============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 78 rings ring int. center anis. iso. HIS 9 0.900 49.313 112.788 79.375 -99.200 -91.000 TRP 31 1.040 15.619 110.388 64.650 -99.200 -91.000 TRP6 31 1.020 14.355 112.357 64.926 -99.200 -91.000 TRP 32 1.040 21.877 107.208 69.586 -99.200 -91.000 TRP6 32 1.020 19.894 106.072 69.108 -99.200 -91.000 PHE 34 1.000 18.662 115.894 66.813 -99.200 -91.000 HIS 55 0.900 31.089 144.194 74.592 -99.200 -91.000 TYR 56 0.840 22.817 142.810 81.005 -99.200 -91.000 PHE 64 1.000 15.611 148.469 75.523 -99.200 -91.000 HIS 69 0.900 27.536 150.816 74.044 -99.200 -91.000 TYR 76 0.840 32.004 141.681 62.340 -99.200 -91.000 TRP 78 1.040 25.942 142.987 63.602 -99.200 -91.000 TRP6 78 1.020 25.310 141.201 62.220 -99.200 -91.000 HIS 84 0.900 23.660 134.114 74.742 -99.200 -91.000 PHE 90 1.000 18.487 126.425 64.960 -99.200 -91.000 PHE 91 1.000 21.212 123.948 75.239 -99.200 -91.000 PHE 92 1.000 14.710 125.834 75.981 -99.200 -91.000 PHE 96 1.000 11.481 121.353 73.799 -99.200 -91.000 HIS 98 0.900 19.890 114.064 74.109 -99.200 -91.000 TYR 104 0.840 10.226 105.365 67.649 -99.200 -91.000 TYR 105 0.840 14.891 104.929 68.185 -99.200 -91.000 TYR 108 0.840 11.720 104.759 78.513 -99.200 -91.000 TYR 110 0.840 21.419 102.839 78.118 -99.200 -91.000 TRP 114 1.040 14.735 109.577 81.893 -99.200 -91.000 TRP6 114 1.020 13.943 110.099 79.738 -99.200 -91.000 PHE 129 1.000 12.596 133.386 84.840 -99.200 -91.000 TYR 132 0.840 12.446 136.875 76.834 -99.200 -91.000 TRP 136 1.040 14.515 145.944 83.583 -99.200 -91.000 TRP6 136 1.020 14.417 144.114 85.028 -99.200 -91.000 PHE 141 1.000 8.698 144.514 85.677 -99.200 -91.000 TRP 142 1.040 5.177 143.386 82.410 -99.200 -91.000 TRP6 142 1.020 4.031 143.906 84.392 -99.200 -91.000 PHE 151 1.000 9.589 128.871 92.129 -99.200 -91.000 TYR 156 0.840 2.326 126.471 106.047 -99.200 -91.000 HIS 159 0.900 2.316 134.515 99.715 -99.200 -91.000 TRP 164 1.040 15.155 134.154 100.616 -99.200 -91.000 TRP6 164 1.020 15.138 131.824 101.104 -99.200 -91.000 TRP 166 1.040 10.375 138.808 92.415 -99.200 -91.000 TRP6 166 1.020 8.207 139.362 93.152 -99.200 -91.000 PHE 169 1.000 9.207 142.743 101.377 -99.200 -91.000 PHE 179 1.000 15.749 136.748 88.167 -99.200 -91.000 PHE 180 1.000 25.560 139.649 84.182 -99.200 -91.000 HIS 183 0.900 21.675 133.696 81.142 -99.200 -91.000 PHE 184 1.000 29.715 135.188 83.935 -99.200 -91.000 PHE 188 1.000 30.810 129.147 83.242 -99.200 -91.000 HIS 197 0.900 22.772 112.930 79.872 -99.200 -91.000 PHE 200 1.000 25.264 108.679 86.926 -99.200 -91.000 HIS 202 0.900 31.535 108.005 78.041 -99.200 -91.000 PHE 221 1.000 32.159 109.240 68.953 -99.200 -91.000 HIS 222 0.900 38.831 109.423 64.253 -99.200 -91.000 TYR 224 0.840 33.279 103.063 61.214 -99.200 -91.000 TYR 225 0.840 28.653 105.955 65.380 -99.200 -91.000 PHE 227 1.000 36.009 111.837 59.094 -99.200 -91.000 PHE 240 1.000 22.666 129.338 65.937 -99.200 -91.000 PHE 246 1.000 20.243 134.965 54.560 -99.200 -91.000 PHE 257 1.000 13.590 144.366 69.193 -99.200 -91.000 HIS 268 0.900 -3.005 140.893 71.549 -99.200 -91.000 TRP 273 1.040 10.629 128.961 70.038 -99.200 -91.000 TRP6 273 1.020 11.064 126.679 70.372 -99.200 -91.000 TYR 274 0.840 12.795 129.081 75.058 -99.200 -91.000 PHE 275 1.000 10.528 128.608 79.176 -99.200 -91.000 PHE 277 1.000 6.231 121.890 77.246 -99.200 -91.000 TYR 279 0.840 0.843 131.065 78.524 -99.200 -91.000 PHE 303 1.000 13.517 113.689 87.476 -99.200 -91.000 PHE 307 1.000 10.874 104.456 88.449 -99.200 -91.000 HIS 309 0.900 10.172 99.955 78.539 -99.200 -91.000 PHE 318 1.000 11.908 95.103 65.609 -99.200 -91.000 PHE 326 1.000 7.627 109.244 69.797 -99.200 -91.000 TRP 327 1.040 5.347 108.858 65.235 -99.200 -91.000 TRP6 327 1.020 6.936 110.541 64.894 -99.200 -91.000 TRP 338 1.040 -3.097 126.661 67.372 -99.200 -91.000 TRP6 338 1.020 -5.168 125.549 67.716 -99.200 -91.000 HIS 346 0.900 -15.811 127.337 72.541 -99.200 -91.000 PHE 348 1.000 -7.788 129.749 69.741 -99.200 -91.000 TYR 359 0.840 2.326 116.083 78.781 -99.200 -91.000 PHE 360 1.000 -0.051 115.845 83.217 -99.200 -91.000 PHE 367 1.000 3.684 106.316 75.089 -99.200 -91.000 TYR 380 0.840 8.135 86.989 74.336 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h1iC1 MET 1 HA -0.01 -0.04 0.12 -0.75 4.52 3.84 3h1iC1 MET 1 HB2 -0.01 0.01 -0.03 -0.04 2.15 2.09 3h1iC1 MET 1 HB3 -0.01 -0.13 0.13 -0.04 2.03 1.98 3h1iC1 MET 1 HG2 -0.01 -0.00 0.02 -0.04 2.63 2.60 3h1iC1 MET 1 HG3 -0.01 -0.01 0.02 -0.04 2.56 2.52 3h1iC1 MET 1 HE3 -0.01 0.00 0.01 -0.04 2.10 2.07 3h1iC1 ALA 2 H -0.01 0.08 0.07 -0.55 8.40 8.00 3h1iC1 ALA 2 HA -0.00 0.28 0.97 -0.75 4.34 4.84 3h1iC1 ALA 2 HB3 -0.00 -0.01 -0.06 -0.04 1.41 1.29 3h1iC1 PRO 3 HA -0.00 0.13 0.55 -0.51 4.44 4.60 3h1iC1 PRO 3 HB2 -0.00 0.00 0.03 -0.04 2.28 2.28 3h1iC1 PRO 3 HB3 -0.00 0.07 0.07 -0.04 2.02 2.12 3h1iC1 PRO 3 HG2 -0.00 -0.26 0.20 -0.04 2.03 1.92 3h1iC1 PRO 3 HG3 -0.00 0.10 0.10 -0.04 2.03 2.19 3h1iC1 PRO 3 HD2 -0.00 0.11 0.21 -0.04 3.68 3.96 3h1iC1 PRO 3 HD3 -0.00 0.27 0.19 -0.04 3.65 4.06 3h1iC1 ASN 4 H -0.00 0.17 0.08 -0.55 8.53 8.23 3h1iC1 ASN 4 HA 0.00 0.17 0.82 -0.75 4.76 4.99 3h1iC1 ASN 4 HB2 -0.00 -0.07 0.00 -0.04 2.88 2.77 3h1iC1 ASN 4 HB3 -0.00 0.08 0.06 -0.04 2.79 2.88 3h1iC1 ASN 4 HD21 -0.00 0.07 0.01 -0.04 7.03 7.06 3h1iC1 ASN 4 HD22 -0.00 0.04 0.01 -0.04 7.74 7.74 3h1iC1 ILE 5 H 0.01 0.24 0.16 -0.55 8.25 8.11 3h1iC1 ILE 5 HA 0.02 0.06 0.32 -0.75 4.18 3.83 3h1iC1 ILE 5 HB 0.02 -0.02 0.14 -0.04 1.89 1.99 3h1iC1 ILE 5 HG12 0.01 0.05 0.16 -0.04 1.49 1.66 3h1iC1 ILE 5 HG13 0.02 0.03 0.07 -0.04 1.21 1.30 3h1iC1 ILE 5 HG23 0.09 0.00 -0.08 -0.04 0.93 0.91 3h1iC1 ILE 5 HD13 0.01 0.02 0.03 -0.04 0.88 0.89 3h1iC1 ARG 6 H 0.01 0.09 -0.22 -0.55 8.46 7.78 3h1iC1 ARG 6 HA 0.00 -0.03 0.18 -0.75 4.34 3.74 3h1iC1 ARG 6 HB2 -0.02 -0.03 0.04 -0.04 1.90 1.85 3h1iC1 ARG 6 HB3 -0.01 0.03 -0.08 -0.04 1.80 1.69 3h1iC1 ARG 6 HG2 -0.02 0.04 -0.06 -0.04 1.67 1.59 3h1iC1 ARG 6 HG3 -0.04 -0.01 -0.02 -0.04 1.67 1.56 3h1iC1 ARG 6 HD2 -0.02 0.04 -0.15 -0.04 3.22 3.06 3h1iC1 ARG 6 HD3 -0.03 -0.02 -0.07 -0.04 3.22 3.06 3h1iC1 LYS 7 H 0.01 0.38 -0.53 -0.55 8.42 7.73 3h1iC1 LYS 7 HA 0.00 0.20 0.91 -0.75 4.32 4.68 3h1iC1 LYS 7 HB2 0.00 0.02 0.04 -0.04 1.87 1.90 3h1iC1 LYS 7 HB3 0.00 0.04 -0.01 -0.04 1.79 1.78 3h1iC1 LYS 7 HG2 -0.00 0.05 -0.04 -0.04 1.46 1.43 3h1iC1 LYS 7 HG3 -0.00 -0.12 -0.18 -0.04 1.46 1.12 3h1iC1 LYS 7 HD2 -0.00 -0.05 0.00 -0.04 1.69 1.60 3h1iC1 LYS 7 HD3 -0.00 0.05 -0.01 -0.04 1.68 1.68 3h1iC1 LYS 7 HE2 -0.00 0.05 -0.02 -0.04 2.99 2.97 3h1iC1 LYS 7 HE3 -0.00 -0.05 -0.04 -0.04 2.99 2.85 3h1iC1 SER 8 H 0.02 0.21 0.09 -0.55 8.46 8.24 3h1iC1 SER 8 HA 0.01 0.17 0.65 -0.75 4.49 4.56 3h1iC1 SER 8 HB2 -0.01 -0.00 -0.01 -0.04 3.95 3.88 3h1iC1 SER 8 HB3 -0.00 -0.03 0.00 -0.04 3.93 3.86 3h1iC1 HIS 9 H 0.09 0.18 0.08 -0.55 8.41 8.21 3h1iC1 HIS 9 HA -0.01 0.08 0.34 -0.75 4.63 4.28 3h1iC1 HIS 9 HB2 -0.01 0.07 0.07 -0.04 3.26 3.35 3h1iC1 HIS 9 HB3 -0.01 -0.23 -0.02 -0.04 3.20 2.89 3h1iC1 HIS 9 HD2 -0.01 0.02 0.02 -0.04 6.97 6.95 3h1iC1 HIS 9 HE1 -0.01 0.08 0.04 -0.04 7.75 7.81 3h1iC1 PRO 10 HA 0.06 0.20 0.45 -0.51 4.44 4.64 3h1iC1 PRO 10 HB2 0.11 -0.04 0.05 -0.04 2.28 2.37 3h1iC1 PRO 10 HB3 0.04 0.07 0.10 -0.04 2.02 2.19 3h1iC1 PRO 10 HG2 -0.02 0.03 0.08 -0.04 2.03 2.08 3h1iC1 PRO 10 HG3 -0.01 0.12 0.08 -0.04 2.03 2.19 3h1iC1 PRO 10 HD2 -0.11 0.02 0.20 -0.04 3.68 3.75 3h1iC1 PRO 10 HD3 -0.18 0.12 0.16 -0.04 3.65 3.72 3h1iC1 LEU 11 H 0.39 0.01 -0.23 -0.55 8.37 7.99 3h1iC1 LEU 11 HA -0.01 0.25 0.74 -0.75 4.35 4.58 3h1iC1 LEU 11 HB2 -0.34 -0.08 0.08 -0.04 1.64 1.27 3h1iC1 LEU 11 HB3 -0.11 0.04 -0.02 -0.04 1.64 1.51 3h1iC1 LEU 11 HG 0.07 -0.04 -0.04 -0.04 1.64 1.59 3h1iC1 LEU 11 HD13 -0.03 0.01 -0.02 -0.04 0.93 0.85 3h1iC1 LEU 11 HD23 -0.00 0.04 -0.08 -0.04 0.89 0.81 3h1iC1 LEU 12 H -0.29 0.04 -0.08 -0.55 8.37 7.49 3h1iC1 LEU 12 HA -0.09 0.01 0.31 -0.75 4.35 3.82 3h1iC1 LEU 12 HB2 0.02 0.11 -0.11 -0.04 1.64 1.62 3h1iC1 LEU 12 HB3 -0.04 0.01 -0.02 -0.04 1.64 1.55 3h1iC1 LEU 12 HG -0.36 -0.06 0.01 -0.04 1.64 1.18 3h1iC1 LEU 12 HD13 -0.02 -0.00 -0.11 -0.04 0.93 0.76 3h1iC1 LEU 12 HD23 -0.20 -0.00 -0.04 -0.04 0.89 0.61 3h1iC1 LYS 13 H 0.04 0.43 -0.47 -0.55 8.42 7.87 3h1iC1 LYS 13 HA 0.00 0.11 0.34 -0.75 4.32 4.01 3h1iC1 LYS 13 HB2 0.03 0.17 -0.25 -0.04 1.87 1.79 3h1iC1 LYS 13 HB3 0.02 0.02 -0.12 -0.04 1.79 1.67 3h1iC1 LYS 13 HG2 -0.00 -0.09 -0.18 -0.04 1.46 1.15 3h1iC1 LYS 13 HG3 0.00 0.05 0.08 -0.04 1.46 1.54 3h1iC1 LYS 13 HD2 0.01 -0.01 -0.03 -0.04 1.69 1.61 3h1iC1 LYS 13 HD3 0.00 -0.08 -0.02 -0.04 1.68 1.55 3h1iC1 LYS 13 HE2 0.01 0.03 0.08 -0.04 2.99 3.07 3h1iC1 LYS 13 HE3 0.02 0.27 -0.03 -0.04 2.99 3.21 3h1iC1 MET 14 H -0.01 0.40 -0.69 -0.55 8.47 7.62 3h1iC1 MET 14 HA -0.01 0.07 0.50 -0.75 4.52 4.33 3h1iC1 MET 14 HB2 -0.02 0.14 0.20 -0.04 2.15 2.43 3h1iC1 MET 14 HB3 -0.01 -0.05 -0.03 -0.04 2.03 1.89 3h1iC1 MET 14 HG2 -0.00 -0.02 -0.01 -0.04 2.63 2.55 3h1iC1 MET 14 HG3 -0.00 0.16 0.05 -0.04 2.56 2.73 3h1iC1 MET 14 HE3 -0.01 -0.01 -0.03 -0.04 2.10 2.02 3h1iC1 ILE 15 H -0.04 0.28 0.08 -0.55 8.25 8.01 3h1iC1 ILE 15 HA -0.04 0.02 0.29 -0.75 4.18 3.69 3h1iC1 ILE 15 HB -0.06 0.02 0.15 -0.04 1.89 1.96 3h1iC1 ILE 15 HG12 -0.06 -0.05 -0.02 -0.04 1.49 1.32 3h1iC1 ILE 15 HG13 -0.04 0.01 0.01 -0.04 1.21 1.15 3h1iC1 ILE 15 HG23 -0.05 -0.02 -0.14 -0.04 0.93 0.68 3h1iC1 ILE 15 HD13 -0.05 0.01 -0.05 -0.04 0.88 0.75 3h1iC1 ASN 16 H -0.04 0.94 -0.41 -0.55 8.53 8.48 3h1iC1 ASN 16 HA -0.04 -0.13 0.43 -0.75 4.76 4.27 3h1iC1 ASN 16 HB2 -0.03 0.05 0.02 -0.04 2.88 2.88 3h1iC1 ASN 16 HB3 -0.02 0.21 0.16 -0.04 2.79 3.10 3h1iC1 ASN 16 HD21 -0.01 -0.06 -0.08 -0.04 7.03 6.84 3h1iC1 ASN 16 HD22 -0.02 0.15 0.00 -0.04 7.74 7.84 3h1iC1 ASN 17 H -0.03 0.71 0.12 -0.55 8.53 8.79 3h1iC1 ASN 17 HA -0.05 -0.08 0.28 -0.75 4.76 4.14 3h1iC1 ASN 17 HB2 -0.03 0.09 0.17 -0.04 2.88 3.07 3h1iC1 ASN 17 HB3 -0.07 -0.02 0.21 -0.04 2.79 2.87 3h1iC1 ASN 17 HD21 -0.01 -0.05 0.06 -0.04 7.03 6.99 3h1iC1 ASN 17 HD22 -0.01 -0.02 0.03 -0.04 7.74 7.70 3h1iC1 SER 18 H -0.08 0.17 -0.89 -0.55 8.46 7.12 3h1iC1 SER 18 HA -0.26 0.14 0.82 -0.75 4.49 4.44 3h1iC1 SER 18 HB2 0.10 -0.06 0.08 -0.04 3.95 4.03 3h1iC1 SER 18 HB3 0.05 0.04 -0.20 -0.04 3.93 3.78 3h1iC1 LEU 19 H -0.10 0.20 0.33 -0.55 8.37 8.25 3h1iC1 LEU 19 HA -0.45 0.16 0.78 -0.75 4.35 4.09 3h1iC1 LEU 19 HB2 -0.07 0.25 0.13 -0.04 1.64 1.92 3h1iC1 LEU 19 HB3 -0.03 -0.10 0.08 -0.04 1.64 1.55 3h1iC1 LEU 19 HG -0.10 0.02 -0.28 -0.04 1.64 1.24 3h1iC1 LEU 19 HD13 -0.04 -0.03 -0.01 -0.04 0.93 0.80 3h1iC1 LEU 19 HD23 -0.21 0.04 0.13 -0.04 0.89 0.81 3h1iC1 ILE 20 H -0.02 0.35 0.39 -0.55 8.25 8.42 3h1iC1 ILE 20 HA 0.18 0.20 1.15 -0.75 4.18 4.96 3h1iC1 ILE 20 HB -0.02 -0.01 0.21 -0.04 1.89 2.02 3h1iC1 ILE 20 HG12 -0.09 0.05 -0.11 -0.04 1.49 1.30 3h1iC1 ILE 20 HG13 -0.03 -0.00 -0.34 -0.04 1.21 0.79 3h1iC1 ILE 20 HG23 -0.04 0.00 -0.18 -0.04 0.93 0.68 3h1iC1 ILE 20 HD13 -0.10 -0.01 -0.07 -0.04 0.88 0.65 3h1iC1 ASP 21 H 0.01 0.31 0.14 -0.55 8.40 8.31 3h1iC1 ASP 21 HA 0.05 0.16 0.70 -0.75 4.63 4.79 3h1iC1 ASP 21 HB2 -0.01 0.03 -0.04 -0.04 2.71 2.65 3h1iC1 ASP 21 HB3 0.01 0.04 0.14 -0.04 2.70 2.84 3h1iC1 LEU 22 H 0.06 -0.05 -0.47 -0.55 8.37 7.36 3h1iC1 LEU 22 HA -0.04 0.23 0.44 -0.75 4.35 4.23 3h1iC1 LEU 22 HB2 -0.15 0.10 -0.22 -0.04 1.64 1.33 3h1iC1 LEU 22 HB3 0.03 -0.13 -0.17 -0.04 1.64 1.32 3h1iC1 LEU 22 HG 0.11 -0.07 -0.46 -0.04 1.64 1.17 3h1iC1 LEU 22 HD13 -0.16 0.07 0.07 -0.04 0.93 0.87 3h1iC1 LEU 22 HD23 -0.24 0.00 -0.06 -0.04 0.89 0.56 3h1iC1 PRO 23 HA 0.06 0.03 0.43 -0.51 4.44 4.46 3h1iC1 PRO 23 HB2 -0.00 0.01 0.16 -0.04 2.28 2.41 3h1iC1 PRO 23 HB3 0.02 -0.01 -0.00 -0.04 2.02 1.98 3h1iC1 PRO 23 HG2 -0.00 0.02 0.08 -0.04 2.03 2.09 3h1iC1 PRO 23 HG3 0.02 0.04 -0.03 -0.04 2.03 2.03 3h1iC1 PRO 23 HD2 -0.04 0.11 0.26 -0.04 3.68 3.97 3h1iC1 PRO 23 HD3 -0.00 0.54 0.46 -0.04 3.65 4.60 3h1iC1 ALA 24 H 0.08 0.51 0.25 -0.55 8.40 8.69 3h1iC1 ALA 24 HA -0.08 0.15 0.93 -0.75 4.34 4.59 3h1iC1 ALA 24 HB3 -0.27 0.03 0.00 -0.04 1.41 1.14 3h1iC1 PRO 25 HA -0.06 0.11 0.52 -0.51 4.44 4.50 3h1iC1 PRO 25 HB2 -0.31 -0.14 0.07 -0.04 2.28 1.86 3h1iC1 PRO 25 HB3 -0.16 -0.02 0.11 -0.04 2.02 1.92 3h1iC1 PRO 25 HG2 -0.20 0.49 0.07 -0.04 2.03 2.35 3h1iC1 PRO 25 HG3 -0.09 0.05 0.07 -0.04 2.03 2.02 3h1iC1 PRO 25 HD2 -0.32 0.04 0.22 -0.04 3.68 3.58 3h1iC1 PRO 25 HD3 -0.11 0.14 0.28 -0.04 3.65 3.92 3h1iC1 SER 26 H -0.03 0.29 0.28 -0.55 8.46 8.45 3h1iC1 SER 26 HA 0.05 0.11 0.45 -0.75 4.49 4.35 3h1iC1 SER 26 HB2 -0.06 -0.05 0.03 -0.04 3.95 3.83 3h1iC1 SER 26 HB3 -0.01 0.14 0.09 -0.04 3.93 4.11 3h1iC1 ASN 27 H -0.09 0.01 -0.14 -0.55 8.53 7.77 3h1iC1 ASN 27 HA -0.06 0.29 0.75 -0.75 4.76 4.99 3h1iC1 ASN 27 HB2 -0.05 -0.04 0.13 -0.04 2.88 2.88 3h1iC1 ASN 27 HB3 -0.04 0.04 -0.00 -0.04 2.79 2.74 3h1iC1 ASN 27 HD21 -0.12 -0.03 -0.16 -0.04 7.03 6.68 3h1iC1 ASN 27 HD22 -0.11 -0.05 -0.09 -0.04 7.74 7.46 3h1iC1 ILE 28 H -0.19 0.29 -0.36 -0.55 8.25 7.45 3h1iC1 ILE 28 HA -0.70 -0.06 0.51 -0.75 4.18 3.17 3h1iC1 ILE 28 HB -0.77 0.02 -0.08 -0.04 1.89 1.02 3h1iC1 ILE 28 HG12 -0.38 0.14 -0.00 -0.04 1.49 1.21 3h1iC1 ILE 28 HG13 0.05 -0.01 0.01 -0.04 1.21 1.21 3h1iC1 ILE 28 HG23 -1.77 -0.03 -0.04 -0.04 0.93 -0.94 3h1iC1 ILE 28 HD13 -0.83 0.00 -0.00 -0.04 0.88 0.01 3h1iC1 SER 29 H -0.01 0.04 0.17 -0.55 8.46 8.11 3h1iC1 SER 29 HA 0.12 0.22 0.56 -0.75 4.49 4.64 3h1iC1 SER 29 HB2 0.30 -0.09 0.16 -0.04 3.95 4.28 3h1iC1 SER 29 HB3 0.22 0.14 0.11 -0.04 3.93 4.36 3h1iC1 ALA 30 H 0.09 0.20 0.14 -0.55 8.40 8.29 3h1iC1 ALA 30 HA -0.05 0.12 0.39 -0.75 4.34 4.05 3h1iC1 ALA 30 HB3 -0.26 0.02 0.12 -0.04 1.41 1.25 3h1iC1 TRP 31 H 0.17 0.08 -0.32 -0.55 7.97 7.35 3h1iC1 TRP 31 HA 0.31 0.02 0.25 -0.75 4.62 4.46 3h1iC1 TRP 31 HB2 0.08 0.02 -0.02 -0.04 3.23 3.28 3h1iC1 TRP 31 HB3 0.06 0.01 0.15 -0.04 3.23 3.41 3h1iC1 TRP 31 HD1 0.25 -0.03 -0.01 -0.04 7.22 7.39 3h1iC1 TRP 31 HE1 0.20 0.03 0.00 -0.04 10.20 10.39 3h1iC1 TRP 31 HE3 0.24 -0.00 -0.00 -0.04 7.59 7.78 3h1iC1 TRP 31 HZ2 0.21 0.03 -0.01 -0.04 7.44 7.63 3h1iC1 TRP 31 HZ3 0.05 0.01 0.02 -0.04 7.13 7.16 3h1iC1 TRP 31 HH2 0.19 0.03 -0.01 -0.04 7.19 7.37 3h1iC1 TRP 32 H 0.29 0.45 -1.02 -0.55 7.97 7.13 3h1iC1 TRP 32 HA 0.14 0.15 0.95 -0.75 4.62 5.11 3h1iC1 TRP 32 HB2 0.05 0.31 -0.12 -0.04 3.23 3.43 3h1iC1 TRP 32 HB3 0.05 0.00 -0.03 -0.04 3.23 3.21 3h1iC1 TRP 32 HD1 0.05 0.01 0.03 -0.04 7.22 7.27 3h1iC1 TRP 32 HE1 0.03 -0.06 -0.06 -0.04 10.20 10.07 3h1iC1 TRP 32 HE3 0.00 -0.02 -0.25 -0.04 7.59 7.28 3h1iC1 TRP 32 HZ2 -0.10 -0.06 -0.17 -0.04 7.44 7.07 3h1iC1 TRP 32 HZ3 -0.80 -0.02 -0.05 -0.04 7.13 6.22 3h1iC1 TRP 32 HH2 -0.55 0.02 -0.15 -0.04 7.19 6.46 3h1iC1 ASN 33 H -0.11 0.67 0.28 -0.55 8.53 8.83 3h1iC1 ASN 33 HA 0.07 0.18 0.73 -0.75 4.76 4.99 3h1iC1 ASN 33 HB2 -0.42 0.01 0.12 -0.04 2.88 2.55 3h1iC1 ASN 33 HB3 -0.11 -0.01 0.12 -0.04 2.79 2.75 3h1iC1 ASN 33 HD21 -0.01 -0.05 0.03 -0.04 7.03 6.96 3h1iC1 ASN 33 HD22 -0.13 0.75 0.44 -0.04 7.74 8.75 3h1iC1 PHE 34 H -0.26 0.16 -0.16 -0.55 8.34 7.53 3h1iC1 PHE 34 HA 0.03 0.01 0.21 -0.75 4.62 4.12 3h1iC1 PHE 34 HB2 0.23 0.08 -0.02 -0.04 3.15 3.40 3h1iC1 PHE 34 HB3 0.16 0.12 0.07 -0.04 3.06 3.36 3h1iC1 PHE 34 HD2 0.13 0.03 -0.02 -0.04 7.28 7.39 3h1iC1 PHE 34 HE2 -0.25 -0.00 -0.05 -0.04 7.38 7.03 3h1iC1 PHE 34 HZ -0.20 0.02 -0.04 -0.04 7.32 7.05 3h1iC1 GLY 35 H 0.23 0.16 -0.69 -0.55 8.43 7.58 3h1iC1 GLY 35 HA2 -0.42 0.08 0.42 -0.51 4.01 3.59 3h1iC1 GLY 35 HA3 0.15 0.09 0.25 -0.51 4.01 3.99 3h1iC1 SER 36 H 0.08 0.22 0.02 -0.55 8.46 8.24 3h1iC1 SER 36 HA 0.01 0.04 0.41 -0.75 4.49 4.19 3h1iC1 SER 36 HB2 0.05 -0.02 0.06 -0.04 3.95 4.01 3h1iC1 SER 36 HB3 0.12 0.03 0.16 -0.04 3.93 4.20 3h1iC1 LEU 37 H -0.02 0.60 -0.19 -0.55 8.37 8.22 3h1iC1 LEU 37 HA -0.05 0.01 0.32 -0.75 4.35 3.88 3h1iC1 LEU 37 HB2 0.08 0.00 -0.03 -0.04 1.64 1.65 3h1iC1 LEU 37 HB3 0.02 0.00 -0.05 -0.04 1.64 1.58 3h1iC1 LEU 37 HG -0.09 0.01 -0.15 -0.04 1.64 1.37 3h1iC1 LEU 37 HD13 -0.08 -0.02 -0.06 -0.04 0.93 0.73 3h1iC1 LEU 37 HD23 -0.02 0.03 -0.14 -0.04 0.89 0.72 3h1iC1 LEU 38 H -0.10 0.59 -0.32 -0.55 8.37 7.99 3h1iC1 LEU 38 HA -0.46 -0.02 0.36 -0.75 4.35 3.48 3h1iC1 LEU 38 HB2 -0.28 0.30 0.27 -0.04 1.64 1.88 3h1iC1 LEU 38 HB3 -0.32 -0.09 0.00 -0.04 1.64 1.19 3h1iC1 LEU 38 HG -0.14 0.14 -0.00 -0.04 1.64 1.60 3h1iC1 LEU 38 HD13 -0.45 -0.03 -0.07 -0.04 0.93 0.33 3h1iC1 LEU 38 HD23 -0.24 -0.03 -0.04 -0.04 0.89 0.53 3h1iC1 ALA 39 H -0.15 0.47 -0.28 -0.55 8.40 7.90 3h1iC1 ALA 39 HA -0.14 -0.05 0.33 -0.75 4.34 3.73 3h1iC1 ALA 39 HB3 -0.06 0.07 0.16 -0.04 1.41 1.53 3h1iC1 VAL 40 H -0.10 0.53 0.02 -0.55 8.24 8.14 3h1iC1 VAL 40 HA -0.08 -0.07 0.31 -0.75 4.13 3.54 3h1iC1 VAL 40 HB -0.10 0.17 0.10 -0.04 2.12 2.24 3h1iC1 VAL 40 HG13 -0.06 -0.02 -0.06 -0.04 0.97 0.79 3h1iC1 VAL 40 HG23 -0.04 0.05 0.03 -0.04 0.95 0.94 3h1iC1 CYS 41 H -0.32 0.62 -0.39 -0.55 8.50 7.86 3h1iC1 CYS 41 HA -0.24 -0.02 0.52 -0.75 4.58 4.09 3h1iC1 CYS 41 HB2 -1.05 0.24 0.26 -0.04 2.97 2.39 3h1iC1 CYS 41 HB3 -0.73 -0.08 0.03 -0.04 2.97 2.15 3h1iC1 LEU 42 H -0.43 0.66 0.16 -0.55 8.37 8.21 3h1iC1 LEU 42 HA 0.12 -0.05 0.37 -0.75 4.35 4.03 3h1iC1 LEU 42 HB2 -0.04 -0.02 0.13 -0.04 1.64 1.68 3h1iC1 LEU 42 HB3 -0.09 0.14 0.20 -0.04 1.64 1.85 3h1iC1 LEU 42 HG -0.05 -0.04 -0.24 -0.04 1.64 1.28 3h1iC1 LEU 42 HD13 0.02 -0.01 0.07 -0.04 0.93 0.97 3h1iC1 LEU 42 HD23 -0.02 -0.01 -0.03 -0.04 0.89 0.78 3h1iC1 MET 43 H -0.09 0.60 -0.16 -0.55 8.47 8.26 3h1iC1 MET 43 HA -0.04 -0.01 0.41 -0.75 4.52 4.12 3h1iC1 MET 43 HB2 -0.05 0.10 0.06 -0.04 2.15 2.22 3h1iC1 MET 43 HB3 -0.02 -0.05 0.00 -0.04 2.03 1.92 3h1iC1 MET 43 HG2 -0.05 0.03 -0.15 -0.04 2.63 2.41 3h1iC1 MET 43 HG3 -0.03 -0.03 -0.04 -0.04 2.56 2.43 3h1iC1 MET 43 HE3 -0.00 -0.01 0.01 -0.04 2.10 2.06 3h1iC1 THR 44 H -0.06 0.59 -0.27 -0.55 8.28 7.98 3h1iC1 THR 44 HA 0.01 -0.02 0.56 -0.75 4.39 4.19 3h1iC1 THR 44 HB -0.04 0.07 0.13 -0.04 4.32 4.44 3h1iC1 THR 44 HG23 0.12 -0.04 0.04 -0.04 1.22 1.30 3h1iC1 GLN 45 H 0.01 0.60 -0.05 -0.55 8.47 8.49 3h1iC1 GLN 45 HA 0.19 0.08 0.62 -0.75 4.36 4.49 3h1iC1 GLN 45 HB2 0.06 0.05 0.15 -0.04 2.15 2.36 3h1iC1 GLN 45 HB3 0.06 -0.03 0.00 -0.04 2.02 2.01 3h1iC1 GLN 45 HG2 0.14 0.12 -0.12 -0.04 2.40 2.50 3h1iC1 GLN 45 HG3 0.11 -0.05 -0.07 -0.04 2.39 2.33 3h1iC1 GLN 45 HE21 -0.22 0.54 0.18 -0.04 6.97 7.44 3h1iC1 GLN 45 HE22 -0.15 -0.07 -0.02 -0.04 7.69 7.41 3h1iC1 ILE 46 H -0.04 0.62 0.02 -0.55 8.25 8.30 3h1iC1 ILE 46 HA -0.19 0.04 0.32 -0.75 4.18 3.60 3h1iC1 ILE 46 HB -0.09 0.07 0.11 -0.04 1.89 1.94 3h1iC1 ILE 46 HG12 -0.39 -0.04 0.01 -0.04 1.49 1.04 3h1iC1 ILE 46 HG13 -0.14 0.20 0.13 -0.04 1.21 1.36 3h1iC1 ILE 46 HG23 -0.20 -0.01 -0.06 -0.04 0.93 0.62 3h1iC1 ILE 46 HD13 -0.23 -0.02 -0.08 -0.04 0.88 0.50 3h1iC1 LEU 47 H -0.02 0.43 -0.31 -0.55 8.37 7.93 3h1iC1 LEU 47 HA -0.01 0.03 0.47 -0.75 4.35 4.09 3h1iC1 LEU 47 HB2 -0.00 0.33 0.23 -0.04 1.64 2.16 3h1iC1 LEU 47 HB3 0.01 -0.01 0.09 -0.04 1.64 1.69 3h1iC1 LEU 47 HG 0.00 -0.02 0.01 -0.04 1.64 1.59 3h1iC1 LEU 47 HD13 0.00 -0.01 0.01 -0.04 0.93 0.89 3h1iC1 LEU 47 HD23 0.00 -0.00 0.01 -0.04 0.89 0.86 3h1iC1 THR 48 H 0.04 0.45 -0.02 -0.55 8.28 8.20 3h1iC1 THR 48 HA -0.02 -0.03 0.36 -0.75 4.39 3.95 3h1iC1 THR 48 HB 0.06 -0.04 0.06 -0.04 4.32 4.37 3h1iC1 THR 48 HG23 0.08 -0.01 0.09 -0.04 1.22 1.34 3h1iC1 GLY 49 H -0.06 0.62 -0.49 -0.55 8.43 7.96 3h1iC1 GLY 49 HA2 -0.57 -0.03 0.38 -0.51 4.01 3.27 3h1iC1 GLY 49 HA3 -0.23 0.11 0.24 -0.51 4.01 3.63 3h1iC1 LEU 50 H -0.12 0.61 -0.03 -0.55 8.37 8.28 3h1iC1 LEU 50 HA -0.16 0.01 0.47 -0.75 4.35 3.92 3h1iC1 LEU 50 HB2 -0.02 0.13 0.24 -0.04 1.64 1.95 3h1iC1 LEU 50 HB3 0.02 -0.08 0.03 -0.04 1.64 1.58 3h1iC1 LEU 50 HG -0.09 0.24 0.18 -0.04 1.64 1.92 3h1iC1 LEU 50 HD13 0.08 -0.03 0.02 -0.04 0.93 0.96 3h1iC1 LEU 50 HD23 0.00 -0.02 0.03 -0.04 0.89 0.86 3h1iC1 LEU 51 H -0.03 0.50 -0.13 -0.55 8.37 8.17 3h1iC1 LEU 51 HA 0.07 -0.01 0.34 -0.75 4.35 4.00 3h1iC1 LEU 51 HB2 -0.02 0.14 0.15 -0.04 1.64 1.88 3h1iC1 LEU 51 HB3 0.03 -0.03 -0.00 -0.04 1.64 1.60 3h1iC1 LEU 51 HG 0.02 0.00 0.04 -0.04 1.64 1.66 3h1iC1 LEU 51 HD13 -0.00 -0.01 -0.08 -0.04 0.93 0.79 3h1iC1 LEU 51 HD23 0.06 -0.01 0.01 -0.04 0.89 0.90 3h1iC1 LEU 52 H -0.07 0.53 -0.18 -0.55 8.37 8.10 3h1iC1 LEU 52 HA 0.08 0.03 0.44 -0.75 4.35 4.15 3h1iC1 LEU 52 HB2 -0.19 0.11 0.13 -0.04 1.64 1.65 3h1iC1 LEU 52 HB3 -0.03 -0.08 -0.01 -0.04 1.64 1.48 3h1iC1 LEU 52 HG -0.12 0.16 -0.03 -0.04 1.64 1.62 3h1iC1 LEU 52 HD13 -0.03 -0.03 -0.03 -0.04 0.93 0.81 3h1iC1 LEU 52 HD23 -0.00 -0.03 -0.04 -0.04 0.89 0.78 3h1iC1 ALA 53 H 0.02 0.62 -0.19 -0.55 8.40 8.31 3h1iC1 ALA 53 HA 0.28 -0.06 0.52 -0.75 4.34 4.33 3h1iC1 ALA 53 HB3 0.24 0.02 0.13 -0.04 1.41 1.76 3h1iC1 MET 54 H 0.12 0.41 -0.43 -0.55 8.47 8.03 3h1iC1 MET 54 HA 0.02 -0.01 0.39 -0.75 4.52 4.16 3h1iC1 MET 54 HB2 -0.05 0.16 0.05 -0.04 2.15 2.28 3h1iC1 MET 54 HB3 -0.21 -0.11 0.10 -0.04 2.03 1.77 3h1iC1 MET 54 HG2 0.05 -0.07 -0.01 -0.04 2.63 2.56 3h1iC1 MET 54 HG3 0.07 0.13 0.07 -0.04 2.56 2.79 3h1iC1 MET 54 HE3 0.03 -0.02 -0.03 -0.04 2.10 2.04 3h1iC1 HIS 55 H 0.21 0.27 -0.52 -0.55 8.41 7.83 3h1iC1 HIS 55 HA 0.05 0.19 0.98 -0.75 4.63 5.09 3h1iC1 HIS 55 HB2 0.08 0.04 0.05 -0.04 3.26 3.39 3h1iC1 HIS 55 HB3 0.12 -0.08 0.10 -0.04 3.20 3.31 3h1iC1 HIS 55 HD2 0.11 -0.06 -0.01 -0.04 6.97 6.97 3h1iC1 HIS 55 HE1 0.03 -0.04 -0.03 -0.04 7.75 7.67 3h1iC1 TYR 56 H 0.21 0.21 0.04 -0.55 8.29 8.20 3h1iC1 TYR 56 HA -0.04 -0.00 0.35 -0.75 4.56 4.12 3h1iC1 TYR 56 HB2 -0.01 0.13 0.06 -0.04 3.06 3.20 3h1iC1 TYR 56 HB3 -0.17 0.03 0.07 -0.04 2.98 2.86 3h1iC1 TYR 56 HD2 -0.65 0.03 -0.03 -0.04 7.15 6.45 3h1iC1 TYR 56 HE2 -0.20 0.08 -0.06 -0.04 6.85 6.63 3h1iC1 THR 57 H -1.18 0.12 -0.04 -0.55 8.28 6.63 3h1iC1 THR 57 HA -0.38 0.18 0.59 -0.75 4.39 4.03 3h1iC1 THR 57 HB -0.32 -0.04 -0.03 -0.04 4.32 3.89 3h1iC1 THR 57 HG23 -0.22 -0.03 -0.11 -0.04 1.22 0.82 3h1iC1 ALA 58 H -0.70 0.22 -0.07 -0.55 8.40 7.30 3h1iC1 ALA 58 HA -0.55 0.03 0.31 -0.75 4.34 3.36 3h1iC1 ALA 58 HB3 -0.23 0.02 0.11 -0.04 1.41 1.27 3h1iC1 ASP 59 H -0.42 0.22 0.28 -0.55 8.40 7.94 3h1iC1 ASP 59 HA -0.29 0.02 0.55 -0.75 4.63 4.16 3h1iC1 ASP 59 HB2 -0.20 0.24 -0.36 -0.04 2.71 2.34 3h1iC1 ASP 59 HB3 -0.22 -0.03 -0.01 -0.04 2.70 2.41 3h1iC1 THR 60 H -0.49 0.16 0.16 -0.55 8.28 7.56 3h1iC1 THR 60 HA -0.91 0.11 0.41 -0.75 4.39 3.25 3h1iC1 THR 60 HB -0.09 0.11 0.05 -0.04 4.32 4.36 3h1iC1 THR 60 HG23 -0.43 -0.01 0.14 -0.04 1.22 0.88 3h1iC1 SER 61 H -0.14 0.05 -0.12 -0.55 8.46 7.71 3h1iC1 SER 61 HA -0.03 0.09 0.46 -0.75 4.49 4.26 3h1iC1 SER 61 HB2 -0.04 0.04 0.11 -0.04 3.95 4.01 3h1iC1 SER 61 HB3 -0.05 -0.03 0.12 -0.04 3.93 3.93 3h1iC1 LEU 62 H -0.15 0.79 -0.03 -0.55 8.37 8.43 3h1iC1 LEU 62 HA -0.04 0.14 0.96 -0.75 4.35 4.66 3h1iC1 LEU 62 HB2 -0.18 0.10 0.03 -0.04 1.64 1.55 3h1iC1 LEU 62 HB3 -0.14 -0.01 0.03 -0.04 1.64 1.48 3h1iC1 LEU 62 HG -0.09 -0.14 -0.39 -0.04 1.64 0.98 3h1iC1 LEU 62 HD13 -0.11 0.00 -0.07 -0.04 0.93 0.71 3h1iC1 LEU 62 HD23 -0.07 0.02 -0.04 -0.04 0.89 0.77 3h1iC1 ALA 63 H -0.21 0.48 0.04 -0.55 8.40 8.17 3h1iC1 ALA 63 HA -0.37 0.02 0.31 -0.75 4.34 3.54 3h1iC1 ALA 63 HB3 -0.13 -0.01 -0.01 -0.04 1.41 1.22 3h1iC1 PHE 64 H 0.22 0.15 -0.25 -0.55 8.34 7.91 3h1iC1 PHE 64 HA 0.11 0.29 0.52 -0.75 4.62 4.79 3h1iC1 PHE 64 HB2 0.14 0.11 0.15 -0.04 3.15 3.51 3h1iC1 PHE 64 HB3 0.06 -0.12 0.16 -0.04 3.06 3.11 3h1iC1 PHE 64 HD2 0.04 0.13 -0.06 -0.04 7.28 7.35 3h1iC1 PHE 64 HE2 -0.03 0.03 -0.07 -0.04 7.38 7.27 3h1iC1 PHE 64 HZ -0.03 0.08 -0.06 -0.04 7.32 7.27 3h1iC1 SER 65 H 0.22 0.15 -0.02 -0.55 8.46 8.27 3h1iC1 SER 65 HA -0.02 -0.02 0.39 -0.75 4.49 4.08 3h1iC1 SER 65 HB2 0.06 -0.02 0.15 -0.04 3.95 4.09 3h1iC1 SER 65 HB3 0.15 0.00 0.16 -0.04 3.93 4.20 3h1iC1 SER 66 H -0.04 0.36 -0.79 -0.55 8.46 7.45 3h1iC1 SER 66 HA -0.05 0.07 0.63 -0.75 4.49 4.39 3h1iC1 SER 66 HB2 -0.10 0.16 0.01 -0.04 3.95 3.99 3h1iC1 SER 66 HB3 -0.17 0.06 -0.00 -0.04 3.93 3.77 3h1iC1 VAL 67 H -0.00 0.47 0.10 -0.55 8.24 8.26 3h1iC1 VAL 67 HA 0.07 0.05 0.41 -0.75 4.13 3.91 3h1iC1 VAL 67 HB -0.19 0.10 0.28 -0.04 2.12 2.27 3h1iC1 VAL 67 HG13 -0.05 -0.02 -0.05 -0.04 0.97 0.81 3h1iC1 VAL 67 HG23 0.15 0.05 0.14 -0.04 0.95 1.25 3h1iC1 ALA 68 H -0.27 0.49 -0.01 -0.55 8.40 8.06 3h1iC1 ALA 68 HA -0.12 0.01 0.29 -0.75 4.34 3.76 3h1iC1 ALA 68 HB3 -0.16 0.01 0.05 -0.04 1.41 1.27 3h1iC1 HIS 69 H 0.08 0.44 -0.43 -0.55 8.41 7.95 3h1iC1 HIS 69 HA -0.00 -0.09 0.45 -0.75 4.63 4.24 3h1iC1 HIS 69 HB2 -0.00 -0.01 0.21 -0.04 3.26 3.41 3h1iC1 HIS 69 HB3 -0.01 0.16 0.30 -0.04 3.20 3.61 3h1iC1 HIS 69 HD2 0.04 0.15 -0.16 -0.04 6.97 6.96 3h1iC1 HIS 69 HE1 0.03 -0.03 -0.01 -0.04 7.75 7.69 3h1iC1 THR 70 H 0.15 0.90 -0.08 -0.55 8.28 8.70 3h1iC1 THR 70 HA 0.01 -0.10 0.30 -0.75 4.39 3.84 3h1iC1 THR 70 HB 0.06 0.06 0.14 -0.04 4.32 4.54 3h1iC1 THR 70 HG23 -0.08 -0.04 -0.00 -0.04 1.22 1.06 3h1iC1 CYS 71 H 0.01 0.52 -0.41 -0.55 8.50 8.06 3h1iC1 CYS 71 HA 0.09 -0.01 0.65 -0.75 4.58 4.55 3h1iC1 CYS 71 HB2 0.04 0.12 0.12 -0.04 2.97 3.21 3h1iC1 CYS 71 HB3 0.14 -0.10 0.01 -0.04 2.97 2.99 3h1iC1 ARG 72 H -0.01 0.55 0.16 -0.55 8.46 8.60 3h1iC1 ARG 72 HA 0.03 0.05 0.60 -0.75 4.34 4.26 3h1iC1 ARG 72 HB2 -0.04 0.02 0.16 -0.04 1.90 1.99 3h1iC1 ARG 72 HB3 -0.02 -0.05 0.03 -0.04 1.80 1.72 3h1iC1 ARG 72 HG2 0.01 -0.04 0.02 -0.04 1.67 1.62 3h1iC1 ARG 72 HG3 0.02 0.00 0.06 -0.04 1.67 1.71 3h1iC1 ARG 72 HD2 0.01 0.03 -0.15 -0.04 3.22 3.07 3h1iC1 ARG 72 HD3 0.01 -0.03 -0.02 -0.04 3.22 3.13 3h1iC1 ASN 73 H -0.19 0.66 0.19 -0.55 8.53 8.64 3h1iC1 ASN 73 HA -0.10 0.13 0.77 -0.75 4.76 4.80 3h1iC1 ASN 73 HB2 -0.74 0.08 0.07 -0.04 2.88 2.25 3h1iC1 ASN 73 HB3 -0.24 -0.06 0.04 -0.04 2.79 2.49 3h1iC1 ASN 73 HD21 -0.05 -0.03 -0.05 -0.04 7.03 6.87 3h1iC1 ASN 73 HD22 -0.08 0.04 -0.07 -0.04 7.74 7.58 3h1iC1 VAL 74 H -0.17 0.24 -0.10 -0.55 8.24 7.66 3h1iC1 VAL 74 HA -0.09 0.02 0.53 -0.75 4.13 3.84 3h1iC1 VAL 74 HB -0.23 0.10 0.16 -0.04 2.12 2.11 3h1iC1 VAL 74 HG13 -0.44 0.02 -0.01 -0.04 0.97 0.50 3h1iC1 VAL 74 HG23 -0.21 0.00 0.06 -0.04 0.95 0.75 3h1iC1 GLN 75 H -0.07 0.11 0.20 -0.55 8.47 8.17 3h1iC1 GLN 75 HA -0.14 0.03 0.37 -0.75 4.36 3.87 3h1iC1 GLN 75 HB2 -0.09 -0.00 0.13 -0.04 2.15 2.15 3h1iC1 GLN 75 HB3 -0.28 -0.00 0.04 -0.04 2.02 1.73 3h1iC1 GLN 75 HG2 -0.08 0.08 0.17 -0.04 2.40 2.52 3h1iC1 GLN 75 HG3 -0.06 -0.00 0.10 -0.04 2.39 2.38 3h1iC1 GLN 75 HE21 -0.10 -0.02 0.04 -0.04 6.97 6.84 3h1iC1 GLN 75 HE22 -0.09 0.07 0.06 -0.04 7.69 7.69 3h1iC1 TYR 76 H -0.13 0.13 0.20 -0.55 8.29 7.93 3h1iC1 TYR 76 HA -0.44 -0.04 0.39 -0.75 4.56 3.71 3h1iC1 TYR 76 HB2 -0.16 0.15 -0.28 -0.04 3.06 2.73 3h1iC1 TYR 76 HB3 -0.35 -0.04 0.17 -0.04 2.98 2.71 3h1iC1 TYR 76 HD2 -0.01 0.01 0.03 -0.04 7.15 7.13 3h1iC1 TYR 76 HE2 0.10 0.01 0.02 -0.04 6.85 6.93 3h1iC1 GLY 77 H -0.04 0.77 -0.72 -0.55 8.43 7.89 3h1iC1 GLY 77 HA2 -0.13 -0.03 0.41 -0.51 4.01 3.75 3h1iC1 GLY 77 HA3 -0.09 0.40 0.41 -0.51 4.01 4.22 3h1iC1 TRP 78 H 0.25 0.34 0.02 -0.55 7.97 8.03 3h1iC1 TRP 78 HA 0.01 -0.01 0.39 -0.75 4.62 4.26 3h1iC1 TRP 78 HB2 0.03 -0.03 0.04 -0.04 3.23 3.22 3h1iC1 TRP 78 HB3 0.01 0.25 0.17 -0.04 3.23 3.62 3h1iC1 TRP 78 HD1 0.03 0.18 0.08 -0.04 7.22 7.47 3h1iC1 TRP 78 HE1 0.20 -0.03 0.07 -0.04 10.20 10.40 3h1iC1 TRP 78 HE3 0.01 -0.01 -0.28 -0.04 7.59 7.26 3h1iC1 TRP 78 HZ2 0.05 -0.02 0.04 -0.04 7.44 7.47 3h1iC1 TRP 78 HZ3 -0.06 0.13 0.04 -0.04 7.13 7.20 3h1iC1 TRP 78 HH2 -0.09 0.02 0.04 -0.04 7.19 7.12 3h1iC1 LEU 79 H -2.02 0.06 -0.32 -0.55 8.37 5.55 3h1iC1 LEU 79 HA -0.69 0.04 0.36 -0.75 4.35 3.31 3h1iC1 LEU 79 HB2 -2.47 -0.05 0.11 -0.04 1.64 -0.81 3h1iC1 LEU 79 HB3 -1.12 0.17 0.14 -0.04 1.64 0.78 3h1iC1 LEU 79 HG -0.46 0.03 -0.24 -0.04 1.64 0.93 3h1iC1 LEU 79 HD13 -0.36 -0.01 0.07 -0.04 0.93 0.58 3h1iC1 LEU 79 HD23 -0.58 -0.01 0.01 -0.04 0.89 0.27 3h1iC1 ILE 80 H -0.33 0.49 -0.22 -0.55 8.25 7.64 3h1iC1 ILE 80 HA -0.11 -0.04 0.48 -0.75 4.18 3.75 3h1iC1 ILE 80 HB -0.10 0.19 0.29 -0.04 1.89 2.23 3h1iC1 ILE 80 HG12 -0.13 -0.10 0.03 -0.04 1.49 1.25 3h1iC1 ILE 80 HG13 -0.15 0.29 0.04 -0.04 1.21 1.35 3h1iC1 ILE 80 HG23 -0.04 -0.05 -0.07 -0.04 0.93 0.73 3h1iC1 ILE 80 HD13 -0.04 -0.02 -0.03 -0.04 0.88 0.74 3h1iC1 ARG 81 H -0.02 0.68 0.06 -0.55 8.46 8.62 3h1iC1 ARG 81 HA 0.09 -0.04 0.33 -0.75 4.34 3.96 3h1iC1 ARG 81 HB2 0.06 0.09 0.08 -0.04 1.90 2.09 3h1iC1 ARG 81 HB3 0.12 -0.03 0.20 -0.04 1.80 2.06 3h1iC1 ARG 81 HG2 0.07 -0.01 0.00 -0.04 1.67 1.68 3h1iC1 ARG 81 HG3 0.06 -0.01 -0.04 -0.04 1.67 1.64 3h1iC1 ARG 81 HD2 0.14 0.01 -0.15 -0.04 3.22 3.17 3h1iC1 ARG 81 HD3 0.15 -0.08 -0.21 -0.04 3.22 3.03 3h1iC1 ASN 82 H 0.13 0.59 0.03 -0.55 8.53 8.73 3h1iC1 ASN 82 HA 0.16 -0.08 0.32 -0.75 4.76 4.41 3h1iC1 ASN 82 HB2 0.07 0.09 0.15 -0.04 2.88 3.14 3h1iC1 ASN 82 HB3 0.11 -0.00 0.09 -0.04 2.79 2.95 3h1iC1 ASN 82 HD21 0.40 -0.09 -0.03 -0.04 7.03 7.26 3h1iC1 ASN 82 HD22 0.37 0.23 0.06 -0.04 7.74 8.36 3h1iC1 LEU 83 H -0.01 0.60 -0.17 -0.55 8.37 8.24 3h1iC1 LEU 83 HA -0.05 -0.08 0.42 -0.75 4.35 3.89 3h1iC1 LEU 83 HB2 -0.00 0.24 0.29 -0.04 1.64 2.13 3h1iC1 LEU 83 HB3 0.12 -0.10 0.03 -0.04 1.64 1.65 3h1iC1 LEU 83 HG -0.20 0.09 0.12 -0.04 1.64 1.62 3h1iC1 LEU 83 HD13 -0.14 -0.03 -0.01 -0.04 0.93 0.71 3h1iC1 LEU 83 HD23 -0.46 -0.04 -0.00 -0.04 0.89 0.34 3h1iC1 HIS 84 H 0.20 0.79 0.08 -0.55 8.41 8.93 3h1iC1 HIS 84 HA 0.13 -0.03 0.37 -0.75 4.63 4.34 3h1iC1 HIS 84 HB2 0.06 0.03 0.05 -0.04 3.26 3.36 3h1iC1 HIS 84 HB3 0.09 0.04 0.14 -0.04 3.20 3.43 3h1iC1 HIS 84 HD2 0.09 -0.00 -0.11 -0.04 6.97 6.90 3h1iC1 HIS 84 HE1 0.00 0.01 -0.03 -0.04 7.75 7.69 3h1iC1 ALA 85 H 0.22 0.63 -0.07 -0.55 8.40 8.64 3h1iC1 ALA 85 HA 0.10 -0.01 0.38 -0.75 4.34 4.05 3h1iC1 ALA 85 HB3 0.19 0.01 0.02 -0.04 1.41 1.59 3h1iC1 ASN 86 H 0.27 0.80 0.09 -0.55 8.53 9.14 3h1iC1 ASN 86 HA 0.38 -0.04 0.48 -0.75 4.76 4.82 3h1iC1 ASN 86 HB2 0.43 0.12 0.08 -0.04 2.88 3.48 3h1iC1 ASN 86 HB3 0.63 -0.10 0.04 -0.04 2.79 3.32 3h1iC1 ASN 86 HD21 0.24 0.22 0.07 -0.04 7.03 7.53 3h1iC1 ASN 86 HD22 0.37 -0.13 0.04 -0.04 7.74 7.98 3h1iC1 GLY 87 H 0.43 0.73 -0.29 -0.55 8.43 8.76 3h1iC1 GLY 87 HA2 -0.34 -0.09 0.35 -0.51 4.01 3.42 3h1iC1 GLY 87 HA3 0.10 0.15 0.30 -0.51 4.01 4.05 3h1iC1 ALA 88 H 0.07 0.58 -0.18 -0.55 8.40 8.33 3h1iC1 ALA 88 HA 0.03 -0.04 0.34 -0.75 4.34 3.92 3h1iC1 ALA 88 HB3 0.02 0.06 0.14 -0.04 1.41 1.60 3h1iC1 SER 89 H 0.27 0.36 -0.13 -0.55 8.46 8.41 3h1iC1 SER 89 HA 0.28 -0.08 0.37 -0.75 4.49 4.31 3h1iC1 SER 89 HB2 0.48 0.16 0.21 -0.04 3.95 4.76 3h1iC1 SER 89 HB3 0.77 -0.08 0.03 -0.04 3.93 4.62 3h1iC1 PHE 90 H 0.46 0.83 0.01 -0.55 8.34 9.09 3h1iC1 PHE 90 HA 0.20 -0.09 0.38 -0.75 4.62 4.36 3h1iC1 PHE 90 HB2 -0.25 0.17 0.10 -0.04 3.15 3.13 3h1iC1 PHE 90 HB3 -0.21 -0.05 -0.03 -0.04 3.06 2.74 3h1iC1 PHE 90 HD2 0.20 0.06 -0.01 -0.04 7.28 7.49 3h1iC1 PHE 90 HE2 0.21 0.03 -0.05 -0.04 7.38 7.53 3h1iC1 PHE 90 HZ 0.18 -0.04 -0.25 -0.04 7.32 7.17 3h1iC1 PHE 91 H 0.25 0.79 -0.35 -0.55 8.34 8.48 3h1iC1 PHE 91 HA -0.09 -0.05 0.43 -0.75 4.62 4.16 3h1iC1 PHE 91 HB2 -0.13 0.08 0.08 -0.04 3.15 3.14 3h1iC1 PHE 91 HB3 -0.25 0.07 0.25 -0.04 3.06 3.09 3h1iC1 PHE 91 HD2 -0.28 -0.01 -0.26 -0.04 7.28 6.69 3h1iC1 PHE 91 HE2 -0.25 -0.03 -0.05 -0.04 7.38 7.01 3h1iC1 PHE 91 HZ -0.22 -0.02 -0.03 -0.04 7.32 7.01 3h1iC1 PHE 92 H 0.18 0.59 0.12 -0.55 8.34 8.68 3h1iC1 PHE 92 HA -0.25 -0.05 0.32 -0.75 4.62 3.88 3h1iC1 PHE 92 HB2 -0.21 0.13 0.18 -0.04 3.15 3.21 3h1iC1 PHE 92 HB3 0.04 -0.06 -0.01 -0.04 3.06 2.99 3h1iC1 PHE 92 HD2 -0.67 0.10 -0.01 -0.04 7.28 6.65 3h1iC1 PHE 92 HE2 -0.60 0.01 -0.06 -0.04 7.38 6.69 3h1iC1 PHE 92 HZ -0.44 0.03 -0.15 -0.04 7.32 6.72 3h1iC1 ILE 93 H 0.36 0.67 -0.25 -0.55 8.25 8.49 3h1iC1 ILE 93 HA 0.48 -0.02 0.44 -0.75 4.18 4.32 3h1iC1 ILE 93 HB 0.05 0.12 0.21 -0.04 1.89 2.24 3h1iC1 ILE 93 HG12 0.16 -0.06 -0.01 -0.04 1.49 1.54 3h1iC1 ILE 93 HG13 0.37 0.25 -0.08 -0.04 1.21 1.71 3h1iC1 ILE 93 HG23 0.01 -0.03 -0.15 -0.04 0.93 0.72 3h1iC1 ILE 93 HD13 -0.60 -0.02 -0.06 -0.04 0.88 0.16 3h1iC1 CYS 94 H 0.11 0.68 0.10 -0.55 8.50 8.85 3h1iC1 CYS 94 HA -0.05 -0.12 0.41 -0.75 4.58 4.07 3h1iC1 CYS 94 HB2 -0.03 0.30 0.26 -0.04 2.97 3.46 3h1iC1 CYS 94 HB3 0.04 -0.08 0.01 -0.04 2.97 2.91 3h1iC1 ILE 95 H -0.00 0.62 -0.30 -0.55 8.25 8.03 3h1iC1 ILE 95 HA -0.02 -0.02 0.36 -0.75 4.18 3.74 3h1iC1 ILE 95 HB -0.07 0.02 -0.01 -0.04 1.89 1.79 3h1iC1 ILE 95 HG12 -0.22 -0.01 -0.16 -0.04 1.49 1.05 3h1iC1 ILE 95 HG13 -0.09 -0.05 0.02 -0.04 1.21 1.05 3h1iC1 ILE 95 HG23 -0.61 0.01 0.04 -0.04 0.93 0.33 3h1iC1 ILE 95 HD13 -0.27 -0.00 -0.05 -0.04 0.88 0.52 3h1iC1 PHE 96 H 0.02 0.80 0.05 -0.55 8.34 8.66 3h1iC1 PHE 96 HA 0.08 0.02 0.50 -0.75 4.62 4.46 3h1iC1 PHE 96 HB2 0.14 0.12 0.23 -0.04 3.15 3.59 3h1iC1 PHE 96 HB3 0.10 -0.09 0.03 -0.04 3.06 3.06 3h1iC1 PHE 96 HD2 0.26 -0.03 -0.05 -0.04 7.28 7.42 3h1iC1 PHE 96 HE2 0.32 -0.05 -0.01 -0.04 7.38 7.60 3h1iC1 PHE 96 HZ 0.42 0.16 0.06 -0.04 7.32 7.92 3h1iC1 LEU 97 H 0.05 0.59 -0.10 -0.55 8.37 8.36 3h1iC1 LEU 97 HA 0.14 0.01 0.59 -0.75 4.35 4.33 3h1iC1 LEU 97 HB2 -0.96 0.09 0.12 -0.04 1.64 0.86 3h1iC1 LEU 97 HB3 -0.11 -0.09 0.06 -0.04 1.64 1.45 3h1iC1 LEU 97 HG -0.09 0.30 0.01 -0.04 1.64 1.82 3h1iC1 LEU 97 HD13 -0.39 -0.02 -0.05 -0.04 0.93 0.43 3h1iC1 LEU 97 HD23 0.18 -0.02 -0.05 -0.04 0.89 0.95 3h1iC1 HIS 98 H 0.06 0.75 -0.00 -0.55 8.41 8.67 3h1iC1 HIS 98 HA 0.17 -0.08 0.30 -0.75 4.63 4.26 3h1iC1 HIS 98 HB2 0.11 0.08 0.02 -0.04 3.26 3.43 3h1iC1 HIS 98 HB3 0.01 0.17 0.08 -0.04 3.20 3.42 3h1iC1 HIS 98 HD2 0.14 -0.19 -0.23 -0.04 6.97 6.65 3h1iC1 HIS 98 HE1 0.27 0.03 -0.06 -0.04 7.75 7.94 3h1iC1 ILE 99 H 0.12 0.45 -0.51 -0.55 8.25 7.76 3h1iC1 ILE 99 HA 0.04 0.02 0.47 -0.75 4.18 3.96 3h1iC1 ILE 99 HB 0.13 0.13 0.13 -0.04 1.89 2.23 3h1iC1 ILE 99 HG12 -0.07 -0.08 -0.04 -0.04 1.49 1.26 3h1iC1 ILE 99 HG13 0.00 0.36 0.05 -0.04 1.21 1.58 3h1iC1 ILE 99 HG23 0.09 -0.02 -0.10 -0.04 0.93 0.85 3h1iC1 ILE 99 HD13 -0.07 -0.02 -0.03 -0.04 0.88 0.71 3h1iC1 GLY 100 H 0.12 0.51 -0.06 -0.55 8.43 8.45 3h1iC1 GLY 100 HA2 0.12 -0.02 0.37 -0.51 4.01 3.97 3h1iC1 GLY 100 HA3 0.07 0.00 0.43 -0.51 4.01 4.00 3h1iC1 ARG 101 H 0.09 0.57 -0.01 -0.55 8.46 8.56 3h1iC1 ARG 101 HA -0.03 -0.08 0.30 -0.75 4.34 3.77 3h1iC1 ARG 101 HB2 0.16 -0.06 0.13 -0.04 1.90 2.09 3h1iC1 ARG 101 HB3 -0.10 0.13 0.11 -0.04 1.80 1.90 3h1iC1 ARG 101 HG2 -0.67 -0.15 -0.08 -0.04 1.67 0.73 3h1iC1 ARG 101 HG3 -0.86 0.29 0.02 -0.04 1.67 1.07 3h1iC1 ARG 101 HD2 -0.27 0.09 -1.32 -0.04 3.22 1.68 3h1iC1 ARG 101 HD3 -0.96 -0.09 -0.22 -0.04 3.22 1.90 3h1iC1 GLY 102 H -0.06 0.46 -0.24 -0.55 8.43 8.05 3h1iC1 GLY 102 HA2 -0.03 -0.14 0.32 -0.51 4.01 3.65 3h1iC1 GLY 102 HA3 0.22 0.11 0.30 -0.51 4.01 4.13 3h1iC1 LEU 103 H 0.21 0.76 -0.12 -0.55 8.37 8.67 3h1iC1 LEU 103 HA 0.18 -0.02 0.47 -0.75 4.35 4.23 3h1iC1 LEU 103 HB2 0.22 -0.00 0.10 -0.04 1.64 1.92 3h1iC1 LEU 103 HB3 0.36 0.06 0.21 -0.04 1.64 2.22 3h1iC1 LEU 103 HG 0.25 -0.04 -0.24 -0.04 1.64 1.56 3h1iC1 LEU 103 HD13 -0.10 -0.00 0.08 -0.04 0.93 0.86 3h1iC1 LEU 103 HD23 0.13 -0.01 -0.03 -0.04 0.89 0.95 3h1iC1 TYR 104 H 0.12 0.51 0.09 -0.55 8.29 8.45 3h1iC1 TYR 104 HA -0.46 0.05 0.46 -0.75 4.56 3.86 3h1iC1 TYR 104 HB2 -1.68 -0.02 0.07 -0.04 3.06 1.39 3h1iC1 TYR 104 HB3 -0.54 0.08 0.06 -0.04 2.98 2.53 3h1iC1 TYR 104 HD2 -1.75 0.03 -0.10 -0.04 7.15 5.30 3h1iC1 TYR 104 HE2 -0.56 -0.00 -0.05 -0.04 6.85 6.19 3h1iC1 TYR 105 H 0.13 0.56 -0.25 -0.55 8.29 8.18 3h1iC1 TYR 105 HA -0.26 0.07 1.05 -0.75 4.56 4.65 3h1iC1 TYR 105 HB2 -0.05 0.04 -0.06 -0.04 3.06 2.95 3h1iC1 TYR 105 HB3 0.07 -0.05 0.04 -0.04 2.98 3.00 3h1iC1 TYR 105 HD2 0.04 0.18 -0.04 -0.04 7.15 7.30 3h1iC1 TYR 105 HE2 -0.01 -0.03 0.01 -0.04 6.85 6.77 3h1iC1 GLY 106 H -0.20 0.37 -0.32 -0.55 8.43 7.73 3h1iC1 GLY 106 HA2 -1.48 0.05 0.37 -0.51 4.01 2.44 3h1iC1 GLY 106 HA3 -0.83 0.18 0.31 -0.51 4.01 3.16 3h1iC1 SER 107 H -0.24 0.46 -0.10 -0.55 8.46 8.03 3h1iC1 SER 107 HA -0.46 0.11 0.55 -0.75 4.49 3.94 3h1iC1 SER 107 HB2 -0.02 0.00 0.04 -0.04 3.95 3.93 3h1iC1 SER 107 HB3 -0.03 -0.03 0.07 -0.04 3.93 3.90 3h1iC1 TYR 108 H -0.53 0.23 -0.25 -0.55 8.29 7.19 3h1iC1 TYR 108 HA -0.48 -0.00 0.17 -0.75 4.56 3.50 3h1iC1 TYR 108 HB2 -1.89 0.03 0.04 -0.04 3.06 1.19 3h1iC1 TYR 108 HB3 -2.20 -0.01 -0.03 -0.04 2.98 0.69 3h1iC1 TYR 108 HD2 -0.57 0.01 -0.19 -0.04 7.15 6.36 3h1iC1 TYR 108 HE2 -0.35 0.16 0.03 -0.04 6.85 6.66 3h1iC1 LEU 109 H -0.64 0.31 -1.15 -0.55 8.37 6.35 3h1iC1 LEU 109 HA -0.26 0.16 0.70 -0.75 4.35 4.20 3h1iC1 LEU 109 HB2 -0.51 0.10 0.06 -0.04 1.64 1.26 3h1iC1 LEU 109 HB3 -0.25 -0.05 0.11 -0.04 1.64 1.41 3h1iC1 LEU 109 HG -1.01 0.06 -0.02 -0.04 1.64 0.64 3h1iC1 LEU 109 HD13 -0.45 -0.00 0.00 -0.04 0.93 0.44 3h1iC1 LEU 109 HD23 -0.37 -0.00 -0.06 -0.04 0.89 0.42 3h1iC1 TYR 110 H -0.12 0.71 -0.09 -0.55 8.29 8.24 3h1iC1 TYR 110 HA -0.03 0.15 0.58 -0.75 4.56 4.52 3h1iC1 TYR 110 HB2 0.03 0.06 0.11 -0.04 3.06 3.22 3h1iC1 TYR 110 HB3 0.03 -0.10 0.20 -0.04 2.98 3.06 3h1iC1 TYR 110 HD2 0.01 -0.03 -0.03 -0.04 7.15 7.07 3h1iC1 TYR 110 HE2 0.04 -0.12 -0.02 -0.04 6.85 6.70 3h1iC1 LYS 111 H 0.01 0.39 -1.22 -0.55 8.42 7.05 3h1iC1 LYS 111 HA 0.06 0.13 0.28 -0.75 4.32 4.03 3h1iC1 LYS 111 HB2 0.02 -0.06 0.04 -0.04 1.87 1.83 3h1iC1 LYS 111 HB3 0.02 -0.02 -0.01 -0.04 1.79 1.74 3h1iC1 LYS 111 HG2 -0.12 0.05 0.08 -0.04 1.46 1.42 3h1iC1 LYS 111 HG3 -0.04 0.16 0.07 -0.04 1.46 1.61 3h1iC1 LYS 111 HD2 0.06 -0.02 0.04 -0.04 1.69 1.72 3h1iC1 LYS 111 HD3 0.08 -0.06 0.01 -0.04 1.68 1.67 3h1iC1 LYS 111 HE2 0.23 -0.05 0.02 -0.04 2.99 3.15 3h1iC1 LYS 111 HE3 -0.02 0.02 -0.01 -0.04 2.99 2.94 3h1iC1 GLU 112 H -0.06 0.16 -0.05 -0.55 8.60 8.11 3h1iC1 GLU 112 HA -0.20 -0.01 0.41 -0.75 4.29 3.74 3h1iC1 GLU 112 HB2 -0.55 0.05 0.10 -0.04 2.09 1.65 3h1iC1 GLU 112 HB3 -1.71 -0.01 0.03 -0.04 1.99 0.25 3h1iC1 GLU 112 HG2 -0.44 0.02 0.03 -0.04 2.34 1.91 3h1iC1 GLU 112 HG3 -0.20 -0.04 0.06 -0.04 2.34 2.12 3h1iC1 THR 113 H -0.00 0.37 0.01 -0.55 8.28 8.10 3h1iC1 THR 113 HA 0.05 0.02 0.34 -0.75 4.39 4.04 3h1iC1 THR 113 HB 0.20 0.04 0.02 -0.04 4.32 4.54 3h1iC1 THR 113 HG23 -0.14 0.01 -0.07 -0.04 1.22 0.98 3h1iC1 TRP 114 H 0.32 0.30 -0.70 -0.55 7.97 7.34 3h1iC1 TRP 114 HA 0.13 -0.01 0.37 -0.75 4.62 4.35 3h1iC1 TRP 114 HB2 0.06 -0.09 -0.16 -0.04 3.23 3.01 3h1iC1 TRP 114 HB3 0.03 0.20 0.00 -0.04 3.23 3.43 3h1iC1 TRP 114 HD1 0.03 0.02 -0.11 -0.04 7.22 7.11 3h1iC1 TRP 114 HE1 -0.09 0.23 -0.21 -0.04 10.20 10.09 3h1iC1 TRP 114 HE3 0.05 -0.03 -0.14 -0.04 7.59 7.43 3h1iC1 TRP 114 HZ2 -0.14 0.07 0.00 -0.04 7.44 7.33 3h1iC1 TRP 114 HZ3 0.02 -0.03 -0.08 -0.04 7.13 6.99 3h1iC1 TRP 114 HH2 -0.04 0.01 -0.05 -0.04 7.19 7.06 3h1iC1 ASN 115 H 0.31 0.92 0.18 -0.55 8.53 9.40 3h1iC1 ASN 115 HA 0.23 -0.02 0.35 -0.75 4.76 4.56 3h1iC1 ASN 115 HB2 0.10 0.02 0.14 -0.04 2.88 3.10 3h1iC1 ASN 115 HB3 0.25 -0.06 0.00 -0.04 2.79 2.94 3h1iC1 ASN 115 HD21 0.10 0.02 -0.06 -0.04 7.03 7.05 3h1iC1 ASN 115 HD22 0.04 -0.06 -0.08 -0.04 7.74 7.61 3h1iC1 THR 116 H 0.10 0.66 -0.17 -0.55 8.28 8.32 3h1iC1 THR 116 HA 0.11 -0.04 0.36 -0.75 4.39 4.06 3h1iC1 THR 116 HB 0.20 -0.08 0.00 -0.04 4.32 4.40 3h1iC1 THR 116 HG23 0.23 0.03 -0.02 -0.04 1.22 1.42 3h1iC1 GLY 117 H 0.10 0.44 -0.32 -0.55 8.43 8.11 3h1iC1 GLY 117 HA2 -0.34 -0.06 0.38 -0.51 4.01 3.49 3h1iC1 GLY 117 HA3 -0.18 0.09 0.33 -0.51 4.01 3.74 3h1iC1 VAL 118 H -0.48 0.49 -0.09 -0.55 8.24 7.62 3h1iC1 VAL 118 HA -0.46 -0.03 0.30 -0.75 4.13 3.18 3h1iC1 VAL 118 HB -0.68 0.02 0.10 -0.04 2.12 1.53 3h1iC1 VAL 118 HG13 -0.93 -0.03 -0.03 -0.04 0.97 -0.06 3h1iC1 VAL 118 HG23 -0.90 0.04 0.02 -0.04 0.95 0.08 3h1iC1 ILE 119 H -0.03 0.54 -0.11 -0.55 8.25 8.10 3h1iC1 ILE 119 HA 0.04 -0.07 0.30 -0.75 4.18 3.69 3h1iC1 ILE 119 HB 0.04 0.23 0.20 -0.04 1.89 2.31 3h1iC1 ILE 119 HG12 0.23 0.12 0.03 -0.04 1.49 1.83 3h1iC1 ILE 119 HG13 0.12 -0.04 -0.00 -0.04 1.21 1.24 3h1iC1 ILE 119 HG23 0.03 -0.03 -0.15 -0.04 0.93 0.74 3h1iC1 ILE 119 HD13 0.14 -0.02 0.00 -0.04 0.88 0.96 3h1iC1 LEU 120 H -0.11 0.80 -0.09 -0.55 8.37 8.43 3h1iC1 LEU 120 HA -0.09 -0.10 0.42 -0.75 4.35 3.82 3h1iC1 LEU 120 HB2 -0.22 0.20 0.25 -0.04 1.64 1.83 3h1iC1 LEU 120 HB3 -0.16 -0.10 0.03 -0.04 1.64 1.36 3h1iC1 LEU 120 HG -0.08 -0.02 0.02 -0.04 1.64 1.52 3h1iC1 LEU 120 HD13 -0.29 0.00 -0.25 -0.04 0.93 0.36 3h1iC1 LEU 120 HD23 -0.08 -0.05 -0.02 -0.04 0.89 0.70 3h1iC1 LEU 121 H -0.20 0.77 0.05 -0.55 8.37 8.44 3h1iC1 LEU 121 HA -0.24 -0.09 0.31 -0.75 4.35 3.57 3h1iC1 LEU 121 HB2 -0.21 -0.04 0.06 -0.04 1.64 1.41 3h1iC1 LEU 121 HB3 -0.20 0.13 0.21 -0.04 1.64 1.74 3h1iC1 LEU 121 HG -0.07 -0.01 -0.39 -0.04 1.64 1.13 3h1iC1 LEU 121 HD13 -0.23 -0.02 -0.02 -0.04 0.93 0.61 3h1iC1 LEU 121 HD23 -0.05 -0.01 -0.04 -0.04 0.89 0.76 3h1iC1 LEU 122 H -0.11 0.69 -0.02 -0.55 8.37 8.37 3h1iC1 LEU 122 HA -0.01 -0.05 0.36 -0.75 4.35 3.89 3h1iC1 LEU 122 HB2 -0.01 0.17 0.13 -0.04 1.64 1.89 3h1iC1 LEU 122 HB3 0.02 -0.07 -0.03 -0.04 1.64 1.53 3h1iC1 LEU 122 HG -0.08 0.06 -0.06 -0.04 1.64 1.52 3h1iC1 LEU 122 HD13 0.09 -0.02 -0.07 -0.04 0.93 0.89 3h1iC1 LEU 122 HD23 0.02 -0.02 -0.02 -0.04 0.89 0.83 3h1iC1 THR 123 H -0.05 0.72 -0.06 -0.55 8.28 8.34 3h1iC1 THR 123 HA -0.01 -0.08 0.37 -0.75 4.39 3.91 3h1iC1 THR 123 HB -0.09 0.16 0.22 -0.04 4.32 4.57 3h1iC1 THR 123 HG23 -0.05 -0.04 -0.13 -0.04 1.22 0.96 3h1iC1 LEU 124 H -0.19 0.80 0.06 -0.55 8.37 8.49 3h1iC1 LEU 124 HA -0.34 -0.08 0.39 -0.75 4.35 3.56 3h1iC1 LEU 124 HB2 -0.57 -0.04 0.08 -0.04 1.64 1.07 3h1iC1 LEU 124 HB3 -0.46 0.24 0.19 -0.04 1.64 1.56 3h1iC1 LEU 124 HG -1.10 0.00 -0.34 -0.04 1.64 0.16 3h1iC1 LEU 124 HD13 -1.19 -0.03 0.02 -0.04 0.93 -0.32 3h1iC1 LEU 124 HD23 -1.44 -0.01 -0.08 -0.04 0.89 -0.68 3h1iC1 MET 125 H -0.08 0.64 -0.14 -0.55 8.47 8.34 3h1iC1 MET 125 HA 0.48 -0.07 0.34 -0.75 4.52 4.51 3h1iC1 MET 125 HB2 0.08 0.36 0.22 -0.04 2.15 2.77 3h1iC1 MET 125 HB3 0.17 -0.10 -0.03 -0.04 2.03 2.02 3h1iC1 MET 125 HG2 0.56 -0.07 0.01 -0.04 2.63 3.09 3h1iC1 MET 125 HG3 0.12 0.14 -0.02 -0.04 2.56 2.75 3h1iC1 MET 125 HE3 0.14 -0.01 -0.09 -0.04 2.10 2.10 3h1iC1 ALA 126 H 0.07 0.57 -0.01 -0.55 8.40 8.48 3h1iC1 ALA 126 HA 0.23 -0.04 0.42 -0.75 4.34 4.19 3h1iC1 ALA 126 HB3 0.07 -0.00 0.11 -0.04 1.41 1.55 3h1iC1 THR 127 H 0.02 0.87 0.06 -0.55 8.28 8.67 3h1iC1 THR 127 HA 0.08 -0.05 0.33 -0.75 4.39 3.99 3h1iC1 THR 127 HB -0.10 0.14 0.21 -0.04 4.32 4.52 3h1iC1 THR 127 HG23 -0.04 -0.01 -0.17 -0.04 1.22 0.97 3h1iC1 ALA 128 H 0.04 0.93 -0.00 -0.55 8.40 8.82 3h1iC1 ALA 128 HA 0.10 -0.05 0.35 -0.75 4.34 3.98 3h1iC1 ALA 128 HB3 0.04 -0.01 0.05 -0.04 1.41 1.45 3h1iC1 PHE 129 H 0.37 0.54 -0.49 -0.55 8.34 8.20 3h1iC1 PHE 129 HA 0.29 -0.07 0.45 -0.75 4.62 4.54 3h1iC1 PHE 129 HB2 0.19 -0.02 0.12 -0.04 3.15 3.40 3h1iC1 PHE 129 HB3 0.11 0.34 0.35 -0.04 3.06 3.82 3h1iC1 PHE 129 HD2 0.16 -0.01 -0.03 -0.04 7.28 7.36 3h1iC1 PHE 129 HE2 0.21 -0.03 -0.17 -0.04 7.38 7.35 3h1iC1 PHE 129 HZ 0.36 0.03 -0.00 -0.04 7.32 7.67 3h1iC1 VAL 130 H -0.09 0.44 0.10 -0.55 8.24 8.15 3h1iC1 VAL 130 HA -0.36 -0.05 0.33 -0.75 4.13 3.29 3h1iC1 VAL 130 HB -0.05 0.02 -0.01 -0.04 2.12 2.04 3h1iC1 VAL 130 HG13 -0.78 -0.01 0.05 -0.04 0.97 0.20 3h1iC1 VAL 130 HG23 0.09 0.04 0.11 -0.04 0.95 1.14 3h1iC1 GLY 131 H -0.12 0.60 -0.22 -0.55 8.43 8.14 3h1iC1 GLY 131 HA2 -1.11 -0.02 0.32 -0.51 4.01 2.69 3h1iC1 GLY 131 HA3 -0.62 0.05 0.26 -0.51 4.01 3.19 3h1iC1 TYR 132 H 0.20 0.54 -0.24 -0.55 8.29 8.24 3h1iC1 TYR 132 HA 0.06 -0.02 0.41 -0.75 4.56 4.25 3h1iC1 TYR 132 HB2 0.14 0.12 0.18 -0.04 3.06 3.47 3h1iC1 TYR 132 HB3 0.22 0.10 0.11 -0.04 2.98 3.36 3h1iC1 TYR 132 HD2 0.13 0.05 -0.05 -0.04 7.15 7.24 3h1iC1 TYR 132 HE2 0.07 0.00 -0.08 -0.04 6.85 6.80 3h1iC1 VAL 133 H 0.18 0.40 -0.10 -0.55 8.24 8.18 3h1iC1 VAL 133 HA 0.05 -0.11 0.42 -0.75 4.13 3.74 3h1iC1 VAL 133 HB 0.26 0.12 0.07 -0.04 2.12 2.53 3h1iC1 VAL 133 HG13 0.15 -0.01 -0.09 -0.04 0.97 0.98 3h1iC1 VAL 133 HG23 0.17 0.06 0.03 -0.04 0.95 1.17 3h1iC1 LEU 134 H 0.10 0.47 -0.39 -0.55 8.37 8.00 3h1iC1 LEU 134 HA 0.27 -0.07 0.30 -0.75 4.35 4.09 3h1iC1 LEU 134 HB2 -0.12 0.22 0.14 -0.04 1.64 1.84 3h1iC1 LEU 134 HB3 -0.50 -0.13 -0.03 -0.04 1.64 0.94 3h1iC1 LEU 134 HG 0.01 0.25 0.02 -0.04 1.64 1.88 3h1iC1 LEU 134 HD13 -0.06 -0.00 0.01 -0.04 0.93 0.84 3h1iC1 LEU 134 HD23 0.29 -0.05 -0.06 -0.04 0.89 1.03 3h1iC1 PRO 135 HA 0.20 0.07 0.36 -0.51 4.44 4.56 3h1iC1 PRO 135 HB2 0.02 -0.09 -0.02 -0.04 2.28 2.15 3h1iC1 PRO 135 HB3 0.02 -0.00 0.11 -0.04 2.02 2.11 3h1iC1 PRO 135 HG2 0.04 0.01 0.08 -0.04 2.03 2.11 3h1iC1 PRO 135 HG3 0.02 -0.00 0.07 -0.04 2.03 2.08 3h1iC1 PRO 135 HD2 0.02 0.70 -0.07 -0.04 3.68 4.29 3h1iC1 PRO 135 HD3 0.00 0.27 0.15 -0.04 3.65 4.03 3h1iC1 TRP 136 H 0.37 0.43 -0.85 -0.55 7.97 7.37 3h1iC1 TRP 136 HA 0.04 0.08 0.28 -0.75 4.62 4.26 3h1iC1 TRP 136 HB2 0.10 0.12 -0.19 -0.04 3.23 3.22 3h1iC1 TRP 136 HB3 0.12 -0.04 0.15 -0.04 3.23 3.42 3h1iC1 TRP 136 HD1 -0.02 0.03 0.13 -0.04 7.22 7.32 3h1iC1 TRP 136 HE1 -0.04 -0.03 0.02 -0.04 10.20 10.11 3h1iC1 TRP 136 HE3 0.01 0.45 0.04 -0.04 7.59 8.05 3h1iC1 TRP 136 HZ2 0.05 -0.01 -0.10 -0.04 7.44 7.34 3h1iC1 TRP 136 HZ3 -0.20 0.03 -0.11 -0.04 7.13 6.81 3h1iC1 TRP 136 HH2 -0.25 -0.02 -0.17 -0.04 7.19 6.71 3h1iC1 GLY 137 H 0.01 0.04 -0.24 -0.55 8.43 7.69 3h1iC1 GLY 137 HA2 -0.02 0.14 0.53 -0.51 4.01 4.15 3h1iC1 GLY 137 HA3 0.04 0.12 0.21 -0.51 4.01 3.87 3h1iC1 GLN 138 H 0.00 0.43 0.08 -0.55 8.47 8.44 3h1iC1 GLN 138 HA 0.06 -0.04 0.40 -0.75 4.36 4.03 3h1iC1 GLN 138 HB2 0.08 0.23 0.28 -0.04 2.15 2.70 3h1iC1 GLN 138 HB3 0.16 -0.06 -0.02 -0.04 2.02 2.06 3h1iC1 GLN 138 HG2 0.01 0.40 0.02 -0.04 2.40 2.79 3h1iC1 GLN 138 HG3 0.05 -0.05 0.10 -0.04 2.39 2.44 3h1iC1 GLN 138 HE21 0.17 0.58 0.29 -0.04 6.97 7.98 3h1iC1 GLN 138 HE22 0.03 -0.10 0.08 -0.04 7.69 7.65 3h1iC1 MET 139 H 0.07 0.11 -0.20 -0.55 8.47 7.90 3h1iC1 MET 139 HA 0.20 0.08 0.28 -0.75 4.52 4.33 3h1iC1 MET 139 HB2 -0.06 -0.05 0.00 -0.04 2.15 2.00 3h1iC1 MET 139 HB3 0.32 0.04 -0.11 -0.04 2.03 2.24 3h1iC1 MET 139 HG2 0.15 -0.07 -0.21 -0.04 2.63 2.46 3h1iC1 MET 139 HG3 0.24 0.07 -0.07 -0.04 2.56 2.76 3h1iC1 MET 139 HE3 0.09 0.03 -0.00 -0.04 2.10 2.17 3h1iC1 SER 140 H -0.27 0.03 -0.28 -0.55 8.46 7.40 3h1iC1 SER 140 HA -0.23 0.04 0.11 -0.75 4.49 3.66 3h1iC1 SER 140 HB2 -0.20 0.12 0.04 -0.04 3.95 3.87 3h1iC1 SER 140 HB3 -0.08 0.28 0.12 -0.04 3.93 4.21 3h1iC1 PHE 141 H -0.25 0.56 -0.48 -0.55 8.34 7.61 3h1iC1 PHE 141 HA -0.91 -0.01 0.31 -0.75 4.62 3.26 3h1iC1 PHE 141 HB2 -0.99 0.03 0.04 -0.04 3.15 2.18 3h1iC1 PHE 141 HB3 -0.88 0.06 0.18 -0.04 3.06 2.38 3h1iC1 PHE 141 HD2 -2.29 0.01 -0.13 -0.04 7.28 4.84 3h1iC1 PHE 141 HE2 -0.99 0.09 -0.01 -0.04 7.38 6.43 3h1iC1 PHE 141 HZ -0.52 0.01 0.05 -0.04 7.32 6.82 3h1iC1 TRP 142 H -0.03 0.51 0.12 -0.55 7.97 8.02 3h1iC1 TRP 142 HA -0.05 -0.02 0.41 -0.75 4.62 4.20 3h1iC1 TRP 142 HB2 0.04 0.05 0.09 -0.04 3.23 3.36 3h1iC1 TRP 142 HB3 0.04 -0.02 0.00 -0.04 3.23 3.21 3h1iC1 TRP 142 HD1 0.02 0.21 0.11 -0.04 7.22 7.52 3h1iC1 TRP 142 HE1 -0.12 0.06 0.07 -0.04 10.20 10.17 3h1iC1 TRP 142 HE3 0.07 -0.03 -0.01 -0.04 7.59 7.58 3h1iC1 TRP 142 HZ2 -0.12 0.05 -0.33 -0.04 7.44 7.01 3h1iC1 TRP 142 HZ3 0.09 -0.01 -0.05 -0.04 7.13 7.12 3h1iC1 TRP 142 HH2 0.05 0.14 -0.19 -0.04 7.19 7.15 3h1iC1 GLY 143 H 0.16 0.83 -0.24 -0.55 8.43 8.64 3h1iC1 GLY 143 HA2 0.14 -0.01 0.39 -0.51 4.01 4.02 3h1iC1 GLY 143 HA3 0.23 0.05 0.18 -0.51 4.01 3.96 3h1iC1 ALA 144 H 0.08 0.61 -0.10 -0.55 8.40 8.43 3h1iC1 ALA 144 HA 0.69 -0.07 0.33 -0.75 4.34 4.54 3h1iC1 ALA 144 HB3 -0.21 0.07 0.15 -0.04 1.41 1.39 3h1iC1 THR 145 H -0.28 0.51 -0.22 -0.55 8.28 7.74 3h1iC1 THR 145 HA -0.03 -0.07 0.30 -0.75 4.39 3.83 3h1iC1 THR 145 HB 0.13 0.14 0.01 -0.04 4.32 4.55 3h1iC1 THR 145 HG23 -0.07 -0.04 0.03 -0.04 1.22 1.11 3h1iC1 VAL 146 H 0.14 0.50 -0.25 -0.55 8.24 8.07 3h1iC1 VAL 146 HA 0.17 0.09 0.71 -0.75 4.13 4.34 3h1iC1 VAL 146 HB 0.07 -0.04 0.20 -0.04 2.12 2.31 3h1iC1 VAL 146 HG13 0.06 -0.01 -0.17 -0.04 0.97 0.80 3h1iC1 VAL 146 HG23 0.16 0.08 -0.03 -0.04 0.95 1.11 3h1iC1 ILE 147 H 0.02 0.48 0.13 -0.55 8.25 8.34 3h1iC1 ILE 147 HA -0.09 -0.00 0.29 -0.75 4.18 3.62 3h1iC1 ILE 147 HB -0.42 0.04 0.06 -0.04 1.89 1.53 3h1iC1 ILE 147 HG12 -0.35 -0.03 0.02 -0.04 1.49 1.09 3h1iC1 ILE 147 HG13 -0.19 0.12 0.11 -0.04 1.21 1.20 3h1iC1 ILE 147 HG23 -0.66 -0.01 -0.13 -0.04 0.93 0.10 3h1iC1 ILE 147 HD13 -0.83 -0.02 -0.07 -0.04 0.88 -0.08 3h1iC1 THR 148 H 0.38 0.45 -0.19 -0.55 8.28 8.38 3h1iC1 THR 148 HA 0.37 0.01 0.35 -0.75 4.39 4.36 3h1iC1 THR 148 HB 0.11 -0.07 -0.08 -0.04 4.32 4.24 3h1iC1 THR 148 HG23 0.66 -0.01 -0.01 -0.04 1.22 1.82 3h1iC1 ASN 149 H 0.35 0.29 -0.33 -0.55 8.53 8.29 3h1iC1 ASN 149 HA 0.09 -0.09 0.26 -0.75 4.76 4.27 3h1iC1 ASN 149 HB2 0.27 0.42 0.31 -0.04 2.88 3.85 3h1iC1 ASN 149 HB3 0.16 -0.07 -0.00 -0.04 2.79 2.83 3h1iC1 ASN 149 HD21 0.33 -0.09 0.04 -0.04 7.03 7.28 3h1iC1 ASN 149 HD22 0.26 0.07 0.06 -0.04 7.74 8.09 3h1iC1 LEU 150 H 0.12 0.52 -0.63 -0.55 8.37 7.83 3h1iC1 LEU 150 HA -0.06 -0.04 0.32 -0.75 4.35 3.81 3h1iC1 LEU 150 HB2 -0.18 0.25 0.14 -0.04 1.64 1.81 3h1iC1 LEU 150 HB3 -0.33 -0.13 -0.01 -0.04 1.64 1.13 3h1iC1 LEU 150 HG -0.02 0.13 -0.04 -0.04 1.64 1.67 3h1iC1 LEU 150 HD13 -0.13 -0.01 0.02 -0.04 0.93 0.77 3h1iC1 LEU 150 HD23 -0.07 -0.03 -0.03 -0.04 0.89 0.71 3h1iC1 PHE 151 H 0.33 0.75 -0.19 -0.55 8.34 8.69 3h1iC1 PHE 151 HA -0.05 -0.00 0.44 -0.75 4.62 4.25 3h1iC1 PHE 151 HB2 -0.09 0.10 -0.04 -0.04 3.15 3.07 3h1iC1 PHE 151 HB3 -0.08 -0.09 0.03 -0.04 3.06 2.88 3h1iC1 PHE 151 HD2 -0.01 0.30 0.12 -0.04 7.28 7.65 3h1iC1 PHE 151 HE2 0.02 0.01 -0.04 -0.04 7.38 7.33 3h1iC1 PHE 151 HZ 0.02 -0.02 -0.04 -0.04 7.32 7.23 3h1iC1 SER 152 H 0.03 0.93 -0.33 -0.55 8.46 8.54 3h1iC1 SER 152 HA -0.11 -0.07 0.18 -0.75 4.49 3.74 3h1iC1 SER 152 HB2 0.09 -0.11 0.08 -0.04 3.95 3.97 3h1iC1 SER 152 HB3 0.05 -0.04 0.09 -0.04 3.93 3.98 3h1iC1 ALA 153 H -0.09 0.40 -0.63 -0.55 8.40 7.54 3h1iC1 ALA 153 HA -0.08 -0.00 0.42 -0.75 4.34 3.91 3h1iC1 ALA 153 HB3 -0.10 -0.01 0.05 -0.04 1.41 1.31 3h1iC1 ILE 154 H -0.10 0.41 -0.22 -0.55 8.25 7.79 3h1iC1 ILE 154 HA -0.10 0.07 0.49 -0.75 4.18 3.88 3h1iC1 ILE 154 HB -0.06 -0.07 0.03 -0.04 1.89 1.76 3h1iC1 ILE 154 HG12 -0.07 -0.01 0.01 -0.04 1.49 1.38 3h1iC1 ILE 154 HG13 -0.07 0.04 0.11 -0.04 1.21 1.25 3h1iC1 ILE 154 HG23 -0.07 0.03 -0.02 -0.04 0.93 0.83 3h1iC1 ILE 154 HD13 0.07 -0.01 -0.00 -0.04 0.88 0.90 3h1iC1 PRO 155 HA -0.11 0.11 0.55 -0.51 4.44 4.49 3h1iC1 PRO 155 HB2 -0.65 -0.01 0.05 -0.04 2.28 1.64 3h1iC1 PRO 155 HB3 -0.17 0.06 0.12 -0.04 2.02 1.99 3h1iC1 PRO 155 HG2 -0.37 -0.01 0.12 -0.04 2.03 1.72 3h1iC1 PRO 155 HG3 -0.23 0.04 0.10 -0.04 2.03 1.90 3h1iC1 PRO 155 HD2 -0.14 0.05 0.26 -0.04 3.68 3.81 3h1iC1 PRO 155 HD3 -0.13 0.29 0.26 -0.04 3.65 4.03 3h1iC1 TYR 156 H 0.27 0.17 0.16 -0.55 8.29 8.34 3h1iC1 TYR 156 HA -0.03 0.04 0.39 -0.75 4.56 4.21 3h1iC1 TYR 156 HB2 -0.03 0.12 0.26 -0.04 3.06 3.36 3h1iC1 TYR 156 HB3 -0.02 0.02 0.10 -0.04 2.98 3.04 3h1iC1 TYR 156 HD2 -0.02 -0.02 0.04 -0.04 7.15 7.10 3h1iC1 TYR 156 HE2 -0.01 0.02 0.00 -0.04 6.85 6.82 3h1iC1 ILE 157 H 0.11 0.28 0.25 -0.55 8.25 8.34 3h1iC1 ILE 157 HA -0.06 0.01 0.33 -0.75 4.18 3.71 3h1iC1 ILE 157 HB -0.07 -0.01 0.05 -0.04 1.89 1.81 3h1iC1 ILE 157 HG12 -0.01 0.18 0.08 -0.04 1.49 1.70 3h1iC1 ILE 157 HG13 -0.04 0.06 -0.24 -0.04 1.21 0.95 3h1iC1 ILE 157 HG23 0.04 0.00 0.09 -0.04 0.93 1.01 3h1iC1 ILE 157 HD13 0.01 -0.01 -0.01 -0.04 0.88 0.83 3h1iC1 GLY 158 H -0.06 0.15 -1.11 -0.55 8.43 6.86 3h1iC1 GLY 158 HA2 -0.08 0.06 0.24 -0.51 4.01 3.73 3h1iC1 GLY 158 HA3 -0.17 0.45 0.27 -0.51 4.01 4.06 3h1iC1 HIS 159 H -0.26 0.19 0.03 -0.55 8.41 7.84 3h1iC1 HIS 159 HA -0.10 0.03 0.33 -0.75 4.63 4.14 3h1iC1 HIS 159 HB2 -0.05 0.01 0.08 -0.04 3.26 3.26 3h1iC1 HIS 159 HB3 -0.07 -0.00 0.06 -0.04 3.20 3.15 3h1iC1 HIS 159 HD2 -0.00 -0.04 0.06 -0.04 6.97 6.94 3h1iC1 HIS 159 HE1 -0.00 0.01 0.04 -0.04 7.75 7.75 3h1iC1 THR 160 H -0.10 0.17 -0.75 -0.55 8.28 7.05 3h1iC1 THR 160 HA -0.17 0.03 0.51 -0.75 4.39 4.00 3h1iC1 THR 160 HB -0.29 0.15 0.11 -0.04 4.32 4.25 3h1iC1 THR 160 HG23 -0.63 -0.02 -0.14 -0.04 1.22 0.39 3h1iC1 LEU 161 H -0.35 0.95 0.25 -0.55 8.37 8.68 3h1iC1 LEU 161 HA -0.77 -0.08 0.31 -0.75 4.35 3.07 3h1iC1 LEU 161 HB2 -0.19 0.17 0.07 -0.04 1.64 1.65 3h1iC1 LEU 161 HB3 -0.12 -0.01 -0.07 -0.04 1.64 1.40 3h1iC1 LEU 161 HG -0.15 -0.05 0.04 -0.04 1.64 1.44 3h1iC1 LEU 161 HD13 0.04 -0.02 -0.06 -0.04 0.93 0.85 3h1iC1 LEU 161 HD23 -0.14 -0.02 -0.02 -0.04 0.89 0.66 3h1iC1 VAL 162 H -0.25 0.39 -0.60 -0.55 8.24 7.24 3h1iC1 VAL 162 HA -0.41 -0.01 0.32 -0.75 4.13 3.28 3h1iC1 VAL 162 HB -0.42 0.10 0.04 -0.04 2.12 1.80 3h1iC1 VAL 162 HG13 -1.46 -0.03 -0.20 -0.04 0.97 -0.77 3h1iC1 VAL 162 HG23 -0.17 0.06 -0.19 -0.04 0.95 0.61 3h1iC1 GLU 163 H -0.21 0.34 -0.01 -0.55 8.60 8.17 3h1iC1 GLU 163 HA 0.11 0.05 0.31 -0.75 4.29 4.01 3h1iC1 GLU 163 HB2 0.12 -0.04 0.18 -0.04 2.09 2.31 3h1iC1 GLU 163 HB3 -0.22 0.24 0.22 -0.04 1.99 2.19 3h1iC1 GLU 163 HG2 0.19 -0.01 -0.32 -0.04 2.34 2.17 3h1iC1 GLU 163 HG3 0.05 0.04 -0.06 -0.04 2.34 2.33 3h1iC1 TRP 164 H -0.22 0.30 -0.38 -0.55 7.97 7.12 3h1iC1 TRP 164 HA 0.01 -0.04 0.31 -0.75 4.62 4.15 3h1iC1 TRP 164 HB2 -0.05 0.14 0.14 -0.04 3.23 3.43 3h1iC1 TRP 164 HB3 -0.01 -0.04 -0.01 -0.04 3.23 3.13 3h1iC1 TRP 164 HD1 0.00 -0.02 -0.08 -0.04 7.22 7.08 3h1iC1 TRP 164 HE1 0.01 -0.04 -0.05 -0.04 10.20 10.08 3h1iC1 TRP 164 HE3 -0.04 0.04 0.01 -0.04 7.59 7.57 3h1iC1 TRP 164 HZ2 0.01 -0.03 -0.04 -0.04 7.44 7.34 3h1iC1 TRP 164 HZ3 -0.01 -0.01 -0.01 -0.04 7.13 7.06 3h1iC1 TRP 164 HH2 0.01 -0.03 -0.02 -0.04 7.19 7.11 3h1iC1 ALA 165 H 0.11 0.40 0.09 -0.55 8.40 8.46 3h1iC1 ALA 165 HA 0.20 -0.07 0.33 -0.75 4.34 4.06 3h1iC1 ALA 165 HB3 -0.04 -0.02 0.11 -0.04 1.41 1.42 3h1iC1 TRP 166 H 0.08 0.38 -0.32 -0.55 7.97 7.56 3h1iC1 TRP 166 HA 0.06 -0.00 0.45 -0.75 4.62 4.38 3h1iC1 TRP 166 HB2 0.10 0.14 -0.22 -0.04 3.23 3.21 3h1iC1 TRP 166 HB3 0.05 -0.10 -0.20 -0.04 3.23 2.94 3h1iC1 TRP 166 HD1 0.09 0.04 -0.25 -0.04 7.22 7.06 3h1iC1 TRP 166 HE1 0.10 0.08 -0.12 -0.04 10.20 10.22 3h1iC1 TRP 166 HE3 0.13 -0.03 -0.63 -0.04 7.59 7.02 3h1iC1 TRP 166 HZ2 0.06 0.13 0.01 -0.04 7.44 7.59 3h1iC1 TRP 166 HZ3 0.09 0.18 -0.17 -0.04 7.13 7.19 3h1iC1 TRP 166 HH2 0.07 0.04 -0.01 -0.04 7.19 7.25 3h1iC1 GLY 167 H 0.26 0.75 -0.02 -0.55 8.43 8.88 3h1iC1 GLY 167 HA2 0.15 -0.01 0.36 -0.51 4.01 4.00 3h1iC1 GLY 167 HA3 0.13 -0.03 0.44 -0.51 4.01 4.04 3h1iC1 GLY 168 H 0.30 0.00 -0.70 -0.55 8.43 7.49 3h1iC1 GLY 168 HA2 -0.05 0.19 0.77 -0.51 4.01 4.41 3h1iC1 GLY 168 HA3 0.10 -0.06 0.32 -0.51 4.01 3.86 3h1iC1 PHE 169 H 0.24 0.11 0.17 -0.55 8.34 8.30 3h1iC1 PHE 169 HA 0.27 0.23 0.84 -0.75 4.62 5.20 3h1iC1 PHE 169 HB2 0.11 -0.04 0.05 -0.04 3.15 3.22 3h1iC1 PHE 169 HB3 0.13 0.01 0.11 -0.04 3.06 3.27 3h1iC1 PHE 169 HD2 0.10 0.04 0.07 -0.04 7.28 7.44 3h1iC1 PHE 169 HE2 0.04 -0.01 -0.01 -0.04 7.38 7.36 3h1iC1 PHE 169 HZ 0.04 -0.02 -0.03 -0.04 7.32 7.27 3h1iC1 SER 170 H 0.25 0.20 0.12 -0.55 8.46 8.48 3h1iC1 SER 170 HA -0.32 0.16 0.50 -0.75 4.49 4.08 3h1iC1 SER 170 HB2 -0.12 0.05 0.06 -0.04 3.95 3.90 3h1iC1 SER 170 HB3 0.07 0.06 -0.19 -0.04 3.93 3.83 3h1iC1 VAL 171 H -1.09 0.19 0.06 -0.55 8.24 6.86 3h1iC1 VAL 171 HA -0.71 0.06 0.43 -0.75 4.13 3.16 3h1iC1 VAL 171 HB -1.06 -0.00 0.16 -0.04 2.12 1.18 3h1iC1 VAL 171 HG13 -0.45 0.01 -0.16 -0.04 0.97 0.32 3h1iC1 VAL 171 HG23 -1.57 0.01 -0.08 -0.04 0.95 -0.73 3h1iC1 ASP 172 H -0.07 0.27 0.35 -0.55 8.40 8.40 3h1iC1 ASP 172 HA 0.17 0.21 0.85 -0.75 4.63 5.11 3h1iC1 ASP 172 HB2 0.01 0.06 -0.19 -0.04 2.71 2.55 3h1iC1 ASP 172 HB3 0.01 0.02 0.04 -0.04 2.70 2.73 3h1iC1 ASN 173 H -0.04 0.16 0.18 -0.55 8.53 8.29 3h1iC1 ASN 173 HA -0.32 -0.07 0.40 -0.75 4.76 4.01 3h1iC1 ASN 173 HB2 -0.12 -0.02 0.23 -0.04 2.88 2.93 3h1iC1 ASN 173 HB3 -0.08 0.12 0.18 -0.04 2.79 2.98 3h1iC1 ASN 173 HD21 -0.10 0.08 -0.01 -0.04 7.03 6.96 3h1iC1 ASN 173 HD22 -0.07 0.07 -0.05 -0.04 7.74 7.64 3h1iC1 PRO 174 HA -0.00 -0.03 0.40 -0.51 4.44 4.30 3h1iC1 PRO 174 HB2 0.06 0.20 0.04 -0.04 2.28 2.54 3h1iC1 PRO 174 HB3 0.01 -0.02 0.12 -0.04 2.02 2.09 3h1iC1 PRO 174 HG2 0.04 0.14 -0.05 -0.04 2.03 2.12 3h1iC1 PRO 174 HG3 0.03 0.03 -0.09 -0.04 2.03 1.96 3h1iC1 PRO 174 HD2 -0.02 -0.17 -0.47 -0.04 3.68 2.98 3h1iC1 PRO 174 HD3 -0.02 0.11 0.09 -0.04 3.65 3.79 3h1iC1 THR 175 H -0.02 0.49 -0.22 -0.55 8.28 7.99 3h1iC1 THR 175 HA 0.09 0.19 0.50 -0.75 4.39 4.42 3h1iC1 THR 175 HB -0.15 -0.12 0.13 -0.04 4.32 4.14 3h1iC1 THR 175 HG23 -0.62 0.01 -0.06 -0.04 1.22 0.51 3h1iC1 LEU 176 H -0.23 0.16 0.01 -0.55 8.37 7.76 3h1iC1 LEU 176 HA -0.10 0.02 0.23 -0.75 4.35 3.75 3h1iC1 LEU 176 HB2 -1.23 -0.01 0.06 -0.04 1.64 0.42 3h1iC1 LEU 176 HB3 -0.49 -0.02 0.11 -0.04 1.64 1.20 3h1iC1 LEU 176 HG -0.21 -0.03 -0.30 -0.04 1.64 1.06 3h1iC1 LEU 176 HD13 0.06 0.05 0.02 -0.04 0.93 1.01 3h1iC1 LEU 176 HD23 -0.97 -0.07 -0.04 -0.04 0.89 -0.23 3h1iC1 THR 177 H -0.05 0.47 -0.35 -0.55 8.28 7.80 3h1iC1 THR 177 HA 0.11 0.02 0.48 -0.75 4.39 4.24 3h1iC1 THR 177 HB 0.07 -0.03 0.02 -0.04 4.32 4.34 3h1iC1 THR 177 HG23 -0.05 -0.01 0.02 -0.04 1.22 1.14 3h1iC1 ARG 178 H 0.12 0.56 0.13 -0.55 8.46 8.71 3h1iC1 ARG 178 HA 0.12 -0.06 0.38 -0.75 4.34 4.02 3h1iC1 ARG 178 HB2 0.12 -0.09 0.12 -0.04 1.90 2.01 3h1iC1 ARG 178 HB3 0.11 -0.00 0.19 -0.04 1.80 2.06 3h1iC1 ARG 178 HG2 0.27 0.21 0.33 -0.04 1.67 2.44 3h1iC1 ARG 178 HG3 0.42 -0.09 -0.11 -0.04 1.67 1.85 3h1iC1 ARG 178 HD2 0.27 0.46 -0.03 -0.04 3.22 3.89 3h1iC1 ARG 178 HD3 0.17 -0.15 -0.03 -0.04 3.22 3.17 3h1iC1 PHE 179 H 0.39 0.75 -0.36 -0.55 8.34 8.56 3h1iC1 PHE 179 HA 0.05 0.01 0.46 -0.75 4.62 4.40 3h1iC1 PHE 179 HB2 0.10 0.09 -0.05 -0.04 3.15 3.25 3h1iC1 PHE 179 HB3 0.05 -0.03 -0.10 -0.04 3.06 2.94 3h1iC1 PHE 179 HD2 -0.04 0.03 -0.04 -0.04 7.28 7.19 3h1iC1 PHE 179 HE2 -0.15 0.09 -0.06 -0.04 7.38 7.22 3h1iC1 PHE 179 HZ 0.23 -0.03 -0.07 -0.04 7.32 7.41 3h1iC1 PHE 180 H 0.40 0.57 -0.06 -0.55 8.34 8.70 3h1iC1 PHE 180 HA 0.20 0.01 0.42 -0.75 4.62 4.49 3h1iC1 PHE 180 HB2 0.28 -0.01 0.19 -0.04 3.15 3.57 3h1iC1 PHE 180 HB3 0.17 0.15 0.32 -0.04 3.06 3.67 3h1iC1 PHE 180 HD2 0.14 0.01 0.01 -0.04 7.28 7.40 3h1iC1 PHE 180 HE2 0.17 0.02 -0.03 -0.04 7.38 7.50 3h1iC1 PHE 180 HZ 0.34 0.08 -0.00 -0.04 7.32 7.70 3h1iC1 ALA 181 H 0.22 0.67 0.01 -0.55 8.40 8.75 3h1iC1 ALA 181 HA -0.20 -0.01 0.33 -0.75 4.34 3.70 3h1iC1 ALA 181 HB3 0.02 0.02 0.07 -0.04 1.41 1.49 3h1iC1 LEU 182 H 0.06 0.55 -0.42 -0.55 8.37 8.01 3h1iC1 LEU 182 HA -0.01 -0.06 0.47 -0.75 4.35 4.01 3h1iC1 LEU 182 HB2 -0.03 0.20 0.19 -0.04 1.64 1.97 3h1iC1 LEU 182 HB3 -0.06 0.12 0.21 -0.04 1.64 1.87 3h1iC1 LEU 182 HG -0.09 -0.03 -0.11 -0.04 1.64 1.37 3h1iC1 LEU 182 HD13 -0.03 -0.04 0.08 -0.04 0.93 0.89 3h1iC1 LEU 182 HD23 -0.16 -0.01 -0.01 -0.04 0.89 0.67 3h1iC1 HIS 183 H 0.12 0.78 0.06 -0.55 8.41 8.82 3h1iC1 HIS 183 HA -0.03 -0.05 0.41 -0.75 4.63 4.20 3h1iC1 HIS 183 HB2 0.04 -0.03 0.01 -0.04 3.26 3.24 3h1iC1 HIS 183 HB3 0.04 0.10 0.13 -0.04 3.20 3.43 3h1iC1 HIS 183 HD2 0.05 0.01 -0.10 -0.04 6.97 6.90 3h1iC1 HIS 183 HE1 0.02 -0.04 -0.11 -0.04 7.75 7.58 3h1iC1 PHE 184 H -0.03 0.72 -0.25 -0.55 8.34 8.23 3h1iC1 PHE 184 HA -0.23 -0.01 0.32 -0.75 4.62 3.94 3h1iC1 PHE 184 HB2 -0.71 0.01 0.02 -0.04 3.15 2.42 3h1iC1 PHE 184 HB3 -0.26 0.11 0.12 -0.04 3.06 2.98 3h1iC1 PHE 184 HD2 -0.11 0.02 -0.26 -0.04 7.28 6.88 3h1iC1 PHE 184 HE2 0.19 -0.01 -0.03 -0.04 7.38 7.49 3h1iC1 PHE 184 HZ 0.08 -0.03 -0.02 -0.04 7.32 7.31 3h1iC1 LEU 185 H 0.10 0.47 -0.13 -0.55 8.37 8.26 3h1iC1 LEU 185 HA 0.39 -0.01 0.43 -0.75 4.35 4.41 3h1iC1 LEU 185 HB2 0.04 -0.03 0.11 -0.04 1.64 1.71 3h1iC1 LEU 185 HB3 0.04 0.14 0.27 -0.04 1.64 2.05 3h1iC1 LEU 185 HG 0.05 -0.01 -0.32 -0.04 1.64 1.32 3h1iC1 LEU 185 HD13 0.07 -0.03 -0.05 -0.04 0.93 0.88 3h1iC1 LEU 185 HD23 -0.00 -0.01 -0.01 -0.04 0.89 0.82 3h1iC1 LEU 186 H 0.01 0.71 0.12 -0.55 8.37 8.66 3h1iC1 LEU 186 HA 0.01 -0.10 0.36 -0.75 4.35 3.86 3h1iC1 LEU 186 HB2 -0.06 0.18 0.12 -0.04 1.64 1.85 3h1iC1 LEU 186 HB3 -0.05 -0.10 -0.07 -0.04 1.64 1.38 3h1iC1 LEU 186 HG -0.01 0.16 0.07 -0.04 1.64 1.81 3h1iC1 LEU 186 HD13 -0.01 -0.01 -0.08 -0.04 0.93 0.78 3h1iC1 LEU 186 HD23 -0.00 -0.04 0.03 -0.04 0.89 0.83 3h1iC1 PRO 187 HA -0.18 -0.04 0.44 -0.51 4.44 4.15 3h1iC1 PRO 187 HB2 -0.63 0.07 0.05 -0.04 2.28 1.73 3h1iC1 PRO 187 HB3 -0.31 -0.05 0.07 -0.04 2.02 1.69 3h1iC1 PRO 187 HG2 -0.47 0.11 0.04 -0.04 2.03 1.67 3h1iC1 PRO 187 HG3 -0.33 -0.09 0.06 -0.04 2.03 1.63 3h1iC1 PRO 187 HD2 -0.21 0.33 -0.60 -0.04 3.68 3.16 3h1iC1 PRO 187 HD3 -0.22 0.18 0.02 -0.04 3.65 3.58 3h1iC1 PHE 188 H -0.21 0.56 -0.20 -0.55 8.34 7.94 3h1iC1 PHE 188 HA -0.02 -0.04 0.40 -0.75 4.62 4.20 3h1iC1 PHE 188 HB2 0.00 0.27 0.17 -0.04 3.15 3.55 3h1iC1 PHE 188 HB3 -0.00 -0.10 0.02 -0.04 3.06 2.94 3h1iC1 PHE 188 HD2 0.04 0.05 0.12 -0.04 7.28 7.46 3h1iC1 PHE 188 HE2 0.19 0.00 0.00 -0.04 7.38 7.53 3h1iC1 PHE 188 HZ 0.06 -0.02 0.01 -0.04 7.32 7.33 3h1iC1 ALA 189 H 0.09 0.38 -0.14 -0.55 8.40 8.18 3h1iC1 ALA 189 HA 0.05 -0.01 0.42 -0.75 4.34 4.05 3h1iC1 ALA 189 HB3 0.02 0.02 0.08 -0.04 1.41 1.49 3h1iC1 ILE 190 H -0.03 0.53 -0.16 -0.55 8.25 8.05 3h1iC1 ILE 190 HA -0.03 -0.02 0.46 -0.75 4.18 3.84 3h1iC1 ILE 190 HB -0.07 0.29 0.26 -0.04 1.89 2.33 3h1iC1 ILE 190 HG12 -0.10 -0.01 0.05 -0.04 1.49 1.39 3h1iC1 ILE 190 HG13 -0.07 -0.02 -0.01 -0.04 1.21 1.07 3h1iC1 ILE 190 HG23 -0.02 -0.02 -0.12 -0.04 0.93 0.73 3h1iC1 ILE 190 HD13 -0.17 -0.01 -0.12 -0.04 0.88 0.53 3h1iC1 ALA 191 H -0.02 0.60 0.03 -0.55 8.40 8.46 3h1iC1 ALA 191 HA -0.00 -0.05 0.30 -0.75 4.34 3.84 3h1iC1 ALA 191 HB3 0.04 0.06 0.09 -0.04 1.41 1.57 3h1iC1 GLY 192 H 0.04 0.49 -0.40 -0.55 8.43 8.02 3h1iC1 GLY 192 HA2 0.02 -0.01 0.41 -0.51 4.01 3.92 3h1iC1 GLY 192 HA3 0.03 0.03 0.33 -0.51 4.01 3.89 3h1iC1 ILE 193 H 0.02 0.67 0.14 -0.55 8.25 8.53 3h1iC1 ILE 193 HA 0.04 -0.06 0.40 -0.75 4.18 3.81 3h1iC1 ILE 193 HB -0.00 0.05 0.14 -0.04 1.89 2.04 3h1iC1 ILE 193 HG12 0.03 -0.10 0.08 -0.04 1.49 1.46 3h1iC1 ILE 193 HG13 0.02 0.58 0.28 -0.04 1.21 2.05 3h1iC1 ILE 193 HG23 0.05 -0.03 0.01 -0.04 0.93 0.91 3h1iC1 ILE 193 HD13 0.01 -0.04 -0.09 -0.04 0.88 0.72 3h1iC1 THR 194 H -0.00 0.87 -0.19 -0.55 8.28 8.41 3h1iC1 THR 194 HA 0.02 -0.06 0.36 -0.75 4.39 3.96 3h1iC1 THR 194 HB -0.00 0.21 0.08 -0.04 4.32 4.57 3h1iC1 THR 194 HG23 -0.01 -0.03 -0.09 -0.04 1.22 1.05 3h1iC1 ILE 195 H 0.01 0.58 -0.15 -0.55 8.25 8.15 3h1iC1 ILE 195 HA -0.02 -0.05 0.34 -0.75 4.18 3.70 3h1iC1 ILE 195 HB -0.01 0.20 0.15 -0.04 1.89 2.19 3h1iC1 ILE 195 HG12 0.00 0.39 0.25 -0.04 1.49 2.09 3h1iC1 ILE 195 HG13 0.00 -0.10 0.07 -0.04 1.21 1.14 3h1iC1 ILE 195 HG23 -0.04 -0.04 -0.08 -0.04 0.93 0.73 3h1iC1 ILE 195 HD13 -0.01 -0.04 0.01 -0.04 0.88 0.80 3h1iC1 ILE 196 H 0.02 0.39 -0.31 -0.55 8.25 7.80 3h1iC1 ILE 196 HA -0.10 0.02 0.57 -0.75 4.18 3.91 3h1iC1 ILE 196 HB 0.09 0.18 0.25 -0.04 1.89 2.38 3h1iC1 ILE 196 HG12 -0.06 -0.04 0.00 -0.04 1.49 1.35 3h1iC1 ILE 196 HG13 -0.01 0.09 -0.01 -0.04 1.21 1.24 3h1iC1 ILE 196 HG23 0.07 -0.03 -0.11 -0.04 0.93 0.83 3h1iC1 ILE 196 HD13 0.04 -0.02 -0.02 -0.04 0.88 0.84 3h1iC1 HIS 197 H 0.18 0.75 0.15 -0.55 8.41 8.95 3h1iC1 HIS 197 HA 0.18 -0.03 0.35 -0.75 4.63 4.38 3h1iC1 HIS 197 HB2 0.05 -0.01 0.05 -0.04 3.26 3.31 3h1iC1 HIS 197 HB3 0.02 0.14 0.22 -0.04 3.20 3.54 3h1iC1 HIS 197 HD2 0.06 -0.01 -0.09 -0.04 6.97 6.89 3h1iC1 HIS 197 HE1 0.09 -0.01 0.02 -0.04 7.75 7.81 3h1iC1 LEU 198 H 0.06 0.73 -0.21 -0.55 8.37 8.40 3h1iC1 LEU 198 HA -0.17 -0.04 0.40 -0.75 4.35 3.78 3h1iC1 LEU 198 HB2 -0.09 0.14 0.06 -0.04 1.64 1.70 3h1iC1 LEU 198 HB3 -0.37 0.01 -0.08 -0.04 1.64 1.16 3h1iC1 LEU 198 HG 0.02 -0.02 -0.02 -0.04 1.64 1.58 3h1iC1 LEU 198 HD13 -0.04 -0.00 -0.02 -0.04 0.93 0.83 3h1iC1 LEU 198 HD23 -0.07 -0.02 0.04 -0.04 0.89 0.80 3h1iC1 THR 199 H -0.13 0.45 -0.23 -0.55 8.28 7.82 3h1iC1 THR 199 HA -0.22 0.03 0.57 -0.75 4.39 4.01 3h1iC1 THR 199 HB -0.22 0.10 0.34 -0.04 4.32 4.49 3h1iC1 THR 199 HG23 -0.30 -0.03 -0.18 -0.04 1.22 0.67 3h1iC1 PHE 200 H -0.09 0.50 0.03 -0.55 8.34 8.22 3h1iC1 PHE 200 HA -0.03 -0.01 0.33 -0.75 4.62 4.16 3h1iC1 PHE 200 HB2 -0.03 0.15 0.03 -0.04 3.15 3.27 3h1iC1 PHE 200 HB3 -0.01 -0.12 -0.06 -0.04 3.06 2.83 3h1iC1 PHE 200 HD2 0.03 0.03 -0.09 -0.04 7.28 7.20 3h1iC1 PHE 200 HE2 0.04 -0.01 -0.03 -0.04 7.38 7.33 3h1iC1 PHE 200 HZ 0.03 -0.01 -0.02 -0.04 7.32 7.28 3h1iC1 LEU 201 H -0.02 0.47 -0.41 -0.55 8.37 7.86 3h1iC1 LEU 201 HA -0.10 -0.03 0.44 -0.75 4.35 3.91 3h1iC1 LEU 201 HB2 -0.14 0.08 0.13 -0.04 1.64 1.67 3h1iC1 LEU 201 HB3 -0.10 0.14 0.21 -0.04 1.64 1.85 3h1iC1 LEU 201 HG 0.04 0.01 -0.22 -0.04 1.64 1.43 3h1iC1 LEU 201 HD13 0.03 -0.03 0.03 -0.04 0.93 0.91 3h1iC1 LEU 201 HD23 0.11 -0.02 -0.03 -0.04 0.89 0.91 3h1iC1 HIS 202 H -0.08 0.60 0.08 -0.55 8.41 8.47 3h1iC1 HIS 202 HA -0.04 -0.10 0.33 -0.75 4.63 4.07 3h1iC1 HIS 202 HB2 -0.04 0.14 0.18 -0.04 3.26 3.51 3h1iC1 HIS 202 HB3 -0.04 -0.05 0.16 -0.04 3.20 3.23 3h1iC1 HIS 202 HD2 -0.02 -0.13 0.07 -0.04 6.97 6.84 3h1iC1 HIS 202 HE1 -0.07 -0.06 0.03 -0.04 7.75 7.60 3h1iC1 GLU 203 H 0.02 0.38 -1.06 -0.55 8.60 7.39 3h1iC1 GLU 203 HA 0.02 0.02 0.64 -0.75 4.29 4.21 3h1iC1 GLU 203 HB2 0.03 0.31 0.22 -0.04 2.09 2.61 3h1iC1 GLU 203 HB3 0.02 -0.11 0.07 -0.04 1.99 1.93 3h1iC1 GLU 203 HG2 0.02 0.12 -0.06 -0.04 2.34 2.39 3h1iC1 GLU 203 HG3 0.10 -0.11 0.03 -0.04 2.34 2.32 3h1iC1 SER 204 H -0.12 0.89 0.31 -0.55 8.46 8.98 3h1iC1 SER 204 HA -0.07 0.10 0.90 -0.75 4.49 4.66 3h1iC1 SER 204 HB2 -0.34 -0.09 0.10 -0.04 3.95 3.57 3h1iC1 SER 204 HB3 -0.26 -0.10 0.06 -0.04 3.93 3.60 3h1iC1 GLY 205 H -0.06 0.12 -0.06 -0.55 8.43 7.89 3h1iC1 GLY 205 HA2 0.00 0.02 0.31 -0.51 4.01 3.83 3h1iC1 GLY 205 HA3 -0.01 0.11 0.60 -0.51 4.01 4.20 3h1iC1 SER 206 H 0.04 0.13 0.19 -0.55 8.46 8.27 3h1iC1 SER 206 HA 0.26 0.09 0.66 -0.75 4.49 4.74 3h1iC1 SER 206 HB2 -0.00 0.06 0.10 -0.04 3.95 4.06 3h1iC1 SER 206 HB3 0.34 -0.10 0.10 -0.04 3.93 4.24 3h1iC1 ASN 207 H 0.50 0.02 0.09 -0.55 8.53 8.60 3h1iC1 ASN 207 HA 0.17 0.15 0.43 -0.75 4.76 4.75 3h1iC1 ASN 207 HB2 0.06 0.04 0.13 -0.04 2.88 3.07 3h1iC1 ASN 207 HB3 0.51 -0.06 0.07 -0.04 2.79 3.27 3h1iC1 ASN 207 HD21 -0.14 0.19 -0.07 -0.04 7.03 6.97 3h1iC1 ASN 207 HD22 -0.07 -0.11 -0.13 -0.04 7.74 7.39 3h1iC1 ASN 208 H 0.11 0.21 0.04 -0.55 8.53 8.35 3h1iC1 ASN 208 HA -0.93 0.04 0.26 -0.75 4.76 3.37 3h1iC1 ASN 208 HB2 -0.37 -0.08 0.05 -0.04 2.88 2.44 3h1iC1 ASN 208 HB3 -0.20 0.45 -0.15 -0.04 2.79 2.84 3h1iC1 ASN 208 HD21 -0.04 0.13 -0.06 -0.04 7.03 7.02 3h1iC1 ASN 208 HD22 -0.06 0.11 -0.17 -0.04 7.74 7.58 3h1iC1 PRO 209 HA 0.56 0.04 0.36 -0.51 4.44 4.88 3h1iC1 PRO 209 HB2 0.02 -0.01 0.08 -0.04 2.28 2.34 3h1iC1 PRO 209 HB3 0.24 0.04 0.06 -0.04 2.02 2.32 3h1iC1 PRO 209 HG2 -0.07 0.34 0.15 -0.04 2.03 2.41 3h1iC1 PRO 209 HG3 0.03 -0.05 0.14 -0.04 2.03 2.10 3h1iC1 PRO 209 HD2 -0.35 0.14 -0.11 -0.04 3.68 3.32 3h1iC1 PRO 209 HD3 -1.12 0.08 0.14 -0.04 3.65 2.71 3h1iC1 LEU 210 H -0.03 0.09 -0.13 -0.55 8.37 7.76 3h1iC1 LEU 210 HA -0.24 0.07 0.48 -0.75 4.35 3.91 3h1iC1 LEU 210 HB2 -0.01 0.00 0.01 -0.04 1.64 1.60 3h1iC1 LEU 210 HB3 0.03 0.04 0.00 -0.04 1.64 1.67 3h1iC1 LEU 210 HG 0.01 -0.08 -0.01 -0.04 1.64 1.52 3h1iC1 LEU 210 HD13 0.05 0.01 -0.03 -0.04 0.93 0.93 3h1iC1 LEU 210 HD23 0.08 0.01 -0.02 -0.04 0.89 0.92 3h1iC1 GLY 211 H -0.02 0.55 -0.05 -0.55 8.43 8.36 3h1iC1 GLY 211 HA2 -0.04 0.05 0.30 -0.51 4.01 3.81 3h1iC1 GLY 211 HA3 -0.08 -0.07 0.46 -0.51 4.01 3.82 3h1iC1 ILE 212 H -0.02 0.18 -0.07 -0.55 8.25 7.79 3h1iC1 ILE 212 HA 0.00 0.16 0.66 -0.75 4.18 4.25 3h1iC1 ILE 212 HB 0.02 0.02 -0.04 -0.04 1.89 1.85 3h1iC1 ILE 212 HG12 0.02 -0.11 -0.39 -0.04 1.49 0.97 3h1iC1 ILE 212 HG13 0.02 0.01 -0.15 -0.04 1.21 1.04 3h1iC1 ILE 212 HG23 0.05 0.04 -0.10 -0.04 0.93 0.88 3h1iC1 ILE 212 HD13 0.07 0.01 -0.09 -0.04 0.88 0.83 3h1iC1 SER 213 H 0.01 0.15 0.09 -0.55 8.46 8.17 3h1iC1 SER 213 HA 0.01 0.03 0.36 -0.75 4.49 4.14 3h1iC1 SER 213 HB2 0.01 0.08 0.15 -0.04 3.95 4.15 3h1iC1 SER 213 HB3 0.01 0.02 0.12 -0.04 3.93 4.04 3h1iC1 SER 214 H 0.01 0.20 0.17 -0.55 8.46 8.29 3h1iC1 SER 214 HA -0.01 0.19 0.75 -0.75 4.49 4.66 3h1iC1 SER 214 HB2 -0.03 -0.04 0.04 -0.04 3.95 3.89 3h1iC1 SER 214 HB3 -0.04 -0.03 0.07 -0.04 3.93 3.89 3h1iC1 ASP 215 H 0.01 0.07 -0.12 -0.55 8.40 7.81 3h1iC1 ASP 215 HA 0.01 0.10 0.28 -0.75 4.63 4.27 3h1iC1 ASP 215 HB2 0.01 -0.01 -0.01 -0.04 2.71 2.66 3h1iC1 ASP 215 HB3 0.01 0.05 0.04 -0.04 2.70 2.76 3h1iC1 SER 216 H 0.01 0.09 -0.70 -0.55 8.46 7.31 3h1iC1 SER 216 HA 0.01 0.11 0.43 -0.75 4.49 4.29 3h1iC1 SER 216 HB2 0.01 0.02 0.04 -0.04 3.95 3.98 3h1iC1 SER 216 HB3 0.01 -0.01 0.06 -0.04 3.93 3.94 3h1iC1 ASP 217 H 0.01 0.40 -0.61 -0.55 8.40 7.65 3h1iC1 ASP 217 HA 0.02 0.07 0.45 -0.75 4.63 4.41 3h1iC1 ASP 217 HB2 0.01 0.22 -0.09 -0.04 2.71 2.80 3h1iC1 ASP 217 HB3 -0.00 -0.10 -0.03 -0.04 2.70 2.53 3h1iC1 LYS 218 H 0.02 0.15 0.10 -0.55 8.42 8.13 3h1iC1 LYS 218 HA 0.03 0.18 0.91 -0.75 4.32 4.69 3h1iC1 LYS 218 HB2 0.03 -0.02 -0.00 -0.04 1.87 1.84 3h1iC1 LYS 218 HB3 0.03 -0.03 -0.04 -0.04 1.79 1.71 3h1iC1 LYS 218 HG2 0.01 0.15 -0.32 -0.04 1.46 1.25 3h1iC1 LYS 218 HG3 0.01 -0.01 -0.09 -0.04 1.46 1.33 3h1iC1 LYS 218 HD2 0.01 0.03 -0.28 -0.04 1.69 1.40 3h1iC1 LYS 218 HD3 -0.01 -0.02 -0.44 -0.04 1.68 1.16 3h1iC1 LYS 218 HE2 -0.00 -0.22 -0.52 -0.04 2.99 2.20 3h1iC1 LYS 218 HE3 0.01 -0.03 -0.19 -0.04 2.99 2.73 3h1iC1 ILE 219 H 0.10 0.66 0.28 -0.55 8.25 8.75 3h1iC1 ILE 219 HA 0.16 0.18 0.88 -0.75 4.18 4.64 3h1iC1 ILE 219 HB 0.66 0.03 -0.05 -0.04 1.89 2.49 3h1iC1 ILE 219 HG12 0.18 0.12 -0.16 -0.04 1.49 1.59 3h1iC1 ILE 219 HG13 0.44 -0.04 -0.13 -0.04 1.21 1.44 3h1iC1 ILE 219 HG23 0.12 -0.02 -0.28 -0.04 0.93 0.71 3h1iC1 ILE 219 HD13 -0.01 -0.00 -0.05 -0.04 0.88 0.77 3h1iC1 PRO 220 HA 0.11 0.09 0.25 -0.51 4.44 4.38 3h1iC1 PRO 220 HB2 0.05 0.21 0.16 -0.04 2.28 2.66 3h1iC1 PRO 220 HB3 0.03 -0.05 0.14 -0.04 2.02 2.11 3h1iC1 PRO 220 HG2 -0.20 -0.01 0.05 -0.04 2.03 1.83 3h1iC1 PRO 220 HG3 -0.11 -0.02 0.14 -0.04 2.03 2.00 3h1iC1 PRO 220 HD2 0.13 0.05 0.17 -0.04 3.68 3.99 3h1iC1 PRO 220 HD3 0.05 0.12 0.20 -0.04 3.65 3.99 3h1iC1 PHE 221 H 0.26 0.70 0.18 -0.55 8.34 8.92 3h1iC1 PHE 221 HA 0.28 -0.04 0.34 -0.75 4.62 4.46 3h1iC1 PHE 221 HB2 0.05 0.12 -0.03 -0.04 3.15 3.24 3h1iC1 PHE 221 HB3 0.08 -0.08 -0.28 -0.04 3.06 2.74 3h1iC1 PHE 221 HD2 0.05 0.13 -0.22 -0.04 7.28 7.21 3h1iC1 PHE 221 HE2 0.07 -0.02 -0.09 -0.04 7.38 7.29 3h1iC1 PHE 221 HZ 0.11 -0.01 -0.07 -0.04 7.32 7.31 3h1iC1 HIS 222 H 0.26 0.44 -0.18 -0.55 8.41 8.39 3h1iC1 HIS 222 HA -0.00 -0.07 0.72 -0.75 4.63 4.52 3h1iC1 HIS 222 HB2 0.11 0.17 0.21 -0.04 3.26 3.71 3h1iC1 HIS 222 HB3 0.03 0.05 0.15 -0.04 3.20 3.40 3h1iC1 HIS 222 HD2 -0.04 0.02 -0.29 -0.04 6.97 6.62 3h1iC1 HIS 222 HE1 -0.19 -0.01 0.02 -0.04 7.75 7.52 3h1iC1 PRO 223 HA -1.15 0.01 0.41 -0.51 4.44 3.20 3h1iC1 PRO 223 HB2 0.25 0.00 0.07 -0.04 2.28 2.57 3h1iC1 PRO 223 HB3 -0.32 0.03 0.10 -0.04 2.02 1.79 3h1iC1 PRO 223 HG2 -0.20 0.05 -0.04 -0.04 2.03 1.80 3h1iC1 PRO 223 HG3 -0.12 0.03 0.07 -0.04 2.03 1.97 3h1iC1 PRO 223 HD2 -0.71 0.13 0.24 -0.04 3.68 3.30 3h1iC1 PRO 223 HD3 -0.17 0.12 0.31 -0.04 3.65 3.87 3h1iC1 TYR 224 H -0.37 0.30 -0.23 -0.55 8.29 7.44 3h1iC1 TYR 224 HA -0.22 -0.00 0.38 -0.75 4.56 3.96 3h1iC1 TYR 224 HB2 -0.19 0.23 0.02 -0.04 3.06 3.08 3h1iC1 TYR 224 HB3 -0.64 0.02 0.04 -0.04 2.98 2.36 3h1iC1 TYR 224 HD2 -0.07 -0.00 -0.07 -0.04 7.15 6.96 3h1iC1 TYR 224 HE2 -0.04 -0.01 -0.00 -0.04 6.85 6.75 3h1iC1 TYR 225 H -0.24 0.35 0.10 -0.55 8.29 7.95 3h1iC1 TYR 225 HA -0.21 -0.03 0.36 -0.75 4.56 3.92 3h1iC1 TYR 225 HB2 -1.73 0.11 0.13 -0.04 3.06 1.52 3h1iC1 TYR 225 HB3 -0.67 -0.06 0.07 -0.04 2.98 2.29 3h1iC1 TYR 225 HD2 -0.17 0.02 -0.01 -0.04 7.15 6.96 3h1iC1 TYR 225 HE2 -0.09 0.07 -0.09 -0.04 6.85 6.70 3h1iC1 SER 226 H -0.26 0.27 -0.42 -0.55 8.46 7.50 3h1iC1 SER 226 HA 0.17 0.07 0.47 -0.75 4.49 4.44 3h1iC1 SER 226 HB2 -0.13 -0.04 0.04 -0.04 3.95 3.78 3h1iC1 SER 226 HB3 0.23 0.11 0.08 -0.04 3.93 4.30 3h1iC1 PHE 227 H -0.15 0.68 0.15 -0.55 8.34 8.47 3h1iC1 PHE 227 HA -0.03 -0.04 0.42 -0.75 4.62 4.22 3h1iC1 PHE 227 HB2 -0.11 0.28 0.25 -0.04 3.15 3.53 3h1iC1 PHE 227 HB3 -0.07 -0.07 0.03 -0.04 3.06 2.91 3h1iC1 PHE 227 HD2 -0.10 0.05 0.08 -0.04 7.28 7.26 3h1iC1 PHE 227 HE2 -0.07 -0.02 0.03 -0.04 7.38 7.29 3h1iC1 PHE 227 HZ -0.00 -0.01 0.02 -0.04 7.32 7.29 3h1iC1 LYS 228 H -0.01 0.58 -0.17 -0.55 8.42 8.26 3h1iC1 LYS 228 HA 0.00 -0.05 0.33 -0.75 4.32 3.85 3h1iC1 LYS 228 HB2 -0.15 0.06 0.04 -0.04 1.87 1.77 3h1iC1 LYS 228 HB3 -0.07 0.11 0.02 -0.04 1.79 1.81 3h1iC1 LYS 228 HG2 0.03 -0.02 -0.11 -0.04 1.46 1.32 3h1iC1 LYS 228 HG3 -0.03 -0.10 0.09 -0.04 1.46 1.38 3h1iC1 LYS 228 HD2 -0.14 -0.00 -0.04 -0.04 1.69 1.47 3h1iC1 LYS 228 HD3 -0.06 0.07 -0.08 -0.04 1.68 1.57 3h1iC1 LYS 228 HE2 0.07 -0.04 -0.16 -0.04 2.99 2.81 3h1iC1 LYS 228 HE3 -0.01 -0.10 -0.04 -0.04 2.99 2.80 3h1iC1 ASP 229 H 0.03 0.57 -0.45 -0.55 8.40 8.01 3h1iC1 ASP 229 HA 0.04 0.00 0.65 -0.75 4.63 4.57 3h1iC1 ASP 229 HB2 0.11 0.23 0.26 -0.04 2.71 3.27 3h1iC1 ASP 229 HB3 0.08 -0.10 0.00 -0.04 2.70 2.65 3h1iC1 ILE 230 H 0.03 0.49 0.04 -0.55 8.25 8.26 3h1iC1 ILE 230 HA 0.02 0.03 0.41 -0.75 4.18 3.89 3h1iC1 ILE 230 HB 0.08 0.14 0.20 -0.04 1.89 2.27 3h1iC1 ILE 230 HG12 -0.02 0.18 0.09 -0.04 1.49 1.70 3h1iC1 ILE 230 HG13 -0.02 -0.03 0.03 -0.04 1.21 1.15 3h1iC1 ILE 230 HG23 0.05 -0.02 -0.05 -0.04 0.93 0.87 3h1iC1 ILE 230 HD13 0.01 -0.01 0.00 -0.04 0.88 0.84 3h1iC1 LEU 231 H 0.05 0.54 -0.12 -0.55 8.37 8.29 3h1iC1 LEU 231 HA 0.02 0.02 0.41 -0.75 4.35 4.05 3h1iC1 LEU 231 HB2 0.03 0.06 0.09 -0.04 1.64 1.77 3h1iC1 LEU 231 HB3 0.00 0.08 0.12 -0.04 1.64 1.80 3h1iC1 LEU 231 HG 0.00 -0.05 -0.05 -0.04 1.64 1.49 3h1iC1 LEU 231 HD13 -0.00 0.00 -0.01 -0.04 0.93 0.88 3h1iC1 LEU 231 HD23 -0.02 0.00 -0.05 -0.04 0.89 0.79 3h1iC1 GLY 232 H -0.00 0.46 -0.16 -0.55 8.43 8.18 3h1iC1 GLY 232 HA2 -0.04 -0.05 0.35 -0.51 4.01 3.75 3h1iC1 GLY 232 HA3 -0.05 0.06 0.33 -0.51 4.01 3.83 3h1iC1 LEU 233 H 0.01 0.23 -0.88 -0.55 8.37 7.18 3h1iC1 LEU 233 HA -0.00 -0.02 0.47 -0.75 4.35 4.05 3h1iC1 LEU 233 HB2 0.01 0.03 0.11 -0.04 1.64 1.75 3h1iC1 LEU 233 HB3 0.02 0.19 0.31 -0.04 1.64 2.12 3h1iC1 LEU 233 HG 0.01 -0.04 -0.23 -0.04 1.64 1.33 3h1iC1 LEU 233 HD13 -0.01 -0.01 0.00 -0.04 0.93 0.87 3h1iC1 LEU 233 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.84 3h1iC1 THR 234 H 0.02 0.54 0.16 -0.55 8.28 8.44 3h1iC1 THR 234 HA 0.02 -0.02 0.28 -0.75 4.39 3.92 3h1iC1 THR 234 HB 0.02 -0.04 -0.01 -0.04 4.32 4.25 3h1iC1 THR 234 HG23 0.02 0.00 0.06 -0.04 1.22 1.26 3h1iC1 LEU 235 H 0.02 0.66 -0.27 -0.55 8.37 8.22 3h1iC1 LEU 235 HA 0.03 -0.01 0.35 -0.75 4.35 3.97 3h1iC1 LEU 235 HB2 0.00 0.04 0.09 -0.04 1.64 1.73 3h1iC1 LEU 235 HB3 0.02 -0.05 -0.02 -0.04 1.64 1.55 3h1iC1 LEU 235 HG 0.01 0.13 -0.00 -0.04 1.64 1.74 3h1iC1 LEU 235 HD13 -0.02 -0.04 -0.19 -0.04 0.93 0.64 3h1iC1 LEU 235 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 3h1iC1 MET 236 H 0.04 0.49 -0.05 -0.55 8.47 8.40 3h1iC1 MET 236 HA 0.17 -0.01 0.50 -0.75 4.52 4.42 3h1iC1 MET 236 HB2 0.13 -0.05 0.15 -0.04 2.15 2.33 3h1iC1 MET 236 HB3 0.05 0.15 0.23 -0.04 2.03 2.42 3h1iC1 MET 236 HG2 0.21 -0.08 -0.08 -0.04 2.63 2.63 3h1iC1 MET 236 HG3 0.29 -0.05 0.02 -0.04 2.56 2.78 3h1iC1 MET 236 HE3 -0.22 -0.01 -0.12 -0.04 2.10 1.72 3h1iC1 LEU 237 H 0.03 0.72 -0.03 -0.55 8.37 8.55 3h1iC1 LEU 237 HA 0.07 -0.08 0.22 -0.75 4.35 3.81 3h1iC1 LEU 237 HB2 0.03 0.16 -0.05 -0.04 1.64 1.73 3h1iC1 LEU 237 HB3 0.03 0.03 -0.04 -0.04 1.64 1.62 3h1iC1 LEU 237 HG 0.06 -0.05 0.06 -0.04 1.64 1.68 3h1iC1 LEU 237 HD13 0.09 -0.01 -0.01 -0.04 0.93 0.96 3h1iC1 LEU 237 HD23 0.02 -0.01 -0.05 -0.04 0.89 0.80 3h1iC1 THR 238 H 0.05 0.40 -0.87 -0.55 8.28 7.32 3h1iC1 THR 238 HA 0.03 -0.01 0.53 -0.75 4.39 4.18 3h1iC1 THR 238 HB 0.07 0.22 0.24 -0.04 4.32 4.80 3h1iC1 THR 238 HG23 0.07 -0.05 -0.08 -0.04 1.22 1.12 3h1iC1 PRO 239 HA 0.15 -0.04 0.39 -0.51 4.44 4.43 3h1iC1 PRO 239 HB2 0.50 -0.00 0.01 -0.04 2.28 2.74 3h1iC1 PRO 239 HB3 0.21 -0.01 0.14 -0.04 2.02 2.32 3h1iC1 PRO 239 HG2 0.36 0.02 0.15 -0.04 2.03 2.52 3h1iC1 PRO 239 HG3 0.29 -0.03 0.14 -0.04 2.03 2.39 3h1iC1 PRO 239 HD2 0.11 0.45 0.31 -0.04 3.68 4.51 3h1iC1 PRO 239 HD3 0.12 0.04 0.28 -0.04 3.65 4.04 3h1iC1 PHE 240 H -0.16 0.44 -0.43 -0.55 8.34 7.64 3h1iC1 PHE 240 HA -1.09 -0.02 0.28 -0.75 4.62 3.03 3h1iC1 PHE 240 HB2 -1.41 -0.02 -0.06 -0.04 3.15 1.62 3h1iC1 PHE 240 HB3 -0.43 0.11 -0.02 -0.04 3.06 2.68 3h1iC1 PHE 240 HD2 -0.27 -0.02 -0.06 -0.04 7.28 6.88 3h1iC1 PHE 240 HE2 0.02 -0.08 -0.19 -0.04 7.38 7.09 3h1iC1 PHE 240 HZ 0.02 0.21 0.05 -0.04 7.32 7.55 3h1iC1 LEU 241 H -0.14 0.55 -0.03 -0.55 8.37 8.21 3h1iC1 LEU 241 HA -0.46 0.00 0.38 -0.75 4.35 3.52 3h1iC1 LEU 241 HB2 -0.07 0.05 0.20 -0.04 1.64 1.79 3h1iC1 LEU 241 HB3 -0.14 -0.07 -0.00 -0.04 1.64 1.38 3h1iC1 LEU 241 HG -0.07 0.43 0.21 -0.04 1.64 2.16 3h1iC1 LEU 241 HD13 -0.09 -0.03 0.01 -0.04 0.93 0.78 3h1iC1 LEU 241 HD23 -0.43 -0.05 -0.03 -0.04 0.89 0.33 3h1iC1 THR 242 H 0.03 0.71 -0.02 -0.55 8.28 8.44 3h1iC1 THR 242 HA 0.28 -0.04 0.33 -0.75 4.39 4.21 3h1iC1 THR 242 HB 0.15 0.08 0.16 -0.04 4.32 4.67 3h1iC1 THR 242 HG23 0.19 -0.02 -0.14 -0.04 1.22 1.21 3h1iC1 LEU 243 H 0.14 1.03 -0.07 -0.55 8.37 8.93 3h1iC1 LEU 243 HA 0.18 -0.07 0.40 -0.75 4.35 4.10 3h1iC1 LEU 243 HB2 0.32 0.05 0.12 -0.04 1.64 2.09 3h1iC1 LEU 243 HB3 0.26 0.17 0.16 -0.04 1.64 2.18 3h1iC1 LEU 243 HG 0.23 0.04 -0.11 -0.04 1.64 1.77 3h1iC1 LEU 243 HD13 0.16 -0.04 0.07 -0.04 0.93 1.08 3h1iC1 LEU 243 HD23 0.41 -0.03 -0.01 -0.04 0.89 1.22 3h1iC1 ALA 244 H -0.06 0.64 -0.09 -0.55 8.40 8.34 3h1iC1 ALA 244 HA 0.07 0.00 0.53 -0.75 4.34 4.18 3h1iC1 ALA 244 HB3 -0.20 -0.03 0.04 -0.04 1.41 1.18 3h1iC1 LEU 245 H -0.03 0.39 -0.30 -0.55 8.37 7.88 3h1iC1 LEU 245 HA -0.01 0.16 1.05 -0.75 4.35 4.79 3h1iC1 LEU 245 HB2 -0.35 0.06 -0.01 -0.04 1.64 1.31 3h1iC1 LEU 245 HB3 -0.59 -0.08 -0.03 -0.04 1.64 0.90 3h1iC1 LEU 245 HG -0.16 0.03 -0.18 -0.04 1.64 1.29 3h1iC1 LEU 245 HD13 -0.18 -0.03 -0.09 -0.04 0.93 0.59 3h1iC1 LEU 245 HD23 0.00 0.00 0.03 -0.04 0.89 0.89 3h1iC1 PHE 246 H 0.11 0.53 0.16 -0.55 8.34 8.60 3h1iC1 PHE 246 HA 0.03 0.17 0.95 -0.75 4.62 5.02 3h1iC1 PHE 246 HB2 0.03 0.10 0.09 -0.04 3.15 3.33 3h1iC1 PHE 246 HB3 0.02 -0.06 0.05 -0.04 3.06 3.04 3h1iC1 PHE 246 HD2 0.02 0.06 0.06 -0.04 7.28 7.38 3h1iC1 PHE 246 HE2 0.01 -0.03 -0.02 -0.04 7.38 7.30 3h1iC1 PHE 246 HZ 0.01 -0.03 -0.03 -0.04 7.32 7.23 3h1iC1 SER 247 H 0.17 0.42 0.04 -0.55 8.46 8.54 3h1iC1 SER 247 HA 0.10 0.12 0.66 -0.75 4.49 4.63 3h1iC1 SER 247 HB2 0.11 0.06 -0.07 -0.04 3.95 4.00 3h1iC1 SER 247 HB3 0.13 0.00 0.15 -0.04 3.93 4.17 3h1iC1 PRO 248 HA 0.14 0.08 0.40 -0.51 4.44 4.55 3h1iC1 PRO 248 HB2 0.15 -0.07 0.07 -0.04 2.28 2.39 3h1iC1 PRO 248 HB3 0.17 0.03 0.07 -0.04 2.02 2.25 3h1iC1 PRO 248 HG2 0.11 0.03 -0.05 -0.04 2.03 2.08 3h1iC1 PRO 248 HG3 0.13 0.24 -0.15 -0.04 2.03 2.21 3h1iC1 PRO 248 HD2 0.09 0.06 -0.06 -0.04 3.68 3.73 3h1iC1 PRO 248 HD3 0.09 0.14 -0.55 -0.04 3.65 3.29 3h1iC1 ASN 249 H 0.11 0.14 -0.17 -0.55 8.53 8.06 3h1iC1 ASN 249 HA 0.17 0.09 0.47 -0.75 4.76 4.74 3h1iC1 ASN 249 HB2 0.04 0.00 0.01 -0.04 2.88 2.90 3h1iC1 ASN 249 HB3 0.07 0.13 0.13 -0.04 2.79 3.08 3h1iC1 ASN 249 HD21 0.19 0.02 -0.03 -0.04 7.03 7.17 3h1iC1 ASN 249 HD22 0.07 0.02 -0.01 -0.04 7.74 7.78 3h1iC1 LEU 250 H 0.12 0.62 -0.58 -0.55 8.37 7.99 3h1iC1 LEU 250 HA 0.07 0.05 0.39 -0.75 4.35 4.10 3h1iC1 LEU 250 HB2 0.09 0.02 0.14 -0.04 1.64 1.85 3h1iC1 LEU 250 HB3 0.11 -0.02 0.18 -0.04 1.64 1.87 3h1iC1 LEU 250 HG 0.04 -0.01 -0.21 -0.04 1.64 1.42 3h1iC1 LEU 250 HD13 0.04 -0.00 0.02 -0.04 0.93 0.95 3h1iC1 LEU 250 HD23 0.05 -0.01 -0.00 -0.04 0.89 0.89 3h1iC1 LEU 251 H 0.15 0.21 0.00 -0.55 8.37 8.18 3h1iC1 LEU 251 HA 0.10 0.08 0.37 -0.75 4.35 4.14 3h1iC1 LEU 251 HB2 0.28 0.06 0.03 -0.04 1.64 1.97 3h1iC1 LEU 251 HB3 0.40 -0.08 0.14 -0.04 1.64 2.07 3h1iC1 LEU 251 HG 0.16 0.03 0.06 -0.04 1.64 1.86 3h1iC1 LEU 251 HD13 0.36 -0.01 0.02 -0.04 0.93 1.26 3h1iC1 LEU 251 HD23 -0.15 -0.00 -0.01 -0.04 0.89 0.68 3h1iC1 GLY 252 H 0.15 0.18 -0.98 -0.55 8.43 7.24 3h1iC1 GLY 252 HA2 0.15 0.04 0.89 -0.51 4.01 4.58 3h1iC1 GLY 252 HA3 0.20 -0.02 0.16 -0.51 4.01 3.84 3h1iC1 ASP 253 H 0.13 0.09 0.16 -0.55 8.40 8.23 3h1iC1 ASP 253 HA 0.10 0.14 0.40 -0.75 4.63 4.51 3h1iC1 ASP 253 HB2 0.10 0.13 0.15 -0.04 2.71 3.04 3h1iC1 ASP 253 HB3 0.20 -0.09 0.10 -0.04 2.70 2.86 3h1iC1 PRO 254 HA 0.16 0.18 0.64 -0.51 4.44 4.91 3h1iC1 PRO 254 HB2 -0.09 -0.00 0.09 -0.04 2.28 2.23 3h1iC1 PRO 254 HB3 -0.09 0.14 0.11 -0.04 2.02 2.14 3h1iC1 PRO 254 HG2 0.04 -0.00 0.01 -0.04 2.03 2.04 3h1iC1 PRO 254 HG3 0.01 0.08 0.08 -0.04 2.03 2.16 3h1iC1 PRO 254 HD2 0.07 0.04 0.25 -0.04 3.68 4.00 3h1iC1 PRO 254 HD3 0.06 0.28 0.24 -0.04 3.65 4.18 3h1iC1 GLU 255 H 0.12 0.20 -0.08 -0.55 8.60 8.30 3h1iC1 GLU 255 HA 0.10 0.13 0.42 -0.75 4.29 4.19 3h1iC1 GLU 255 HB2 0.09 0.08 0.13 -0.04 2.09 2.35 3h1iC1 GLU 255 HB3 0.11 -0.01 -0.00 -0.04 1.99 2.04 3h1iC1 GLU 255 HG2 0.06 0.07 -0.00 -0.04 2.34 2.42 3h1iC1 GLU 255 HG3 0.08 -0.08 0.09 -0.04 2.34 2.39 3h1iC1 ASN 256 H 0.26 0.23 -0.84 -0.55 8.53 7.63 3h1iC1 ASN 256 HA 0.11 -0.14 0.60 -0.75 4.76 4.57 3h1iC1 ASN 256 HB2 0.19 -0.00 -0.02 -0.04 2.88 3.01 3h1iC1 ASN 256 HB3 0.23 0.21 -0.03 -0.04 2.79 3.16 3h1iC1 ASN 256 HD21 -0.25 0.05 0.02 -0.04 7.03 6.81 3h1iC1 ASN 256 HD22 0.04 0.11 -0.00 -0.04 7.74 7.85 3h1iC1 PHE 257 H 0.38 0.52 -0.48 -0.55 8.34 8.20 3h1iC1 PHE 257 HA 0.26 0.15 0.77 -0.75 4.62 5.04 3h1iC1 PHE 257 HB2 0.10 0.26 0.16 -0.04 3.15 3.63 3h1iC1 PHE 257 HB3 0.13 -0.04 0.18 -0.04 3.06 3.29 3h1iC1 PHE 257 HD2 0.12 -0.07 -0.07 -0.04 7.28 7.22 3h1iC1 PHE 257 HE2 0.10 0.01 -0.05 -0.04 7.38 7.39 3h1iC1 PHE 257 HZ 0.09 -0.02 -0.04 -0.04 7.32 7.31 3h1iC1 THR 258 H 0.13 0.09 -0.42 -0.55 8.28 7.52 3h1iC1 THR 258 HA -0.04 0.23 0.95 -0.75 4.39 4.78 3h1iC1 THR 258 HB 0.06 0.04 0.14 -0.04 4.32 4.52 3h1iC1 THR 258 HG23 -0.02 -0.01 -0.03 -0.04 1.22 1.12 3h1iC1 PRO 259 HA -0.49 0.07 0.45 -0.51 4.44 3.96 3h1iC1 PRO 259 HB2 -0.28 0.02 0.06 -0.04 2.28 2.04 3h1iC1 PRO 259 HB3 -0.38 0.03 0.13 -0.04 2.02 1.76 3h1iC1 PRO 259 HG2 -0.52 0.01 0.08 -0.04 2.03 1.56 3h1iC1 PRO 259 HG3 -2.39 0.02 0.07 -0.04 2.03 -0.32 3h1iC1 PRO 259 HD2 -0.26 0.08 0.19 -0.04 3.68 3.64 3h1iC1 PRO 259 HD3 -0.53 0.26 0.01 -0.04 3.65 3.35 3h1iC1 ALA 260 H -0.20 0.54 0.24 -0.55 8.40 8.43 3h1iC1 ALA 260 HA -0.21 -0.03 0.15 -0.75 4.34 3.50 3h1iC1 ALA 260 HB3 -0.72 0.01 -0.08 -0.04 1.41 0.58 3h1iC1 ASN 261 H -0.21 0.20 0.08 -0.55 8.53 8.05 3h1iC1 ASN 261 HA -0.19 0.17 0.73 -0.75 4.76 4.72 3h1iC1 ASN 261 HB2 -0.05 0.20 -0.02 -0.04 2.88 2.97 3h1iC1 ASN 261 HB3 0.07 0.06 0.27 -0.04 2.79 3.16 3h1iC1 ASN 261 HD21 -0.03 -0.02 -0.01 -0.04 7.03 6.93 3h1iC1 ASN 261 HD22 -0.04 0.09 0.00 -0.04 7.74 7.75 3h1iC1 PRO 262 HA -1.21 0.07 0.34 -0.51 4.44 3.13 3h1iC1 PRO 262 HB2 -0.16 0.02 -0.04 -0.04 2.28 2.07 3h1iC1 PRO 262 HB3 -0.26 0.04 0.10 -0.04 2.02 1.86 3h1iC1 PRO 262 HG2 -0.19 0.03 0.03 -0.04 2.03 1.86 3h1iC1 PRO 262 HG3 -0.64 0.05 0.02 -0.04 2.03 1.41 3h1iC1 PRO 262 HD2 -0.19 0.10 0.12 -0.04 3.68 3.67 3h1iC1 PRO 262 HD3 -0.36 0.26 -0.02 -0.04 3.65 3.49 3h1iC1 LEU 263 H 0.01 -0.05 -0.92 -0.55 8.37 6.86 3h1iC1 LEU 263 HA 0.17 0.23 0.91 -0.75 4.35 4.90 3h1iC1 LEU 263 HB2 0.02 0.01 -0.07 -0.04 1.64 1.56 3h1iC1 LEU 263 HB3 0.03 0.01 0.06 -0.04 1.64 1.70 3h1iC1 LEU 263 HG -0.02 -0.10 -0.20 -0.04 1.64 1.28 3h1iC1 LEU 263 HD13 -0.01 0.00 -0.04 -0.04 0.93 0.85 3h1iC1 LEU 263 HD23 0.03 0.03 -0.08 -0.04 0.89 0.83 3h1iC1 VAL 264 H 0.27 0.44 -0.03 -0.55 8.24 8.38 3h1iC1 VAL 264 HA -0.10 0.21 1.02 -0.75 4.13 4.51 3h1iC1 VAL 264 HB -0.01 -0.01 0.11 -0.04 2.12 2.17 3h1iC1 VAL 264 HG13 -0.10 0.00 -0.20 -0.04 0.97 0.64 3h1iC1 VAL 264 HG23 -0.01 -0.01 -0.25 -0.04 0.95 0.64 3h1iC1 THR 265 H -0.53 0.17 0.01 -0.55 8.28 7.38 3h1iC1 THR 265 HA -1.90 0.11 0.63 -0.75 4.39 2.47 3h1iC1 THR 265 HB -0.57 0.00 0.08 -0.04 4.32 3.79 3h1iC1 THR 265 HG23 -0.69 0.02 -0.07 -0.04 1.22 0.44 3h1iC1 PRO 266 HA -0.13 0.07 0.33 -0.51 4.44 4.20 3h1iC1 PRO 266 HB2 -0.06 -0.02 -0.14 -0.04 2.28 2.02 3h1iC1 PRO 266 HB3 -0.03 0.01 -0.01 -0.04 2.02 1.94 3h1iC1 PRO 266 HG2 0.03 -0.05 0.00 -0.04 2.03 1.97 3h1iC1 PRO 266 HG3 -0.04 0.08 0.07 -0.04 2.03 2.09 3h1iC1 PRO 266 HD2 -0.38 0.01 0.14 -0.04 3.68 3.42 3h1iC1 PRO 266 HD3 -0.31 0.43 0.35 -0.04 3.65 4.09 3h1iC1 PRO 267 HA -0.09 0.11 0.44 -0.51 4.44 4.39 3h1iC1 PRO 267 HB2 -0.26 0.02 0.01 -0.04 2.28 2.00 3h1iC1 PRO 267 HB3 -0.14 0.02 0.13 -0.04 2.02 1.99 3h1iC1 PRO 267 HG2 -0.26 -0.05 0.07 -0.04 2.03 1.75 3h1iC1 PRO 267 HG3 -0.20 0.04 0.07 -0.04 2.03 1.90 3h1iC1 PRO 267 HD2 -0.10 0.06 0.17 -0.04 3.68 3.78 3h1iC1 PRO 267 HD3 -0.12 0.15 0.16 -0.04 3.65 3.80 3h1iC1 HIS 268 H -0.02 0.06 -0.32 -0.55 8.41 7.59 3h1iC1 HIS 268 HA -0.01 0.22 0.82 -0.75 4.63 4.91 3h1iC1 HIS 268 HB2 -0.00 -0.06 0.12 -0.04 3.26 3.28 3h1iC1 HIS 268 HB3 0.00 0.04 0.05 -0.04 3.20 3.25 3h1iC1 HIS 268 HD2 -0.01 0.20 -0.19 -0.04 6.97 6.93 3h1iC1 HIS 268 HE1 0.01 -0.02 -0.02 -0.04 7.75 7.67 3h1iC1 ILE 269 H 0.05 0.33 -0.16 -0.55 8.25 7.92 3h1iC1 ILE 269 HA 0.03 0.04 0.71 -0.75 4.18 4.21 3h1iC1 ILE 269 HB -0.05 0.08 -0.12 -0.04 1.89 1.76 3h1iC1 ILE 269 HG12 -0.02 0.02 -0.44 -0.04 1.49 1.01 3h1iC1 ILE 269 HG13 0.05 -0.08 -0.14 -0.04 1.21 1.00 3h1iC1 ILE 269 HG23 -0.00 0.02 0.03 -0.04 0.93 0.93 3h1iC1 ILE 269 HD13 0.05 -0.01 -0.15 -0.04 0.88 0.72 3h1iC1 LYS 270 H 0.00 0.20 0.07 -0.55 8.42 8.14 3h1iC1 LYS 270 HA -0.18 0.23 0.77 -0.75 4.32 4.38 3h1iC1 LYS 270 HB2 -0.01 -0.08 0.00 -0.04 1.87 1.73 3h1iC1 LYS 270 HB3 -0.03 0.08 -0.07 -0.04 1.79 1.73 3h1iC1 LYS 270 HG2 0.00 -0.17 -0.58 -0.04 1.46 0.67 3h1iC1 LYS 270 HG3 -0.02 0.06 -0.16 -0.04 1.46 1.29 3h1iC1 LYS 270 HD2 0.19 0.27 -0.02 -0.04 1.69 2.08 3h1iC1 LYS 270 HD3 0.10 0.27 -0.00 -0.04 1.68 2.01 3h1iC1 LYS 270 HE2 -0.03 0.01 -0.36 -0.04 2.99 2.57 3h1iC1 LYS 270 HE3 0.07 0.02 -0.21 -0.04 2.99 2.83 3h1iC1 PRO 271 HA -0.13 -0.04 0.29 -0.51 4.44 4.05 3h1iC1 PRO 271 HB2 -0.22 0.03 -0.14 -0.04 2.28 1.92 3h1iC1 PRO 271 HB3 -0.15 -0.03 0.02 -0.04 2.02 1.81 3h1iC1 PRO 271 HG2 -1.28 0.05 -0.02 -0.04 2.03 0.74 3h1iC1 PRO 271 HG3 -0.63 0.02 -0.01 -0.04 2.03 1.37 3h1iC1 PRO 271 HD2 -0.54 0.18 0.05 -0.04 3.68 3.33 3h1iC1 PRO 271 HD3 -0.84 0.25 0.14 -0.04 3.65 3.16 3h1iC1 GLU 272 H -0.28 0.07 0.10 -0.55 8.60 7.94 3h1iC1 GLU 272 HA -0.45 0.09 0.44 -0.75 4.29 3.62 3h1iC1 GLU 272 HB2 -1.53 -0.06 -0.00 -0.04 2.09 0.46 3h1iC1 GLU 272 HB3 -1.68 0.00 0.06 -0.04 1.99 0.33 3h1iC1 GLU 272 HG2 -0.91 0.08 0.02 -0.04 2.34 1.49 3h1iC1 GLU 272 HG3 -1.03 0.02 0.06 -0.04 2.34 1.34 3h1iC1 TRP 273 H -0.21 0.21 0.21 -0.55 7.97 7.63 3h1iC1 TRP 273 HA -0.19 0.15 0.36 -0.75 4.62 4.18 3h1iC1 TRP 273 HB2 -0.09 0.02 0.06 -0.04 3.23 3.17 3h1iC1 TRP 273 HB3 -0.14 0.11 0.18 -0.04 3.23 3.34 3h1iC1 TRP 273 HD1 -0.10 0.24 0.15 -0.04 7.22 7.47 3h1iC1 TRP 273 HE1 0.06 -0.00 0.04 -0.04 10.20 10.25 3h1iC1 TRP 273 HE3 -0.04 -0.03 -0.72 -0.04 7.59 6.77 3h1iC1 TRP 273 HZ2 0.12 0.02 -0.03 -0.04 7.44 7.52 3h1iC1 TRP 273 HZ3 0.07 0.01 -0.10 -0.04 7.13 7.07 3h1iC1 TRP 273 HH2 0.31 0.01 -0.13 -0.04 7.19 7.33 3h1iC1 TYR 274 H -2.13 0.11 -0.19 -0.55 8.29 5.53 3h1iC1 TYR 274 HA -0.23 0.10 0.37 -0.75 4.56 4.05 3h1iC1 TYR 274 HB2 -1.16 0.04 0.10 -0.04 3.06 1.99 3h1iC1 TYR 274 HB3 -2.46 0.01 0.06 -0.04 2.98 0.54 3h1iC1 TYR 274 HD2 -1.95 0.02 -0.23 -0.04 7.15 4.95 3h1iC1 TYR 274 HE2 -1.33 0.04 -0.10 -0.04 6.85 5.42 3h1iC1 PHE 275 H -0.39 0.40 -0.71 -0.55 8.34 7.10 3h1iC1 PHE 275 HA -0.32 0.22 0.96 -0.75 4.62 4.73 3h1iC1 PHE 275 HB2 -0.32 0.10 -0.05 -0.04 3.15 2.84 3h1iC1 PHE 275 HB3 -0.24 -0.05 -0.03 -0.04 3.06 2.70 3h1iC1 PHE 275 HD2 -0.18 0.03 -0.04 -0.04 7.28 7.05 3h1iC1 PHE 275 HE2 0.03 0.00 -0.06 -0.04 7.38 7.31 3h1iC1 PHE 275 HZ 0.10 0.23 -0.03 -0.04 7.32 7.57 3h1iC1 LEU 276 H -0.03 0.33 -0.03 -0.55 8.37 8.08 3h1iC1 LEU 276 HA 0.11 0.02 0.30 -0.75 4.35 4.02 3h1iC1 LEU 276 HB2 0.13 0.03 0.16 -0.04 1.64 1.92 3h1iC1 LEU 276 HB3 0.11 0.12 0.06 -0.04 1.64 1.89 3h1iC1 LEU 276 HG 0.03 -0.00 0.05 -0.04 1.64 1.67 3h1iC1 LEU 276 HD13 0.09 0.01 -0.03 -0.04 0.93 0.96 3h1iC1 LEU 276 HD23 0.03 0.00 -0.18 -0.04 0.89 0.70 3h1iC1 PHE 277 H 0.15 0.15 -0.28 -0.55 8.34 7.81 3h1iC1 PHE 277 HA -0.01 0.08 0.05 -0.75 4.62 3.99 3h1iC1 PHE 277 HB2 -0.09 0.01 -0.01 -0.04 3.15 3.02 3h1iC1 PHE 277 HB3 -0.03 0.00 -0.00 -0.04 3.06 2.99 3h1iC1 PHE 277 HD2 -0.09 -0.01 -0.33 -0.04 7.28 6.82 3h1iC1 PHE 277 HE2 0.16 0.04 -0.06 -0.04 7.38 7.48 3h1iC1 PHE 277 HZ 0.17 0.01 -0.03 -0.04 7.32 7.43 3h1iC1 ALA 278 H -1.13 0.27 -0.19 -0.55 8.40 6.81 3h1iC1 ALA 278 HA 0.05 0.02 0.40 -0.75 4.34 4.05 3h1iC1 ALA 278 HB3 -0.36 0.02 0.06 -0.04 1.41 1.08 3h1iC1 TYR 279 H -0.04 0.46 -0.18 -0.55 8.29 7.98 3h1iC1 TYR 279 HA -0.10 -0.05 0.28 -0.75 4.56 3.94 3h1iC1 TYR 279 HB2 -0.09 -0.11 -0.05 -0.04 3.06 2.78 3h1iC1 TYR 279 HB3 -0.07 0.28 0.18 -0.04 2.98 3.32 3h1iC1 TYR 279 HD2 -0.06 -0.05 0.01 -0.04 7.15 7.01 3h1iC1 TYR 279 HE2 -0.05 0.10 0.00 -0.04 6.85 6.87 3h1iC1 ALA 280 H 0.01 0.64 -0.25 -0.55 8.40 8.26 3h1iC1 ALA 280 HA -0.31 0.02 0.29 -0.75 4.34 3.59 3h1iC1 ALA 280 HB3 -0.05 0.02 0.07 -0.04 1.41 1.42 3h1iC1 ILE 281 H 0.01 0.47 -0.01 -0.55 8.25 8.17 3h1iC1 ILE 281 HA 0.00 -0.05 0.33 -0.75 4.18 3.71 3h1iC1 ILE 281 HB 0.07 0.09 0.15 -0.04 1.89 2.16 3h1iC1 ILE 281 HG12 0.07 -0.09 0.05 -0.04 1.49 1.47 3h1iC1 ILE 281 HG13 0.04 0.20 0.12 -0.04 1.21 1.53 3h1iC1 ILE 281 HG23 0.12 -0.01 -0.18 -0.04 0.93 0.82 3h1iC1 ILE 281 HD13 -0.03 -0.02 0.01 -0.04 0.88 0.80 3h1iC1 LEU 282 H -0.03 0.57 -0.14 -0.55 8.37 8.22 3h1iC1 LEU 282 HA -0.04 -0.01 0.40 -0.75 4.35 3.95 3h1iC1 LEU 282 HB2 -0.03 -0.04 0.07 -0.04 1.64 1.60 3h1iC1 LEU 282 HB3 -0.03 0.14 0.04 -0.04 1.64 1.75 3h1iC1 LEU 282 HG -0.03 -0.21 -0.06 -0.04 1.64 1.30 3h1iC1 LEU 282 HD13 -0.03 -0.01 -0.15 -0.04 0.93 0.71 3h1iC1 LEU 282 HD23 -0.01 0.00 -0.34 -0.04 0.89 0.50 3h1iC1 ARG 283 H -0.18 0.50 -0.30 -0.55 8.46 7.93 3h1iC1 ARG 283 HA -0.13 -0.01 0.49 -0.75 4.34 3.94 3h1iC1 ARG 283 HB2 -0.49 0.22 0.13 -0.04 1.90 1.73 3h1iC1 ARG 283 HB3 -0.28 -0.05 -0.07 -0.04 1.80 1.37 3h1iC1 ARG 283 HG2 -0.19 -0.08 0.06 -0.04 1.67 1.41 3h1iC1 ARG 283 HG3 -0.32 -0.05 -0.01 -0.04 1.67 1.25 3h1iC1 ARG 283 HD2 -0.28 -0.06 -0.03 -0.04 3.22 2.81 3h1iC1 ARG 283 HD3 -1.70 -0.00 -0.08 -0.04 3.22 1.40 3h1iC1 SER 284 H -0.09 0.57 -0.22 -0.55 8.46 8.17 3h1iC1 SER 284 HA -0.06 0.07 0.75 -0.75 4.49 4.50 3h1iC1 SER 284 HB2 -0.04 0.17 0.06 -0.04 3.95 4.10 3h1iC1 SER 284 HB3 -0.03 -0.13 0.04 -0.04 3.93 3.77 3h1iC1 ILE 285 H -0.05 0.33 -0.23 -0.55 8.25 7.75 3h1iC1 ILE 285 HA -0.04 0.15 0.78 -0.75 4.18 4.32 3h1iC1 ILE 285 HB -0.04 0.07 0.10 -0.04 1.89 1.97 3h1iC1 ILE 285 HG12 -0.07 -0.04 -0.16 -0.04 1.49 1.18 3h1iC1 ILE 285 HG13 -0.06 -0.01 -0.08 -0.04 1.21 1.01 3h1iC1 ILE 285 HG23 -0.04 -0.09 -0.24 -0.04 0.93 0.52 3h1iC1 ILE 285 HD13 -0.05 0.03 -0.21 -0.04 0.88 0.61 3h1iC1 PRO 286 HA -0.02 0.12 0.53 -0.51 4.44 4.56 3h1iC1 PRO 286 HB2 -0.02 -0.04 0.15 -0.04 2.28 2.33 3h1iC1 PRO 286 HB3 -0.02 0.08 0.04 -0.04 2.02 2.08 3h1iC1 PRO 286 HG2 -0.02 -0.05 0.13 -0.04 2.03 2.05 3h1iC1 PRO 286 HG3 -0.02 0.01 0.08 -0.04 2.03 2.07 3h1iC1 PRO 286 HD2 -0.03 0.02 0.24 -0.04 3.68 3.87 3h1iC1 PRO 286 HD3 -0.03 0.40 -0.03 -0.04 3.65 3.96 3h1iC1 ASN 287 H -0.02 0.61 0.03 -0.55 8.53 8.60 3h1iC1 ASN 287 HA -0.01 0.05 0.41 -0.75 4.76 4.45 3h1iC1 ASN 287 HB2 -0.02 0.26 -0.02 -0.04 2.88 3.06 3h1iC1 ASN 287 HB3 -0.03 -0.10 -0.08 -0.04 2.79 2.54 3h1iC1 ASN 287 HD21 -0.02 0.00 0.02 -0.04 7.03 6.99 3h1iC1 ASN 287 HD22 -0.02 0.11 0.03 -0.04 7.74 7.82 3h1iC1 LYS 288 H -0.01 0.18 0.11 -0.55 8.42 8.14 3h1iC1 LYS 288 HA -0.01 0.13 0.35 -0.75 4.32 4.04 3h1iC1 LYS 288 HB2 0.00 0.02 0.17 -0.04 1.87 2.03 3h1iC1 LYS 288 HB3 -0.01 -0.15 0.19 -0.04 1.79 1.78 3h1iC1 LYS 288 HG2 -0.02 0.03 -0.12 -0.04 1.46 1.32 3h1iC1 LYS 288 HG3 0.01 0.03 0.01 -0.04 1.46 1.48 3h1iC1 LYS 288 HD2 0.02 -0.04 0.01 -0.04 1.69 1.64 3h1iC1 LYS 288 HD3 -0.01 0.04 -0.04 -0.04 1.68 1.63 3h1iC1 LYS 288 HE2 0.02 0.04 -0.19 -0.04 2.99 2.82 3h1iC1 LYS 288 HE3 0.05 -0.01 -0.05 -0.04 2.99 2.94 3h1iC1 LEU 289 H -0.03 0.08 -0.07 -0.55 8.37 7.80 3h1iC1 LEU 289 HA -0.05 0.09 0.36 -0.75 4.35 4.00 3h1iC1 LEU 289 HB2 -0.04 0.04 0.13 -0.04 1.64 1.73 3h1iC1 LEU 289 HB3 -0.04 -0.05 0.06 -0.04 1.64 1.57 3h1iC1 LEU 289 HG -0.05 -0.02 -0.13 -0.04 1.64 1.40 3h1iC1 LEU 289 HD13 -0.07 0.02 0.05 -0.04 0.93 0.89 3h1iC1 LEU 289 HD23 -0.05 0.02 0.03 -0.04 0.89 0.85 3h1iC1 GLY 290 H -0.03 0.03 -0.23 -0.55 8.43 7.65 3h1iC1 GLY 290 HA2 -0.05 0.00 0.36 -0.51 4.01 3.82 3h1iC1 GLY 290 HA3 -0.04 0.05 0.25 -0.51 4.01 3.76 3h1iC1 GLY 291 H -0.04 0.74 -0.00 -0.55 8.43 8.58 3h1iC1 GLY 291 HA2 -0.04 -0.02 0.47 -0.51 4.01 3.91 3h1iC1 GLY 291 HA3 -0.04 0.17 0.42 -0.51 4.01 4.06 3h1iC1 VAL 292 H -0.05 0.59 -0.06 -0.55 8.24 8.18 3h1iC1 VAL 292 HA -0.07 -0.02 0.39 -0.75 4.13 3.68 3h1iC1 VAL 292 HB -0.07 0.06 0.21 -0.04 2.12 2.27 3h1iC1 VAL 292 HG13 -0.13 -0.02 -0.17 -0.04 0.97 0.60 3h1iC1 VAL 292 HG23 -0.09 0.02 0.08 -0.04 0.95 0.92 3h1iC1 LEU 293 H -0.05 0.89 0.08 -0.55 8.37 8.75 3h1iC1 LEU 293 HA -0.02 -0.09 0.40 -0.75 4.35 3.89 3h1iC1 LEU 293 HB2 -0.04 0.07 0.18 -0.04 1.64 1.81 3h1iC1 LEU 293 HB3 -0.02 -0.08 0.01 -0.04 1.64 1.50 3h1iC1 LEU 293 HG -0.05 0.15 0.11 -0.04 1.64 1.81 3h1iC1 LEU 293 HD13 -0.04 -0.04 -0.12 -0.04 0.93 0.69 3h1iC1 LEU 293 HD23 -0.03 -0.03 0.01 -0.04 0.89 0.80 3h1iC1 ALA 294 H -0.04 1.02 -0.02 -0.55 8.40 8.82 3h1iC1 ALA 294 HA -0.07 -0.06 0.33 -0.75 4.34 3.78 3h1iC1 ALA 294 HB3 -0.04 0.02 -0.01 -0.04 1.41 1.33 3h1iC1 LEU 295 H 0.01 0.62 -0.12 -0.55 8.37 8.33 3h1iC1 LEU 295 HA 0.08 -0.04 0.40 -0.75 4.35 4.03 3h1iC1 LEU 295 HB2 -0.02 0.00 0.12 -0.04 1.64 1.70 3h1iC1 LEU 295 HB3 -0.03 0.30 0.25 -0.04 1.64 2.11 3h1iC1 LEU 295 HG -0.04 -0.03 -0.27 -0.04 1.64 1.26 3h1iC1 LEU 295 HD13 -0.07 -0.01 -0.05 -0.04 0.93 0.76 3h1iC1 LEU 295 HD23 -0.11 -0.01 -0.05 -0.04 0.89 0.68 3h1iC1 ALA 296 H 0.01 0.67 0.01 -0.55 8.40 8.54 3h1iC1 ALA 296 HA 0.03 -0.04 0.37 -0.75 4.34 3.94 3h1iC1 ALA 296 HB3 0.02 0.03 0.16 -0.04 1.41 1.58 3h1iC1 ALA 297 H 0.13 0.54 0.01 -0.55 8.40 8.53 3h1iC1 ALA 297 HA 0.18 -0.12 0.31 -0.75 4.34 3.95 3h1iC1 ALA 297 HB3 0.32 0.02 0.06 -0.04 1.41 1.77 3h1iC1 SER 298 H 0.27 0.47 -0.54 -0.55 8.46 8.12 3h1iC1 SER 298 HA 0.32 -0.06 0.36 -0.75 4.49 4.35 3h1iC1 SER 298 HB2 0.17 -0.13 0.10 -0.04 3.95 4.05 3h1iC1 SER 298 HB3 0.24 0.10 0.19 -0.04 3.93 4.42 3h1iC1 VAL 299 H 0.15 0.59 -0.14 -0.55 8.24 8.29 3h1iC1 VAL 299 HA 0.13 0.16 0.98 -0.75 4.13 4.65 3h1iC1 VAL 299 HB 0.10 0.12 0.15 -0.04 2.12 2.45 3h1iC1 VAL 299 HG13 0.02 -0.02 -0.16 -0.04 0.97 0.76 3h1iC1 VAL 299 HG23 0.25 -0.01 -0.06 -0.04 0.95 1.09 3h1iC1 LEU 300 H 0.11 0.64 0.23 -0.55 8.37 8.80 3h1iC1 LEU 300 HA 0.09 -0.01 0.36 -0.75 4.35 4.04 3h1iC1 LEU 300 HB2 0.14 0.04 -0.13 -0.04 1.64 1.64 3h1iC1 LEU 300 HB3 0.20 -0.02 -0.06 -0.04 1.64 1.72 3h1iC1 LEU 300 HG 0.13 -0.00 0.04 -0.04 1.64 1.77 3h1iC1 LEU 300 HD13 0.10 -0.01 -0.08 -0.04 0.93 0.89 3h1iC1 LEU 300 HD23 0.31 -0.01 0.01 -0.04 0.89 1.17 3h1iC1 ILE 301 H 0.10 0.59 -0.48 -0.55 8.25 7.91 3h1iC1 ILE 301 HA 0.11 -0.02 0.33 -0.75 4.18 3.85 3h1iC1 ILE 301 HB -0.01 0.16 0.08 -0.04 1.89 2.08 3h1iC1 ILE 301 HG12 -0.03 -0.09 -0.08 -0.04 1.49 1.25 3h1iC1 ILE 301 HG13 0.02 -0.04 0.04 -0.04 1.21 1.19 3h1iC1 ILE 301 HG23 -0.07 0.00 -0.19 -0.04 0.93 0.63 3h1iC1 ILE 301 HD13 -0.30 0.00 -0.07 -0.04 0.88 0.46 3h1iC1 LEU 302 H 0.01 0.61 -0.29 -0.55 8.37 8.15 3h1iC1 LEU 302 HA 0.14 -0.01 0.36 -0.75 4.35 4.09 3h1iC1 LEU 302 HB2 -0.28 0.05 0.10 -0.04 1.64 1.46 3h1iC1 LEU 302 HB3 -0.27 -0.06 -0.05 -0.04 1.64 1.23 3h1iC1 LEU 302 HG 0.00 0.06 0.11 -0.04 1.64 1.77 3h1iC1 LEU 302 HD13 -0.14 0.00 0.05 -0.04 0.93 0.80 3h1iC1 LEU 302 HD23 0.03 -0.02 0.02 -0.04 0.89 0.88 3h1iC1 PHE 303 H 0.00 0.35 -0.22 -0.55 8.34 7.92 3h1iC1 PHE 303 HA 0.25 -0.03 0.31 -0.75 4.62 4.40 3h1iC1 PHE 303 HB2 0.10 0.21 0.11 -0.04 3.15 3.52 3h1iC1 PHE 303 HB3 0.12 -0.03 0.00 -0.04 3.06 3.10 3h1iC1 PHE 303 HD2 0.08 0.04 0.07 -0.04 7.28 7.43 3h1iC1 PHE 303 HE2 0.01 -0.01 0.04 -0.04 7.38 7.37 3h1iC1 PHE 303 HZ -0.01 -0.03 -0.01 -0.04 7.32 7.23 3h1iC1 LEU 304 H 0.19 0.55 -0.42 -0.55 8.37 8.14 3h1iC1 LEU 304 HA 0.18 0.03 0.54 -0.75 4.35 4.34 3h1iC1 LEU 304 HB2 0.08 0.20 0.14 -0.04 1.64 2.02 3h1iC1 LEU 304 HB3 0.11 -0.05 -0.05 -0.04 1.64 1.61 3h1iC1 LEU 304 HG 0.17 0.00 0.02 -0.04 1.64 1.79 3h1iC1 LEU 304 HD13 0.11 -0.01 -0.02 -0.04 0.93 0.97 3h1iC1 LEU 304 HD23 0.25 -0.02 -0.08 -0.04 0.89 1.01 3h1iC1 ILE 305 H -0.01 0.30 0.03 -0.55 8.25 8.02 3h1iC1 ILE 305 HA -0.24 0.03 0.33 -0.75 4.18 3.54 3h1iC1 ILE 305 HB -0.52 0.10 0.06 -0.04 1.89 1.49 3h1iC1 ILE 305 HG12 0.01 0.10 0.14 -0.04 1.49 1.70 3h1iC1 ILE 305 HG13 0.01 -0.07 0.05 -0.04 1.21 1.15 3h1iC1 ILE 305 HG23 -1.20 -0.02 -0.13 -0.04 0.93 -0.46 3h1iC1 ILE 305 HD13 -0.11 -0.01 0.01 -0.04 0.88 0.73 3h1iC1 PRO 306 HA -0.24 0.00 0.33 -0.51 4.44 4.03 3h1iC1 PRO 306 HB2 -0.87 0.03 0.03 -0.04 2.28 1.43 3h1iC1 PRO 306 HB3 -0.38 0.01 0.14 -0.04 2.02 1.74 3h1iC1 PRO 306 HG2 -0.28 -0.02 0.04 -0.04 2.03 1.73 3h1iC1 PRO 306 HG3 -1.01 -0.01 0.06 -0.04 2.03 1.03 3h1iC1 PRO 306 HD2 -0.19 0.32 -0.59 -0.04 3.68 3.18 3h1iC1 PRO 306 HD3 -0.38 0.10 -0.06 -0.04 3.65 3.26 3h1iC1 PHE 307 H -0.22 1.11 -0.11 -0.55 8.34 8.57 3h1iC1 PHE 307 HA 0.01 0.13 0.87 -0.75 4.62 4.88 3h1iC1 PHE 307 HB2 0.01 0.04 0.08 -0.04 3.15 3.24 3h1iC1 PHE 307 HB3 0.01 -0.07 0.14 -0.04 3.06 3.10 3h1iC1 PHE 307 HD2 0.03 0.03 0.01 -0.04 7.28 7.30 3h1iC1 PHE 307 HE2 0.03 -0.04 -0.01 -0.04 7.38 7.32 3h1iC1 PHE 307 HZ 0.03 -0.07 -0.00 -0.04 7.32 7.24 3h1iC1 LEU 308 H -0.03 0.43 -0.19 -0.55 8.37 8.04 3h1iC1 LEU 308 HA 0.05 0.10 0.71 -0.75 4.35 4.46 3h1iC1 LEU 308 HB2 -0.06 -0.01 0.12 -0.04 1.64 1.65 3h1iC1 LEU 308 HB3 0.02 -0.01 0.19 -0.04 1.64 1.79 3h1iC1 LEU 308 HG 0.05 -0.05 -0.24 -0.04 1.64 1.37 3h1iC1 LEU 308 HD13 0.02 -0.00 0.00 -0.04 0.93 0.91 3h1iC1 LEU 308 HD23 0.07 0.01 -0.13 -0.04 0.89 0.80 3h1iC1 HIS 309 H 0.12 0.32 -0.65 -0.55 8.41 7.65 3h1iC1 HIS 309 HA -0.02 0.04 0.79 -0.75 4.63 4.68 3h1iC1 HIS 309 HB2 0.22 0.04 -0.07 -0.04 3.26 3.42 3h1iC1 HIS 309 HB3 0.05 0.08 0.06 -0.04 3.20 3.35 3h1iC1 HIS 309 HD2 -0.05 -0.02 -0.16 -0.04 6.97 6.70 3h1iC1 HIS 309 HE1 -0.19 0.15 0.11 -0.04 7.75 7.78 3h1iC1 LYS 310 H -0.33 -0.02 0.14 -0.55 8.42 7.65 3h1iC1 LYS 310 HA -0.09 0.27 0.97 -0.75 4.32 4.71 3h1iC1 LYS 310 HB2 -0.08 -0.03 0.03 -0.04 1.87 1.75 3h1iC1 LYS 310 HB3 -0.05 -0.06 0.04 -0.04 1.79 1.68 3h1iC1 LYS 310 HG2 -0.02 -0.03 -0.57 -0.04 1.46 0.81 3h1iC1 LYS 310 HG3 -0.01 0.03 -0.02 -0.04 1.46 1.41 3h1iC1 LYS 310 HD2 -0.01 -0.08 0.02 -0.04 1.69 1.58 3h1iC1 LYS 310 HD3 -0.00 0.12 0.04 -0.04 1.68 1.79 3h1iC1 LYS 310 HE2 0.03 0.12 -0.02 -0.04 2.99 3.08 3h1iC1 LYS 310 HE3 0.01 -0.05 -0.02 -0.04 2.99 2.89 3h1iC1 SER 311 H -0.49 -0.05 0.12 -0.55 8.46 7.49 3h1iC1 SER 311 HA -0.12 0.04 0.41 -0.75 4.49 4.06 3h1iC1 SER 311 HB2 -0.18 -0.07 0.13 -0.04 3.95 3.78 3h1iC1 SER 311 HB3 -0.27 0.26 0.10 -0.04 3.93 3.99 3h1iC1 LYS 312 H -0.05 0.07 0.23 -0.55 8.42 8.12 3h1iC1 LYS 312 HA -0.08 0.10 0.40 -0.75 4.32 3.98 3h1iC1 LYS 312 HB2 -0.04 -0.06 0.14 -0.04 1.87 1.87 3h1iC1 LYS 312 HB3 -0.26 -0.01 0.09 -0.04 1.79 1.57 3h1iC1 LYS 312 HG2 -0.05 0.08 0.13 -0.04 1.46 1.58 3h1iC1 LYS 312 HG3 -0.02 -0.07 0.11 -0.04 1.46 1.44 3h1iC1 LYS 312 HD2 -0.34 -0.02 0.07 -0.04 1.69 1.35 3h1iC1 LYS 312 HD3 -0.12 0.06 0.07 -0.04 1.68 1.65 3h1iC1 LYS 312 HE2 -0.01 -0.12 0.05 -0.04 2.99 2.86 3h1iC1 LYS 312 HE3 -0.08 -0.01 0.04 -0.04 2.99 2.90 3h1iC1 GLN 313 H -0.04 -0.07 -0.36 -0.55 8.47 7.45 3h1iC1 GLN 313 HA -0.01 0.14 0.70 -0.75 4.36 4.44 3h1iC1 GLN 313 HB2 -0.01 0.00 -0.08 -0.04 2.15 2.02 3h1iC1 GLN 313 HB3 0.03 -0.01 0.08 -0.04 2.02 2.07 3h1iC1 GLN 313 HG2 0.08 0.05 -0.05 -0.04 2.40 2.44 3h1iC1 GLN 313 HG3 0.05 -0.12 -0.05 -0.04 2.39 2.23 3h1iC1 GLN 313 HE21 0.16 0.02 0.03 -0.04 6.97 7.14 3h1iC1 GLN 313 HE22 0.17 0.00 0.01 -0.04 7.69 7.83 3h1iC1 ARG 314 H -0.05 0.12 0.18 -0.55 8.46 8.17 3h1iC1 ARG 314 HA 0.04 0.29 0.83 -0.75 4.34 4.75 3h1iC1 ARG 314 HB2 -0.11 0.03 0.03 -0.04 1.90 1.81 3h1iC1 ARG 314 HB3 -0.11 -0.04 0.17 -0.04 1.80 1.78 3h1iC1 ARG 314 HG2 -0.28 0.02 -0.45 -0.04 1.67 0.93 3h1iC1 ARG 314 HG3 -0.40 0.02 0.01 -0.04 1.67 1.26 3h1iC1 ARG 314 HD2 -0.18 -0.02 -0.03 -0.04 3.22 2.95 3h1iC1 ARG 314 HD3 -0.17 -0.11 -0.05 -0.04 3.22 2.84 3h1iC1 THR 315 H -0.16 0.08 0.09 -0.55 8.28 7.74 3h1iC1 THR 315 HA -0.31 0.25 0.77 -0.75 4.39 4.35 3h1iC1 THR 315 HB -0.46 -0.04 0.20 -0.04 4.32 3.98 3h1iC1 THR 315 HG23 0.01 0.04 -0.11 -0.04 1.22 1.12 3h1iC1 MET 316 H -0.85 0.65 0.29 -0.55 8.47 8.02 3h1iC1 MET 316 HA -0.33 0.11 0.50 -0.75 4.52 4.04 3h1iC1 MET 316 HB2 -1.62 0.03 0.09 -0.04 2.15 0.61 3h1iC1 MET 316 HB3 -0.43 -0.11 0.12 -0.04 2.03 1.57 3h1iC1 MET 316 HG2 -0.34 -0.02 -0.02 -0.04 2.63 2.21 3h1iC1 MET 316 HG3 -0.60 0.26 0.17 -0.04 2.56 2.35 3h1iC1 MET 316 HE3 -0.22 0.02 -0.06 -0.04 2.10 1.79 3h1iC1 THR 317 H -0.58 0.12 -0.47 -0.55 8.28 6.80 3h1iC1 THR 317 HA -0.25 0.02 0.29 -0.75 4.39 3.70 3h1iC1 THR 317 HB -1.02 0.05 -0.02 -0.04 4.32 3.28 3h1iC1 THR 317 HG23 -0.16 -0.02 -0.04 -0.04 1.22 0.96 3h1iC1 PHE 318 H -0.23 0.21 -0.42 -0.55 8.34 7.34 3h1iC1 PHE 318 HA -0.02 0.20 0.84 -0.75 4.62 4.89 3h1iC1 PHE 318 HB2 -0.04 0.03 0.06 -0.04 3.15 3.17 3h1iC1 PHE 318 HB3 -0.01 0.01 0.18 -0.04 3.06 3.20 3h1iC1 PHE 318 HD2 -0.01 0.10 -0.13 -0.04 7.28 7.19 3h1iC1 PHE 318 HE2 0.01 0.01 -0.04 -0.04 7.38 7.32 3h1iC1 PHE 318 HZ 0.01 -0.03 -0.03 -0.04 7.32 7.23 3h1iC1 ARG 319 H -0.02 0.59 -0.46 -0.55 8.46 8.01 3h1iC1 ARG 319 HA 0.04 0.21 0.84 -0.75 4.34 4.68 3h1iC1 ARG 319 HB2 -0.09 -0.03 0.18 -0.04 1.90 1.92 3h1iC1 ARG 319 HB3 -0.01 -0.13 0.14 -0.04 1.80 1.75 3h1iC1 ARG 319 HG2 0.01 0.13 -0.15 -0.04 1.67 1.62 3h1iC1 ARG 319 HG3 -0.04 -0.02 -0.37 -0.04 1.67 1.19 3h1iC1 ARG 319 HD2 -0.06 -0.04 -0.02 -0.04 3.22 3.06 3h1iC1 ARG 319 HD3 -0.06 0.01 -0.13 -0.04 3.22 2.99 3h1iC1 PRO 320 HA 0.09 0.06 0.36 -0.51 4.44 4.44 3h1iC1 PRO 320 HB2 0.06 0.03 -0.01 -0.04 2.28 2.32 3h1iC1 PRO 320 HB3 0.07 0.07 0.10 -0.04 2.02 2.21 3h1iC1 PRO 320 HG2 0.04 -0.11 0.05 -0.04 2.03 1.98 3h1iC1 PRO 320 HG3 0.04 0.11 0.04 -0.04 2.03 2.18 3h1iC1 PRO 320 HD2 0.05 0.20 0.08 -0.04 3.68 3.97 3h1iC1 PRO 320 HD3 0.07 0.19 -0.08 -0.04 3.65 3.79 3h1iC1 LEU 321 H 0.05 0.13 -0.32 -0.55 8.37 7.69 3h1iC1 LEU 321 HA 0.07 0.06 0.37 -0.75 4.35 4.10 3h1iC1 LEU 321 HB2 0.05 -0.02 0.09 -0.04 1.64 1.71 3h1iC1 LEU 321 HB3 0.06 0.03 -0.02 -0.04 1.64 1.66 3h1iC1 LEU 321 HG 0.04 0.01 0.03 -0.04 1.64 1.68 3h1iC1 LEU 321 HD13 0.03 0.02 -0.00 -0.04 0.93 0.94 3h1iC1 LEU 321 HD23 0.04 -0.01 -0.04 -0.04 0.89 0.84 3h1iC1 SER 322 H 0.05 0.12 -0.06 -0.55 8.46 8.02 3h1iC1 SER 322 HA 0.21 0.01 0.35 -0.75 4.49 4.30 3h1iC1 SER 322 HB2 -0.03 0.08 0.16 -0.04 3.95 4.12 3h1iC1 SER 322 HB3 -0.01 0.01 0.02 -0.04 3.93 3.91 3h1iC1 GLN 323 H 0.07 0.62 -0.21 -0.55 8.47 8.40 3h1iC1 GLN 323 HA 0.18 -0.05 0.34 -0.75 4.36 4.07 3h1iC1 GLN 323 HB2 0.19 0.18 0.17 -0.04 2.15 2.65 3h1iC1 GLN 323 HB3 0.39 -0.08 -0.02 -0.04 2.02 2.27 3h1iC1 GLN 323 HG2 0.06 -0.10 -0.02 -0.04 2.40 2.31 3h1iC1 GLN 323 HG3 0.03 0.16 -0.19 -0.04 2.39 2.35 3h1iC1 GLN 323 HE21 0.11 -0.01 -0.02 -0.04 6.97 7.02 3h1iC1 GLN 323 HE22 0.06 -0.09 -0.27 -0.04 7.69 7.35 3h1iC1 THR 324 H 0.20 0.66 0.03 -0.55 8.28 8.62 3h1iC1 THR 324 HA 0.31 -0.07 0.37 -0.75 4.39 4.25 3h1iC1 THR 324 HB 0.13 0.21 0.23 -0.04 4.32 4.84 3h1iC1 THR 324 HG23 0.09 -0.02 -0.14 -0.04 1.22 1.10 3h1iC1 LEU 325 H 0.18 0.51 -0.32 -0.55 8.37 8.19 3h1iC1 LEU 325 HA 0.02 -0.04 0.42 -0.75 4.35 3.98 3h1iC1 LEU 325 HB2 0.10 0.02 0.10 -0.04 1.64 1.82 3h1iC1 LEU 325 HB3 0.25 0.08 0.18 -0.04 1.64 2.11 3h1iC1 LEU 325 HG -0.62 0.01 -0.04 -0.04 1.64 0.95 3h1iC1 LEU 325 HD13 -0.11 -0.02 0.05 -0.04 0.93 0.80 3h1iC1 LEU 325 HD23 -0.02 -0.03 -0.10 -0.04 0.89 0.70 3h1iC1 PHE 326 H 0.40 0.80 0.14 -0.55 8.34 9.13 3h1iC1 PHE 326 HA 0.21 -0.02 0.37 -0.75 4.62 4.42 3h1iC1 PHE 326 HB2 0.09 0.01 0.10 -0.04 3.15 3.31 3h1iC1 PHE 326 HB3 -0.15 0.18 0.29 -0.04 3.06 3.34 3h1iC1 PHE 326 HD2 -1.03 0.02 -0.06 -0.04 7.28 6.18 3h1iC1 PHE 326 HE2 -1.08 0.00 -0.02 -0.04 7.38 6.25 3h1iC1 PHE 326 HZ -0.52 -0.04 -0.05 -0.04 7.32 6.66 3h1iC1 TRP 327 H 0.23 0.53 -0.00 -0.55 7.97 8.19 3h1iC1 TRP 327 HA -0.02 -0.08 0.39 -0.75 4.62 4.16 3h1iC1 TRP 327 HB2 0.10 0.15 0.07 -0.04 3.23 3.51 3h1iC1 TRP 327 HB3 0.05 -0.05 0.01 -0.04 3.23 3.20 3h1iC1 TRP 327 HD1 0.15 0.06 -0.21 -0.04 7.22 7.17 3h1iC1 TRP 327 HE1 -0.05 -0.01 -0.04 -0.04 10.20 10.06 3h1iC1 TRP 327 HE3 0.03 -0.05 0.07 -0.04 7.59 7.60 3h1iC1 TRP 327 HZ2 -0.31 -0.01 -0.02 -0.04 7.44 7.07 3h1iC1 TRP 327 HZ3 0.05 -0.01 0.00 -0.04 7.13 7.13 3h1iC1 TRP 327 HH2 -0.09 -0.02 -0.01 -0.04 7.19 7.03 3h1iC1 LEU 328 H 0.18 0.59 -0.29 -0.55 8.37 8.29 3h1iC1 LEU 328 HA 0.07 -0.05 0.48 -0.75 4.35 4.09 3h1iC1 LEU 328 HB2 0.06 0.10 0.20 -0.04 1.64 1.97 3h1iC1 LEU 328 HB3 -0.02 0.22 0.26 -0.04 1.64 2.06 3h1iC1 LEU 328 HG -0.01 -0.05 -0.08 -0.04 1.64 1.46 3h1iC1 LEU 328 HD13 0.03 -0.02 0.04 -0.04 0.93 0.94 3h1iC1 LEU 328 HD23 -0.02 -0.02 -0.00 -0.04 0.89 0.81 3h1iC1 LEU 329 H -0.11 0.70 0.01 -0.55 8.37 8.42 3h1iC1 LEU 329 HA -0.10 -0.03 0.41 -0.75 4.35 3.87 3h1iC1 LEU 329 HB2 -0.28 -0.04 0.09 -0.04 1.64 1.37 3h1iC1 LEU 329 HB3 -0.31 0.27 0.25 -0.04 1.64 1.81 3h1iC1 LEU 329 HG -0.16 -0.05 -0.30 -0.04 1.64 1.09 3h1iC1 LEU 329 HD13 -0.16 -0.02 0.02 -0.04 0.93 0.73 3h1iC1 LEU 329 HD23 -0.13 -0.01 -0.06 -0.04 0.89 0.65 3h1iC1 VAL 330 H -0.29 0.48 -0.04 -0.55 8.24 7.84 3h1iC1 VAL 330 HA -0.23 0.02 0.44 -0.75 4.13 3.61 3h1iC1 VAL 330 HB 0.11 0.12 0.27 -0.04 2.12 2.57 3h1iC1 VAL 330 HG13 0.09 -0.02 -0.09 -0.04 0.97 0.91 3h1iC1 VAL 330 HG23 -0.70 0.02 -0.01 -0.04 0.95 0.22 3h1iC1 ALA 331 H 0.06 0.68 0.04 -0.55 8.40 8.64 3h1iC1 ALA 331 HA 0.01 -0.07 0.34 -0.75 4.34 3.87 3h1iC1 ALA 331 HB3 0.04 0.04 0.12 -0.04 1.41 1.57 3h1iC1 ASN 332 H -0.02 0.42 -0.47 -0.55 8.53 7.91 3h1iC1 ASN 332 HA 0.02 -0.05 0.46 -0.75 4.76 4.44 3h1iC1 ASN 332 HB2 -0.01 0.09 0.09 -0.04 2.88 3.01 3h1iC1 ASN 332 HB3 0.00 0.19 0.21 -0.04 2.79 3.14 3h1iC1 ASN 332 HD21 0.07 0.03 0.25 -0.04 7.03 7.34 3h1iC1 ASN 332 HD22 0.05 -0.05 0.22 -0.04 7.74 7.92 3h1iC1 LEU 333 H -0.05 0.74 -0.05 -0.55 8.37 8.46 3h1iC1 LEU 333 HA -0.08 0.01 0.57 -0.75 4.35 4.10 3h1iC1 LEU 333 HB2 -0.12 0.13 0.25 -0.04 1.64 1.86 3h1iC1 LEU 333 HB3 -0.21 -0.10 0.03 -0.04 1.64 1.31 3h1iC1 LEU 333 HG -0.07 0.18 0.13 -0.04 1.64 1.83 3h1iC1 LEU 333 HD13 -0.18 -0.03 0.03 -0.04 0.93 0.72 3h1iC1 LEU 333 HD23 -0.41 -0.02 0.01 -0.04 0.89 0.44 3h1iC1 LEU 334 H -0.03 0.58 0.04 -0.55 8.37 8.41 3h1iC1 LEU 334 HA -0.01 -0.03 0.32 -0.75 4.35 3.88 3h1iC1 LEU 334 HB2 -0.01 -0.02 0.03 -0.04 1.64 1.59 3h1iC1 LEU 334 HB3 -0.01 0.16 0.12 -0.04 1.64 1.87 3h1iC1 LEU 334 HG -0.04 0.01 -0.08 -0.04 1.64 1.49 3h1iC1 LEU 334 HD13 -0.03 -0.01 0.06 -0.04 0.93 0.90 3h1iC1 LEU 334 HD23 -0.02 -0.01 -0.02 -0.04 0.89 0.80 3h1iC1 ILE 335 H 0.03 0.35 -0.85 -0.55 8.25 7.23 3h1iC1 ILE 335 HA 0.14 0.01 0.52 -0.75 4.18 4.09 3h1iC1 ILE 335 HB 0.08 0.17 0.24 -0.04 1.89 2.33 3h1iC1 ILE 335 HG12 0.01 -0.08 -0.00 -0.04 1.49 1.37 3h1iC1 ILE 335 HG13 0.00 0.09 -0.01 -0.04 1.21 1.25 3h1iC1 ILE 335 HG23 0.24 -0.02 -0.13 -0.04 0.93 0.98 3h1iC1 ILE 335 HD13 0.03 -0.03 -0.05 -0.04 0.88 0.79 3h1iC1 LEU 336 H 0.07 0.59 0.17 -0.55 8.37 8.65 3h1iC1 LEU 336 HA 0.06 -0.04 0.32 -0.75 4.35 3.93 3h1iC1 LEU 336 HB2 0.01 0.06 0.27 -0.04 1.64 1.94 3h1iC1 LEU 336 HB3 0.06 -0.02 0.05 -0.04 1.64 1.68 3h1iC1 LEU 336 HG 0.04 -0.07 0.08 -0.04 1.64 1.66 3h1iC1 LEU 336 HD13 -0.05 0.10 -0.08 -0.04 0.93 0.87 3h1iC1 LEU 336 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 3h1iC1 THR 337 H 0.10 0.70 -0.59 -0.55 8.28 7.93 3h1iC1 THR 337 HA 0.13 -0.11 0.19 -0.75 4.39 3.85 3h1iC1 THR 337 HB 0.09 0.16 0.01 -0.04 4.32 4.54 3h1iC1 THR 337 HG23 0.10 -0.01 -0.19 -0.04 1.22 1.08 3h1iC1 TRP 338 H 0.25 0.43 0.01 -0.55 7.97 8.11 3h1iC1 TRP 338 HA -0.07 -0.04 0.35 -0.75 4.62 4.11 3h1iC1 TRP 338 HB2 -0.06 0.00 0.18 -0.04 3.23 3.32 3h1iC1 TRP 338 HB3 -0.07 0.14 0.25 -0.04 3.23 3.51 3h1iC1 TRP 338 HD1 -0.09 -0.00 -0.04 -0.04 7.22 7.04 3h1iC1 TRP 338 HE1 -0.04 -0.02 -0.07 -0.04 10.20 10.02 3h1iC1 TRP 338 HE3 -0.05 0.03 -0.04 -0.04 7.59 7.48 3h1iC1 TRP 338 HZ2 0.23 -0.02 -0.04 -0.04 7.44 7.56 3h1iC1 TRP 338 HZ3 0.03 -0.03 -0.06 -0.04 7.13 7.03 3h1iC1 TRP 338 HH2 0.17 -0.06 -0.04 -0.04 7.19 7.23 3h1iC1 ILE 339 H 0.06 0.31 -0.22 -0.55 8.25 7.85 3h1iC1 ILE 339 HA -1.06 -0.06 0.24 -0.75 4.18 2.54 3h1iC1 ILE 339 HB -0.13 0.19 0.03 -0.04 1.89 1.93 3h1iC1 ILE 339 HG12 0.06 0.04 -0.14 -0.04 1.49 1.40 3h1iC1 ILE 339 HG13 -0.05 -0.04 -0.14 -0.04 1.21 0.94 3h1iC1 ILE 339 HG23 -0.29 -0.01 -0.18 -0.04 0.93 0.41 3h1iC1 ILE 339 HD13 -0.67 -0.01 -0.05 -0.04 0.88 0.11 3h1iC1 GLY 340 H -0.07 0.44 -0.32 -0.55 8.43 7.93 3h1iC1 GLY 340 HA2 -0.10 -0.04 0.33 -0.51 4.01 3.69 3h1iC1 GLY 340 HA3 0.08 -0.05 0.30 -0.51 4.01 3.83 3h1iC1 SER 341 H -0.08 0.55 -0.13 -0.55 8.46 8.26 3h1iC1 SER 341 HA -0.02 -0.02 0.40 -0.75 4.49 4.10 3h1iC1 SER 341 HB2 -0.01 -0.11 0.12 -0.04 3.95 3.91 3h1iC1 SER 341 HB3 0.02 -0.05 0.09 -0.04 3.93 3.94 3h1iC1 GLN 342 H -0.38 0.90 -0.58 -0.55 8.47 7.86 3h1iC1 GLN 342 HA -0.31 0.12 1.05 -0.75 4.36 4.47 3h1iC1 GLN 342 HB2 -1.41 0.04 0.09 -0.04 2.15 0.83 3h1iC1 GLN 342 HB3 -1.83 -0.10 -0.02 -0.04 2.02 0.02 3h1iC1 GLN 342 HG2 -1.09 0.16 -0.38 -0.04 2.40 1.04 3h1iC1 GLN 342 HG3 -2.13 -0.15 -0.16 -0.04 2.39 -0.09 3h1iC1 GLN 342 HE21 0.07 -0.04 -0.06 -0.04 6.97 6.90 3h1iC1 GLN 342 HE22 0.09 -0.07 -0.13 -0.04 7.69 7.54 3h1iC1 PRO 343 HA -0.02 0.08 0.31 -0.51 4.44 4.30 3h1iC1 PRO 343 HB2 0.05 -0.01 -0.09 -0.04 2.28 2.19 3h1iC1 PRO 343 HB3 -0.01 0.04 0.08 -0.04 2.02 2.09 3h1iC1 PRO 343 HG2 0.23 -0.04 -0.07 -0.04 2.03 2.11 3h1iC1 PRO 343 HG3 0.06 0.01 0.01 -0.04 2.03 2.08 3h1iC1 PRO 343 HD2 0.02 0.05 0.19 -0.04 3.68 3.90 3h1iC1 PRO 343 HD3 -0.07 0.17 0.17 -0.04 3.65 3.87 3h1iC1 VAL 344 H 0.01 0.13 0.10 -0.55 8.24 7.93 3h1iC1 VAL 344 HA -0.01 0.16 0.66 -0.75 4.13 4.19 3h1iC1 VAL 344 HB -0.00 -0.04 0.24 -0.04 2.12 2.27 3h1iC1 VAL 344 HG13 -0.01 -0.01 -0.03 -0.04 0.97 0.88 3h1iC1 VAL 344 HG23 -0.05 0.03 0.03 -0.04 0.95 0.91 3h1iC1 GLU 345 H 0.08 0.41 0.15 -0.55 8.60 8.70 3h1iC1 GLU 345 HA 0.02 0.12 0.53 -0.75 4.29 4.21 3h1iC1 GLU 345 HB2 -0.01 0.03 -0.24 -0.04 2.09 1.84 3h1iC1 GLU 345 HB3 -0.04 -0.06 0.12 -0.04 1.99 1.98 3h1iC1 GLU 345 HG2 0.00 -0.06 0.06 -0.04 2.34 2.30 3h1iC1 GLU 345 HG3 0.01 0.35 -0.05 -0.04 2.34 2.61 3h1iC1 HIS 346 H 0.04 0.20 0.14 -0.55 8.41 8.24 3h1iC1 HIS 346 HA -0.06 0.05 0.64 -0.75 4.63 4.51 3h1iC1 HIS 346 HB2 -0.05 0.02 0.06 -0.04 3.26 3.26 3h1iC1 HIS 346 HB3 -0.07 0.04 0.10 -0.04 3.20 3.22 3h1iC1 HIS 346 HD2 -0.06 0.02 -0.10 -0.04 6.97 6.78 3h1iC1 HIS 346 HE1 -0.01 0.01 0.05 -0.04 7.75 7.76 3h1iC1 PRO 347 HA -1.47 0.03 0.42 -0.51 4.44 2.91 3h1iC1 PRO 347 HB2 -0.20 0.01 -0.01 -0.04 2.28 2.04 3h1iC1 PRO 347 HB3 -0.47 0.05 0.10 -0.04 2.02 1.67 3h1iC1 PRO 347 HG2 -0.21 -0.01 0.10 -0.04 2.03 1.87 3h1iC1 PRO 347 HG3 -0.14 0.08 0.08 -0.04 2.03 2.01 3h1iC1 PRO 347 HD2 -0.73 0.19 0.37 -0.04 3.68 3.47 3h1iC1 PRO 347 HD3 -0.31 0.11 0.19 -0.04 3.65 3.59 3h1iC1 PHE 348 H -0.41 0.22 -0.08 -0.55 8.34 7.52 3h1iC1 PHE 348 HA -0.29 -0.03 0.33 -0.75 4.62 3.88 3h1iC1 PHE 348 HB2 -0.17 0.08 0.00 -0.04 3.15 3.02 3h1iC1 PHE 348 HB3 -0.28 0.19 -0.02 -0.04 3.06 2.91 3h1iC1 PHE 348 HD2 -0.29 0.04 -0.07 -0.04 7.28 6.92 3h1iC1 PHE 348 HE2 -0.09 -0.02 -0.04 -0.04 7.38 7.19 3h1iC1 PHE 348 HZ -0.03 -0.01 -0.04 -0.04 7.32 7.20 3h1iC1 ILE 349 H 0.05 0.69 -0.00 -0.55 8.25 8.44 3h1iC1 ILE 349 HA -0.02 0.11 0.37 -0.75 4.18 3.89 3h1iC1 ILE 349 HB 0.05 -0.12 0.05 -0.04 1.89 1.83 3h1iC1 ILE 349 HG12 -0.00 0.04 0.02 -0.04 1.49 1.51 3h1iC1 ILE 349 HG13 0.03 0.25 0.01 -0.04 1.21 1.47 3h1iC1 ILE 349 HG23 -0.00 0.01 -0.09 -0.04 0.93 0.81 3h1iC1 ILE 349 HD13 0.01 0.02 -0.19 -0.04 0.88 0.68 3h1iC1 ILE 350 H 0.05 0.26 0.10 -0.55 8.25 8.11 3h1iC1 ILE 350 HA 0.03 0.07 0.48 -0.75 4.18 4.01 3h1iC1 ILE 350 HB 0.10 -0.01 0.12 -0.04 1.89 2.07 3h1iC1 ILE 350 HG12 0.07 -0.01 -0.02 -0.04 1.49 1.50 3h1iC1 ILE 350 HG13 0.05 -0.01 -0.24 -0.04 1.21 0.96 3h1iC1 ILE 350 HG23 0.04 0.06 0.11 -0.04 0.93 1.10 3h1iC1 ILE 350 HD13 0.03 -0.00 0.04 -0.04 0.88 0.91 3h1iC1 ILE 351 H 0.01 0.33 -0.24 -0.55 8.25 7.80 3h1iC1 ILE 351 HA 0.07 -0.02 0.27 -0.75 4.18 3.74 3h1iC1 ILE 351 HB 0.06 0.17 -0.06 -0.04 1.89 2.03 3h1iC1 ILE 351 HG12 0.08 -0.02 -0.05 -0.04 1.49 1.47 3h1iC1 ILE 351 HG13 0.02 0.01 -0.35 -0.04 1.21 0.84 3h1iC1 ILE 351 HG23 0.27 -0.01 -0.08 -0.04 0.93 1.07 3h1iC1 ILE 351 HD13 0.29 0.00 -0.08 -0.04 0.88 1.05 3h1iC1 GLY 352 H -0.00 0.56 -0.46 -0.55 8.43 7.98 3h1iC1 GLY 352 HA2 -0.00 -0.05 0.39 -0.51 4.01 3.83 3h1iC1 GLY 352 HA3 -0.05 0.15 0.30 -0.51 4.01 3.90 3h1iC1 GLN 353 H -0.00 0.64 0.17 -0.55 8.47 8.73 3h1iC1 GLN 353 HA -0.00 0.00 0.34 -0.75 4.36 3.94 3h1iC1 GLN 353 HB2 0.01 0.03 0.19 -0.04 2.15 2.35 3h1iC1 GLN 353 HB3 0.00 -0.07 0.06 -0.04 2.02 1.97 3h1iC1 GLN 353 HG2 -0.01 0.14 0.15 -0.04 2.40 2.63 3h1iC1 GLN 353 HG3 -0.01 0.13 0.19 -0.04 2.39 2.65 3h1iC1 GLN 353 HE21 -0.00 -0.09 0.03 -0.04 6.97 6.87 3h1iC1 GLN 353 HE22 -0.01 0.13 0.09 -0.04 7.69 7.86 3h1iC1 MET 354 H 0.03 0.53 -0.55 -0.55 8.47 7.94 3h1iC1 MET 354 HA 0.04 0.00 0.48 -0.75 4.52 4.29 3h1iC1 MET 354 HB2 0.05 0.19 0.17 -0.04 2.15 2.52 3h1iC1 MET 354 HB3 0.05 -0.07 0.01 -0.04 2.03 1.97 3h1iC1 MET 354 HG2 0.03 0.08 -0.03 -0.04 2.63 2.67 3h1iC1 MET 354 HG3 0.04 -0.05 -0.04 -0.04 2.56 2.47 3h1iC1 MET 354 HE3 0.02 0.00 -0.07 -0.04 2.10 2.01 3h1iC1 ALA 355 H 0.06 0.58 0.19 -0.55 8.40 8.68 3h1iC1 ALA 355 HA 0.07 -0.05 0.41 -0.75 4.34 4.02 3h1iC1 ALA 355 HB3 0.07 0.04 0.18 -0.04 1.41 1.66 3h1iC1 SER 356 H 0.07 0.56 -0.48 -0.55 8.46 8.06 3h1iC1 SER 356 HA 0.20 -0.00 0.51 -0.75 4.49 4.44 3h1iC1 SER 356 HB2 0.05 0.18 0.03 -0.04 3.95 4.17 3h1iC1 SER 356 HB3 0.11 -0.06 0.01 -0.04 3.93 3.95 3h1iC1 LEU 357 H 0.07 0.52 0.03 -0.55 8.37 8.45 3h1iC1 LEU 357 HA 0.07 -0.04 0.45 -0.75 4.35 4.09 3h1iC1 LEU 357 HB2 0.03 0.18 0.28 -0.04 1.64 2.09 3h1iC1 LEU 357 HB3 0.05 -0.00 0.17 -0.04 1.64 1.81 3h1iC1 LEU 357 HG 0.03 -0.06 -0.01 -0.04 1.64 1.56 3h1iC1 LEU 357 HD13 0.01 -0.01 0.06 -0.04 0.93 0.95 3h1iC1 LEU 357 HD23 0.01 -0.01 0.01 -0.04 0.89 0.85 3h1iC1 SER 358 H 0.09 0.91 -0.09 -0.55 8.46 8.82 3h1iC1 SER 358 HA 0.04 -0.07 0.27 -0.75 4.49 3.98 3h1iC1 SER 358 HB2 0.06 -0.05 -0.04 -0.04 3.95 3.87 3h1iC1 SER 358 HB3 0.09 0.41 0.33 -0.04 3.93 4.72 3h1iC1 TYR 359 H 0.22 0.96 0.08 -0.55 8.29 9.00 3h1iC1 TYR 359 HA -0.08 -0.04 0.40 -0.75 4.56 4.09 3h1iC1 TYR 359 HB2 0.01 0.08 0.20 -0.04 3.06 3.31 3h1iC1 TYR 359 HB3 0.16 0.08 0.28 -0.04 2.98 3.46 3h1iC1 TYR 359 HD2 -0.28 -0.02 0.04 -0.04 7.15 6.85 3h1iC1 TYR 359 HE2 -0.43 -0.00 0.03 -0.04 6.85 6.40 3h1iC1 PHE 360 H 0.55 0.43 0.00 -0.55 8.34 8.76 3h1iC1 PHE 360 HA -0.28 -0.02 0.32 -0.75 4.62 3.89 3h1iC1 PHE 360 HB2 0.04 0.17 0.13 -0.04 3.15 3.44 3h1iC1 PHE 360 HB3 -0.01 -0.06 -0.01 -0.04 3.06 2.94 3h1iC1 PHE 360 HD2 0.16 0.11 0.07 -0.04 7.28 7.57 3h1iC1 PHE 360 HE2 0.17 -0.03 -0.05 -0.04 7.38 7.42 3h1iC1 PHE 360 HZ 0.17 0.12 -0.18 -0.04 7.32 7.39 3h1iC1 THR 361 H 0.08 0.57 -0.32 -0.55 8.28 8.06 3h1iC1 THR 361 HA 0.02 -0.01 0.49 -0.75 4.39 4.13 3h1iC1 THR 361 HB -0.01 0.07 0.11 -0.04 4.32 4.45 3h1iC1 THR 361 HG23 -0.00 -0.06 0.01 -0.04 1.22 1.13 3h1iC1 ILE 362 H -0.13 0.77 0.13 -0.55 8.25 8.48 3h1iC1 ILE 362 HA -0.25 -0.12 0.48 -0.75 4.18 3.54 3h1iC1 ILE 362 HB -0.30 0.15 0.19 -0.04 1.89 1.88 3h1iC1 ILE 362 HG12 -0.17 -0.12 0.06 -0.04 1.49 1.22 3h1iC1 ILE 362 HG13 -0.11 0.43 0.13 -0.04 1.21 1.61 3h1iC1 ILE 362 HG23 -0.72 -0.02 -0.08 -0.04 0.93 0.07 3h1iC1 ILE 362 HD13 -0.13 -0.02 -0.08 -0.04 0.88 0.62 3h1iC1 LEU 363 H -0.29 0.43 -0.18 -0.55 8.37 7.78 3h1iC1 LEU 363 HA 0.03 0.05 0.51 -0.75 4.35 4.19 3h1iC1 LEU 363 HB2 -0.39 0.06 0.08 -0.04 1.64 1.35 3h1iC1 LEU 363 HB3 -0.18 -0.01 -0.06 -0.04 1.64 1.36 3h1iC1 LEU 363 HG -0.43 -0.00 -0.02 -0.04 1.64 1.15 3h1iC1 LEU 363 HD13 -0.77 -0.01 -0.08 -0.04 0.93 0.02 3h1iC1 LEU 363 HD23 0.02 -0.01 -0.03 -0.04 0.89 0.83 3h1iC1 LEU 364 H -0.08 0.89 0.16 -0.55 8.37 8.79 3h1iC1 LEU 364 HA 0.01 0.12 0.64 -0.75 4.35 4.36 3h1iC1 LEU 364 HB2 0.04 0.02 0.09 -0.04 1.64 1.76 3h1iC1 LEU 364 HB3 0.05 -0.06 0.05 -0.04 1.64 1.64 3h1iC1 LEU 364 HG 0.02 0.08 0.11 -0.04 1.64 1.81 3h1iC1 LEU 364 HD13 0.18 -0.03 -0.02 -0.04 0.93 1.02 3h1iC1 LEU 364 HD23 0.04 -0.01 -0.06 -0.04 0.89 0.83 3h1iC1 ILE 365 H -0.02 0.61 -0.03 -0.55 8.25 8.26 3h1iC1 ILE 365 HA 0.02 0.26 1.21 -0.75 4.18 4.91 3h1iC1 ILE 365 HB -0.00 0.02 0.16 -0.04 1.89 2.03 3h1iC1 ILE 365 HG12 0.02 -0.01 -0.04 -0.04 1.49 1.41 3h1iC1 ILE 365 HG13 0.02 0.03 -0.51 -0.04 1.21 0.71 3h1iC1 ILE 365 HG23 0.00 -0.02 -0.21 -0.04 0.93 0.66 3h1iC1 ILE 365 HD13 0.02 -0.02 -0.05 -0.04 0.88 0.80 3h1iC1 LEU 366 H -0.05 0.47 0.19 -0.55 8.37 8.44 3h1iC1 LEU 366 HA -0.01 -0.01 0.44 -0.75 4.35 4.02 3h1iC1 LEU 366 HB2 -0.19 0.08 0.21 -0.04 1.64 1.70 3h1iC1 LEU 366 HB3 -0.06 -0.06 0.07 -0.04 1.64 1.55 3h1iC1 LEU 366 HG -0.09 0.09 -0.17 -0.04 1.64 1.43 3h1iC1 LEU 366 HD13 -0.08 -0.00 -0.01 -0.04 0.93 0.80 3h1iC1 LEU 366 HD23 -0.02 -0.03 -0.04 -0.04 0.89 0.75 3h1iC1 PHE 367 H -0.05 0.66 0.07 -0.55 8.34 8.47 3h1iC1 PHE 367 HA -0.02 -0.11 0.34 -0.75 4.62 4.07 3h1iC1 PHE 367 HB2 -0.06 0.30 0.24 -0.04 3.15 3.58 3h1iC1 PHE 367 HB3 -0.05 0.10 0.01 -0.04 3.06 3.08 3h1iC1 PHE 367 HD2 -0.05 -0.02 0.04 -0.04 7.28 7.21 3h1iC1 PHE 367 HE2 -0.01 -0.02 0.00 -0.04 7.38 7.31 3h1iC1 PHE 367 HZ 0.09 -0.10 -0.02 -0.04 7.32 7.25 3h1iC1 PRO 368 HA 0.01 -0.00 0.41 -0.51 4.44 4.35 3h1iC1 PRO 368 HB2 0.02 -0.03 -0.02 -0.04 2.28 2.21 3h1iC1 PRO 368 HB3 0.03 0.08 0.02 -0.04 2.02 2.11 3h1iC1 PRO 368 HG2 0.04 0.11 0.03 -0.04 2.03 2.16 3h1iC1 PRO 368 HG3 0.04 0.25 -0.04 -0.04 2.03 2.24 3h1iC1 PRO 368 HD2 0.07 -0.16 -1.06 -0.04 3.68 2.50 3h1iC1 PRO 368 HD3 0.11 0.31 -0.18 -0.04 3.65 3.85 3h1iC1 THR 369 H 0.05 0.53 -0.33 -0.55 8.28 7.98 3h1iC1 THR 369 HA 0.02 0.01 0.57 -0.75 4.39 4.23 3h1iC1 THR 369 HB 0.02 0.03 0.26 -0.04 4.32 4.59 3h1iC1 THR 369 HG23 0.01 -0.04 -0.08 -0.04 1.22 1.08 3h1iC1 ILE 370 H 0.05 0.93 0.21 -0.55 8.25 8.89 3h1iC1 ILE 370 HA 0.03 -0.04 0.35 -0.75 4.18 3.77 3h1iC1 ILE 370 HB 0.12 0.12 -0.01 -0.04 1.89 2.07 3h1iC1 ILE 370 HG12 0.03 0.06 0.08 -0.04 1.49 1.62 3h1iC1 ILE 370 HG13 0.04 -0.02 -0.06 -0.04 1.21 1.13 3h1iC1 ILE 370 HG23 0.07 -0.02 -0.19 -0.04 0.93 0.74 3h1iC1 ILE 370 HD13 0.03 -0.02 -0.01 -0.04 0.88 0.84 3h1iC1 GLY 371 H 0.04 0.42 -0.75 -0.55 8.43 7.59 3h1iC1 GLY 371 HA2 -0.02 -0.06 0.40 -0.51 4.01 3.82 3h1iC1 GLY 371 HA3 -0.04 0.10 0.26 -0.51 4.01 3.82 3h1iC1 THR 372 H -0.00 0.59 0.05 -0.55 8.28 8.37 3h1iC1 THR 372 HA -0.01 0.04 0.38 -0.75 4.39 4.04 3h1iC1 THR 372 HB 0.01 0.03 0.25 -0.04 4.32 4.56 3h1iC1 THR 372 HG23 0.01 -0.02 -0.11 -0.04 1.22 1.06 3h1iC1 LEU 373 H 0.01 0.53 -0.01 -0.55 8.37 8.35 3h1iC1 LEU 373 HA 0.01 -0.02 0.33 -0.75 4.35 3.92 3h1iC1 LEU 373 HB2 0.01 0.02 0.07 -0.04 1.64 1.70 3h1iC1 LEU 373 HB3 0.02 0.11 0.09 -0.04 1.64 1.81 3h1iC1 LEU 373 HG 0.01 -0.01 -0.15 -0.04 1.64 1.45 3h1iC1 LEU 373 HD13 0.01 -0.01 0.03 -0.04 0.93 0.91 3h1iC1 LEU 373 HD23 0.01 -0.01 -0.03 -0.04 0.89 0.83 3h1iC1 GLU 374 H 0.01 0.49 -0.52 -0.55 8.60 8.04 3h1iC1 GLU 374 HA 0.02 -0.07 0.40 -0.75 4.29 3.88 3h1iC1 GLU 374 HB2 0.00 0.34 0.32 -0.04 2.09 2.70 3h1iC1 GLU 374 HB3 0.01 -0.08 0.04 -0.04 1.99 1.92 3h1iC1 GLU 374 HG2 0.02 -0.07 0.11 -0.04 2.34 2.36 3h1iC1 GLU 374 HG3 0.02 0.00 0.11 -0.04 2.34 2.43 3h1iC1 ASN 375 H 0.02 0.68 0.03 -0.55 8.53 8.71 3h1iC1 ASN 375 HA 0.08 0.01 0.62 -0.75 4.76 4.72 3h1iC1 ASN 375 HB2 0.05 0.13 0.12 -0.04 2.88 3.13 3h1iC1 ASN 375 HB3 0.12 -0.11 0.18 -0.04 2.79 2.93 3h1iC1 ASN 375 HD21 -0.04 0.04 -0.17 -0.04 7.03 6.82 3h1iC1 ASN 375 HD22 -0.00 0.00 0.13 -0.04 7.74 7.83 3h1iC1 LYS 376 H 0.02 0.47 -0.11 -0.55 8.42 8.25 3h1iC1 LYS 376 HA 0.02 0.16 0.49 -0.75 4.32 4.24 3h1iC1 LYS 376 HB2 0.01 0.12 0.12 -0.04 1.87 2.09 3h1iC1 LYS 376 HB3 0.01 -0.04 0.05 -0.04 1.79 1.76 3h1iC1 LYS 376 HG2 0.02 0.08 -0.02 -0.04 1.46 1.49 3h1iC1 LYS 376 HG3 0.02 0.03 -0.04 -0.04 1.46 1.44 3h1iC1 LYS 376 HD2 0.01 -0.03 -0.03 -0.04 1.69 1.60 3h1iC1 LYS 376 HD3 0.01 -0.02 -0.01 -0.04 1.68 1.61 3h1iC1 LYS 376 HE2 0.01 -0.01 -0.07 -0.04 2.99 2.89 3h1iC1 LYS 376 HE3 0.01 -0.04 -0.03 -0.04 2.99 2.89 3h1iC1 MET 377 H 0.01 0.37 -0.23 -0.55 8.47 8.07 3h1iC1 MET 377 HA -0.01 0.08 0.59 -0.75 4.52 4.42 3h1iC1 MET 377 HB2 0.01 0.14 0.16 -0.04 2.15 2.41 3h1iC1 MET 377 HB3 -0.00 -0.05 0.08 -0.04 2.03 2.01 3h1iC1 MET 377 HG2 0.00 -0.03 0.01 -0.04 2.63 2.58 3h1iC1 MET 377 HG3 0.01 0.12 -0.00 -0.04 2.56 2.64 3h1iC1 MET 377 HE3 0.01 -0.01 0.01 -0.04 2.10 2.06 3h1iC1 LEU 378 H 0.00 0.21 -0.26 -0.55 8.37 7.77 3h1iC1 LEU 378 HA -0.06 0.09 0.66 -0.75 4.35 4.28 3h1iC1 LEU 378 HB2 0.04 0.02 0.20 -0.04 1.64 1.86 3h1iC1 LEU 378 HB3 -0.10 -0.04 0.10 -0.04 1.64 1.56 3h1iC1 LEU 378 HG 0.02 0.07 0.06 -0.04 1.64 1.75 3h1iC1 LEU 378 HD13 0.10 -0.01 0.04 -0.04 0.93 1.01 3h1iC1 LEU 378 HD23 -0.03 0.00 0.05 -0.04 0.89 0.88 3h1iC1 ASN 379 H -0.04 0.06 -0.53 -0.55 8.53 7.47 3h1iC1 ASN 379 HA -0.05 0.12 0.28 -0.75 4.76 4.36 3h1iC1 ASN 379 HB2 -0.10 -0.01 -0.38 -0.04 2.88 2.35 3h1iC1 ASN 379 HB3 -0.19 0.12 0.39 -0.04 2.79 3.07 3h1iC1 ASN 379 HD21 -0.05 -0.07 0.07 -0.04 7.03 6.94 3h1iC1 ASN 379 HD22 -0.11 0.01 0.07 -0.04 7.74 7.67 3h1iC1 TYR 380 H 0.04 0.43 0.02 -0.55 8.29 8.22 3h1iC1 TYR 380 HA -0.01 0.17 0.44 -0.75 4.56 4.42 3h1iC1 TYR 380 HB2 -0.01 0.00 0.12 -0.04 3.06 3.13 3h1iC1 TYR 380 HB3 -0.01 -0.00 0.08 -0.04 2.98 3.01 3h1iC1 TYR 380 HD2 -0.00 -0.01 0.01 -0.04 7.15 7.10 3h1iC1 TYR 380 HE2 -0.00 -0.02 -0.01 -0.04 6.85 6.78