.64 2.07 3i60A1 LEU 311 HB3 0.13 -0.09 0.17 -0.04 1.64 1.81 3i60A1 LEU 311 HG 0.15 -0.12 -0.24 -0.04 1.64 1.39 3i60A1 LEU 311 HD13 0.15 0.04 -0.13 -0.04 0.93 0.95 3i60A1 LEU 311 HD23 0.05 -0.02 -0.04 -0.04 0.89 0.84 3i60A1 GLU 312 H -0.02 0.47 -0.20 -0.55 8.60 8.31 3i60A1 GLU 312 HA 0.07 0.10 0.21 -0.75 4.29 3.91 3i60A1 GLU 312 HB2 0.01 -0.01 0.09 -0.04 2.09 2.14 3i60A1 GLU 312 HB3 -0.01 0.07 0.16 -0.04 1.99 2.18 3i60A1 GLU 312 HG2 -0.04 0.04 0.04 -0.04 2.34 2.33 3i60A1 GLU 312 HG3 -0.08 -0.03 -0.17 -0.04 2.34 2.02 3i60A1 GLN 313 H -0.15 0.08 -0.46 -0.55 8.47 7.39 3i60A1 GLN 313 HA -0.24 0.08 0.36 -0.75 4.36 3.81 3i60A1 GLN 313 HB2 -0.25 -0.04 0.04 -0.04 2.15 1.85 3i60A1 GLN 313 HB3 -0.44 0.01 -0.01 -0.04 2.02 1.54 3i60A1 GLN 313 HG2 -0.96 0.05 -0.08 -0.04 2.40 1.37 3i60A1 GLN 313 HG3 -0.38 -0.01 0.05 -0.04 2.39 2.02 3i60A1 GLN 313 HE21 -0.17 -0.08 -0.01 -0.04 6.97 6.67 3i60A1 GLN 313 HE22 -0.79 0.05 -0.06 -0.04 7.69 6.85 3i60A1 TYR 314 H -0.13 0.42 -0.18 -0.55 8.29 7.85 3i60A1 TYR 314 HA -0.31 0.18 0.87 -0.75 4.56 4.55 3i60A1 TYR 314 HB2 -0.50 0.04 0.04 -0.04 3.06 2.60 3i60A1 TYR 314 HB3 -1.34 -0.02 0.01 -0.04 2.98 1.59 3i60A1 TYR 314 HD2 -0.17 0.02 -0.06 -0.04 7.15 6.90 3i60A1 TYR 314 HE2 -0.28 -0.03 -0.05 -0.04 6.85 6.45 3i60A1 TYR 315 H 0.04 0.36 0.05 -0.55 8.29 8.18 3i60A1 TYR 315 HA 0.13 -0.05 0.36 -0.75 4.56 4.24 3i60A1 TYR 315 HB2 0.05 0.19 -0.02 -0.04 3.06 3.25 3i60A1 TYR 315 HB3 -0.01 -0.01 0.04 -0.04 2.98 2.97 3i60A1 TYR 315 HD2 0.11 -0.01 -0.09 -0.04 7.15 7.12 3i60A1 TYR 315 HE2 0.06 -0.02 -0.09 -0.04 6.85 6.77 3i60A1 ASP 316 H 0.15 0.14 -0.00 -0.55 8.40 8.14 3i60A1 ASP 316 HA -0.24 0.12 0.57 -0.75 4.63 4.34 3i60A1 ASP 316 HB2 -0.04 0.20 -0.19 -0.04 2.71 2.64 3i60A1 ASP 316 HB3 0.05 0.05 0.12 -0.04 2.70 2.88 3i60A1 PRO 317 HA -0.01 0.11 0.32 -0.51 4.44 4.35 3i60A1 PRO 317 HB2 -0.09 0.03 -0.09 -0.04 2.28 2.09 3i60A1 PRO 317 HB3 -0.03 0.04 0.05 -0.04 2.02 2.04 3i60A1 PRO 317 HG2 -0.28 0.05 -0.00 -0.04 2.03 1.76 3i60A1 PRO 317 HG3 -0.87 0.05 -0.01 -0.04 2.03 1.16 3i60A1 PRO 317 HD2 -0.31 0.08 0.08 -0.04 3.68 3.49 3i60A1 PRO 317 HD3 -0.96 0.22 -0.12 -0.04 3.65 2.74 3i60A1 SER 318 H -0.09 0.07 -0.41 -0.55 8.46 7.49 3i60A1 SER 318 HA -0.01 0.08 0.49 -0.75 4.49 4.29 3i60A1 SER 318 HB2 -0.03 -0.00 -0.01 -0.04 3.95 3.87 3i60A1 SER 318 HB3 -0.01 0.02 -0.04 -0.04 3.93 3.86 3i60A1 ASP 319 H 0.02 0.52 -0.28 -0.55 8.40 8.10 3i60A1 ASP 319 HA 0.03 0.14 0.75 -0.75 4.63 4.80 3i60A1 ASP 319 HB2 0.02 -0.07 -0.06 -0.04 2.71 2.56 3i60A1 ASP 319 HB3 0.06 0.06 0.15 -0.04 2.70 2.93 3i60A1 GLU 320 H 0.07 0.27 -0.43 -0.55 8.60 7.96 3i60A1 GLU 320 HA 0.13 0.13 0.79 -0.75 4.29 4.59 3i60A1 GLU 320 HB2 0.12 -0.02 0.05 -0.04 2.09 2.20 3i60A1 GLU 320 HB3 0.13 -0.01 0.09 -0.04 1.99 2.15 3i60A1 GLU 320 HG2 0.14 -0.01 0.01 -0.04 2.34 2.44 3i60A1 GLU 320 HG3 0.21 0.16 -0.40 -0.04 2.34 2.28 3i60A1 PRO 321 HA 0.11 0.06 0.25 -0.51 4.44 4.34 3i60A1 PRO 321 HB2 0.21 0.11 0.02 -0.04 2.28 2.58 3i60A1 PRO 321 HB3 0.09 0.02 0.09 -0.04 2.02 2.18 3i60A1 PRO 321 HG2 0.16 -0.01 0.06 -0.04 2.03 2.19 3i60A1 PRO 321 HG3 -0.03 0.02 0.05 -0.04 2.03 2.03 3i60A1 PRO 321 HD2 0.14 0.08 0.09 -0.04 3.68 3.95 3i60A1 PRO 321 HD3 0.04 0.12 -0.18 -0.04 3.65 3.59 3i60A1 ILE 322 H 0.10 0.16 0.18 -0.55 8.25 8.14 3i60A1 ILE 322 HA -0.01 0.14 0.82 -0.75 4.18 4.37 3i60A1 ILE 322 HB -0.07 0.00 0.09 -0.04 1.89 1.86 3i60A1 ILE 322 HG12 0.03 -0.07 0.03 -0.04 1.49 1.44 3i60A1 ILE 322 HG13 -0.00 0.09 -0.28 -0.04 1.21 0.97 3i60A1 ILE 322 HG23 0.02 0.02 -0.11 -0.04 0.93 0.83 3i60A1 ILE 322 HD13 0.00 -0.00 -0.03 -0.04 0.88 0.81 3i60A1 ALA 323 H -0.43 0.11 0.07 -0.55 8.40 7.60 3i60A1 ALA 323 HA -0.31 0.03 0.47 -0.75 4.34 3.77 3i60A1 ALA 323 HB3 -0.48 0.06 -0.06 -0.04 1.41 0.88 3i60A1 GLU 324 H 0.01 0.12 0.19 -0.55 8.60 8.37 3i60A1 GLU 324 HA 0.01 0.03 0.39 -0.75 4.29 3.97 3i60A1 GLU 324 HB2 0.04 0.00 0.09 -0.04 2.09 2.18 3i60A1 GLU 324 HB3 0.03 -0.03 0.09 -0.04 1.99 2.04 3i60A1 GLU 324 HG2 0.06 0.00 0.08 -0.04 2.34 2.45 3i60A1 GLU 324 HG3 0.06 0.01 0.11 -0.04 2.34 2.49 3i60A1 ALA 325 H 0.01 0.16 -0.06 -0.55 8.40 7.96 3i60A1 ALA 325 HA -0.01 0.17 0.57 -0.75 4.34 4.32 3i60A1 ALA 325 HB3 0.01 -0.00 -0.01 -0.04 1.41 1.37 3i60A1 PRO 326 HA 0.04 0.08 0.57 -0.51 4.44 4.61 3i60A1 PRO 326 HB2 0.02 0.08 -0.08 -0.04 2.28 2.26 3i60A1 PRO 326 HB3 0.02 0.05 0.04 -0.04 2.02 2.08 3i60A1 PRO 326 HG2 -0.00 -0.02 0.06 -0.04 2.03 2.02 3i60A1 PRO 326 HG3 0.00 0.00 0.06 -0.04 2.03 2.06 3i60A1 PRO 326 HD2 -0.00 0.05 0.22 -0.04 3.68 3.91 3i60A1 PRO 326 HD3 -0.01 0.18 0.07 -0.04 3.65 3.86 3i60A1 PHE 327 H 0.20 0.72 0.32 -0.55 8.34 9.02 3i60A1 PHE 327 HA -0.05 0.07 0.63 -0.75 4.62 4.51 3i60A1 PHE 327 HB2 0.10 0.02 0.11 -0.04 3.15 3.34 3i60A1 PHE 327 HB3 -0.04 -0.00 0.02 -0.04 3.06 3.00 3i60A1 PHE 327 HD2 -0.26 -0.02 -0.13 -0.04 7.28 6.83 3i60A1 PHE 327 HE2 -0.92 0.00 -0.09 -0.04 7.38 6.33 3i60A1 PHE 327 HZ -0.18 -0.06 -0.20 -0.04 7.32 6.83 3i60A1 LYS 328 H -0.94 0.27 0.20 -0.55 8.42 7.39 3i60A1 LYS 328 HA -0.16 0.08 0.55 -0.75 4.32 4.03 3i60A1 LYS 328 HB2 -0.12 0.09 -0.29 -0.04 1.87 1.50 3i60A1 LYS 328 HB3 -0.18 -0.04 -0.10 -0.04 1.79 1.43 3i60A1 LYS 328 HG2 -0.02 -0.02 0.04 -0.04 1.46 1.42 3i60A1 LYS 328 HG3 -0.02 0.05 0.07 -0.04 1.46 1.51 3i60A1 LYS 328 HD2 -0.04 0.00 -0.07 -0.04 1.69 1.55 3i60A1 LYS 328 HD3 -0.04 -0.02 -0.11 -0.04 1.68 1.46 3i60A1 LYS 328 HE2 0.01 0.04 -0.02 -0.04 2.99 2.98 3i60A1 LYS 328 HE3 0.00 -0.00 -0.01 -0.04 2.99 2.94 3i60A1 PHE 329 H 0.04 0.18 0.11 -0.55 8.34 8.11 3i60A1 PHE 329 HA -0.09 0.13 0.91 -0.75 4.62 4.81 3i60A1 PHE 329 HB2 0.03 -0.02 0.14 -0.04 3.15 3.26 3i60A1 PHE 329 HB3 0.02 0.12 0.07 -0.04 3.06 3.22 3i60A1 PHE 329 HD2 0.10 -0.02 0.04 -0.04 7.28 7.35 3i60A1 PHE 329 HE2 0.19 -0.01 -0.02 -0.04 7.38 7.50 3i60A1 PHE 329 HZ 0.12 0.10 -0.02 -0.04 7.32 7.48 3i60A1 ASP 330 H 0.08 0.15 0.13 -0.55 8.40 8.21 3i60A1 ASP 330 HA 0.01 0.08 0.39 -0.75 4.63 4.36 3i60A1 ASP 330 HB2 0.05 -0.06 0.16 -0.04 2.71 2.82 3i60A1 ASP 330 HB3 0.03 -0.00 -0.03 -0.04 2.70 2.66 3i60A1 MET 331 H 0.09 0.04 -0.07 -0.55 8.47 7.99 3i60A1 MET 331 HA 0.03 0.17 0.68 -0.75 4.52 4.64 3i60A1 MET 331 HB2 0.02 -0.02 -0.08 -0.04 2.15 2.04 3i60A1 MET 331 HB3 0.01 0.02 -0.07 -0.04 2.03 1.95 3i60A1 MET 331 HG2 0.02 0.05 -0.10 -0.04 2.63 2.57 3i60A1 MET 331 HG3 0.03 -0.06 -0.11 -0.04 2.56 2.38 3i60A1 MET 331 HE3 0.02 0.01 -0.04 -0.04 2.10 2.04 3i60A1 GLU 332 H 0.01 0.17 0.09 -0.55 8.60 8.32 3i60A1 GLU 332 HA -0.01 0.16 0.76 -0.75 4.29 4.44 3i60A1 GLU 332 HB2 0.01 0.10 0.11 -0.04 2.09 2.27 3i60A1 GLU 332 HB3 -0.01 -0.03 0.19 -0.04 1.99 2.10 3i60A1 GLU 332 HG2 -0.02 -0.21 -0.06 -0.04 2.34 2.01 3i60A1 GLU 332 HG3 -0.00 0.09 0.06 -0.04 2.34 2.45 3i60A1 LEU 333 H -0.13 0.27 0.12 -0.55 8.37 8.09 3i60A1 LEU 333 HA -0.07 0.07 0.19 -0.75 4.35 3.78 3i60A1 LEU 333 HB2 -0.23 0.03 0.06 -0.04 1.64 1.46 3i60A1 LEU 333 HB3 -0.14 0.02 0.04 -0.04 1.64 1.52 3i60A1 LEU 333 HG -0.44 0.07 0.03 -0.04 1.64 1.26 3i60A1 LEU 333 HD13 -0.42 0.02 -0.02 -0.04 0.93 0.47 3i60A1 LEU 333 HD23 -0.08 -0.03 -0.14 -0.04 0.89 0.60 3i60A1 ASP 334 H -0.06 0.06 -0.18 -0.55 8.40 7.67 3i60A1 ASP 334 HA -0.05 0.11 0.40 -0.75 4.63 4.33 3i60A1 ASP 334 HB2 -0.03 -0.03 0.03 -0.04 2.71 2.63 3i60A1 ASP 334 HB3 -0.03 0.04 -0.01 -0.04 2.70 2.65 3i60A1 ASP 335 H -0.03 0.15 -0.30 -0.55 8.40 7.67 3i60A1 ASP 335 HA -0.02 0.08 0.29 -0.75 4.63 4.22 3i60A1 ASP 335 HB2 -0.02 0.10 0.06 -0.04 2.71 2.81 3i60A1 ASP 335 HB3 -0.01 -0.01 0.05 -0.04 2.70 2.67 3i60A1 LEU 336 H -0.03 0.23 -0.56 -0.55 8.37 7.46 3i60A1 LEU 336 HA -0.02 0.08 0.36 -0.75 4.35 4.03 3i60A1 LEU 336 HB2 -0.02 0.09 0.03 -0.04 1.64 1.69 3i60A1 LEU 336 HB3 -0.01 -0.06 -0.04 -0.04 1.64 1.49 3i60A1 LEU 336 HG -0.03 0.14 -0.02 -0.04 1.64 1.69 3i60A1 LEU 336 HD13 -0.01 -0.02 -0.15 -0.04 0.93 0.70 3i60A1 LEU 336 HD23 -0.01 -0.03 -0.11 -0.04 0.89 0.70 3i60A1 PRO 337 HA -0.02 0.14 0.65 -0.51 4.44 4.70 3i60A1 PRO 337 HB2 -0.02 -0.15 0.06 -0.04 2.28 2.13 3i60A1 PRO 337 HB3 -0.02 0.12 0.17 -0.04 2.02 2.25 3i60A1 PRO 337 HG2 -0.01 -0.11 0.14 -0.04 2.03 2.00 3i60A1 PRO 337 HG3 -0.02 0.11 0.12 -0.04 2.03 2.20 3i60A1 PRO 337 HD2 -0.01 0.06 0.27 -0.04 3.68 3.95 3i60A1 PRO 337 HD3 -0.02 0.30 0.24 -0.04 3.65 4.13 3i60A1 LYS 338 H -0.02 0.20 0.20 -0.55 8.42 8.24 3i60A1 LYS 338 HA 0.00 0.11 0.28 -0.75 4.32 3.95 3i60A1 LYS 338 HB2 0.02 0.11 0.00 -0.04 1.87 1.97 3i60A1 LYS 338 HB3 -0.01 -0.04 0.10 -0.04 1.79 1.80 3i60A1 LYS 338 HG2 -0.02 -0.05 0.12 -0.04 1.46 1.47 3i60A1 LYS 338 HG3 -0.02 -0.02 -0.05 -0.04 1.46 1.33 3i60A1 LYS 338 HD2 -0.02 0.16 -0.02 -0.04 1.69 1.77 3i60A1 LYS 338 HD3 -0.03 -0.06 -0.16 -0.04 1.68 1.38 3i60A1 LYS 338 HE2 -0.04 -0.05 0.04 -0.04 2.99 2.90 3i60A1 LYS 338 HE3 -0.07 0.12 0.06 -0.04 2.99 3.06 3i60A1 GLU 339 H -0.02 0.08 -0.28 -0.55 8.60 7.83 3i60A1 GLU 339 HA -0.04 0.15 0.59 -0.75 4.29 4.24 3i60A1 GLU 339 HB2 -0.04 0.05 -0.03 -0.04 2.09 2.02 3i60A1 GLU 339 HB3 -0.04 0.06 0.07 -0.04 1.99 2.04 3i60A1 GLU 339 HG2 -0.02 -0.07 -0.02 -0.04 2.34 2.19 3i60A1 GLU 339 HG3 -0.03 0.07 -0.01 -0.04 2.34 2.33 3i60A1 LYS 340 H -0.01 0.27 -0.19 -0.55 8.42 7.93 3i60A1 LYS 340 HA -0.01 0.09 0.60 -0.75 4.32 4.25 3i60A1 LYS 340 HB2 -0.01 -0.03 0.09 -0.04 1.87 1.88 3i60A1 LYS 340 HB3 -0.01 0.17 0.10 -0.04 1.79 2.02 3i60A1 LYS 340 HG2 -0.00 0.01 -0.03 -0.04 1.46 1.40 3i60A1 LYS 340 HG3 0.00 0.00 -0.23 -0.04 1.46 1.20 3i60A1 LYS 340 HD2 0.00 -0.04 0.09 -0.04 1.69 1.71 3i60A1 LYS 340 HD3 -0.00 0.01 0.02 -0.04 1.68 1.66 3i60A1 LYS 340 HE2 0.01 0.02 -0.03 -0.04 2.99 2.94 3i60A1 LYS 340 HE3 0.01 -0.01 -0.05 -0.04 2.99 2.91 3i60A1 LEU 341 H 0.00 0.45 -0.11 -0.55 8.37 8.17 3i60A1 LEU 341 HA 0.02 0.05 0.42 -0.75 4.35 4.09 3i60A1 LEU 341 HB2 0.02 -0.01 0.03 -0.04 1.64 1.65 3i60A1 LEU 341 HB3 0.04 -0.00 -0.14 -0.04 1.64 1.49 3i60A1 LEU 341 HG -0.01 -0.02 -0.15 -0.04 1.64 1.42 3i60A1 LEU 341 HD13 -0.02 0.01 -0.10 -0.04 0.93 0.77 3i60A1 LEU 341 HD23 -0.02 0.01 -0.07 -0.04 0.89 0.77 3i60A1 LYS 342 H 0.03 0.56 -0.22 -0.55 8.42 8.23 3i60A1 LYS 342 HA 0.13 0.02 0.37 -0.75 4.32 4.08 3i60A1 LYS 342 HB2 -0.03 0.12 0.14 -0.04 1.87 2.06 3i60A1 LYS 342 HB3 -0.09 0.05 0.10 -0.04 1.79 1.81 3i60A1 LYS 342 HG2 -0.29 -0.05 -0.09 -0.04 1.46 0.99 3i60A1 LYS 342 HG3 -0.78 -0.03 0.02 -0.04 1.46 0.63 3i60A1 LYS 342 HD2 -0.29 -0.03 0.00 -0.04 1.69 1.33 3i60A1 LYS 342 HD3 -0.25 -0.05 -0.02 -0.04 1.68 1.32 3i60A1 LYS 342 HE2 -0.45 0.01 0.08 -0.04 2.99 2.59 3i60A1 LYS 342 HE3 -1.10 0.04 0.06 -0.04 2.99 1.96 3i60A1 GLU 343 H -0.01 0.34 -0.36 -0.55 8.60 8.03 3i60A1 GLU 343 HA 0.02 0.01 0.42 -0.75 4.29 3.98 3i60A1 GLU 343 HB2 0.01 0.19 0.17 -0.04 2.09 2.42 3i60A1 GLU 343 HB3 0.03 -0.04 -0.00 -0.04 1.99 1.93 3i60A1 GLU 343 HG2 -0.06 -0.07 0.06 -0.04 2.34 2.22 3i60A1 GLU 343 HG3 -0.05 0.20 0.14 -0.04 2.34 2.58 3i60A1 LEU 344 H 0.05 0.40 -0.28 -0.55 8.37 8.00 3i60A1 LEU 344 HA 0.08 0.01 0.42 -0.75 4.35 4.10 3i60A1 LEU 344 HB2 0.05 0.13 0.13 -0.04 1.64 1.91 3i60A1 LEU 344 HB3 0.06 -0.03 0.01 -0.04 1.64 1.63 3i60A1 LEU 344 HG 0.03 0.26 0.04 -0.04 1.64 1.93 3i60A1 LEU 344 HD13 0.02 -0.03 -0.08 -0.04 0.93 0.80 3i60A1 LEU 344 HD23 0.04 -0.02 -0.03 -0.04 0.89 0.84 3i60A1 ILE 345 H 0.11 0.56 -0.13 -0.55 8.25 8.23 3i60A1 ILE 345 HA 0.09 0.02 0.46 -0.75 4.18 4.00 3i60A1 ILE 345 HB 0.24 0.10 0.07 -0.04 1.89 2.26 3i60A1 ILE 345 HG12 0.09 -0.05 -0.06 -0.04 1.49 1.42 3i60A1 ILE 345 HG13 0.11 0.12 0.03 -0.04 1.21 1.42 3i60A1 ILE 345 HG23 0.16 -0.01 -0.17 -0.04 0.93 0.87 3i60A1 ILE 345 HD13 0.16 0.01 -0.08 -0.04 0.88 0.93 3i60A1 PHE 346 H 0.22 0.52 -0.21 -0.55 8.34 8.32 3i60A1 PHE 346 HA 0.03 0.03 0.34 -0.75 4.62 4.27 3i60A1 PHE 346 HB2 -0.03 0.04 0.09 -0.04 3.15 3.21 3i60A1 PHE 346 HB3 -0.00 0.12 0.15 -0.04 3.06 3.29 3i60A1 PHE 346 HD2 -0.00 0.01 -0.13 -0.04 7.28 7.11 3i60A1 PHE 346 HE2 0.01 0.07 -0.28 -0.04 7.38 7.14 3i60A1 PHE 346 HZ 0.01 0.25 -0.08 -0.04 7.32 7.47 3i60A1 GLU 347 H 0.17 0.51 -0.11 -0.55 8.60 8.63 3i60A1 GLU 347 HA 0.03 0.04 0.46 -0.75 4.29 4.06 3i60A1 GLU 347 HB2 0.08 0.06 0.14 -0.04 2.09 2.33 3i60A1 GLU 347 HB3 0.07 -0.03 0.00 -0.04 1.99 1.99 3i60A1 GLU 347 HG2 0.14 -0.04 0.02 -0.04 2.34 2.42 3i60A1 GLU 347 HG3 0.17 0.18 0.07 -0.04 2.34 2.72 3i60A1 GLU 348 H 0.06 0.69 -0.06 -0.55 8.60 8.75 3i60A1 GLU 348 HA 0.05 0.00 0.36 -0.75 4.29 3.94 3i60A1 GLU 348 HB2 0.07 0.11 0.15 -0.04 2.09 2.38 3i60A1 GLU 348 HB3 0.06 0.03 0.06 -0.04 1.99 2.10 3i60A1 GLU 348 HG2 0.08 -0.04 -0.04 -0.04 2.34 2.30 3i60A1 GLU 348 HG3 0.08 0.01 -0.09 -0.04 2.34 2.30 3i60A1 THR 349 H -0.01 0.41 -0.47 -0.55 8.28 7.67 3i60A1 THR 349 HA 0.15 0.08 0.51 -0.75 4.39 4.38 3i60A1 THR 349 HB -0.01 -0.06 -0.01 -0.04 4.32 4.19 3i60A1 THR 349 HG23 0.01 -0.02 -0.09 -0.04 1.22 1.07 3i60A1 ALA 350 H -0.10 0.45 -0.44 -0.55 8.40 7.77 3i60A1 ALA 350 HA -0.21 0.04 0.36 -0.75 4.34 3.78 3i60A1 ALA 350 HB3 -0.08 0.02 0.13 -0.04 1.41 1.44 3i60A1 ARG 351 H -0.32 0.24 -0.23 -0.55 8.46 7.60 3i60A1 ARG 351 HA -2.03 0.03 0.30 -0.75 4.34 1.89 3i60A1 ARG 351 HB2 -0.64 -0.01 0.08 -0.04 1.90 1.29 3i60A1 ARG 351 HB3 -0.54 -0.02 0.08 -0.04 1.80 1.28 3i60A1 ARG 351 HG2 -0.23 0.13 -0.01 -0.04 1.67 1.53 3i60A1 ARG 351 HG3 -0.98 0.01 -0.24 -0.04 1.67 0.42 3i60A1 ARG 351 HD2 -0.19 -0.05 0.00 -0.04 3.22 2.94 3i60A1 ARG 351 HD3 -0.12 0.06 -0.00 -0.04 3.22 3.11 3i60A1 PHE 352 H -0.04 0.35 -0.55 -0.55 8.34 7.56 3i60A1 PHE 352 HA -0.10 0.11 0.76 -0.75 4.62 4.64 3i60A1 PHE 352 HB2 -0.08 0.23 0.14 -0.04 3.15 3.39 3i60A1 PHE 352 HB3 -0.04 -0.09 0.24 -0.04 3.06 3.14 3i60A1 PHE 352 HD2 -0.06 0.05 0.04 -0.04 7.28 7.27 3i60A1 PHE 352 HE2 -0.03 0.11 -0.18 -0.04 7.38 7.24 3i60A1 PHE 352 HZ -0.03 0.08 -0.15 -0.04 7.32 7.18 3i60A1 GLN 353 H -0.12 0.54 -0.16 -0.55 8.47 8.18 3i60A1 GLN 353 HA 0.03 0.08 0.65 -0.75 4.36 4.37 3i60A1 GLN 353 HB2 -0.04 0.23 0.22 -0.04 2.15 2.52 3i60A1 GLN 353 HB3 0.02 -0.03 0.01 -0.04 2.02 1.98 3i60A1 GLN 353 HG2 -0.07 0.06 0.02 -0.04 2.40 2.37 3i60A1 GLN 353 HG3 -0.11 -0.05 0.04 -0.04 2.39 2.22 3i60A1 GLN 353 HE21 0.04 -0.07 0.03 -0.04 6.97 6.92 3i60A1 GLN 353 HE22 0.02 -0.02 0.05 -0.04 7.69 7.69 3i60A1 PRO 354 HA 0.05 0.03 0.38 -0.51 4.44 4.39 3i60A1 PRO 354 HB2 0.04 -0.02 0.07 -0.04 2.28 2.33 3i60A1 PRO 354 HB3 0.03 -0.01 0.09 -0.04 2.02 2.09 3i60A1 PRO 354 HG2 0.04 -0.02 0.11 -0.04 2.03 2.11 3i60A1 PRO 354 HG3 0.04 0.06 0.11 -0.04 2.03 2.19 3i60A1 PRO 354 HD2 0.04 0.05 0.23 -0.04 3.68 3.97 3i60A1 PRO 354 HD3 0.05 0.25 0.32 -0.04 3.65 4.23 3i60A1 GLY 355 H 0.06 0.14 0.11 -0.55 8.43 8.19 3i60A1 GLY 355 HA2 0.04 -0.04 0.38 -0.51 4.01 3.89 3i60A1 GLY 355 HA3 0.05 0.11 0.80 -0.51 4.01 4.46 3i60A1 TYR 356 H 0.12 0.22 -0.15 -0.55 8.29 7.93 3i60A1 TYR 356 HA -0.01 0.01 0.12 -0.75 4.56 3.93 3i60A1 TYR 356 HB2 -0.03 0.23 -0.09 -0.04 3.06 3.14 3i60A1 TYR 356 HB3 -0.03 0.07 -0.33 -0.04 2.98 2.66 3i60A1 TYR 356 HD2 -0.04 0.01 -0.03 -0.04 7.15 7.05 3i60A1 TYR 356 HE2 -0.05 -0.02 -0.01 -0.04 6.85 6.73