============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 82 rings ring int. center anis. iso. TYR 2 0.840 20.501 60.490 30.872 -99.200 -91.000 PHE 6 1.000 23.463 66.310 38.225 -99.200 -91.000 PHE 34 1.000 42.036 60.284 36.778 -99.200 -91.000 TRP 40 1.040 28.663 61.688 40.214 -99.200 -91.000 TRP6 40 1.020 27.827 59.585 39.532 -99.200 -91.000 PHE 41 1.000 27.188 70.216 35.702 -99.200 -91.000 TYR 50 0.840 53.345 75.706 29.789 -99.200 -91.000 PHE 60 1.000 55.803 87.286 44.363 -99.200 -91.000 TRP 65 1.040 44.647 92.783 44.312 -99.200 -91.000 TRP6 65 1.020 42.989 91.111 44.081 -99.200 -91.000 PHE 66 1.000 42.967 86.574 48.493 -99.200 -91.000 PHE 67 1.000 48.842 85.869 51.053 -99.200 -91.000 TRP 72 1.040 43.448 98.536 55.088 -99.200 -91.000 TRP6 72 1.020 44.611 100.283 56.174 -99.200 -91.000 PHE 73 1.000 39.769 93.720 53.799 -99.200 -91.000 TRP 74 1.040 43.995 89.513 60.897 -99.200 -91.000 TRP6 74 1.020 43.973 87.904 59.175 -99.200 -91.000 TYR 75 0.840 45.909 99.769 61.079 -99.200 -91.000 TRP 79 1.040 47.138 93.861 64.433 -99.200 -91.000 TRP6 79 1.020 48.166 93.139 62.429 -99.200 -91.000 PHE 84 1.000 40.322 88.661 58.744 -99.200 -91.000 PHE 89 1.000 30.800 89.085 54.654 -99.200 -91.000 PHE 90 1.000 29.549 95.270 57.946 -99.200 -91.000 PHE 91 1.000 37.543 94.153 58.870 -99.200 -91.000 TYR 100 0.840 47.920 112.472 49.833 -99.200 -91.000 PHE 104 1.000 52.700 106.490 40.677 -99.200 -91.000 TRP 114 1.040 43.208 101.501 46.084 -99.200 -91.000 TRP6 114 1.020 43.746 102.373 43.958 -99.200 -91.000 PHE 119 1.000 53.950 97.199 40.083 -99.200 -91.000 PHE 120 1.000 52.854 93.396 44.661 -99.200 -91.000 PHE 122 1.000 48.853 97.642 34.571 -99.200 -91.000 TRP 126 1.040 47.535 94.665 31.561 -99.200 -91.000 TRP6 126 1.020 46.644 94.693 29.367 -99.200 -91.000 TRP 128 1.040 45.100 84.081 33.640 -99.200 -91.000 TRP6 128 1.020 45.957 82.324 34.977 -99.200 -91.000 TRP 129 1.040 45.257 89.425 26.895 -99.200 -91.000 TRP6 129 1.020 47.004 90.106 25.456 -99.200 -91.000 TYR 133 0.840 48.861 86.096 21.053 -99.200 -91.000 HIS 144 0.900 38.919 82.695 17.371 -99.200 -91.000 TRP 147 1.040 41.972 88.605 19.205 -99.200 -91.000 TRP6 147 1.020 43.904 89.721 20.024 -99.200 -91.000 PHE 149 1.000 41.694 87.766 30.655 -99.200 -91.000 TRP 154 1.040 36.723 98.851 27.029 -99.200 -91.000 TRP6 154 1.020 38.177 100.700 26.750 -99.200 -91.000 TRP 156 1.040 41.085 95.217 36.240 -99.200 -91.000 TRP6 156 1.020 43.170 95.270 35.122 -99.200 -91.000 PHE 161 1.000 46.816 102.738 34.341 -99.200 -91.000 TRP 170 1.040 46.685 107.471 41.541 -99.200 -91.000 TRP6 170 1.020 46.475 106.314 39.483 -99.200 -91.000 TYR 176 0.840 41.944 96.835 45.446 -99.200 -91.000 PHE 179 1.000 28.138 94.036 53.188 -99.200 -91.000 HIS 181 0.900 32.558 95.197 44.849 -99.200 -91.000 TRP 184 1.040 33.821 103.579 43.392 -99.200 -91.000 TRP6 184 1.020 33.297 102.954 41.176 -99.200 -91.000 PHE 188 1.000 30.808 105.969 37.946 -99.200 -91.000 HIS 192 0.900 29.625 109.945 37.352 -99.200 -91.000 PHE 196 1.000 18.161 101.621 36.074 -99.200 -91.000 TYR 197 0.840 17.281 108.978 33.294 -99.200 -91.000 PHE 200 1.000 27.996 104.258 24.504 -99.200 -91.000 HIS 201 0.900 23.867 100.686 33.604 -99.200 -91.000 PHE 207 1.000 25.135 94.154 23.385 -99.200 -91.000 TYR 209 0.840 18.488 92.230 31.719 -99.200 -91.000 PHE 215 1.000 26.829 78.890 27.706 -99.200 -91.000 HIS 218 0.900 25.327 76.425 21.850 -99.200 -91.000 PHE 228 1.000 19.038 63.108 17.092 -99.200 -91.000 PHE 250 1.000 13.174 74.454 19.198 -99.200 -91.000 TRP 251 1.040 16.982 77.246 18.185 -99.200 -91.000 TRP6 251 1.020 15.758 78.402 19.846 -99.200 -91.000 TRP 253 1.040 10.616 73.790 10.901 -99.200 -91.000 TRP6 253 1.020 10.321 71.496 11.378 -99.200 -91.000 PHE 257 1.000 16.921 84.712 13.477 -99.200 -91.000 HIS 265 0.900 29.770 76.971 19.254 -99.200 -91.000 TRP 267 1.040 24.294 84.387 15.713 -99.200 -91.000 TRP6 267 1.020 23.281 86.520 15.685 -99.200 -91.000 TRP 270 1.040 31.471 88.995 17.457 -99.200 -91.000 TRP6 270 1.020 32.810 90.907 17.850 -99.200 -91.000 TRP 293 1.040 25.734 109.150 31.905 -99.200 -91.000 TRP6 293 1.020 26.216 109.160 29.590 -99.200 -91.000 TYR 294 0.840 16.575 114.508 34.135 -99.200 -91.000 TRP 296 1.040 24.765 112.985 26.454 -99.200 -91.000 TRP6 296 1.020 23.543 111.246 25.417 -99.200 -91.000 HIS 300 0.900 18.793 113.177 22.862 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1fnpM1 GLU 1 HA 0.04 -0.08 0.15 -0.75 4.29 3.64 1fnpM1 GLU 1 HB2 0.02 -0.05 0.12 -0.04 2.09 2.14 1fnpM1 GLU 1 HB3 0.01 -0.03 0.06 -0.04 1.99 1.99 1fnpM1 GLU 1 HG2 -0.01 -0.05 -0.08 -0.04 2.34 2.15 1fnpM1 GLU 1 HG3 -0.03 0.18 -0.14 -0.04 2.34 2.30 1fnpM1 TYR 2 H 0.14 0.06 0.10 -0.55 8.29 8.05 1fnpM1 TYR 2 HA -0.01 0.08 0.76 -0.75 4.56 4.64 1fnpM1 TYR 2 HB2 -0.00 0.02 0.11 -0.04 3.06 3.15 1fnpM1 TYR 2 HB3 -0.02 0.01 0.14 -0.04 2.98 3.07 1fnpM1 TYR 2 HD2 -0.01 0.04 0.02 -0.04 7.15 7.17 1fnpM1 TYR 2 HE2 0.02 0.10 0.03 -0.04 6.85 6.95 1fnpM1 GLN 3 H -0.40 0.02 0.19 -0.55 8.47 7.73 1fnpM1 GLN 3 HA -0.26 0.25 0.64 -0.75 4.36 4.24 1fnpM1 GLN 3 HB2 -0.20 -0.10 0.10 -0.04 2.15 1.91 1fnpM1 GLN 3 HB3 -0.20 0.02 -0.06 -0.04 2.02 1.75 1fnpM1 GLN 3 HG2 -0.08 0.12 -0.10 -0.04 2.40 2.29 1fnpM1 GLN 3 HG3 -0.08 -0.02 -0.01 -0.04 2.39 2.23 1fnpM1 GLN 3 HE21 -0.08 -0.02 -0.09 -0.04 6.97 6.74 1fnpM1 GLN 3 HE22 -0.09 0.06 -0.45 -0.04 7.69 7.17 1fnpM1 ASN 4 H -1.15 -0.04 0.13 -0.55 8.53 6.93 1fnpM1 ASN 4 HA -0.55 0.04 0.22 -0.75 4.76 3.71 1fnpM1 ASN 4 HB2 -0.41 -0.00 -0.56 -0.04 2.88 1.87 1fnpM1 ASN 4 HB3 -0.24 0.13 0.30 -0.04 2.79 2.94 1fnpM1 ASN 4 HD21 -0.00 -0.04 -0.03 -0.04 7.03 6.91 1fnpM1 ASN 4 HD22 -0.10 0.05 0.10 -0.04 7.74 7.75 1fnpM1 ILE 5 H -0.24 -0.07 0.09 -0.55 8.25 7.48 1fnpM1 ILE 5 HA -0.28 0.22 0.82 -0.75 4.18 4.19 1fnpM1 ILE 5 HB -0.41 -0.05 0.03 -0.04 1.89 1.43 1fnpM1 ILE 5 HG12 -0.22 -0.12 -0.22 -0.04 1.49 0.89 1fnpM1 ILE 5 HG13 -0.18 0.00 -0.05 -0.04 1.21 0.94 1fnpM1 ILE 5 HG23 -0.50 0.01 -0.02 -0.04 0.93 0.38 1fnpM1 ILE 5 HD13 -0.17 0.04 -0.11 -0.04 0.88 0.59 1fnpM1 PHE 6 H 0.06 -0.03 0.14 -0.55 8.34 7.96 1fnpM1 PHE 6 HA 0.21 0.44 0.79 -0.75 4.62 5.31 1fnpM1 PHE 6 HB2 0.07 -0.11 0.04 -0.04 3.15 3.11 1fnpM1 PHE 6 HB3 0.14 0.09 0.07 -0.04 3.06 3.32 1fnpM1 PHE 6 HD2 0.19 0.05 -0.06 -0.04 7.28 7.42 1fnpM1 PHE 6 HE2 0.02 -0.03 -0.05 -0.04 7.38 7.28 1fnpM1 PHE 6 HZ -0.03 -0.03 -0.05 -0.04 7.32 7.18 1fnpM1 SER 7 H 0.45 0.63 0.20 -0.55 8.46 9.20 1fnpM1 SER 7 HA 0.27 -0.03 0.46 -0.75 4.49 4.44 1fnpM1 SER 7 HB2 0.32 0.02 0.05 -0.04 3.95 4.30 1fnpM1 SER 7 HB3 0.16 -0.01 0.00 -0.04 3.93 4.04 1fnpM1 GLN 8 H 0.07 0.10 0.18 -0.55 8.47 8.28 1fnpM1 GLN 8 HA 0.15 0.14 0.66 -0.75 4.36 4.55 1fnpM1 GLN 8 HB2 -0.11 -0.02 0.07 -0.04 2.15 2.05 1fnpM1 GLN 8 HB3 -0.05 0.00 0.02 -0.04 2.02 1.96 1fnpM1 GLN 8 HG2 -0.16 0.03 0.04 -0.04 2.40 2.28 1fnpM1 GLN 8 HG3 -0.62 -0.01 0.10 -0.04 2.39 1.82 1fnpM1 GLN 8 HE21 -0.41 0.00 0.02 -0.04 6.97 6.55 1fnpM1 GLN 8 HE22 -0.79 0.00 0.04 -0.04 7.69 6.89 1fnpM1 VAL 9 H 0.09 0.13 -0.04 -0.55 8.24 7.88 1fnpM1 VAL 9 HA 0.09 0.15 0.76 -0.75 4.13 4.37 1fnpM1 VAL 9 HB 0.00 -0.06 0.07 -0.04 2.12 2.09 1fnpM1 VAL 9 HG13 -0.01 0.02 -0.12 -0.04 0.97 0.82 1fnpM1 VAL 9 HG23 0.01 -0.01 -0.17 -0.04 0.95 0.74 1fnpM1 GLN 10 H -0.14 0.13 0.04 -0.55 8.47 7.96 1fnpM1 GLN 10 HA -0.11 0.20 0.85 -0.75 4.36 4.55 1fnpM1 GLN 10 HB2 -0.38 -0.04 0.00 -0.04 2.15 1.69 1fnpM1 GLN 10 HB3 -0.27 -0.04 -0.04 -0.04 2.02 1.63 1fnpM1 GLN 10 HG2 -0.33 0.20 -0.10 -0.04 2.40 2.13 1fnpM1 GLN 10 HG3 -1.03 -0.02 -0.16 -0.04 2.39 1.14 1fnpM1 GLN 10 HE21 -1.33 0.39 0.01 -0.04 6.97 6.00 1fnpM1 GLN 10 HE22 -3.49 -0.02 -0.14 -0.04 7.69 4.00 1fnpM1 VAL 11 H -0.09 0.28 0.09 -0.55 8.24 7.97 1fnpM1 VAL 11 HA -0.08 0.12 0.77 -0.75 4.13 4.19 1fnpM1 VAL 11 HB -0.04 -0.00 -0.06 -0.04 2.12 1.98 1fnpM1 VAL 11 HG13 -0.03 -0.00 -0.17 -0.04 0.97 0.73 1fnpM1 VAL 11 HG23 -0.04 0.03 -0.12 -0.04 0.95 0.77 1fnpM1 ARG 12 H -0.10 0.21 0.13 -0.55 8.46 8.15 1fnpM1 ARG 12 HA -0.09 0.17 0.86 -0.75 4.34 4.52 1fnpM1 ARG 12 HB2 -0.20 -0.03 -0.06 -0.04 1.90 1.57 1fnpM1 ARG 12 HB3 -0.21 0.00 0.05 -0.04 1.80 1.60 1fnpM1 ARG 12 HG2 -0.41 0.21 0.01 -0.04 1.67 1.43 1fnpM1 ARG 12 HG3 -0.42 -0.06 0.10 -0.04 1.67 1.25 1fnpM1 ARG 12 HD2 -0.51 0.00 -0.05 -0.04 3.22 2.62 1fnpM1 ARG 12 HD3 -1.70 -0.00 -0.03 -0.04 3.22 1.45 1fnpM1 GLY 13 H -0.08 0.17 0.05 -0.55 8.43 8.03 1fnpM1 GLY 13 HA2 -0.08 0.13 0.32 -0.51 4.01 3.86 1fnpM1 GLY 13 HA3 -0.04 0.07 0.40 -0.51 4.01 3.92 1fnpM1 PRO 14 HA 0.01 -0.02 0.40 -0.51 4.44 4.32 1fnpM1 PRO 14 HB2 0.02 0.05 0.03 -0.04 2.28 2.34 1fnpM1 PRO 14 HB3 0.01 0.04 0.08 -0.04 2.02 2.11 1fnpM1 PRO 14 HG2 -0.01 0.04 0.08 -0.04 2.03 2.11 1fnpM1 PRO 14 HG3 -0.01 0.04 0.08 -0.04 2.03 2.09 1fnpM1 PRO 14 HD2 -0.01 0.11 0.16 -0.04 3.68 3.90 1fnpM1 PRO 14 HD3 -0.03 0.12 0.20 -0.04 3.65 3.90 1fnpM1 ALA 15 H 0.15 0.08 0.17 -0.55 8.40 8.25 1fnpM1 ALA 15 HA 0.29 -0.02 0.43 -0.75 4.34 4.29 1fnpM1 ALA 15 HB3 0.15 0.02 0.09 -0.04 1.41 1.62 1fnpM1 ASP 16 H 0.05 0.08 0.19 -0.55 8.40 8.18 1fnpM1 ASP 16 HA 0.02 0.14 0.82 -0.75 4.63 4.86 1fnpM1 ASP 16 HB2 0.03 0.06 0.13 -0.04 2.71 2.89 1fnpM1 ASP 16 HB3 0.00 -0.01 0.17 -0.04 2.70 2.82 1fnpM1 LEU 17 H 0.01 0.20 0.14 -0.55 8.37 8.17 1fnpM1 GLY 18 H -0.01 -0.07 -0.21 -0.55 8.43 7.60 1fnpM1 GLY 18 HA2 -0.02 -0.04 0.19 -0.51 4.01 3.64 1fnpM1 GLY 18 HA3 -0.02 0.22 0.32 -0.51 4.01 4.02 1fnpM1 MET 19 H -0.03 0.10 0.11 -0.55 8.47 8.11 1fnpM1 MET 19 HA -0.02 0.08 0.75 -0.75 4.52 4.58 1fnpM1 MET 19 HB2 -0.04 0.03 0.05 -0.04 2.15 2.16 1fnpM1 MET 19 HB3 -0.03 -0.02 0.02 -0.04 2.03 1.96 1fnpM1 MET 19 HG2 -0.03 -0.07 0.02 -0.04 2.63 2.51 1fnpM1 MET 19 HG3 -0.03 0.03 0.03 -0.04 2.56 2.55 1fnpM1 MET 19 HE3 -0.02 -0.00 0.03 -0.04 2.10 2.07 1fnpM1 THR 20 H -0.02 0.07 0.11 -0.55 8.28 7.89 1fnpM1 THR 20 HA -0.01 0.16 0.46 -0.75 4.39 4.24 1fnpM1 THR 20 HB -0.01 -0.10 0.20 -0.04 4.32 4.37 1fnpM1 THR 20 HG23 -0.01 0.08 -0.08 -0.04 1.22 1.17 1fnpM1 GLU 21 H -0.02 -0.01 0.07 -0.55 8.60 8.10 1fnpM1 GLU 21 HA -0.03 0.02 0.34 -0.75 4.29 3.87 1fnpM1 GLU 21 HB2 -0.04 -0.07 -0.22 -0.04 2.09 1.71 1fnpM1 GLU 21 HB3 -0.05 -0.10 0.26 -0.04 1.99 2.05 1fnpM1 GLU 21 HG2 -0.05 0.12 0.03 -0.04 2.34 2.39 1fnpM1 GLU 21 HG3 -0.04 0.03 0.09 -0.04 2.34 2.38 1fnpM1 ASP 22 H -0.05 0.37 0.23 -0.55 8.40 8.40 1fnpM1 ASP 22 HA -0.02 0.15 0.51 -0.75 4.63 4.51 1fnpM1 ASP 22 HB2 -0.05 0.26 0.25 -0.04 2.71 3.13 1fnpM1 ASP 22 HB3 -0.03 -0.09 0.17 -0.04 2.70 2.71 1fnpM1 VAL 23 H -0.04 0.53 -0.17 -0.55 8.24 8.02 1fnpM1 VAL 23 HA -0.05 -0.06 0.29 -0.75 4.13 3.55 1fnpM1 VAL 23 HB -0.00 0.12 0.06 -0.04 2.12 2.26 1fnpM1 VAL 23 HG13 0.04 -0.03 -0.20 -0.04 0.97 0.74 1fnpM1 VAL 23 HG23 -0.11 0.00 -0.01 -0.04 0.95 0.79 1fnpM1 ASN 24 H 0.11 0.10 0.17 -0.55 8.53 8.36 1fnpM1 ASN 24 HA 0.04 0.13 0.73 -0.75 4.76 4.92 1fnpM1 ASN 24 HB2 0.07 0.10 0.18 -0.04 2.88 3.18 1fnpM1 ASN 24 HB3 0.18 -0.04 0.23 -0.04 2.79 3.11 1fnpM1 ASN 24 HD21 -0.01 0.05 0.01 -0.04 7.03 7.05 1fnpM1 ASN 24 HD22 0.01 0.11 0.08 -0.04 7.74 7.91 1fnpM1 LEU 25 H 0.03 0.32 0.14 -0.55 8.37 8.31 1fnpM1 LEU 25 HA 0.04 0.08 0.24 -0.75 4.35 3.96 1fnpM1 LEU 25 HB2 0.00 -0.03 0.05 -0.04 1.64 1.62 1fnpM1 LEU 25 HB3 0.00 0.04 0.05 -0.04 1.64 1.70 1fnpM1 LEU 25 HG 0.00 -0.01 0.01 -0.04 1.64 1.60 1fnpM1 LEU 25 HD13 0.02 -0.01 -0.07 -0.04 0.93 0.83 1fnpM1 LEU 25 HD23 0.01 0.05 0.06 -0.04 0.89 0.97 1fnpM1 ALA 26 H -0.01 -0.03 -0.55 -0.55 8.40 7.27 1fnpM1 ALA 26 HA -0.04 0.14 0.43 -0.75 4.34 4.12 1fnpM1 ALA 26 HB3 -0.03 -0.01 0.03 -0.04 1.41 1.36 1fnpM1 ASN 27 H -0.11 0.34 -0.21 -0.55 8.53 8.00 1fnpM1 ASN 27 HA -0.23 0.19 0.53 -0.75 4.76 4.49 1fnpM1 ASN 27 HB2 -0.53 0.09 0.06 -0.04 2.88 2.45 1fnpM1 ASN 27 HB3 -1.17 -0.13 -0.22 -0.04 2.79 1.22 1fnpM1 ASN 27 HD21 -0.06 -0.04 0.04 -0.04 7.03 6.93 1fnpM1 ASN 27 HD22 -0.05 -0.03 0.03 -0.04 7.74 7.65 1fnpM1 ARG 28 H -0.10 0.12 -0.29 -0.55 8.46 7.63 1fnpM1 ARG 28 HA -0.08 -0.04 0.62 -0.75 4.34 4.08 1fnpM1 ARG 28 HB2 -0.00 0.14 0.06 -0.04 1.90 2.06 1fnpM1 ARG 28 HB3 0.01 0.06 -0.03 -0.04 1.80 1.80 1fnpM1 ARG 28 HG2 0.26 -0.14 -0.09 -0.04 1.67 1.65 1fnpM1 ARG 28 HG3 0.11 -0.02 -0.07 -0.04 1.67 1.64 1fnpM1 ARG 28 HD2 0.04 0.02 -0.14 -0.04 3.22 3.10 1fnpM1 ARG 28 HD3 0.10 -0.08 -0.11 -0.04 3.22 3.08 1fnpM1 SER 29 H -0.03 0.26 0.16 -0.55 8.46 8.30 1fnpM1 SER 29 HA -0.04 0.16 0.66 -0.75 4.49 4.51 1fnpM1 SER 29 HB2 -0.03 -0.07 0.21 -0.04 3.95 4.02 1fnpM1 SER 29 HB3 -0.03 0.07 0.19 -0.04 3.93 4.12 1fnpM1 GLY 30 H -0.02 0.12 0.12 -0.55 8.43 8.10 1fnpM1 GLY 30 HA2 -0.02 0.17 0.83 -0.51 4.01 4.48 1fnpM1 GLY 30 HA3 -0.02 0.04 0.28 -0.51 4.01 3.80 1fnpM1 VAL 31 H -0.02 0.11 0.05 -0.55 8.24 7.83 1fnpM1 VAL 31 HA -0.07 -0.08 0.31 -0.75 4.13 3.53 1fnpM1 VAL 31 HB -0.02 -0.02 0.12 -0.04 2.12 2.15 1fnpM1 VAL 31 HG13 -0.21 0.05 -0.07 -0.04 0.97 0.70 1fnpM1 VAL 31 HG23 -0.03 -0.01 -0.01 -0.04 0.95 0.86 1fnpM1 GLY 32 H -0.10 0.20 0.03 -0.55 8.43 8.01 1fnpM1 GLY 32 HA2 -0.04 0.06 0.57 -0.51 4.01 4.09 1fnpM1 GLY 32 HA3 -0.07 0.11 0.36 -0.51 4.01 3.90 1fnpM1 PRO 33 HA 0.05 0.07 0.35 -0.51 4.44 4.40 1fnpM1 PRO 33 HB2 0.03 0.05 -0.02 -0.04 2.28 2.29 1fnpM1 PRO 33 HB3 0.03 0.03 0.10 -0.04 2.02 2.14 1fnpM1 PRO 33 HG2 -0.02 0.01 0.03 -0.04 2.03 2.01 1fnpM1 PRO 33 HG3 0.00 0.05 0.06 -0.04 2.03 2.10 1fnpM1 PRO 33 HD2 -0.04 0.13 0.22 -0.04 3.68 3.95 1fnpM1 PRO 33 HD3 -0.01 0.14 0.15 -0.04 3.65 3.88 1fnpM1 PHE 34 H 0.28 0.15 0.14 -0.55 8.34 8.35 1fnpM1 PHE 34 HA -0.02 0.23 0.88 -0.75 4.62 4.96 1fnpM1 PHE 34 HB2 -0.03 -0.02 0.11 -0.04 3.15 3.17 1fnpM1 PHE 34 HB3 -0.05 -0.01 -0.13 -0.04 3.06 2.84 1fnpM1 PHE 34 HD2 -0.03 -0.06 -0.10 -0.04 7.28 7.05 1fnpM1 PHE 34 HE2 -0.02 -0.00 -0.03 -0.04 7.38 7.29 1fnpM1 PHE 34 HZ -0.02 -0.07 0.01 -0.04 7.32 7.20 1fnpM1 SER 35 H 0.03 0.78 0.23 -0.55 8.46 8.95 1fnpM1 SER 35 HA 0.04 0.14 0.94 -0.75 4.49 4.85 1fnpM1 SER 35 HB2 0.02 0.11 0.04 -0.04 3.95 4.08 1fnpM1 SER 35 HB3 0.03 0.06 0.20 -0.04 3.93 4.17 1fnpM1 THR 36 H 0.01 0.27 0.12 -0.55 8.28 8.13 1fnpM1 THR 36 HA -0.19 0.10 0.46 -0.75 4.39 4.01 1fnpM1 THR 36 HB -0.01 -0.02 0.06 -0.04 4.32 4.32 1fnpM1 THR 36 HG23 -0.24 0.02 -0.10 -0.04 1.22 0.86 1fnpM1 LEU 37 H 0.05 0.05 -0.14 -0.55 8.37 7.79 1fnpM1 LEU 37 HA 0.33 0.13 0.35 -0.75 4.35 4.41 1fnpM1 LEU 37 HB2 0.10 0.01 0.09 -0.04 1.64 1.79 1fnpM1 LEU 37 HB3 0.08 -0.07 0.08 -0.04 1.64 1.69 1fnpM1 LEU 37 HG 0.09 0.04 -0.19 -0.04 1.64 1.55 1fnpM1 LEU 37 HD13 0.10 0.01 0.00 -0.04 0.93 1.00 1fnpM1 LEU 37 HD23 0.04 0.01 -0.02 -0.04 0.89 0.87 1fnpM1 LEU 38 H 0.06 0.03 -0.19 -0.55 8.37 7.73 1fnpM1 LEU 38 HA 0.14 0.04 0.31 -0.75 4.35 4.09 1fnpM1 LEU 38 HB2 0.05 -0.07 0.12 -0.04 1.64 1.70 1fnpM1 LEU 38 HB3 0.07 0.31 -0.02 -0.04 1.64 1.96 1fnpM1 LEU 38 HG 0.08 -0.01 0.03 -0.04 1.64 1.70 1fnpM1 LEU 38 HD13 0.05 -0.02 -0.03 -0.04 0.93 0.90 1fnpM1 LEU 38 HD23 0.03 0.01 -0.03 -0.04 0.89 0.85 1fnpM1 GLY 39 H -0.02 0.22 -0.64 -0.55 8.43 7.44 1fnpM1 GLY 39 HA2 0.04 0.23 -0.28 -0.51 4.01 3.49 1fnpM1 GLY 39 HA3 -0.10 -0.07 0.12 -0.51 4.01 3.45 1fnpM1 TRP 40 H 0.24 0.36 -0.42 -0.55 7.97 7.61 1fnpM1 TRP 40 HA 0.12 0.06 0.72 -0.75 4.62 4.77 1fnpM1 TRP 40 HB2 0.07 0.10 0.06 -0.04 3.23 3.42 1fnpM1 TRP 40 HB3 0.08 -0.06 0.09 -0.04 3.23 3.30 1fnpM1 TRP 40 HD1 -0.02 0.07 0.11 -0.04 7.22 7.33 1fnpM1 TRP 40 HE1 -0.03 -0.11 -0.11 -0.04 10.20 9.91 1fnpM1 TRP 40 HE3 0.07 0.10 0.01 -0.04 7.59 7.73 1fnpM1 TRP 40 HZ2 -0.02 -0.05 -0.05 -0.04 7.44 7.28 1fnpM1 TRP 40 HZ3 0.02 0.07 -0.25 -0.04 7.13 6.92 1fnpM1 TRP 40 HH2 -0.01 -0.01 -0.04 -0.04 7.19 7.09 1fnpM1 PHE 41 H 0.41 0.34 -0.06 -0.55 8.34 8.48 1fnpM1 PHE 41 HA 0.26 0.21 0.86 -0.75 4.62 5.20 1fnpM1 PHE 41 HB2 0.30 -0.05 0.02 -0.04 3.15 3.38 1fnpM1 PHE 41 HB3 0.15 -0.02 0.13 -0.04 3.06 3.29 1fnpM1 PHE 41 HD2 0.15 0.02 -0.00 -0.04 7.28 7.41 1fnpM1 PHE 41 HE2 -0.11 -0.03 0.01 -0.04 7.38 7.21 1fnpM1 PHE 41 HZ -0.06 -0.04 0.00 -0.04 7.32 7.18 1fnpM1 GLY 42 H 0.27 0.55 0.19 -0.55 8.43 8.90 1fnpM1 GLY 42 HA2 0.01 0.19 0.75 -0.51 4.01 4.45 1fnpM1 GLY 42 HA3 0.09 -0.07 0.40 -0.51 4.01 3.92 1fnpM1 ASN 43 H 0.04 0.09 0.10 -0.55 8.53 8.21 1fnpM1 ASN 43 HA 0.03 0.14 0.59 -0.75 4.76 4.77 1fnpM1 ASN 43 HB2 0.01 0.07 0.06 -0.04 2.88 2.98 1fnpM1 ASN 43 HB3 0.02 -0.16 0.09 -0.04 2.79 2.69 1fnpM1 ASN 43 HD21 0.00 0.01 0.02 -0.04 7.03 7.02 1fnpM1 ASN 43 HD22 0.00 0.03 0.03 -0.04 7.74 7.77 1fnpM1 ALA 44 H 0.05 0.13 0.18 -0.55 8.40 8.22 1fnpM1 ALA 44 HA 0.03 0.24 0.65 -0.75 4.34 4.51 1fnpM1 ALA 44 HB3 0.11 -0.01 -0.00 -0.04 1.41 1.46 1fnpM1 GLN 45 H 0.02 0.03 -0.02 -0.55 8.47 7.95 1fnpM1 GLN 45 HA -0.57 0.11 0.32 -0.75 4.36 3.46 1fnpM1 GLN 45 HB2 -0.03 -0.01 0.13 -0.04 2.15 2.21 1fnpM1 GLN 45 HB3 -0.09 0.03 0.17 -0.04 2.02 2.08 1fnpM1 GLN 45 HG2 -0.32 -0.18 -0.05 -0.04 2.40 1.80 1fnpM1 GLN 45 HG3 -0.79 0.08 0.02 -0.04 2.39 1.65 1fnpM1 GLN 45 HE21 0.02 -0.10 0.22 -0.04 6.97 7.06 1fnpM1 GLN 45 HE22 0.07 0.07 0.09 -0.04 7.69 7.88 1fnpM1 LEU 46 H -0.30 0.54 0.29 -0.55 8.37 8.36 1fnpM1 LEU 46 HA -0.08 0.13 0.72 -0.75 4.35 4.36 1fnpM1 LEU 46 HB2 -0.12 0.21 0.13 -0.04 1.64 1.82 1fnpM1 LEU 46 HB3 -0.07 -0.03 0.22 -0.04 1.64 1.73 1fnpM1 LEU 46 HG -0.05 -0.00 -0.03 -0.04 1.64 1.51 1fnpM1 LEU 46 HD13 -0.02 -0.03 -0.04 -0.04 0.93 0.80 1fnpM1 LEU 46 HD23 -0.02 0.00 -0.01 -0.04 0.89 0.82 1fnpM1 GLY 47 H -0.18 0.04 -0.76 -0.55 8.43 6.98 1fnpM1 GLY 47 HA2 -0.15 -0.13 0.18 -0.51 4.01 3.40 1fnpM1 GLY 47 HA3 -0.13 0.05 0.31 -0.51 4.01 3.73 1fnpM1 PRO 48 HA -0.03 0.08 -0.27 -0.51 4.44 3.71 1fnpM1 PRO 48 HB2 -0.01 0.01 -0.15 -0.04 2.28 2.09 1fnpM1 PRO 48 HB3 -0.02 0.10 -0.32 -0.04 2.02 1.74 1fnpM1 PRO 48 HG2 -0.02 0.10 -0.00 -0.04 2.03 2.07 1fnpM1 PRO 48 HG3 -0.03 -0.02 0.01 -0.04 2.03 1.96 1fnpM1 PRO 48 HD2 -0.03 0.09 0.01 -0.04 3.68 3.71 1fnpM1 PRO 48 HD3 -0.05 0.07 0.17 -0.04 3.65 3.80 1fnpM1 ILE 49 H -0.01 0.14 0.11 -0.55 8.25 7.94 1fnpM1 ILE 49 HA 0.02 0.18 0.89 -0.75 4.18 4.52 1fnpM1 ILE 49 HB 0.01 0.10 0.05 -0.04 1.89 2.02 1fnpM1 ILE 49 HG12 0.04 0.02 -0.24 -0.04 1.49 1.27 1fnpM1 ILE 49 HG13 0.04 -0.02 0.09 -0.04 1.21 1.27 1fnpM1 ILE 49 HG23 0.00 -0.01 0.02 -0.04 0.93 0.91 1fnpM1 ILE 49 HD13 0.08 -0.00 -0.02 -0.04 0.88 0.90 1fnpM1 TYR 50 H 0.10 0.18 0.07 -0.55 8.29 8.09 1fnpM1 TYR 50 HA -0.05 0.17 0.74 -0.75 4.56 4.67 1fnpM1 TYR 50 HB2 -0.07 0.06 0.01 -0.04 3.06 3.02 1fnpM1 TYR 50 HB3 -0.10 -0.02 0.14 -0.04 2.98 2.96 1fnpM1 TYR 50 HD2 -0.08 -0.01 -0.22 -0.04 7.15 6.80 1fnpM1 TYR 50 HE2 -0.07 -0.08 -0.01 -0.04 6.85 6.66 1fnpM1 LEU 51 H -0.27 0.69 0.12 -0.55 8.37 8.37 1fnpM1 LEU 51 HA -0.02 0.06 0.95 -0.75 4.35 4.58 1fnpM1 LEU 51 HB2 -0.08 0.11 0.13 -0.04 1.64 1.75 1fnpM1 LEU 51 HB3 -0.06 0.01 0.09 -0.04 1.64 1.64 1fnpM1 LEU 51 HG 0.01 -0.01 -0.22 -0.04 1.64 1.37 1fnpM1 LEU 51 HD13 0.01 0.00 -0.04 -0.04 0.93 0.86 1fnpM1 LEU 51 HD23 0.05 0.00 -0.08 -0.04 0.89 0.83 1fnpM1 GLY 52 H 0.02 0.08 -0.07 -0.55 8.43 7.92 1fnpM1 GLY 52 HA2 -0.21 0.25 0.63 -0.51 4.01 4.17 1fnpM1 GLY 52 HA3 0.07 -0.06 0.37 -0.51 4.01 3.88 1fnpM1 SER 53 H 0.02 0.15 0.16 -0.55 8.46 8.26 1fnpM1 SER 53 HA 0.00 0.21 0.52 -0.75 4.49 4.47 1fnpM1 SER 53 HB2 0.02 -0.04 0.16 -0.04 3.95 4.05 1fnpM1 SER 53 HB3 0.02 0.07 0.06 -0.04 3.93 4.03 1fnpM1 LEU 54 H 0.03 0.09 0.05 -0.55 8.37 8.00 1fnpM1 LEU 54 HA 0.06 0.12 0.45 -0.75 4.35 4.22 1fnpM1 LEU 54 HB2 0.01 -0.03 0.12 -0.04 1.64 1.70 1fnpM1 LEU 54 HB3 -0.02 0.06 -0.06 -0.04 1.64 1.57 1fnpM1 LEU 54 HG 0.06 -0.01 0.08 -0.04 1.64 1.73 1fnpM1 LEU 54 HD13 0.05 0.01 0.02 -0.04 0.93 0.98 1fnpM1 LEU 54 HD23 -0.00 0.01 -0.04 -0.04 0.89 0.82 1fnpM1 GLY 55 H 0.02 0.00 -0.37 -0.55 8.43 7.54 1fnpM1 GLY 55 HA2 0.04 0.09 0.36 -0.51 4.01 3.98 1fnpM1 GLY 55 HA3 0.02 0.09 0.23 -0.51 4.01 3.84 1fnpM1 VAL 56 H 0.05 0.25 -0.49 -0.55 8.24 7.51 1fnpM1 VAL 56 HA 0.09 0.09 0.48 -0.75 4.13 4.04 1fnpM1 VAL 56 HB 0.04 0.08 0.11 -0.04 2.12 2.31 1fnpM1 VAL 56 HG13 0.04 -0.01 -0.08 -0.04 0.97 0.88 1fnpM1 VAL 56 HG23 0.01 0.09 -0.02 -0.04 0.95 0.98 1fnpM1 LEU 57 H 0.09 0.44 -0.03 -0.55 8.37 8.32 1fnpM1 LEU 57 HA 0.17 0.04 0.47 -0.75 4.35 4.28 1fnpM1 LEU 57 HB2 0.09 0.04 0.14 -0.04 1.64 1.87 1fnpM1 LEU 57 HB3 0.11 0.06 0.21 -0.04 1.64 1.99 1fnpM1 LEU 57 HG 0.15 0.02 -0.15 -0.04 1.64 1.62 1fnpM1 LEU 57 HD13 0.16 -0.01 0.04 -0.04 0.93 1.08 1fnpM1 LEU 57 HD23 0.10 -0.01 0.01 -0.04 0.89 0.96 1fnpM1 SER 58 H 0.16 0.53 -0.20 -0.55 8.46 8.41 1fnpM1 SER 58 HA 0.16 0.02 0.29 -0.75 4.49 4.21 1fnpM1 SER 58 HB2 0.26 0.04 0.08 -0.04 3.95 4.30 1fnpM1 SER 58 HB3 0.41 0.08 0.10 -0.04 3.93 4.49 1fnpM1 LEU 59 H 0.18 0.43 -0.20 -0.55 8.37 8.23 1fnpM1 LEU 59 HA 0.04 0.01 0.39 -0.75 4.35 4.04 1fnpM1 LEU 59 HB2 0.15 0.28 0.22 -0.04 1.64 2.25 1fnpM1 LEU 59 HB3 0.11 0.02 0.01 -0.04 1.64 1.74 1fnpM1 LEU 59 HG 0.03 -0.04 0.06 -0.04 1.64 1.65 1fnpM1 LEU 59 HD13 0.11 0.00 -0.00 -0.04 0.93 1.00 1fnpM1 LEU 59 HD23 0.03 -0.01 -0.01 -0.04 0.89 0.85 1fnpM1 PHE 60 H 0.24 0.55 -0.21 -0.55 8.34 8.38 1fnpM1 PHE 60 HA 0.02 0.04 0.58 -0.75 4.62 4.51 1fnpM1 PHE 60 HB2 0.05 0.02 0.11 -0.04 3.15 3.28 1fnpM1 PHE 60 HB3 0.07 0.11 0.19 -0.04 3.06 3.40 1fnpM1 PHE 60 HD2 0.09 0.02 -0.02 -0.04 7.28 7.32 1fnpM1 PHE 60 HE2 0.13 -0.00 -0.04 -0.04 7.38 7.43 1fnpM1 PHE 60 HZ 0.07 -0.00 -0.03 -0.04 7.32 7.31 1fnpM1 SER 61 H 0.17 0.64 0.02 -0.55 8.46 8.75 1fnpM1 SER 61 HA -0.05 -0.02 0.42 -0.75 4.49 4.08 1fnpM1 SER 61 HB2 0.09 0.05 0.12 -0.04 3.95 4.17 1fnpM1 SER 61 HB3 0.18 0.12 0.15 -0.04 3.93 4.34 1fnpM1 GLY 62 H -0.01 0.57 -0.16 -0.55 8.43 8.29 1fnpM1 GLY 62 HA2 0.05 0.01 0.35 -0.51 4.01 3.91 1fnpM1 GLY 62 HA3 -0.06 0.10 0.29 -0.51 4.01 3.83 1fnpM1 LEU 63 H -0.16 0.46 -0.19 -0.55 8.37 7.94 1fnpM1 LEU 63 HA -0.38 0.03 0.54 -0.75 4.35 3.78 1fnpM1 LEU 63 HB2 -0.22 0.14 0.16 -0.04 1.64 1.68 1fnpM1 LEU 63 HB3 -0.39 -0.07 0.06 -0.04 1.64 1.20 1fnpM1 LEU 63 HG -0.12 0.27 0.15 -0.04 1.64 1.90 1fnpM1 LEU 63 HD13 0.03 -0.02 0.02 -0.04 0.93 0.91 1fnpM1 LEU 63 HD23 -0.28 -0.02 0.01 -0.04 0.89 0.55 1fnpM1 MET 64 H -0.40 0.43 -0.33 -0.55 8.47 7.63 1fnpM1 MET 64 HA -0.33 0.02 0.50 -0.75 4.52 3.97 1fnpM1 MET 64 HB2 -0.94 0.14 0.23 -0.04 2.15 1.54 1fnpM1 MET 64 HB3 -1.87 -0.06 0.01 -0.04 2.03 0.07 1fnpM1 MET 64 HG2 -1.44 0.21 0.01 -0.04 2.63 1.36 1fnpM1 MET 64 HG3 -1.09 -0.05 -0.02 -0.04 2.56 1.36 1fnpM1 MET 64 HE3 -0.15 -0.01 -0.01 -0.04 2.10 1.89 1fnpM1 TRP 65 H 0.00 0.71 0.06 -0.55 7.97 8.19 1fnpM1 TRP 65 HA -0.09 -0.01 0.55 -0.75 4.62 4.31 1fnpM1 TRP 65 HB2 -0.00 -0.04 0.07 -0.04 3.23 3.21 1fnpM1 TRP 65 HB3 -0.11 0.13 0.13 -0.04 3.23 3.34 1fnpM1 TRP 65 HD1 -0.35 0.12 -0.05 -0.04 7.22 6.91 1fnpM1 TRP 65 HE1 -1.21 0.02 -0.08 -0.04 10.20 8.89 1fnpM1 TRP 65 HE3 -0.09 0.18 0.03 -0.04 7.59 7.67 1fnpM1 TRP 65 HZ2 0.00 0.01 -0.05 -0.04 7.44 7.36 1fnpM1 TRP 65 HZ3 -0.06 -0.01 -0.03 -0.04 7.13 6.99 1fnpM1 TRP 65 HH2 0.01 -0.01 -0.04 -0.04 7.19 7.11 1fnpM1 PHE 66 H -0.02 0.42 -0.39 -0.55 8.34 7.80 1fnpM1 PHE 66 HA -1.00 0.02 0.31 -0.75 4.62 3.19 1fnpM1 PHE 66 HB2 -0.26 0.20 0.16 -0.04 3.15 3.21 1fnpM1 PHE 66 HB3 -0.63 0.07 0.12 -0.04 3.06 2.59 1fnpM1 PHE 66 HD2 -0.56 0.01 -0.03 -0.04 7.28 6.66 1fnpM1 PHE 66 HE2 -0.10 -0.01 -0.02 -0.04 7.38 7.21 1fnpM1 PHE 66 HZ -0.05 -0.01 -0.02 -0.04 7.32 7.20 1fnpM1 PHE 67 H -0.21 0.47 -0.20 -0.55 8.34 7.85 1fnpM1 PHE 67 HA -0.19 0.04 0.63 -0.75 4.62 4.35 1fnpM1 PHE 67 HB2 -0.13 0.12 0.17 -0.04 3.15 3.26 1fnpM1 PHE 67 HB3 -0.07 -0.08 0.02 -0.04 3.06 2.88 1fnpM1 PHE 67 HD2 -0.06 -0.03 -0.04 -0.04 7.28 7.11 1fnpM1 PHE 67 HE2 0.06 -0.02 -0.02 -0.04 7.38 7.36 1fnpM1 PHE 67 HZ 0.05 -0.02 -0.01 -0.04 7.32 7.31 1fnpM1 THR 68 H -0.12 0.60 -0.07 -0.55 8.28 8.14 1fnpM1 THR 68 HA 0.02 0.00 0.51 -0.75 4.39 4.17 1fnpM1 THR 68 HB -0.14 0.10 0.19 -0.04 4.32 4.42 1fnpM1 THR 68 HG23 0.04 -0.03 0.01 -0.04 1.22 1.19 1fnpM1 ILE 69 H -0.44 0.44 -0.16 -0.55 8.25 7.54 1fnpM1 ILE 69 HA -0.18 0.02 0.43 -0.75 4.18 3.70 1fnpM1 ILE 69 HB -0.81 0.14 0.10 -0.04 1.89 1.28 1fnpM1 ILE 69 HG12 -0.45 -0.05 0.05 -0.04 1.49 1.00 1fnpM1 ILE 69 HG13 -0.80 0.12 0.12 -0.04 1.21 0.61 1fnpM1 ILE 69 HG23 -0.88 -0.02 -0.09 -0.04 0.93 -0.10 1fnpM1 ILE 69 HD13 -1.24 -0.01 -0.02 -0.04 0.88 -0.43 1fnpM1 GLY 70 H -0.31 0.22 -0.40 -0.55 8.43 7.39 1fnpM1 GLY 70 HA2 -0.30 0.02 0.15 -0.51 4.01 3.37 1fnpM1 GLY 70 HA3 -0.05 0.11 0.30 -0.51 4.01 3.86 1fnpM1 ILE 71 H 0.10 0.66 0.00 -0.55 8.25 8.46 1fnpM1 ILE 71 HA 0.28 0.04 0.58 -0.75 4.18 4.32 1fnpM1 ILE 71 HB 0.23 -0.05 0.05 -0.04 1.89 2.07 1fnpM1 ILE 71 HG12 0.10 0.36 0.26 -0.04 1.49 2.17 1fnpM1 ILE 71 HG13 0.20 0.02 0.09 -0.04 1.21 1.48 1fnpM1 ILE 71 HG23 0.09 0.01 0.06 -0.04 0.93 1.05 1fnpM1 ILE 71 HD13 0.12 -0.03 0.03 -0.04 0.88 0.95 1fnpM1 TRP 72 H 0.27 0.41 -0.28 -0.55 7.97 7.82 1fnpM1 TRP 72 HA 0.12 -0.01 0.41 -0.75 4.62 4.38 1fnpM1 TRP 72 HB2 0.09 -0.00 0.13 -0.04 3.23 3.41 1fnpM1 TRP 72 HB3 0.07 0.25 0.18 -0.04 3.23 3.68 1fnpM1 TRP 72 HD1 0.43 0.00 -0.27 -0.04 7.22 7.34 1fnpM1 TRP 72 HE1 0.20 0.41 0.12 -0.04 10.20 10.89 1fnpM1 TRP 72 HE3 0.10 -0.02 0.04 -0.04 7.59 7.67 1fnpM1 TRP 72 HZ2 0.18 0.06 0.06 -0.04 7.44 7.70 1fnpM1 TRP 72 HZ3 -0.03 -0.06 0.01 -0.04 7.13 7.01 1fnpM1 TRP 72 HH2 0.23 0.05 0.06 -0.04 7.19 7.50 1fnpM1 PHE 73 H 0.21 0.52 -0.11 -0.55 8.34 8.40 1fnpM1 PHE 73 HA -0.65 0.00 0.43 -0.75 4.62 3.65 1fnpM1 PHE 73 HB2 -0.15 0.16 0.10 -0.04 3.15 3.22 1fnpM1 PHE 73 HB3 -0.67 -0.03 -0.02 -0.04 3.06 2.30 1fnpM1 PHE 73 HD2 -0.03 -0.05 -0.09 -0.04 7.28 7.06 1fnpM1 PHE 73 HE2 0.14 -0.05 -0.10 -0.04 7.38 7.33 1fnpM1 PHE 73 HZ 0.11 0.02 -0.17 -0.04 7.32 7.24 1fnpM1 TRP 74 H 0.01 0.37 -0.42 -0.55 7.97 7.38 1fnpM1 TRP 74 HA -0.35 0.03 0.57 -0.75 4.62 4.12 1fnpM1 TRP 74 HB2 -0.35 0.15 0.22 -0.04 3.23 3.20 1fnpM1 TRP 74 HB3 -1.10 -0.02 0.01 -0.04 3.23 2.08 1fnpM1 TRP 74 HD1 -0.21 -0.18 -0.11 -0.04 7.22 6.68 1fnpM1 TRP 74 HE1 -0.28 -0.03 -0.21 -0.04 10.20 9.64 1fnpM1 TRP 74 HE3 -0.17 0.15 -0.11 -0.04 7.59 7.41 1fnpM1 TRP 74 HZ2 -0.61 -0.02 -0.04 -0.04 7.44 6.72 1fnpM1 TRP 74 HZ3 -0.18 -0.02 -0.07 -0.04 7.13 6.82 1fnpM1 TRP 74 HH2 -0.36 -0.01 -0.04 -0.04 7.19 6.74 1fnpM1 TYR 75 H -0.46 0.56 0.03 -0.55 8.29 7.86 1fnpM1 TYR 75 HA -1.12 -0.01 0.42 -0.75 4.56 3.09 1fnpM1 TYR 75 HB2 -0.25 -0.03 0.12 -0.04 3.06 2.86 1fnpM1 TYR 75 HB3 -0.58 0.12 0.21 -0.04 2.98 2.70 1fnpM1 TYR 75 HD2 -0.78 0.01 0.03 -0.04 7.15 6.37 1fnpM1 TYR 75 HE2 -0.08 0.00 0.01 -0.04 6.85 6.74 1fnpM1 GLN 76 H -0.83 0.45 -0.29 -0.55 8.47 7.25 1fnpM1 GLN 76 HA -0.78 0.07 0.58 -0.75 4.36 3.48 1fnpM1 GLN 76 HB2 -0.85 0.09 0.14 -0.04 2.15 1.49 1fnpM1 GLN 76 HB3 -0.25 -0.03 0.04 -0.04 2.02 1.74 1fnpM1 GLN 76 HG2 -0.60 -0.02 0.06 -0.04 2.40 1.79 1fnpM1 GLN 76 HG3 -1.32 0.12 0.06 -0.04 2.39 1.21 1fnpM1 GLN 76 HE21 0.33 0.04 0.13 -0.04 6.97 7.43 1fnpM1 GLN 76 HE22 0.20 -0.02 0.07 -0.04 7.69 7.89 1fnpM1 ALA 77 H -0.69 0.27 -0.33 -0.55 8.40 7.09 1fnpM1 ALA 77 HA -0.08 0.09 0.37 -0.75 4.34 3.96 1fnpM1 ALA 77 HB3 -0.29 -0.01 0.06 -0.04 1.41 1.13 1fnpM1 GLY 78 H -0.45 0.30 -0.65 -0.55 8.43 7.08 1fnpM1 GLY 78 HA2 -0.10 0.08 0.29 -0.51 4.01 3.77 1fnpM1 GLY 78 HA3 -0.03 0.05 0.48 -0.51 4.01 4.00 1fnpM1 TRP 79 H -0.37 0.55 -0.14 -0.55 7.97 7.46 1fnpM1 TRP 79 HA 0.42 -0.02 0.18 -0.75 4.62 4.44 1fnpM1 TRP 79 HB2 0.03 0.18 -0.05 -0.04 3.23 3.35 1fnpM1 TRP 79 HB3 -0.01 -0.05 0.13 -0.04 3.23 3.26 1fnpM1 TRP 79 HD1 0.03 0.06 -0.27 -0.04 7.22 7.00 1fnpM1 TRP 79 HE1 0.15 0.01 -0.03 -0.04 10.20 10.30 1fnpM1 TRP 79 HE3 -0.25 -0.00 -0.01 -0.04 7.59 7.29 1fnpM1 TRP 79 HZ2 0.11 -0.01 -0.01 -0.04 7.44 7.49 1fnpM1 TRP 79 HZ3 -0.18 -0.01 0.00 -0.04 7.13 6.90 1fnpM1 TRP 79 HH2 0.03 -0.02 -0.00 -0.04 7.19 7.16 1fnpM1 ASN 80 H 0.14 0.30 -0.85 -0.55 8.53 7.58 1fnpM1 ASN 80 HA 0.17 0.17 0.65 -0.75 4.76 5.00 1fnpM1 ASN 80 HB2 0.10 0.17 0.07 -0.04 2.88 3.17 1fnpM1 ASN 80 HB3 0.07 0.07 0.20 -0.04 2.79 3.10 1fnpM1 ASN 80 HD21 0.04 -0.01 0.03 -0.04 7.03 7.04 1fnpM1 ASN 80 HD22 0.05 0.09 0.05 -0.04 7.74 7.89 1fnpM1 PRO 81 HA 0.26 0.07 0.27 -0.51 4.44 4.53 1fnpM1 PRO 81 HB2 0.14 0.02 -0.00 -0.04 2.28 2.40 1fnpM1 PRO 81 HB3 0.21 0.05 0.08 -0.04 2.02 2.32 1fnpM1 PRO 81 HG2 0.11 0.04 0.10 -0.04 2.03 2.24 1fnpM1 PRO 81 HG3 0.21 0.11 0.09 -0.04 2.03 2.40 1fnpM1 PRO 81 HD2 0.12 0.04 0.23 -0.04 3.68 4.02 1fnpM1 PRO 81 HD3 0.17 0.39 0.44 -0.04 3.65 4.61 1fnpM1 ALA 82 H 0.10 0.14 -0.21 -0.55 8.40 7.88 1fnpM1 ALA 82 HA 0.06 0.12 0.56 -0.75 4.34 4.32 1fnpM1 ALA 82 HB3 0.04 0.02 0.05 -0.04 1.41 1.48 1fnpM1 VAL 83 H 0.06 0.17 -0.14 -0.55 8.24 7.78 1fnpM1 VAL 83 HA -0.02 0.06 0.55 -0.75 4.13 3.96 1fnpM1 VAL 83 HB 0.04 0.25 0.22 -0.04 2.12 2.59 1fnpM1 VAL 83 HG13 0.01 -0.00 -0.00 -0.04 0.97 0.94 1fnpM1 VAL 83 HG23 0.01 -0.02 0.07 -0.04 0.95 0.96 1fnpM1 PHE 84 H 0.15 0.52 -0.06 -0.55 8.34 8.40 1fnpM1 PHE 84 HA -0.03 0.06 0.33 -0.75 4.62 4.23 1fnpM1 PHE 84 HB2 -0.46 0.02 -0.04 -0.04 3.15 2.63 1fnpM1 PHE 84 HB3 -0.17 0.10 0.09 -0.04 3.06 3.03 1fnpM1 PHE 84 HD2 -0.80 0.04 -0.21 -0.04 7.28 6.27 1fnpM1 PHE 84 HE2 -0.65 0.00 -0.11 -0.04 7.38 6.59 1fnpM1 PHE 84 HZ -0.59 -0.01 -0.05 -0.04 7.32 6.63 1fnpM1 LEU 85 H 0.10 0.40 -0.32 -0.55 8.37 8.00 1fnpM1 LEU 85 HA -0.18 0.05 0.50 -0.75 4.35 3.97 1fnpM1 LEU 85 HB2 0.06 0.15 0.18 -0.04 1.64 1.99 1fnpM1 LEU 85 HB3 -0.02 -0.01 -0.00 -0.04 1.64 1.57 1fnpM1 LEU 85 HG 0.03 -0.03 0.05 -0.04 1.64 1.65 1fnpM1 LEU 85 HD13 0.30 0.01 -0.04 -0.04 0.93 1.16 1fnpM1 LEU 85 HD23 0.07 -0.01 0.01 -0.04 0.89 0.91 1fnpM1 ARG 86 H -0.08 0.29 -0.30 -0.55 8.46 7.81 1fnpM1 ARG 86 HA -0.14 0.05 0.56 -0.75 4.34 4.06 1fnpM1 ARG 86 HB2 -0.08 0.08 0.17 -0.04 1.90 2.03 1fnpM1 ARG 86 HB3 -0.13 0.05 0.22 -0.04 1.80 1.90 1fnpM1 ARG 86 HG2 -0.19 -0.02 -0.10 -0.04 1.67 1.33 1fnpM1 ARG 86 HG3 -0.09 -0.03 0.06 -0.04 1.67 1.56 1fnpM1 ARG 86 HD2 -0.11 -0.03 -0.01 -0.04 3.22 3.03 1fnpM1 ARG 86 HD3 -0.08 -0.02 -0.00 -0.04 3.22 3.08 1fnpM1 ASP 87 H -0.30 0.64 -0.08 -0.55 8.40 8.12 1fnpM1 ASP 87 HA -0.40 0.14 0.64 -0.75 4.63 4.25 1fnpM1 ASP 87 HB2 -0.66 0.16 0.07 -0.04 2.71 2.25 1fnpM1 ASP 87 HB3 -1.05 -0.09 0.13 -0.04 2.70 1.66 1fnpM1 LEU 88 H -0.62 0.30 -0.46 -0.55 8.37 7.05 1fnpM1 LEU 88 HA -0.44 0.09 0.16 -0.75 4.35 3.40 1fnpM1 LEU 88 HB2 -0.58 0.21 0.16 -0.04 1.64 1.39 1fnpM1 LEU 88 HB3 -1.03 -0.03 0.09 -0.04 1.64 0.63 1fnpM1 LEU 88 HG -0.21 -0.07 -0.11 -0.04 1.64 1.21 1fnpM1 LEU 88 HD13 -0.58 -0.00 0.00 -0.04 0.93 0.31 1fnpM1 LEU 88 HD23 -0.15 -0.01 -0.01 -0.04 0.89 0.68 1fnpM1 PHE 89 H -0.97 0.17 -0.10 -0.55 8.34 6.89 1fnpM1 PHE 89 HA -0.43 0.04 0.59 -0.75 4.62 4.06 1fnpM1 PHE 89 HB2 -1.52 0.07 0.04 -0.04 3.15 1.70 1fnpM1 PHE 89 HB3 -1.55 -0.07 0.15 -0.04 3.06 1.55 1fnpM1 PHE 89 HD2 -0.30 0.01 -0.03 -0.04 7.28 6.92 1fnpM1 PHE 89 HE2 -0.07 0.02 0.00 -0.04 7.38 7.29 1fnpM1 PHE 89 HZ -0.06 0.02 0.01 -0.04 7.32 7.25 1fnpM1 PHE 90 H -0.33 0.37 -0.36 -0.55 8.34 7.46 1fnpM1 PHE 90 HA -0.09 0.03 0.56 -0.75 4.62 4.37 1fnpM1 PHE 90 HB2 -0.58 0.15 0.08 -0.04 3.15 2.76 1fnpM1 PHE 90 HB3 -0.21 -0.01 0.04 -0.04 3.06 2.83 1fnpM1 PHE 90 HD2 -0.19 -0.03 -0.04 -0.04 7.28 6.98 1fnpM1 PHE 90 HE2 0.05 0.03 0.00 -0.04 7.38 7.43 1fnpM1 PHE 90 HZ 0.19 0.00 -0.01 -0.04 7.32 7.46 1fnpM1 PHE 91 H -0.72 0.25 -0.06 -0.55 8.34 7.25 1fnpM1 PHE 91 HA -0.29 0.06 0.50 -0.75 4.62 4.14 1fnpM1 PHE 91 HB2 -1.78 0.05 0.06 -0.04 3.15 1.44 1fnpM1 PHE 91 HB3 -1.29 -0.07 0.07 -0.04 3.06 1.74 1fnpM1 PHE 91 HD2 -0.58 -0.00 0.00 -0.04 7.28 6.66 1fnpM1 PHE 91 HE2 -0.52 0.11 -0.14 -0.04 7.38 6.79 1fnpM1 PHE 91 HZ -0.31 -0.04 -0.23 -0.04 7.32 6.71 1fnpM1 SER 92 H 0.18 0.20 0.13 -0.55 8.46 8.42 1fnpM1 SER 92 HA 0.36 0.26 0.67 -0.75 4.49 5.03 1fnpM1 SER 92 HB2 0.16 0.10 -0.38 -0.04 3.95 3.80 1fnpM1 SER 92 HB3 0.23 -0.02 -0.06 -0.04 3.93 4.04 1fnpM1 LEU 93 H 0.55 0.63 0.24 -0.55 8.37 9.23 1fnpM1 LEU 93 HA 0.06 0.12 0.93 -0.75 4.35 4.71 1fnpM1 LEU 93 HB2 0.24 0.00 0.11 -0.04 1.64 1.95 1fnpM1 LEU 93 HB3 0.43 -0.04 0.25 -0.04 1.64 2.25 1fnpM1 LEU 93 HG 0.34 0.07 -0.28 -0.04 1.64 1.72 1fnpM1 LEU 93 HD13 -0.74 -0.04 -0.02 -0.04 0.93 0.10 1fnpM1 LEU 93 HD23 0.06 0.00 -0.24 -0.04 0.89 0.67 1fnpM1 GLU 94 H 0.07 0.16 0.04 -0.55 8.60 8.32 1fnpM1 GLU 94 HA 0.01 0.14 0.56 -0.75 4.29 4.25 1fnpM1 GLU 94 HB2 0.05 -0.05 0.01 -0.04 2.09 2.06 1fnpM1 GLU 94 HB3 -0.01 0.15 -0.01 -0.04 1.99 2.08 1fnpM1 GLU 94 HG2 0.19 -0.09 -0.26 -0.04 2.34 2.13 1fnpM1 GLU 94 HG3 0.14 0.00 -0.06 -0.04 2.34 2.38 1fnpM1 PRO 95 HA -1.06 -0.00 0.44 -0.51 4.44 3.31 1fnpM1 PRO 95 HB2 -0.46 0.02 -0.13 -0.04 2.28 1.67 1fnpM1 PRO 95 HB3 -1.34 0.16 0.03 -0.04 2.02 0.84 1fnpM1 PRO 95 HG2 -0.44 0.28 -0.09 -0.04 2.03 1.73 1fnpM1 PRO 95 HG3 -1.42 0.03 -0.18 -0.04 2.03 0.42 1fnpM1 PRO 95 HD2 -0.21 0.09 0.10 -0.04 3.68 3.62 1fnpM1 PRO 95 HD3 -0.30 0.04 0.15 -0.04 3.65 3.51 1fnpM1 PRO 96 HA -0.10 0.26 0.66 -0.51 4.44 4.75 1fnpM1 PRO 96 HB2 0.03 0.03 -0.01 -0.04 2.28 2.29 1fnpM1 PRO 96 HB3 -0.13 -0.01 0.10 -0.04 2.02 1.93 1fnpM1 PRO 96 HG2 0.16 -0.03 0.01 -0.04 2.03 2.12 1fnpM1 PRO 96 HG3 0.10 0.09 0.03 -0.04 2.03 2.21 1fnpM1 PRO 96 HD2 -0.48 0.14 0.14 -0.04 3.68 3.44 1fnpM1 PRO 96 HD3 0.00 0.14 0.21 -0.04 3.65 3.96 1fnpM1 ALA 97 H 0.08 0.11 0.19 -0.55 8.40 8.23 1fnpM1 ALA 97 HA 0.05 0.17 0.39 -0.75 4.34 4.21 1fnpM1 ALA 97 HB3 0.16 -0.00 0.15 -0.04 1.41 1.68 1fnpM1 PRO 98 HA 0.01 0.06 0.39 -0.51 4.44 4.39 1fnpM1 PRO 98 HB2 -0.01 0.01 0.05 -0.04 2.28 2.29 1fnpM1 PRO 98 HB3 -0.02 0.09 0.11 -0.04 2.02 2.16 1fnpM1 PRO 98 HG2 0.00 0.05 0.08 -0.04 2.03 2.12 1fnpM1 PRO 98 HG3 0.01 0.09 0.07 -0.04 2.03 2.16 1fnpM1 PRO 98 HD2 0.03 0.06 0.21 -0.04 3.68 3.94 1fnpM1 PRO 98 HD3 0.03 0.19 0.21 -0.04 3.65 4.04 1fnpM1 GLU 99 H 0.03 0.02 -0.47 -0.55 8.60 7.64 1fnpM1 GLU 99 HA -0.10 0.06 0.27 -0.75 4.29 3.77 1fnpM1 GLU 99 HB2 -0.18 -0.05 0.04 -0.04 2.09 1.86 1fnpM1 GLU 99 HB3 -0.50 0.03 -0.05 -0.04 1.99 1.43 1fnpM1 GLU 99 HG2 -0.12 -0.01 0.02 -0.04 2.34 2.19 1fnpM1 GLU 99 HG3 -0.11 0.03 0.04 -0.04 2.34 2.25 1fnpM1 TYR 100 H 0.23 0.40 -0.23 -0.55 8.29 8.14 1fnpM1 TYR 100 HA 0.01 0.06 0.34 -0.75 4.56 4.22 1fnpM1 TYR 100 HB2 0.06 0.11 -0.02 -0.04 3.06 3.17 1fnpM1 TYR 100 HB3 0.05 0.03 0.05 -0.04 2.98 3.07 1fnpM1 TYR 100 HD2 0.03 0.18 0.06 -0.04 7.15 7.38 1fnpM1 TYR 100 HE2 0.03 -0.05 0.03 -0.04 6.85 6.83 1fnpM1 GLY 101 H 0.02 0.36 -0.34 -0.55 8.43 7.92 1fnpM1 GLY 101 HA2 -0.11 0.19 0.48 -0.51 4.01 4.06 1fnpM1 GLY 101 HA3 -0.09 -0.01 0.43 -0.51 4.01 3.83 1fnpM1 LEU 102 H -0.24 0.16 0.11 -0.55 8.37 7.86 1fnpM1 LEU 102 HA -1.36 0.13 0.69 -0.75 4.35 3.06 1fnpM1 LEU 102 HB2 -0.34 -0.01 0.09 -0.04 1.64 1.34 1fnpM1 LEU 102 HB3 -0.62 -0.02 0.16 -0.04 1.64 1.11 1fnpM1 LEU 102 HG -0.50 -0.01 -0.48 -0.04 1.64 0.61 1fnpM1 LEU 102 HD13 -0.37 0.03 0.07 -0.04 0.93 0.63 1fnpM1 LEU 102 HD23 -1.45 0.06 -0.28 -0.04 0.89 -0.82 1fnpM1 SER 103 H 0.01 0.46 -0.43 -0.55 8.46 7.95 1fnpM1 SER 103 HA -0.03 0.08 0.76 -0.75 4.49 4.55 1fnpM1 SER 103 HB2 0.09 -0.11 0.11 -0.04 3.95 4.00 1fnpM1 SER 103 HB3 0.07 0.32 0.16 -0.04 3.93 4.43 1fnpM1 PHE 104 H 0.27 0.04 0.16 -0.55 8.34 8.26 1fnpM1 PHE 104 HA 0.12 0.22 0.68 -0.75 4.62 4.89 1fnpM1 PHE 104 HB2 0.06 -0.04 0.04 -0.04 3.15 3.17 1fnpM1 PHE 104 HB3 0.02 -0.02 0.06 -0.04 3.06 3.08 1fnpM1 PHE 104 HD2 0.04 -0.03 0.02 -0.04 7.28 7.26 1fnpM1 PHE 104 HE2 0.07 0.00 -0.02 -0.04 7.38 7.40 1fnpM1 PHE 104 HZ 0.24 -0.00 -0.03 -0.04 7.32 7.49 1fnpM1 ALA 105 H 0.20 -0.00 0.02 -0.55 8.40 8.07 1fnpM1 ALA 105 HA 0.11 0.05 0.64 -0.75 4.34 4.39 1fnpM1 ALA 105 HB3 0.13 0.00 0.11 -0.04 1.41 1.61 1fnpM1 ALA 106 H 0.05 0.27 0.11 -0.55 8.40 8.28 1fnpM1 ALA 106 HA -0.08 0.06 0.34 -0.75 4.34 3.90 1fnpM1 ALA 106 HB3 -0.34 0.07 -0.18 -0.04 1.41 0.92 1fnpM1 PRO 107 HA 0.01 0.06 0.36 -0.51 4.44 4.36 1fnpM1 PRO 107 HB2 0.02 -0.09 -0.02 -0.04 2.28 2.15 1fnpM1 PRO 107 HB3 0.04 0.08 0.10 -0.04 2.02 2.20 1fnpM1 PRO 107 HG2 -0.05 0.03 0.02 -0.04 2.03 1.99 1fnpM1 PRO 107 HG3 0.08 0.10 0.04 -0.04 2.03 2.20 1fnpM1 PRO 107 HD2 -0.33 0.19 0.16 -0.04 3.68 3.66 1fnpM1 PRO 107 HD3 0.07 0.15 0.09 -0.04 3.65 3.92 1fnpM1 LEU 108 H 0.01 0.21 0.21 -0.55 8.37 8.25 1fnpM1 LEU 108 HA -0.03 -0.07 0.61 -0.75 4.35 4.11 1fnpM1 LEU 108 HB2 0.03 0.03 0.20 -0.04 1.64 1.86 1fnpM1 LEU 108 HB3 0.03 0.07 0.01 -0.04 1.64 1.71 1fnpM1 LEU 108 HG 0.02 -0.05 -0.03 -0.04 1.64 1.54 1fnpM1 LEU 108 HD13 0.02 0.03 0.04 -0.04 0.93 0.98 1fnpM1 LEU 108 HD23 0.05 0.02 0.02 -0.04 0.89 0.94 1fnpM1 LYS 109 H 0.04 0.12 -0.10 -0.55 8.42 7.93 1fnpM1 LYS 109 HA 0.09 0.16 0.64 -0.75 4.32 4.45 1fnpM1 LYS 109 HB2 0.12 -0.04 0.10 -0.04 1.87 2.00 1fnpM1 LYS 109 HB3 0.24 0.08 0.20 -0.04 1.79 2.27 1fnpM1 LYS 109 HG2 0.42 0.07 0.07 -0.04 1.46 1.97 1fnpM1 LYS 109 HG3 0.13 -0.08 0.00 -0.04 1.46 1.48 1fnpM1 LYS 109 HD2 0.18 0.05 0.05 -0.04 1.69 1.92 1fnpM1 LYS 109 HD3 -0.10 0.03 0.03 -0.04 1.68 1.59 1fnpM1 LYS 109 HE2 0.10 0.00 0.03 -0.04 2.99 3.08 1fnpM1 LYS 109 HE3 0.07 0.04 0.02 -0.04 2.99 3.07 1fnpM1 GLU 110 H -0.06 0.13 -0.82 -0.55 8.60 7.30 1fnpM1 GLU 110 HA 0.00 0.21 0.63 -0.75 4.29 4.38 1fnpM1 GLU 110 HB2 -0.02 -0.14 -0.17 -0.04 2.09 1.71 1fnpM1 GLU 110 HB3 -0.15 -0.00 0.17 -0.04 1.99 1.97 1fnpM1 GLU 110 HG2 0.08 -0.03 0.09 -0.04 2.34 2.45 1fnpM1 GLU 110 HG3 0.08 0.18 0.12 -0.04 2.34 2.68 1fnpM1 GLY 111 H -0.14 0.10 0.02 -0.55 8.43 7.87 1fnpM1 GLY 111 HA2 -0.01 0.22 0.24 -0.51 4.01 3.95 1fnpM1 GLY 111 HA3 -0.08 0.25 0.72 -0.51 4.01 4.40 1fnpM1 GLY 112 H -0.08 0.28 0.13 -0.55 8.43 8.21 1fnpM1 GLY 112 HA2 0.01 0.20 0.50 -0.51 4.01 4.21 1fnpM1 GLY 112 HA3 -0.02 0.02 0.19 -0.51 4.01 3.69 1fnpM1 LEU 113 H -0.09 0.31 0.16 -0.55 8.37 8.20 1fnpM1 LEU 113 HA 0.01 0.05 0.50 -0.75 4.35 4.15 1fnpM1 LEU 113 HB2 -0.30 0.09 0.18 -0.04 1.64 1.57 1fnpM1 LEU 113 HB3 -0.13 0.05 -0.02 -0.04 1.64 1.50 1fnpM1 LEU 113 HG 0.01 -0.06 0.07 -0.04 1.64 1.62 1fnpM1 LEU 113 HD13 0.19 0.04 0.03 -0.04 0.93 1.15 1fnpM1 LEU 113 HD23 0.07 -0.00 0.06 -0.04 0.89 0.98 1fnpM1 TRP 114 H 0.11 0.05 -0.50 -0.55 7.97 7.08 1fnpM1 TRP 114 HA 0.10 0.03 0.34 -0.75 4.62 4.33 1fnpM1 TRP 114 HB2 -0.09 0.10 -0.12 -0.04 3.23 3.08 1fnpM1 TRP 114 HB3 -0.08 0.21 0.07 -0.04 3.23 3.40 1fnpM1 TRP 114 HD1 0.03 0.05 -0.34 -0.04 7.22 6.91 1fnpM1 TRP 114 HE1 -0.50 0.18 0.07 -0.04 10.20 9.91 1fnpM1 TRP 114 HE3 -0.20 0.02 -0.19 -0.04 7.59 7.18 1fnpM1 TRP 114 HZ2 -0.15 0.08 0.01 -0.04 7.44 7.34 1fnpM1 TRP 114 HZ3 -0.61 -0.01 -0.00 -0.04 7.13 6.47 1fnpM1 TRP 114 HH2 -0.04 0.13 0.08 -0.04 7.19 7.32 1fnpM1 LEU 115 H 0.19 0.46 -0.12 -0.55 8.37 8.36 1fnpM1 LEU 115 HA -0.16 0.07 0.43 -0.75 4.35 3.93 1fnpM1 LEU 115 HB2 0.05 0.12 0.24 -0.04 1.64 2.01 1fnpM1 LEU 115 HB3 0.03 -0.07 -0.01 -0.04 1.64 1.55 1fnpM1 LEU 115 HG 0.02 -0.04 0.04 -0.04 1.64 1.62 1fnpM1 LEU 115 HD13 -0.47 -0.01 0.01 -0.04 0.93 0.42 1fnpM1 LEU 115 HD23 0.05 0.07 0.04 -0.04 0.89 1.00 1fnpM1 ILE 116 H 0.01 0.44 -0.22 -0.55 8.25 7.94 1fnpM1 ILE 116 HA -0.02 0.01 0.37 -0.75 4.18 3.78 1fnpM1 ILE 116 HB 0.07 0.07 0.22 -0.04 1.89 2.22 1fnpM1 ILE 116 HG12 0.01 -0.04 0.04 -0.04 1.49 1.46 1fnpM1 ILE 116 HG13 0.02 0.23 0.11 -0.04 1.21 1.53 1fnpM1 ILE 116 HG23 0.27 -0.02 -0.08 -0.04 0.93 1.06 1fnpM1 ILE 116 HD13 0.06 -0.04 -0.03 -0.04 0.88 0.83 1fnpM1 ALA 117 H 0.01 0.66 -0.02 -0.55 8.40 8.50 1fnpM1 ALA 117 HA 0.30 -0.06 0.31 -0.75 4.34 4.14 1fnpM1 ALA 117 HB3 -0.16 0.03 0.13 -0.04 1.41 1.36 1fnpM1 SER 118 H -0.23 0.55 -0.33 -0.55 8.46 7.90 1fnpM1 SER 118 HA -0.05 -0.03 0.42 -0.75 4.49 4.07 1fnpM1 SER 118 HB2 -0.51 0.12 0.16 -0.04 3.95 3.67 1fnpM1 SER 118 HB3 -0.35 -0.05 0.04 -0.04 3.93 3.53 1fnpM1 PHE 119 H 0.04 0.65 -0.03 -0.55 8.34 8.45 1fnpM1 PHE 119 HA -0.08 0.01 0.50 -0.75 4.62 4.28 1fnpM1 PHE 119 HB2 -0.18 0.05 0.15 -0.04 3.15 3.13 1fnpM1 PHE 119 HB3 -0.33 0.17 0.21 -0.04 3.06 3.07 1fnpM1 PHE 119 HD2 -0.51 0.03 -0.03 -0.04 7.28 6.73 1fnpM1 PHE 119 HE2 -0.15 -0.01 -0.03 -0.04 7.38 7.15 1fnpM1 PHE 119 HZ -0.05 -0.02 -0.02 -0.04 7.32 7.19 1fnpM1 PHE 120 H 0.11 0.49 -0.18 -0.55 8.34 8.20 1fnpM1 PHE 120 HA -0.10 -0.02 0.42 -0.75 4.62 4.17 1fnpM1 PHE 120 HB2 0.13 0.18 0.17 -0.04 3.15 3.59 1fnpM1 PHE 120 HB3 0.08 0.04 0.10 -0.04 3.06 3.24 1fnpM1 PHE 120 HD2 0.07 -0.02 -0.10 -0.04 7.28 7.20 1fnpM1 PHE 120 HE2 0.17 -0.02 -0.05 -0.04 7.38 7.43 1fnpM1 PHE 120 HZ 0.16 -0.01 -0.03 -0.04 7.32 7.40 1fnpM1 MET 121 H 0.06 0.56 -0.04 -0.55 8.47 8.51 1fnpM1 MET 121 HA -0.34 -0.01 0.46 -0.75 4.52 3.88 1fnpM1 MET 121 HB2 -1.18 0.05 0.13 -0.04 2.15 1.11 1fnpM1 MET 121 HB3 -0.15 0.15 0.16 -0.04 2.03 2.14 1fnpM1 MET 121 HG2 -0.22 -0.04 -0.12 -0.04 2.63 2.21 1fnpM1 MET 121 HG3 -1.13 -0.06 0.04 -0.04 2.56 1.38 1fnpM1 MET 121 HE3 -0.77 -0.01 -0.03 -0.04 2.10 1.25 1fnpM1 PHE 122 H 0.16 0.61 -0.20 -0.55 8.34 8.35 1fnpM1 PHE 122 HA 0.47 -0.01 0.31 -0.75 4.62 4.64 1fnpM1 PHE 122 HB2 0.02 0.15 0.15 -0.04 3.15 3.43 1fnpM1 PHE 122 HB3 -0.13 0.15 0.19 -0.04 3.06 3.23 1fnpM1 PHE 122 HD2 -0.10 0.03 -0.14 -0.04 7.28 7.03 1fnpM1 PHE 122 HE2 -0.48 -0.01 -0.03 -0.04 7.38 6.82 1fnpM1 PHE 122 HZ -0.41 -0.01 -0.02 -0.04 7.32 6.84 1fnpM1 VAL 123 H 0.00 0.49 -0.13 -0.55 8.24 8.06 1fnpM1 VAL 123 HA 0.17 0.03 0.57 -0.75 4.13 4.15 1fnpM1 VAL 123 HB -0.18 0.04 0.10 -0.04 2.12 2.04 1fnpM1 VAL 123 HG13 -0.05 0.05 0.07 -0.04 0.97 1.00 1fnpM1 VAL 123 HG23 0.09 -0.03 -0.01 -0.04 0.95 0.96 1fnpM1 ALA 124 H 0.00 0.49 -0.23 -0.55 8.40 8.12 1fnpM1 ALA 124 HA 0.07 -0.04 0.45 -0.75 4.34 4.07 1fnpM1 ALA 124 HB3 -0.10 0.03 0.08 -0.04 1.41 1.38 1fnpM1 VAL 125 H -0.19 0.52 -0.19 -0.55 8.24 7.82 1fnpM1 VAL 125 HA -0.21 0.05 0.40 -0.75 4.13 3.61 1fnpM1 VAL 125 HB -0.93 0.11 0.12 -0.04 2.12 1.38 1fnpM1 VAL 125 HG13 -1.24 -0.02 -0.11 -0.04 0.97 -0.44 1fnpM1 VAL 125 HG23 -0.96 0.05 0.00 -0.04 0.95 0.00 1fnpM1 TRP 126 H -0.01 0.49 -0.01 -0.55 7.97 7.89 1fnpM1 TRP 126 HA 0.00 0.04 0.38 -0.75 4.62 4.29 1fnpM1 TRP 126 HB2 -0.16 0.15 0.18 -0.04 3.23 3.36 1fnpM1 TRP 126 HB3 -0.03 -0.05 0.03 -0.04 3.23 3.14 1fnpM1 TRP 126 HD1 -1.33 0.27 0.11 -0.04 7.22 6.22 1fnpM1 TRP 126 HE1 -0.74 0.02 0.01 -0.04 10.20 9.45 1fnpM1 TRP 126 HE3 -0.19 -0.08 0.06 -0.04 7.59 7.34 1fnpM1 TRP 126 HZ2 -0.10 0.03 -0.02 -0.04 7.44 7.31 1fnpM1 TRP 126 HZ3 -1.03 -0.02 -0.00 -0.04 7.13 6.03 1fnpM1 TRP 126 HH2 -0.29 0.01 -0.01 -0.04 7.19 6.85 1fnpM1 SER 127 H 0.22 0.48 -0.26 -0.55 8.46 8.35 1fnpM1 SER 127 HA 0.21 0.02 0.56 -0.75 4.49 4.53 1fnpM1 SER 127 HB2 0.14 -0.09 0.10 -0.04 3.95 4.06 1fnpM1 SER 127 HB3 0.16 0.03 0.12 -0.04 3.93 4.21 1fnpM1 TRP 128 H 0.34 0.47 -0.16 -0.55 7.97 8.06 1fnpM1 TRP 128 HA 0.03 -0.04 0.36 -0.75 4.62 4.21 1fnpM1 TRP 128 HB2 -0.01 0.19 0.21 -0.04 3.23 3.57 1fnpM1 TRP 128 HB3 0.08 0.16 0.13 -0.04 3.23 3.55 1fnpM1 TRP 128 HD1 -0.09 0.02 -0.17 -0.04 7.22 6.94 1fnpM1 TRP 128 HE1 -0.27 -0.01 -0.03 -0.04 10.20 9.86 1fnpM1 TRP 128 HE3 -0.02 -0.01 0.02 -0.04 7.59 7.53 1fnpM1 TRP 128 HZ2 -0.11 0.01 -0.01 -0.04 7.44 7.29 1fnpM1 TRP 128 HZ3 -0.03 0.02 0.01 -0.04 7.13 7.09 1fnpM1 TRP 128 HH2 -0.05 0.02 -0.00 -0.04 7.19 7.11 1fnpM1 TRP 129 H 0.43 0.43 -0.37 -0.55 7.97 7.91 1fnpM1 TRP 129 HA 0.39 0.04 0.53 -0.75 4.62 4.82 1fnpM1 TRP 129 HB2 -0.31 0.07 0.06 -0.04 3.23 3.01 1fnpM1 TRP 129 HB3 0.08 0.15 0.13 -0.04 3.23 3.55 1fnpM1 TRP 129 HD1 -0.14 -0.03 -0.06 -0.04 7.22 6.95 1fnpM1 TRP 129 HE1 0.15 0.45 0.12 -0.04 10.20 10.88 1fnpM1 TRP 129 HE3 0.27 0.11 -0.06 -0.04 7.59 7.87 1fnpM1 TRP 129 HZ2 0.44 -0.01 -0.06 -0.04 7.44 7.76 1fnpM1 TRP 129 HZ3 0.08 0.00 -0.01 -0.04 7.13 7.16 1fnpM1 TRP 129 HH2 0.18 0.00 -0.02 -0.04 7.19 7.31 1fnpM1 GLY 130 H 0.32 0.55 -0.05 -0.55 8.43 8.71 1fnpM1 GLY 130 HA2 -0.43 0.02 0.56 -0.51 4.01 3.65 1fnpM1 GLY 130 HA3 0.03 0.08 0.38 -0.51 4.01 3.99 1fnpM1 ARG 131 H -0.14 0.62 -0.22 -0.55 8.46 8.17 1fnpM1 ARG 131 HA -0.23 -0.07 0.44 -0.75 4.34 3.72 1fnpM1 ARG 131 HB2 -0.27 -0.03 -0.01 -0.04 1.90 1.55 1fnpM1 ARG 131 HB3 -0.63 0.28 0.13 -0.04 1.80 1.53 1fnpM1 ARG 131 HG2 -0.61 0.05 -0.16 -0.04 1.67 0.91 1fnpM1 ARG 131 HG3 -0.32 -0.13 0.03 -0.04 1.67 1.21 1fnpM1 ARG 131 HD2 -0.40 -0.10 -0.12 -0.04 3.22 2.57 1fnpM1 ARG 131 HD3 -1.51 0.09 -0.01 -0.04 3.22 1.74 1fnpM1 THR 132 H -0.38 0.43 -0.27 -0.55 8.28 7.51 1fnpM1 THR 132 HA -0.37 0.02 0.41 -0.75 4.39 3.70 1fnpM1 THR 132 HB -0.29 0.20 0.22 -0.04 4.32 4.40 1fnpM1 THR 132 HG23 -0.24 -0.02 -0.25 -0.04 1.22 0.67 1fnpM1 TYR 133 H -0.52 0.45 -0.20 -0.55 8.29 7.47 1fnpM1 TYR 133 HA -0.53 -0.02 0.42 -0.75 4.56 3.68 1fnpM1 TYR 133 HB2 -1.11 0.05 0.15 -0.04 3.06 2.10 1fnpM1 TYR 133 HB3 -0.56 0.14 0.20 -0.04 2.98 2.72 1fnpM1 TYR 133 HD2 -0.49 0.01 -0.19 -0.04 7.15 6.43 1fnpM1 TYR 133 HE2 -0.14 0.00 -0.02 -0.04 6.85 6.65 1fnpM1 LEU 134 H -0.18 0.60 -0.05 -0.55 8.37 8.19 1fnpM1 LEU 134 HA -0.03 0.02 0.34 -0.75 4.35 3.93 1fnpM1 LEU 134 HB2 -0.16 0.04 0.19 -0.04 1.64 1.67 1fnpM1 LEU 134 HB3 -0.12 -0.05 0.04 -0.04 1.64 1.47 1fnpM1 LEU 134 HG -0.09 0.14 0.11 -0.04 1.64 1.75 1fnpM1 LEU 134 HD13 -0.06 -0.03 -0.04 -0.04 0.93 0.76 1fnpM1 LEU 134 HD23 -0.02 -0.01 0.02 -0.04 0.89 0.84 1fnpM1 ARG 135 H -0.28 0.66 -0.04 -0.55 8.46 8.25 1fnpM1 ARG 135 HA -0.34 -0.03 0.44 -0.75 4.34 3.65 1fnpM1 ARG 135 HB2 -0.32 0.36 0.18 -0.04 1.90 2.07 1fnpM1 ARG 135 HB3 -0.27 0.00 -0.10 -0.04 1.80 1.39 1fnpM1 ARG 135 HG2 -0.29 0.00 0.02 -0.04 1.67 1.37 1fnpM1 ARG 135 HG3 -0.33 -0.03 0.08 -0.04 1.67 1.34 1fnpM1 ARG 135 HD2 -0.35 0.11 0.07 -0.04 3.22 3.00 1fnpM1 ARG 135 HD3 -0.33 0.00 0.03 -0.04 3.22 2.88 1fnpM1 ALA 136 H -0.29 0.33 -0.63 -0.55 8.40 7.26 1fnpM1 ALA 136 HA -0.21 0.05 0.66 -0.75 4.34 4.08 1fnpM1 ALA 136 HB3 -0.33 0.07 0.01 -0.04 1.41 1.12 1fnpM1 GLN 137 H -0.25 0.38 0.07 -0.55 8.47 8.13 1fnpM1 GLN 137 HA -0.15 0.09 0.53 -0.75 4.36 4.07 1fnpM1 GLN 137 HB2 -0.10 0.04 0.13 -0.04 2.15 2.17 1fnpM1 GLN 137 HB3 -0.07 0.05 0.16 -0.04 2.02 2.12 1fnpM1 GLN 137 HG2 -0.03 0.01 -0.07 -0.04 2.40 2.26 1fnpM1 GLN 137 HG3 -0.04 -0.00 0.06 -0.04 2.39 2.37 1fnpM1 GLN 137 HE21 0.13 -0.02 -0.01 -0.04 6.97 7.03 1fnpM1 GLN 137 HE22 0.09 0.00 -0.00 -0.04 7.69 7.75 1fnpM1 ALA 138 H -0.16 0.51 -0.14 -0.55 8.40 8.06 1fnpM1 ALA 138 HA -0.09 0.05 0.32 -0.75 4.34 3.87 1fnpM1 ALA 138 HB3 -0.17 0.02 -0.00 -0.04 1.41 1.22 1fnpM1 LEU 139 H -0.14 0.23 -0.35 -0.55 8.37 7.56 1fnpM1 LEU 139 HA -0.08 0.04 0.46 -0.75 4.35 4.02 1fnpM1 LEU 139 HB2 -0.12 0.04 0.14 -0.04 1.64 1.66 1fnpM1 LEU 139 HB3 -0.09 -0.05 0.14 -0.04 1.64 1.59 1fnpM1 LEU 139 HG -0.13 -0.02 -0.01 -0.04 1.64 1.44 1fnpM1 LEU 139 HD13 -0.12 0.01 0.05 -0.04 0.93 0.83 1fnpM1 LEU 139 HD23 -0.07 0.00 -0.10 -0.04 0.89 0.68 1fnpM1 GLY 140 H -0.10 0.32 -0.55 -0.55 8.43 7.55 1fnpM1 GLY 140 HA2 -0.07 0.04 0.32 -0.51 4.01 3.79 1fnpM1 GLY 140 HA3 -0.06 0.01 0.52 -0.51 4.01 3.97 1fnpM1 MET 141 H -0.12 0.34 -0.13 -0.55 8.47 8.01 1fnpM1 MET 141 HA -0.07 0.06 0.55 -0.75 4.52 4.30 1fnpM1 MET 141 HB2 -0.14 0.02 0.04 -0.04 2.15 2.03 1fnpM1 MET 141 HB3 -0.10 -0.10 0.09 -0.04 2.03 1.88 1fnpM1 MET 141 HG2 -0.08 -0.01 -0.03 -0.04 2.63 2.47 1fnpM1 MET 141 HG3 -0.10 0.05 -0.15 -0.04 2.56 2.32 1fnpM1 MET 141 HE3 -0.09 -0.01 0.01 -0.04 2.10 1.97 1fnpM1 GLY 142 H -0.03 0.06 0.16 -0.55 8.43 8.06 1fnpM1 GLY 142 HA2 -0.07 0.15 0.40 -0.51 4.01 3.98 1fnpM1 GLY 142 HA3 0.13 -0.02 0.35 -0.51 4.01 3.96 1fnpM1 LYS 143 H -0.28 0.18 0.14 -0.55 8.42 7.90 1fnpM1 LYS 143 HA -0.55 0.25 0.42 -0.75 4.32 3.69 1fnpM1 LYS 143 HB2 -0.68 0.02 0.12 -0.04 1.87 1.29 1fnpM1 LYS 143 HB3 -1.26 -0.04 0.18 -0.04 1.79 0.63 1fnpM1 LYS 143 HG2 -0.41 0.01 0.00 -0.04 1.46 1.02 1fnpM1 LYS 143 HG3 -0.64 0.03 0.02 -0.04 1.46 0.83 1fnpM1 LYS 143 HD2 -2.29 -0.01 0.01 -0.04 1.69 -0.64 1fnpM1 LYS 143 HD3 -1.00 -0.05 -0.01 -0.04 1.68 0.58 1fnpM1 LYS 143 HE2 -0.54 -0.04 -0.12 -0.04 2.99 2.24 1fnpM1 LYS 143 HE3 -0.42 0.21 -0.34 -0.04 2.99 2.40 1fnpM1 HIS 144 H -0.04 0.20 -0.48 -0.55 8.41 7.55 1fnpM1 HIS 144 HA -0.05 0.06 0.19 -0.75 4.63 4.07 1fnpM1 HIS 144 HB2 -0.12 0.03 0.05 -0.04 3.26 3.18 1fnpM1 HIS 144 HB3 -0.08 0.05 -0.02 -0.04 3.20 3.11 1fnpM1 HIS 144 HD2 -0.04 0.04 -0.01 -0.04 6.97 6.92 1fnpM1 HIS 144 HE1 -0.03 0.03 0.03 -0.04 7.75 7.74 1fnpM1 THR 145 H -0.11 0.19 -0.12 -0.55 8.28 7.69 1fnpM1 THR 145 HA -0.04 0.06 0.40 -0.75 4.39 4.06 1fnpM1 THR 145 HB -0.18 0.07 0.06 -0.04 4.32 4.22 1fnpM1 THR 145 HG23 -0.12 0.01 -0.03 -0.04 1.22 1.04 1fnpM1 ALA 146 H -0.38 0.24 -0.35 -0.55 8.40 7.36 1fnpM1 ALA 146 HA -0.06 0.06 0.22 -0.75 4.34 3.80 1fnpM1 ALA 146 HB3 -0.71 0.04 0.01 -0.04 1.41 0.71 1fnpM1 TRP 147 H -0.27 0.38 -0.09 -0.55 7.97 7.45 1fnpM1 TRP 147 HA 0.18 0.07 0.57 -0.75 4.62 4.69 1fnpM1 TRP 147 HB2 -0.10 0.05 0.12 -0.04 3.23 3.26 1fnpM1 TRP 147 HB3 -0.08 0.00 -0.01 -0.04 3.23 3.10 1fnpM1 TRP 147 HD1 -0.21 -0.04 -0.10 -0.04 7.22 6.83 1fnpM1 TRP 147 HE1 -0.07 -0.02 -0.03 -0.04 10.20 10.03 1fnpM1 TRP 147 HE3 0.30 0.02 -0.09 -0.04 7.59 7.79 1fnpM1 TRP 147 HZ2 0.16 0.01 -0.01 -0.04 7.44 7.55 1fnpM1 TRP 147 HZ3 0.62 0.02 -0.05 -0.04 7.13 7.68 1fnpM1 TRP 147 HH2 0.35 0.02 -0.02 -0.04 7.19 7.49 1fnpM1 ALA 148 H 0.14 0.64 0.06 -0.55 8.40 8.69 1fnpM1 ALA 148 HA 0.04 0.02 0.46 -0.75 4.34 4.11 1fnpM1 ALA 148 HB3 0.02 0.02 0.11 -0.04 1.41 1.52 1fnpM1 PHE 149 H 0.32 0.41 -0.35 -0.55 8.34 8.17 1fnpM1 PHE 149 HA 0.07 0.01 0.38 -0.75 4.62 4.33 1fnpM1 PHE 149 HB2 0.09 0.07 0.10 -0.04 3.15 3.37 1fnpM1 PHE 149 HB3 0.28 0.11 0.10 -0.04 3.06 3.51 1fnpM1 PHE 149 HD2 0.14 -0.02 0.05 -0.04 7.28 7.41 1fnpM1 PHE 149 HE2 0.08 -0.01 -0.13 -0.04 7.38 7.28 1fnpM1 PHE 149 HZ -0.13 0.02 -0.04 -0.04 7.32 7.12 1fnpM1 LEU 150 H 0.41 0.41 -0.17 -0.55 8.37 8.47 1fnpM1 LEU 150 HA -0.29 -0.01 0.52 -0.75 4.35 3.82 1fnpM1 LEU 150 HB2 0.45 0.11 0.23 -0.04 1.64 2.38 1fnpM1 LEU 150 HB3 0.24 0.16 0.20 -0.04 1.64 2.20 1fnpM1 LEU 150 HG -0.03 -0.03 -0.02 -0.04 1.64 1.51 1fnpM1 LEU 150 HD13 -0.41 -0.01 0.05 -0.04 0.93 0.52 1fnpM1 LEU 150 HD23 0.09 -0.01 0.01 -0.04 0.89 0.94 1fnpM1 SER 151 H 0.12 0.40 -0.34 -0.55 8.46 8.09 1fnpM1 SER 151 HA 0.12 0.01 0.31 -0.75 4.49 4.18 1fnpM1 SER 151 HB2 0.05 -0.02 0.12 -0.04 3.95 4.05 1fnpM1 SER 151 HB3 0.09 0.23 0.19 -0.04 3.93 4.40 1fnpM1 ALA 152 H 0.13 0.33 -0.06 -0.55 8.40 8.25 1fnpM1 ALA 152 HA 0.12 0.02 0.65 -0.75 4.34 4.38 1fnpM1 ALA 152 HB3 0.16 0.03 0.10 -0.04 1.41 1.66 1fnpM1 ILE 153 H -0.15 0.53 -0.17 -0.55 8.25 7.92 1fnpM1 ILE 153 HA -0.17 -0.01 0.39 -0.75 4.18 3.63 1fnpM1 ILE 153 HB -0.43 0.17 0.25 -0.04 1.89 1.84 1fnpM1 ILE 153 HG12 -1.17 -0.06 -0.02 -0.04 1.49 0.20 1fnpM1 ILE 153 HG13 -1.07 -0.00 0.01 -0.04 1.21 0.11 1fnpM1 ILE 153 HG23 -0.59 -0.02 -0.10 -0.04 0.93 0.18 1fnpM1 ILE 153 HD13 -1.28 -0.01 -0.15 -0.04 0.88 -0.60 1fnpM1 TRP 154 H 0.23 0.40 -0.29 -0.55 7.97 7.76 1fnpM1 TRP 154 HA 0.04 -0.02 0.29 -0.75 4.62 4.17 1fnpM1 TRP 154 HB2 0.00 -0.01 0.10 -0.04 3.23 3.29 1fnpM1 TRP 154 HB3 0.02 0.29 0.22 -0.04 3.23 3.71 1fnpM1 TRP 154 HD1 0.03 0.21 0.22 -0.04 7.22 7.63 1fnpM1 TRP 154 HE1 -0.01 0.09 -0.01 -0.04 10.20 10.22 1fnpM1 TRP 154 HE3 0.05 -0.02 0.02 -0.04 7.59 7.60 1fnpM1 TRP 154 HZ2 -0.03 -0.00 -0.13 -0.04 7.44 7.24 1fnpM1 TRP 154 HZ3 0.05 -0.01 -0.03 -0.04 7.13 7.11 1fnpM1 TRP 154 HH2 0.02 0.02 -0.04 -0.04 7.19 7.15 1fnpM1 LEU 155 H 0.16 0.36 -0.03 -0.55 8.37 8.31 1fnpM1 LEU 155 HA -0.33 -0.01 0.37 -0.75 4.35 3.63 1fnpM1 LEU 155 HB2 0.08 0.09 0.24 -0.04 1.64 2.01 1fnpM1 LEU 155 HB3 0.07 0.05 0.07 -0.04 1.64 1.79 1fnpM1 LEU 155 HG 0.03 -0.06 0.01 -0.04 1.64 1.57 1fnpM1 LEU 155 HD13 0.06 -0.00 -0.04 -0.04 0.93 0.90 1fnpM1 LEU 155 HD23 -0.09 -0.01 -0.04 -0.04 0.89 0.71 1fnpM1 TRP 156 H 0.21 0.42 -0.23 -0.55 7.97 7.82 1fnpM1 TRP 156 HA -0.08 0.01 0.42 -0.75 4.62 4.22 1fnpM1 TRP 156 HB2 -0.10 -0.03 0.08 -0.04 3.23 3.14 1fnpM1 TRP 156 HB3 -0.16 0.14 0.18 -0.04 3.23 3.35 1fnpM1 TRP 156 HD1 -0.10 -0.00 -0.01 -0.04 7.22 7.08 1fnpM1 TRP 156 HE1 -0.18 -0.00 -0.06 -0.04 10.20 9.92 1fnpM1 TRP 156 HE3 -0.35 0.19 0.08 -0.04 7.59 7.46 1fnpM1 TRP 156 HZ2 -0.19 -0.02 -0.21 -0.04 7.44 6.98 1fnpM1 TRP 156 HZ3 -0.83 -0.03 -0.01 -0.04 7.13 6.22 1fnpM1 TRP 156 HH2 -0.52 0.00 0.03 -0.04 7.19 6.66 1fnpM1 MET 157 H 0.11 0.81 -0.01 -0.55 8.47 8.83 1fnpM1 MET 157 HA -0.68 -0.03 0.32 -0.75 4.52 3.38 1fnpM1 MET 157 HB2 0.17 0.17 0.10 -0.04 2.15 2.55 1fnpM1 MET 157 HB3 0.08 0.08 0.15 -0.04 2.03 2.30 1fnpM1 MET 157 HG2 0.35 -0.02 -0.01 -0.04 2.63 2.91 1fnpM1 MET 157 HG3 0.18 -0.08 0.01 -0.04 2.56 2.63 1fnpM1 MET 157 HE3 0.11 -0.00 -0.01 -0.04 2.10 2.16 1fnpM1 VAL 158 H -0.31 0.61 -0.15 -0.55 8.24 7.85 1fnpM1 VAL 158 HA -0.20 -0.12 0.43 -0.75 4.13 3.49 1fnpM1 VAL 158 HB -0.48 0.12 0.22 -0.04 2.12 1.93 1fnpM1 VAL 158 HG13 -0.25 0.03 -0.09 -0.04 0.97 0.62 1fnpM1 VAL 158 HG23 -1.25 0.03 0.03 -0.04 0.95 -0.27 1fnpM1 LEU 159 H -0.18 0.56 0.00 -0.55 8.37 8.21 1fnpM1 LEU 159 HA -0.03 0.05 0.23 -0.75 4.35 3.85 1fnpM1 LEU 159 HB2 -0.13 0.08 0.18 -0.04 1.64 1.72 1fnpM1 LEU 159 HB3 -0.19 -0.04 -0.00 -0.04 1.64 1.37 1fnpM1 LEU 159 HG -0.09 0.06 0.09 -0.04 1.64 1.66 1fnpM1 LEU 159 HD13 -0.03 -0.03 -0.05 -0.04 0.93 0.78 1fnpM1 LEU 159 HD23 -0.04 -0.01 0.01 -0.04 0.89 0.82 1fnpM1 GLY 160 H -0.21 0.35 -0.21 -0.55 8.43 7.82 1fnpM1 GLY 160 HA2 0.10 0.12 0.86 -0.51 4.01 4.58 1fnpM1 GLY 160 HA3 -0.08 -0.03 0.30 -0.51 4.01 3.70 1fnpM1 PHE 161 H 0.08 0.27 -0.09 -0.55 8.34 8.05 1fnpM1 PHE 161 HA 0.34 0.18 0.96 -0.75 4.62 5.35 1fnpM1 PHE 161 HB2 -0.04 -0.05 -0.12 -0.04 3.15 2.90 1fnpM1 PHE 161 HB3 0.00 0.06 0.25 -0.04 3.06 3.32 1fnpM1 PHE 161 HD2 0.14 0.03 -0.05 -0.04 7.28 7.35 1fnpM1 PHE 161 HE2 0.09 -0.02 -0.04 -0.04 7.38 7.38 1fnpM1 PHE 161 HZ 0.08 -0.03 -0.03 -0.04 7.32 7.30 1fnpM1 ILE 162 H 0.20 0.52 0.25 -0.55 8.25 8.67 1fnpM1 ILE 162 HA 0.07 0.00 0.24 -0.75 4.18 3.74 1fnpM1 ILE 162 HB -0.03 -0.01 0.12 -0.04 1.89 1.93 1fnpM1 ILE 162 HG12 0.27 -0.01 0.01 -0.04 1.49 1.72 1fnpM1 ILE 162 HG13 0.29 0.02 -0.02 -0.04 1.21 1.46 1fnpM1 ILE 162 HG23 0.06 0.00 -0.10 -0.04 0.93 0.85 1fnpM1 ILE 162 HD13 0.22 -0.01 -0.06 -0.04 0.88 1.00 1fnpM1 ARG 163 H 0.01 0.50 -0.01 -0.55 8.46 8.40 1fnpM1 ARG 163 HA 0.00 0.04 0.48 -0.75 4.34 4.11 1fnpM1 ARG 163 HB2 -0.00 -0.13 -0.01 -0.04 1.90 1.72 1fnpM1 ARG 163 HB3 0.07 0.17 -0.01 -0.04 1.80 1.99 1fnpM1 ARG 163 HG2 0.10 -0.04 -0.16 -0.04 1.67 1.52 1fnpM1 ARG 163 HG3 0.06 0.01 -0.01 -0.04 1.67 1.70 1fnpM1 ARG 163 HD2 0.13 0.01 -0.13 -0.04 3.22 3.20 1fnpM1 ARG 163 HD3 0.21 0.00 -0.09 -0.04 3.22 3.31 1fnpM1 PRO 164 HA -0.01 0.09 0.50 -0.51 4.44 4.50 1fnpM1 PRO 164 HB2 0.16 0.07 -0.09 -0.04 2.28 2.38 1fnpM1 PRO 164 HB3 0.18 0.03 0.05 -0.04 2.02 2.24 1fnpM1 PRO 164 HG2 0.29 0.09 -0.42 -0.04 2.03 1.95 1fnpM1 PRO 164 HG3 0.19 0.05 -0.29 -0.04 2.03 1.94 1fnpM1 PRO 164 HD2 0.10 -0.13 -0.54 -0.04 3.68 3.07 1fnpM1 PRO 164 HD3 0.10 0.24 -0.18 -0.04 3.65 3.78 1fnpM1 ILE 165 H -0.16 0.40 -0.54 -0.55 8.25 7.40 1fnpM1 ILE 165 HA -0.46 0.01 0.35 -0.75 4.18 3.33 1fnpM1 ILE 165 HB -0.21 0.16 0.10 -0.04 1.89 1.91 1fnpM1 ILE 165 HG12 -0.53 -0.06 -0.02 -0.04 1.49 0.84 1fnpM1 ILE 165 HG13 -0.56 0.09 -0.07 -0.04 1.21 0.63 1fnpM1 ILE 165 HG23 -0.17 -0.03 -0.10 -0.04 0.93 0.59 1fnpM1 ILE 165 HD13 -0.70 -0.04 -0.09 -0.04 0.88 0.01 1fnpM1 LEU 166 H -0.08 0.38 -0.01 -0.55 8.37 8.11 1fnpM1 LEU 166 HA -0.07 0.04 0.57 -0.75 4.35 4.15 1fnpM1 LEU 166 HB2 -0.02 0.11 0.10 -0.04 1.64 1.79 1fnpM1 LEU 166 HB3 -0.01 -0.03 0.13 -0.04 1.64 1.69 1fnpM1 LEU 166 HG -0.01 0.22 0.11 -0.04 1.64 1.91 1fnpM1 LEU 166 HD13 0.03 -0.02 0.00 -0.04 0.93 0.90 1fnpM1 LEU 166 HD23 -0.01 -0.03 -0.02 -0.04 0.89 0.78 1fnpM1 MET 167 H -0.09 0.23 -0.47 -0.55 8.47 7.59 1fnpM1 MET 167 HA -0.04 0.18 0.87 -0.75 4.52 4.77 1fnpM1 MET 167 HB2 -0.05 0.03 -0.02 -0.04 2.15 2.07 1fnpM1 MET 167 HB3 -0.03 -0.07 0.06 -0.04 2.03 1.95 1fnpM1 MET 167 HG2 0.01 0.24 -0.07 -0.04 2.63 2.77 1fnpM1 MET 167 HG3 0.06 -0.06 -0.08 -0.04 2.56 2.43 1fnpM1 MET 167 HE3 0.03 -0.05 0.05 -0.04 2.10 2.08 1fnpM1 GLY 168 H -0.18 0.17 -0.29 -0.55 8.43 7.58 1fnpM1 GLY 168 HA2 -0.24 0.02 0.29 -0.51 4.01 3.56 1fnpM1 GLY 168 HA3 -0.15 0.02 0.35 -0.51 4.01 3.73 1fnpM1 SER 169 H -0.31 0.67 0.05 -0.55 8.46 8.33 1fnpM1 SER 169 HA -0.28 0.03 0.45 -0.75 4.49 3.93 1fnpM1 SER 169 HB2 -0.10 0.21 -0.28 -0.04 3.95 3.74 1fnpM1 SER 169 HB3 -0.08 0.03 -0.19 -0.04 3.93 3.66 1fnpM1 TRP 170 H -0.10 0.53 0.11 -0.55 7.97 7.96 1fnpM1 TRP 170 HA -0.10 0.11 0.52 -0.75 4.62 4.40 1fnpM1 TRP 170 HB2 -0.15 0.09 0.07 -0.04 3.23 3.20 1fnpM1 TRP 170 HB3 -0.26 -0.05 0.12 -0.04 3.23 3.00 1fnpM1 TRP 170 HD1 -0.12 0.13 -0.02 -0.04 7.22 7.17 1fnpM1 TRP 170 HE1 -0.57 0.03 -0.48 -0.04 10.20 9.13 1fnpM1 TRP 170 HE3 0.06 0.03 0.02 -0.04 7.59 7.67 1fnpM1 TRP 170 HZ2 -0.25 -0.02 -0.07 -0.04 7.44 7.07 1fnpM1 TRP 170 HZ3 -0.10 0.08 0.07 -0.04 7.13 7.13 1fnpM1 TRP 170 HH2 -0.31 -0.06 -0.03 -0.04 7.19 6.75 1fnpM1 SER 171 H 0.01 0.04 -0.34 -0.55 8.46 7.62 1fnpM1 SER 171 HA -0.12 0.14 0.39 -0.75 4.49 4.15 1fnpM1 SER 171 HB2 0.00 -0.04 0.03 -0.04 3.95 3.90 1fnpM1 SER 171 HB3 0.01 0.11 -0.08 -0.04 3.93 3.92 1fnpM1 GLU 172 H 0.05 0.19 -0.49 -0.55 8.60 7.81 1fnpM1 GLU 172 HA 0.21 0.07 0.42 -0.75 4.29 4.24 1fnpM1 GLU 172 HB2 0.09 0.11 0.00 -0.04 2.09 2.25 1fnpM1 GLU 172 HB3 0.21 0.00 -0.01 -0.04 1.99 2.15 1fnpM1 GLU 172 HG2 0.03 -0.12 -0.10 -0.04 2.34 2.11 1fnpM1 GLU 172 HG3 0.04 0.04 -0.05 -0.04 2.34 2.33 1fnpM1 ALA 173 H 0.03 0.20 -0.60 -0.55 8.40 7.49 1fnpM1 ALA 173 HA 0.13 0.26 0.57 -0.75 4.34 4.55 1fnpM1 ALA 173 HB3 0.10 -0.01 0.12 -0.04 1.41 1.58 1fnpM1 VAL 174 H -0.20 0.09 0.13 -0.55 8.24 7.71 1fnpM1 VAL 174 HA -1.26 0.13 0.52 -0.75 4.13 2.77 1fnpM1 VAL 174 HB -0.34 -0.07 0.10 -0.04 2.12 1.76 1fnpM1 VAL 174 HG13 -0.40 0.05 0.04 -0.04 0.97 0.62 1fnpM1 VAL 174 HG23 -1.42 0.02 0.01 -0.04 0.95 -0.49 1fnpM1 PRO 175 HA 0.08 0.19 0.71 -0.51 4.44 4.92 1fnpM1 PRO 175 HB2 0.14 -0.06 -0.21 -0.04 2.28 2.11 1fnpM1 PRO 175 HB3 0.03 0.03 0.05 -0.04 2.02 2.09 1fnpM1 PRO 175 HG2 0.12 -0.13 -0.25 -0.04 2.03 1.73 1fnpM1 PRO 175 HG3 0.16 0.05 -0.08 -0.04 2.03 2.12 1fnpM1 PRO 175 HD2 -0.36 0.01 0.20 -0.04 3.68 3.49 1fnpM1 PRO 175 HD3 -0.13 0.34 0.18 -0.04 3.65 4.00 1fnpM1 TYR 176 H 0.23 0.59 0.22 -0.55 8.29 8.78 1fnpM1 TYR 176 HA 0.17 0.15 0.80 -0.75 4.56 4.93 1fnpM1 TYR 176 HB2 0.16 -0.08 0.27 -0.04 3.06 3.36 1fnpM1 TYR 176 HB3 0.03 -0.02 0.06 -0.04 2.98 3.00 1fnpM1 TYR 176 HD2 0.18 -0.03 -0.01 -0.04 7.15 7.25 1fnpM1 TYR 176 HE2 -0.31 0.02 -0.04 -0.04 6.85 6.48 1fnpM1 GLY 177 H 0.20 0.38 0.14 -0.55 8.43 8.60 1fnpM1 GLY 177 HA2 0.38 0.08 0.31 -0.51 4.01 4.27 1fnpM1 GLY 177 HA3 0.25 0.16 0.47 -0.51 4.01 4.38 1fnpM1 ILE 178 H 0.12 0.28 0.17 -0.55 8.25 8.27 1fnpM1 ILE 178 HA 0.18 0.10 0.49 -0.75 4.18 4.20 1fnpM1 ILE 178 HB -0.05 0.02 0.31 -0.04 1.89 2.13 1fnpM1 ILE 178 HG12 0.04 0.01 0.03 -0.04 1.49 1.53 1fnpM1 ILE 178 HG13 0.09 -0.00 0.01 -0.04 1.21 1.26 1fnpM1 ILE 178 HG23 -0.06 0.01 -0.06 -0.04 0.93 0.77 1fnpM1 ILE 178 HD13 0.19 -0.00 0.02 -0.04 0.88 1.04 1fnpM1 PHE 179 H 0.01 0.64 0.24 -0.55 8.34 8.67 1fnpM1 PHE 179 HA -0.01 0.06 0.41 -0.75 4.62 4.32 1fnpM1 PHE 179 HB2 -0.20 0.26 0.17 -0.04 3.15 3.33 1fnpM1 PHE 179 HB3 -0.13 -0.03 0.04 -0.04 3.06 2.90 1fnpM1 PHE 179 HD2 -0.58 0.01 -0.13 -0.04 7.28 6.54 1fnpM1 PHE 179 HE2 -0.40 0.01 -0.03 -0.04 7.38 6.92 1fnpM1 PHE 179 HZ -0.14 0.01 -0.01 -0.04 7.32 7.14 1fnpM1 SER 180 H 0.21 0.14 -0.32 -0.55 8.46 7.95 1fnpM1 SER 180 HA 0.18 0.05 0.20 -0.75 4.49 4.16 1fnpM1 SER 180 HB2 0.18 0.03 -0.06 -0.04 3.95 4.06 1fnpM1 SER 180 HB3 0.17 0.11 -0.05 -0.04 3.93 4.12 1fnpM1 HIS 181 H 0.34 0.40 -0.23 -0.55 8.41 8.38 1fnpM1 HIS 181 HA 0.13 0.07 0.42 -0.75 4.63 4.50 1fnpM1 HIS 181 HB2 -0.01 0.04 0.15 -0.04 3.26 3.40 1fnpM1 HIS 181 HB3 0.11 0.14 0.21 -0.04 3.20 3.62 1fnpM1 HIS 181 HD2 0.04 -0.01 -0.01 -0.04 6.97 6.94 1fnpM1 HIS 181 HE1 0.10 -0.06 0.01 -0.04 7.75 7.76 1fnpM1 LEU 182 H 0.12 0.27 -0.44 -0.55 8.37 7.78 1fnpM1 LEU 182 HA -0.16 0.04 0.55 -0.75 4.35 4.03 1fnpM1 LEU 182 HB2 0.04 0.25 0.21 -0.04 1.64 2.10 1fnpM1 LEU 182 HB3 -0.04 -0.07 0.04 -0.04 1.64 1.52 1fnpM1 LEU 182 HG 0.08 0.27 0.11 -0.04 1.64 2.05 1fnpM1 LEU 182 HD13 0.07 -0.03 0.00 -0.04 0.93 0.92 1fnpM1 LEU 182 HD23 -0.12 -0.02 0.01 -0.04 0.89 0.72 1fnpM1 ASP 183 H 0.11 0.55 0.03 -0.55 8.40 8.54 1fnpM1 ASP 183 HA 0.04 -0.05 0.37 -0.75 4.63 4.24 1fnpM1 ASP 183 HB2 0.14 0.16 0.21 -0.04 2.71 3.18 1fnpM1 ASP 183 HB3 0.09 -0.04 0.04 -0.04 2.70 2.74 1fnpM1 TRP 184 H 0.33 0.64 -0.16 -0.55 7.97 8.23 1fnpM1 TRP 184 HA 0.07 0.01 0.30 -0.75 4.62 4.25 1fnpM1 TRP 184 HB2 0.08 0.02 0.09 -0.04 3.23 3.38 1fnpM1 TRP 184 HB3 0.07 0.11 0.13 -0.04 3.23 3.50 1fnpM1 TRP 184 HD1 0.05 -0.02 -0.00 -0.04 7.22 7.21 1fnpM1 TRP 184 HE1 0.07 0.23 -0.32 -0.04 10.20 10.14 1fnpM1 TRP 184 HE3 -0.01 0.05 -0.33 -0.04 7.59 7.26 1fnpM1 TRP 184 HZ2 0.06 0.35 0.01 -0.04 7.44 7.82 1fnpM1 TRP 184 HZ3 -0.28 -0.08 -0.04 -0.04 7.13 6.69 1fnpM1 TRP 184 HH2 -0.48 -0.02 -0.01 -0.04 7.19 6.64 1fnpM1 THR 185 H 0.30 0.38 -0.42 -0.55 8.28 7.99 1fnpM1 THR 185 HA 0.23 0.03 0.30 -0.75 4.39 4.20 1fnpM1 THR 185 HB 0.08 0.15 0.23 -0.04 4.32 4.73 1fnpM1 THR 185 HG23 0.08 -0.04 -0.05 -0.04 1.22 1.18 1fnpM1 ASN 186 H 0.04 0.50 -0.01 -0.55 8.53 8.52 1fnpM1 ASN 186 HA -0.03 -0.03 0.52 -0.75 4.76 4.47 1fnpM1 ASN 186 HB2 -0.02 -0.01 0.12 -0.04 2.88 2.93 1fnpM1 ASN 186 HB3 -0.01 0.13 0.21 -0.04 2.79 3.08 1fnpM1 ASN 186 HD21 -0.04 -0.03 -0.04 -0.04 7.03 6.88 1fnpM1 ASN 186 HD22 -0.02 0.06 -0.01 -0.04 7.74 7.73 1fnpM1 ASN 187 H -0.02 0.76 -0.04 -0.55 8.53 8.68 1fnpM1 ASN 187 HA -0.07 -0.06 0.29 -0.75 4.76 4.16 1fnpM1 ASN 187 HB2 -0.03 0.01 0.08 -0.04 2.88 2.89 1fnpM1 ASN 187 HB3 -0.14 0.17 0.12 -0.04 2.79 2.89 1fnpM1 ASN 187 HD21 -0.06 -0.01 -0.01 -0.04 7.03 6.91 1fnpM1 ASN 187 HD22 -0.04 -0.04 0.00 -0.04 7.74 7.63 1fnpM1 PHE 188 H -0.16 0.57 -0.22 -0.55 8.34 7.98 1fnpM1 PHE 188 HA -0.26 0.06 0.43 -0.75 4.62 4.09 1fnpM1 PHE 188 HB2 -1.14 0.19 0.13 -0.04 3.15 2.30 1fnpM1 PHE 188 HB3 -0.34 0.05 0.12 -0.04 3.06 2.85 1fnpM1 PHE 188 HD2 -0.49 -0.01 -0.13 -0.04 7.28 6.61 1fnpM1 PHE 188 HE2 -0.10 0.01 -0.02 -0.04 7.38 7.24 1fnpM1 PHE 188 HZ -0.21 0.16 0.05 -0.04 7.32 7.28 1fnpM1 SER 189 H 0.04 0.46 -0.13 -0.55 8.46 8.28 1fnpM1 SER 189 HA 0.06 -0.00 0.45 -0.75 4.49 4.24 1fnpM1 SER 189 HB2 -0.05 0.12 0.20 -0.04 3.95 4.17 1fnpM1 SER 189 HB3 -0.07 0.21 0.25 -0.04 3.93 4.27 1fnpM1 LEU 190 H -0.06 0.58 -0.06 -0.55 8.37 8.28 1fnpM1 LEU 190 HA -0.05 -0.08 0.36 -0.75 4.35 3.82 1fnpM1 LEU 190 HB2 -0.07 0.16 0.18 -0.04 1.64 1.87 1fnpM1 LEU 190 HB3 -0.07 0.03 0.02 -0.04 1.64 1.58 1fnpM1 LEU 190 HG -0.05 -0.02 0.03 -0.04 1.64 1.56 1fnpM1 LEU 190 HD13 -0.06 -0.01 0.02 -0.04 0.93 0.84 1fnpM1 LEU 190 HD23 -0.05 0.01 -0.08 -0.04 0.89 0.73 1fnpM1 VAL 191 H -0.15 0.53 -0.23 -0.55 8.24 7.84 1fnpM1 VAL 191 HA -0.19 0.01 0.36 -0.75 4.13 3.56 1fnpM1 VAL 191 HB -0.35 0.15 0.16 -0.04 2.12 2.04 1fnpM1 VAL 191 HG13 -0.55 -0.01 0.04 -0.04 0.97 0.41 1fnpM1 VAL 191 HG23 -0.17 -0.02 0.04 -0.04 0.95 0.75 1fnpM1 HIS 192 H -0.05 0.28 -0.46 -0.55 8.41 7.64 1fnpM1 HIS 192 HA -0.11 0.48 0.97 -0.75 4.63 5.22 1fnpM1 HIS 192 HB2 -0.09 0.04 0.06 -0.04 3.26 3.23 1fnpM1 HIS 192 HB3 0.12 -0.17 0.07 -0.04 3.20 3.18 1fnpM1 HIS 192 HD2 -0.16 -0.05 -0.03 -0.04 6.97 6.68 1fnpM1 HIS 192 HE1 -0.79 0.02 -0.06 -0.04 7.75 6.88 1fnpM1 GLY 193 H 0.02 0.38 -0.05 -0.55 8.43 8.23 1fnpM1 GLY 193 HA2 0.09 0.11 0.33 -0.51 4.01 4.03 1fnpM1 GLY 193 HA3 0.18 -0.20 0.45 -0.51 4.01 3.93 1fnpM1 ASN 194 H 0.09 0.49 0.04 -0.55 8.53 8.60 1fnpM1 ASN 194 HA -0.01 -0.03 0.30 -0.75 4.76 4.26 1fnpM1 ASN 194 HB2 0.10 0.03 -0.09 -0.04 2.88 2.88 1fnpM1 ASN 194 HB3 0.40 0.26 0.33 -0.04 2.79 3.73 1fnpM1 ASN 194 HD21 -0.12 0.02 -0.06 -0.04 7.03 6.83 1fnpM1 ASN 194 HD22 0.06 0.08 -0.03 -0.04 7.74 7.81 1fnpM1 LEU 195 H -0.11 0.15 0.12 -0.55 8.37 7.99 1fnpM1 LEU 195 HA -0.10 0.10 0.13 -0.75 4.35 3.72 1fnpM1 LEU 195 HB2 -0.19 -0.01 0.17 -0.04 1.64 1.56 1fnpM1 LEU 195 HB3 -0.70 0.04 -0.00 -0.04 1.64 0.93 1fnpM1 LEU 195 HG -0.30 -0.07 0.07 -0.04 1.64 1.30 1fnpM1 LEU 195 HD13 0.16 0.03 -0.07 -0.04 0.93 1.02 1fnpM1 LEU 195 HD23 -0.15 0.02 -0.02 -0.04 0.89 0.70 1fnpM1 PHE 196 H -0.18 0.05 -0.38 -0.55 8.34 7.27 1fnpM1 PHE 196 HA -0.07 0.06 0.38 -0.75 4.62 4.23 1fnpM1 PHE 196 HB2 -0.32 -0.02 -0.03 -0.04 3.15 2.74 1fnpM1 PHE 196 HB3 -0.31 0.06 -0.04 -0.04 3.06 2.73 1fnpM1 PHE 196 HD2 -0.03 0.01 -0.06 -0.04 7.28 7.16 1fnpM1 PHE 196 HE2 0.07 0.01 -0.03 -0.04 7.38 7.38 1fnpM1 PHE 196 HZ 0.03 0.01 -0.02 -0.04 7.32 7.30 1fnpM1 TYR 197 H 0.07 0.48 -0.39 -0.55 8.29 7.90 1fnpM1 TYR 197 HA 0.18 0.14 0.63 -0.75 4.56 4.76 1fnpM1 TYR 197 HB2 0.37 0.10 -0.12 -0.04 3.06 3.36 1fnpM1 TYR 197 HB3 0.39 0.10 -0.12 -0.04 2.98 3.31 1fnpM1 TYR 197 HD2 0.25 0.17 0.06 -0.04 7.15 7.59 1fnpM1 TYR 197 HE2 0.17 -0.02 -0.03 -0.04 6.85 6.93 1fnpM1 ASN 198 H -0.16 0.36 -0.20 -0.55 8.53 7.98 1fnpM1 ASN 198 HA -1.13 0.14 0.64 -0.75 4.76 3.66 1fnpM1 ASN 198 HB2 -1.43 0.03 0.12 -0.04 2.88 1.56 1fnpM1 ASN 198 HB3 -0.48 0.03 0.23 -0.04 2.79 2.52 1fnpM1 ASN 198 HD21 -0.45 0.17 0.13 -0.04 7.03 6.83 1fnpM1 ASN 198 HD22 -0.87 0.05 0.02 -0.04 7.74 6.90 1fnpM1 PRO 199 HA -0.15 0.13 0.31 -0.51 4.44 4.22 1fnpM1 PRO 199 HB2 -0.32 0.01 0.04 -0.04 2.28 1.97 1fnpM1 PRO 199 HB3 -0.04 0.11 0.09 -0.04 2.02 2.14 1fnpM1 PRO 199 HG2 -0.64 -0.03 0.08 -0.04 2.03 1.39 1fnpM1 PRO 199 HG3 -0.20 0.09 0.08 -0.04 2.03 1.96 1fnpM1 PRO 199 HD2 -0.98 0.03 0.24 -0.04 3.68 2.93 1fnpM1 PRO 199 HD3 -0.18 0.36 0.30 -0.04 3.65 4.07 1fnpM1 PHE 200 H -0.37 0.15 -0.20 -0.55 8.34 7.37 1fnpM1 PHE 200 HA -0.04 0.08 0.50 -0.75 4.62 4.42 1fnpM1 PHE 200 HB2 -0.19 -0.02 0.10 -0.04 3.15 3.00 1fnpM1 PHE 200 HB3 -0.02 0.25 0.10 -0.04 3.06 3.35 1fnpM1 PHE 200 HD2 -0.06 -0.01 0.02 -0.04 7.28 7.18 1fnpM1 PHE 200 HE2 0.06 0.03 -0.03 -0.04 7.38 7.39 1fnpM1 PHE 200 HZ 0.08 0.03 -0.04 -0.04 7.32 7.35 1fnpM1 HIS 201 H -0.07 0.14 -0.22 -0.55 8.41 7.72 1fnpM1 HIS 201 HA -0.02 0.03 0.41 -0.75 4.63 4.28 1fnpM1 HIS 201 HB2 -0.16 -0.05 0.11 -0.04 3.26 3.13 1fnpM1 HIS 201 HB3 -0.14 0.32 0.13 -0.04 3.20 3.47 1fnpM1 HIS 201 HD2 0.11 0.08 -0.23 -0.04 6.97 6.88 1fnpM1 HIS 201 HE1 0.04 0.01 -0.04 -0.04 7.75 7.72 1fnpM1 GLY 202 H -0.07 0.41 -0.31 -0.55 8.43 7.91 1fnpM1 GLY 202 HA2 -0.20 0.03 0.38 -0.51 4.01 3.72 1fnpM1 GLY 202 HA3 -0.12 0.13 0.24 -0.51 4.01 3.75 1fnpM1 LEU 203 H -0.11 0.30 -0.34 -0.55 8.37 7.67 1fnpM1 LEU 203 HA -0.30 0.07 0.63 -0.75 4.35 3.99 1fnpM1 LEU 203 HB2 -0.03 0.15 0.25 -0.04 1.64 1.97 1fnpM1 LEU 203 HB3 0.16 -0.02 0.08 -0.04 1.64 1.82 1fnpM1 LEU 203 HG 0.14 -0.04 0.03 -0.04 1.64 1.72 1fnpM1 LEU 203 HD13 -0.15 -0.00 0.02 -0.04 0.93 0.75 1fnpM1 LEU 203 HD23 -0.06 0.02 -0.02 -0.04 0.89 0.80 1fnpM1 SER 204 H 0.01 0.66 0.02 -0.55 8.46 8.61 1fnpM1 SER 204 HA 0.23 0.04 0.43 -0.75 4.49 4.44 1fnpM1 SER 204 HB2 0.07 0.04 0.09 -0.04 3.95 4.11 1fnpM1 SER 204 HB3 -0.12 0.17 0.18 -0.04 3.93 4.11 1fnpM1 ILE 205 H -0.28 0.42 -0.34 -0.55 8.25 7.50 1fnpM1 ILE 205 HA -0.34 -0.00 0.42 -0.75 4.18 3.51 1fnpM1 ILE 205 HB -0.39 0.13 0.12 -0.04 1.89 1.71 1fnpM1 ILE 205 HG12 -0.34 -0.07 0.02 -0.04 1.49 1.05 1fnpM1 ILE 205 HG13 -0.56 0.32 0.09 -0.04 1.21 1.01 1fnpM1 ILE 205 HG23 -0.95 -0.02 -0.08 -0.04 0.93 -0.15 1fnpM1 ILE 205 HD13 -0.17 -0.02 -0.04 -0.04 0.88 0.61 1fnpM1 ALA 206 H -0.35 0.40 -0.27 -0.55 8.40 7.63 1fnpM1 ALA 206 HA -0.20 -0.00 0.38 -0.75 4.34 3.76 1fnpM1 ALA 206 HB3 -0.44 0.05 0.18 -0.04 1.41 1.16 1fnpM1 PHE 207 H -0.30 0.54 -0.23 -0.55 8.34 7.80 1fnpM1 PHE 207 HA 0.07 0.01 0.41 -0.75 4.62 4.36 1fnpM1 PHE 207 HB2 0.04 0.11 0.06 -0.04 3.15 3.32 1fnpM1 PHE 207 HB3 0.08 0.16 0.05 -0.04 3.06 3.31 1fnpM1 PHE 207 HD2 0.08 0.01 -0.19 -0.04 7.28 7.14 1fnpM1 PHE 207 HE2 0.08 -0.04 -0.07 -0.04 7.38 7.31 1fnpM1 PHE 207 HZ 0.05 -0.01 -0.04 -0.04 7.32 7.28 1fnpM1 LEU 208 H 0.03 0.51 -0.06 -0.55 8.37 8.30 1fnpM1 LEU 208 HA 0.14 0.01 0.49 -0.75 4.35 4.24 1fnpM1 LEU 208 HB2 0.04 0.05 0.15 -0.04 1.64 1.84 1fnpM1 LEU 208 HB3 -0.06 0.09 0.20 -0.04 1.64 1.83 1fnpM1 LEU 208 HG 0.15 -0.04 -0.14 -0.04 1.64 1.58 1fnpM1 LEU 208 HD13 0.10 -0.01 0.03 -0.04 0.93 1.00 1fnpM1 LEU 208 HD23 0.07 0.00 -0.03 -0.04 0.89 0.89 1fnpM1 TYR 209 H 0.01 0.83 0.03 -0.55 8.29 8.61 1fnpM1 TYR 209 HA 0.03 0.01 0.50 -0.75 4.56 4.34 1fnpM1 TYR 209 HB2 -0.02 0.14 0.17 -0.04 3.06 3.32 1fnpM1 TYR 209 HB3 0.00 -0.06 0.04 -0.04 2.98 2.93 1fnpM1 TYR 209 HD2 -0.01 -0.04 -0.03 -0.04 7.15 7.03 1fnpM1 TYR 209 HE2 -0.02 -0.01 -0.02 -0.04 6.85 6.76 1fnpM1 GLY 210 H 0.15 0.36 -0.47 -0.55 8.43 7.93 1fnpM1 GLY 210 HA2 0.11 -0.01 0.18 -0.51 4.01 3.78 1fnpM1 GLY 210 HA3 0.14 0.12 0.31 -0.51 4.01 4.07 1fnpM1 SER 211 H 0.17 0.51 -0.23 -0.55 8.46 8.35 1fnpM1 SER 211 HA 0.12 -0.03 0.51 -0.75 4.49 4.33 1fnpM1 SER 211 HB2 0.15 0.18 0.22 -0.04 3.95 4.45 1fnpM1 SER 211 HB3 0.14 -0.08 0.04 -0.04 3.93 3.99 1fnpM1 ALA 212 H 0.14 0.48 -0.14 -0.55 8.40 8.34 1fnpM1 ALA 212 HA 0.14 -0.01 0.39 -0.75 4.34 4.12 1fnpM1 ALA 212 HB3 0.09 0.04 0.12 -0.04 1.41 1.61 1fnpM1 LEU 213 H 0.10 0.42 -0.24 -0.55 8.37 8.10 1fnpM1 LEU 213 HA 0.05 0.02 0.42 -0.75 4.35 4.09 1fnpM1 LEU 213 HB2 0.06 0.11 0.07 -0.04 1.64 1.83 1fnpM1 LEU 213 HB3 0.05 0.12 0.16 -0.04 1.64 1.92 1fnpM1 LEU 213 HG 0.03 -0.00 -0.02 -0.04 1.64 1.61 1fnpM1 LEU 213 HD13 -0.01 -0.01 -0.04 -0.04 0.93 0.83 1fnpM1 LEU 213 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 1fnpM1 LEU 214 H 0.06 0.81 0.01 -0.55 8.37 8.70 1fnpM1 LEU 214 HA -0.08 0.01 0.45 -0.75 4.35 3.98 1fnpM1 LEU 214 HB2 0.04 0.30 0.23 -0.04 1.64 2.17 1fnpM1 LEU 214 HB3 -0.01 -0.03 0.06 -0.04 1.64 1.62 1fnpM1 LEU 214 HG -0.06 0.03 0.00 -0.04 1.64 1.57 1fnpM1 LEU 214 HD13 0.00 -0.02 -0.15 -0.04 0.93 0.72 1fnpM1 LEU 214 HD23 -0.24 -0.02 0.03 -0.04 0.89 0.61 1fnpM1 PHE 215 H 0.21 0.68 -0.02 -0.55 8.34 8.67 1fnpM1 PHE 215 HA 0.09 -0.06 0.37 -0.75 4.62 4.27 1fnpM1 PHE 215 HB2 0.06 0.19 0.15 -0.04 3.15 3.50 1fnpM1 PHE 215 HB3 0.05 0.06 -0.02 -0.04 3.06 3.10 1fnpM1 PHE 215 HD2 0.08 -0.07 0.08 -0.04 7.28 7.34 1fnpM1 PHE 215 HE2 0.08 -0.01 -0.01 -0.04 7.38 7.40 1fnpM1 PHE 215 HZ 0.07 -0.00 -0.01 -0.04 7.32 7.34 1fnpM1 ALA 216 H 0.16 0.49 -0.30 -0.55 8.40 8.21 1fnpM1 ALA 216 HA 0.05 -0.00 0.52 -0.75 4.34 4.16 1fnpM1 ALA 216 HB3 0.06 0.05 0.16 -0.04 1.41 1.64 1fnpM1 MET 217 H 0.09 0.52 -0.17 -0.55 8.47 8.36 1fnpM1 MET 217 HA 0.25 0.01 0.28 -0.75 4.52 4.30 1fnpM1 MET 217 HB2 -0.10 0.13 0.28 -0.04 2.15 2.42 1fnpM1 MET 217 HB3 -0.25 -0.09 0.01 -0.04 2.03 1.65 1fnpM1 MET 217 HG2 0.20 -0.05 0.03 -0.04 2.63 2.76 1fnpM1 MET 217 HG3 0.02 0.27 0.11 -0.04 2.56 2.92 1fnpM1 MET 217 HE3 -0.25 0.01 -0.14 -0.04 2.10 1.68 1fnpM1 HIS 218 H 0.19 0.77 0.06 -0.55 8.41 8.88 1fnpM1 HIS 218 HA 0.03 0.00 0.33 -0.75 4.63 4.24 1fnpM1 HIS 218 HB2 -0.07 0.04 0.07 -0.04 3.26 3.25 1fnpM1 HIS 218 HB3 0.14 -0.00 0.12 -0.04 3.20 3.42 1fnpM1 HIS 218 HD2 -0.03 0.01 -0.07 -0.04 6.97 6.84 1fnpM1 HIS 218 HE1 -0.02 -0.01 -0.05 -0.04 7.75 7.62 1fnpM1 GLY 219 H 0.25 0.60 0.04 -0.55 8.43 8.77 1fnpM1 GLY 219 HA2 -0.11 -0.04 0.45 -0.51 4.01 3.80 1fnpM1 GLY 219 HA3 -0.03 0.13 0.35 -0.51 4.01 3.96 1fnpM1 ALA 220 H 0.03 0.58 -0.19 -0.55 8.40 8.27 1fnpM1 ALA 220 HA -0.07 -0.00 0.36 -0.75 4.34 3.88 1fnpM1 ALA 220 HB3 -0.00 0.02 0.10 -0.04 1.41 1.48 1fnpM1 THR 221 H 0.05 0.36 -0.41 -0.55 8.28 7.73 1fnpM1 THR 221 HA -0.07 0.02 0.40 -0.75 4.39 3.99 1fnpM1 THR 221 HB 0.17 0.06 0.22 -0.04 4.32 4.73 1fnpM1 THR 221 HG23 0.19 -0.04 -0.08 -0.04 1.22 1.25 1fnpM1 ILE 222 H -0.09 0.68 0.07 -0.55 8.25 8.37 1fnpM1 ILE 222 HA -0.01 -0.07 0.34 -0.75 4.18 3.68 1fnpM1 ILE 222 HB -0.15 0.14 0.14 -0.04 1.89 1.97 1fnpM1 ILE 222 HG12 -0.45 0.20 0.03 -0.04 1.49 1.23 1fnpM1 ILE 222 HG13 -0.15 -0.04 -0.04 -0.04 1.21 0.93 1fnpM1 ILE 222 HG23 -0.04 -0.03 -0.18 -0.04 0.93 0.64 1fnpM1 ILE 222 HD13 0.08 -0.03 -0.14 -0.04 0.88 0.75 1fnpM1 LEU 223 H -0.09 0.64 -0.13 -0.55 8.37 8.25 1fnpM1 LEU 223 HA -0.10 -0.04 0.45 -0.75 4.35 3.90 1fnpM1 LEU 223 HB2 -0.11 0.10 0.14 -0.04 1.64 1.73 1fnpM1 LEU 223 HB3 -0.14 0.07 0.08 -0.04 1.64 1.61 1fnpM1 LEU 223 HG -0.12 0.17 0.05 -0.04 1.64 1.70 1fnpM1 LEU 223 HD13 -0.15 -0.00 -0.04 -0.04 0.93 0.69 1fnpM1 LEU 223 HD23 -0.14 -0.02 0.03 -0.04 0.89 0.72 1fnpM1 ALA 224 H -0.09 0.47 -0.24 -0.55 8.40 7.99 1fnpM1 ALA 224 HA -0.10 0.04 0.34 -0.75 4.34 3.86 1fnpM1 ALA 224 HB3 -0.14 0.02 0.14 -0.04 1.41 1.39 1fnpM1 VAL 225 H -0.01 0.51 -0.17 -0.55 8.24 8.01 1fnpM1 VAL 225 HA 0.14 0.20 0.91 -0.75 4.13 4.62 1fnpM1 VAL 225 HB 0.28 -0.19 0.20 -0.04 2.12 2.36 1fnpM1 VAL 225 HG13 0.11 0.03 -0.06 -0.04 0.97 1.01 1fnpM1 VAL 225 HG23 0.06 0.06 -0.06 -0.04 0.95 0.97 1fnpM1 SER 226 H -0.08 0.64 -0.30 -0.55 8.46 8.17 1fnpM1 SER 226 HA -0.02 -0.28 0.43 -0.75 4.49 3.87 1fnpM1 SER 226 HB2 -0.04 -0.10 0.14 -0.04 3.95 3.91 1fnpM1 SER 226 HB3 -0.06 0.13 0.10 -0.04 3.93 4.07 1fnpM1 ARG 227 H -0.26 0.29 -0.28 -0.55 8.46 7.66 1fnpM1 ARG 227 HA -0.20 0.09 0.43 -0.75 4.34 3.92 1fnpM1 ARG 227 HB2 -0.44 -0.01 0.10 -0.04 1.90 1.51 1fnpM1 ARG 227 HB3 -0.26 0.07 0.08 -0.04 1.80 1.64 1fnpM1 ARG 227 HG2 -0.49 0.06 -0.01 -0.04 1.67 1.18 1fnpM1 ARG 227 HG3 -1.99 -0.06 -0.24 -0.04 1.67 -0.67 1fnpM1 ARG 227 HD2 -0.23 0.01 0.03 -0.04 3.22 2.98 1fnpM1 ARG 227 HD3 -0.34 -0.06 0.00 -0.04 3.22 2.78 1fnpM1 PHE 228 H -0.22 0.36 -0.57 -0.55 8.34 7.36 1fnpM1 PHE 228 HA 0.00 0.22 0.65 -0.75 4.62 4.74 1fnpM1 PHE 228 HB2 -0.00 -0.08 0.08 -0.04 3.15 3.11 1fnpM1 PHE 228 HB3 0.00 -0.09 0.19 -0.04 3.06 3.13 1fnpM1 PHE 228 HD2 -0.01 0.03 0.03 -0.04 7.28 7.29 1fnpM1 PHE 228 HE2 -0.01 0.05 -0.03 -0.04 7.38 7.35 1fnpM1 PHE 228 HZ -0.01 0.04 -0.04 -0.04 7.32 7.27 1fnpM1 GLY 229 H -0.02 0.56 -0.16 -0.55 8.43 8.26 1fnpM1 GLY 229 HA2 0.02 0.08 0.27 -0.51 4.01 3.87 1fnpM1 GLY 229 HA3 0.04 0.05 0.10 -0.51 4.01 3.69 1fnpM1 GLY 230 H 0.06 0.34 -0.07 -0.55 8.43 8.21 1fnpM1 GLY 230 HA2 0.08 -0.02 0.09 -0.51 4.01 3.65 1fnpM1 GLY 230 HA3 0.07 0.11 0.12 -0.51 4.01 3.80 1fnpM1 GLU 231 H 0.01 0.12 -0.21 -0.55 8.60 7.97 1fnpM1 GLU 231 HA 0.02 0.06 0.26 -0.75 4.29 3.87 1fnpM1 GLU 231 HB2 -0.01 0.00 0.09 -0.04 2.09 2.13 1fnpM1 GLU 231 HB3 -0.02 0.05 0.04 -0.04 1.99 2.03 1fnpM1 GLU 231 HG2 0.00 0.01 -0.21 -0.04 2.34 2.11 1fnpM1 GLU 231 HG3 -0.01 0.03 -0.07 -0.04 2.34 2.26 1fnpM1 ARG 232 H 0.03 0.48 -0.41 -0.55 8.46 8.00 1fnpM1 ARG 232 HA 0.01 0.05 0.57 -0.75 4.34 4.21 1fnpM1 ARG 232 HB2 0.02 0.02 0.21 -0.04 1.90 2.11 1fnpM1 ARG 232 HB3 0.01 -0.06 0.11 -0.04 1.80 1.82 1fnpM1 ARG 232 HG2 0.01 -0.08 -0.05 -0.04 1.67 1.51 1fnpM1 ARG 232 HG3 0.02 0.26 0.11 -0.04 1.67 2.02 1fnpM1 ARG 232 HD2 0.01 -0.02 0.00 -0.04 3.22 3.17 1fnpM1 ARG 232 HD3 0.01 0.02 0.01 -0.04 3.22 3.21 1fnpM1 GLU 233 H 0.02 0.60 0.04 -0.55 8.60 8.71 1fnpM1 GLU 233 HA 0.06 0.10 0.07 -0.75 4.29 3.76 1fnpM1 GLU 233 HB2 -0.01 -0.02 0.14 -0.04 2.09 2.15 1fnpM1 GLU 233 HB3 0.06 -0.03 0.01 -0.04 1.99 1.99 1fnpM1 GLU 233 HG2 0.14 0.06 -0.01 -0.04 2.34 2.50 1fnpM1 GLU 233 HG3 0.08 0.22 0.07 -0.04 2.34 2.67 1fnpM1 LEU 234 H -0.02 0.13 -0.13 -0.55 8.37 7.81 1fnpM1 LEU 234 HA -0.03 0.06 0.21 -0.75 4.35 3.83 1fnpM1 LEU 234 HB2 -0.04 0.00 0.14 -0.04 1.64 1.70 1fnpM1 LEU 234 HB3 -0.03 0.06 0.07 -0.04 1.64 1.70 1fnpM1 LEU 234 HG -0.05 0.03 0.05 -0.04 1.64 1.63 1fnpM1 LEU 234 HD13 -0.09 -0.00 0.00 -0.04 0.93 0.80 1fnpM1 LEU 234 HD23 -0.06 0.01 0.03 -0.04 0.89 0.83 1fnpM1 GLU 235 H -0.00 0.19 -0.15 -0.55 8.60 8.09 1fnpM1 GLU 235 HA -0.00 0.06 0.36 -0.75 4.29 3.96 1fnpM1 GLU 235 HB2 0.00 -0.05 0.07 -0.04 2.09 2.07 1fnpM1 GLU 235 HB3 0.01 0.13 0.02 -0.04 1.99 2.10 1fnpM1 GLU 235 HG2 0.01 0.02 -0.01 -0.04 2.34 2.31 1fnpM1 GLU 235 HG3 0.01 0.05 -0.02 -0.04 2.34 2.33 1fnpM1 GLN 236 H 0.02 0.37 -0.22 -0.55 8.47 8.09 1fnpM1 GLN 236 HA 0.02 0.23 0.52 -0.75 4.36 4.38 1fnpM1 GLN 236 HB2 0.05 0.12 0.06 -0.04 2.15 2.34 1fnpM1 GLN 236 HB3 0.04 -0.17 0.08 -0.04 2.02 1.93 1fnpM1 GLN 236 HG2 0.03 0.08 -0.02 -0.04 2.40 2.45 1fnpM1 GLN 236 HG3 0.05 0.10 -0.12 -0.04 2.39 2.38 1fnpM1 GLN 236 HE21 0.05 -0.21 0.05 -0.04 6.97 6.81 1fnpM1 GLN 236 HE22 0.05 0.18 -0.03 -0.04 7.69 7.84 1fnpM1 ILE 237 H 0.02 0.41 -0.32 -0.55 8.25 7.81 1fnpM1 ILE 237 HA 0.03 -0.06 0.51 -0.75 4.18 3.90 1fnpM1 ILE 237 HB -0.00 0.27 0.17 -0.04 1.89 2.29 1fnpM1 ILE 237 HG12 0.04 -0.29 -0.07 -0.04 1.49 1.13 1fnpM1 ILE 237 HG13 0.03 0.21 -0.09 -0.04 1.21 1.32 1fnpM1 ILE 237 HG23 0.01 -0.03 -0.07 -0.04 0.93 0.79 1fnpM1 ILE 237 HD13 -0.01 0.00 -0.13 -0.04 0.88 0.70 1fnpM1 ALA 238 H 0.01 0.27 -0.10 -0.55 8.40 8.03 1fnpM1 ALA 238 HA 0.00 0.05 0.40 -0.75 4.34 4.04 1fnpM1 ALA 238 HB3 -0.00 -0.00 0.11 -0.04 1.41 1.48 1fnpM1 ASP 239 H 0.01 0.23 -0.72 -0.55 8.40 7.37 1fnpM1 ASP 239 HA 0.01 0.06 0.73 -0.75 4.63 4.67 1fnpM1 ASP 239 HB2 0.01 0.01 -0.37 -0.04 2.71 2.31 1fnpM1 ASP 239 HB3 0.01 0.03 0.06 -0.04 2.70 2.76 1fnpM1 ARG 240 H 0.01 0.11 0.04 -0.55 8.46 8.07 1fnpM1 ARG 240 HA 0.02 0.14 0.61 -0.75 4.34 4.35 1fnpM1 ARG 240 HB2 0.01 0.03 0.16 -0.04 1.90 2.07 1fnpM1 ARG 240 HB3 0.01 -0.02 0.14 -0.04 1.80 1.88 1fnpM1 ARG 240 HG2 0.00 0.07 -0.00 -0.04 1.67 1.70 1fnpM1 ARG 240 HG3 0.01 -0.07 0.04 -0.04 1.67 1.61 1fnpM1 ARG 240 HD2 -0.01 -0.01 -0.15 -0.04 3.22 3.02 1fnpM1 ARG 240 HD3 -0.01 -0.03 -0.09 -0.04 3.22 3.05 1fnpM1 GLY 241 H 0.01 0.03 0.28 -0.55 8.43 8.21 1fnpM1 GLY 241 HA2 -0.00 0.29 0.92 -0.51 4.01 4.71 1fnpM1 GLY 241 HA3 0.01 0.05 0.41 -0.51 4.01 3.97 1fnpM1 THR 242 H -0.04 0.24 0.19 -0.55 8.28 8.12 1fnpM1 THR 242 HA -0.12 0.09 0.27 -0.75 4.39 3.87 1fnpM1 THR 242 HB -0.13 0.06 0.14 -0.04 4.32 4.35 1fnpM1 THR 242 HG23 -0.28 0.03 0.06 -0.04 1.22 0.98 1fnpM1 ALA 243 H -0.02 0.15 -0.12 -0.55 8.40 7.86 1fnpM1 ALA 243 HA 0.04 0.09 0.45 -0.75 4.34 4.16 1fnpM1 ALA 243 HB3 0.15 0.04 -0.00 -0.04 1.41 1.56 1fnpM1 ALA 244 H 0.01 0.18 -0.19 -0.55 8.40 7.85 1fnpM1 ALA 244 HA 0.04 0.06 0.30 -0.75 4.34 3.99 1fnpM1 ALA 244 HB3 0.03 0.02 0.11 -0.04 1.41 1.53 1fnpM1 GLU 245 H -0.06 0.27 -0.32 -0.55 8.60 7.95 1fnpM1 GLU 245 HA -0.05 0.07 0.50 -0.75 4.29 4.05 1fnpM1 GLU 245 HB2 -0.11 0.06 0.13 -0.04 2.09 2.13 1fnpM1 GLU 245 HB3 -0.08 0.00 -0.00 -0.04 1.99 1.87 1fnpM1 GLU 245 HG2 -0.03 -0.03 -0.06 -0.04 2.34 2.18 1fnpM1 GLU 245 HG3 -0.04 0.18 -0.10 -0.04 2.34 2.33 1fnpM1 ARG 246 H -0.16 0.63 0.08 -0.55 8.46 8.45 1fnpM1 ARG 246 HA -0.23 0.05 0.50 -0.75 4.34 3.91 1fnpM1 ARG 246 HB2 -0.10 0.03 0.05 -0.04 1.90 1.84 1fnpM1 ARG 246 HB3 -0.19 -0.01 0.09 -0.04 1.80 1.66 1fnpM1 ARG 246 HG2 -0.27 0.36 0.27 -0.04 1.67 1.99 1fnpM1 ARG 246 HG3 -0.29 -0.02 0.02 -0.04 1.67 1.34 1fnpM1 ARG 246 HD2 -0.30 -0.05 0.03 -0.04 3.22 2.86 1fnpM1 ARG 246 HD3 -0.69 -0.10 -0.07 -0.04 3.22 2.32 1fnpM1 ALA 247 H -0.02 0.46 -0.20 -0.55 8.40 8.09 1fnpM1 ALA 247 HA 0.05 0.06 0.38 -0.75 4.34 4.08 1fnpM1 ALA 247 HB3 0.10 0.02 0.02 -0.04 1.41 1.50 1fnpM1 ALA 248 H 0.01 0.46 -0.18 -0.55 8.40 8.14 1fnpM1 ALA 248 HA 0.11 -0.04 0.47 -0.75 4.34 4.13 1fnpM1 ALA 248 HB3 0.00 0.02 0.15 -0.04 1.41 1.54 1fnpM1 LEU 249 H -0.19 0.52 -0.20 -0.55 8.37 7.95 1fnpM1 LEU 249 HA -0.45 -0.01 0.23 -0.75 4.35 3.37 1fnpM1 LEU 249 HB2 -0.44 0.19 0.16 -0.04 1.64 1.51 1fnpM1 LEU 249 HB3 -1.24 0.01 -0.06 -0.04 1.64 0.31 1fnpM1 LEU 249 HG -0.66 -0.01 -0.02 -0.04 1.64 0.91 1fnpM1 LEU 249 HD13 -0.20 -0.02 -0.06 -0.04 0.93 0.61 1fnpM1 LEU 249 HD23 -0.17 0.01 -0.06 -0.04 0.89 0.64 1fnpM1 PHE 250 H -0.17 0.59 -0.16 -0.55 8.34 8.05 1fnpM1 PHE 250 HA -0.35 0.03 0.48 -0.75 4.62 4.02 1fnpM1 PHE 250 HB2 -0.33 0.03 0.12 -0.04 3.15 2.94 1fnpM1 PHE 250 HB3 -0.48 0.12 0.16 -0.04 3.06 2.82 1fnpM1 PHE 250 HD2 -1.48 -0.00 -0.07 -0.04 7.28 5.68 1fnpM1 PHE 250 HE2 -1.37 -0.01 -0.04 -0.04 7.38 5.93 1fnpM1 PHE 250 HZ -0.44 -0.00 -0.03 -0.04 7.32 6.81 1fnpM1 TRP 251 H 0.04 0.35 -0.25 -0.55 7.97 7.56 1fnpM1 TRP 251 HA -0.24 0.03 0.42 -0.75 4.62 4.08 1fnpM1 TRP 251 HB2 -0.11 0.07 0.19 -0.04 3.23 3.34 1fnpM1 TRP 251 HB3 -0.22 0.06 0.11 -0.04 3.23 3.13 1fnpM1 TRP 251 HD1 0.04 0.20 0.07 -0.04 7.22 7.50 1fnpM1 TRP 251 HE1 0.01 -0.00 -0.01 -0.04 10.20 10.16 1fnpM1 TRP 251 HE3 -0.08 -0.04 0.07 -0.04 7.59 7.50 1fnpM1 TRP 251 HZ2 -0.00 0.08 0.01 -0.04 7.44 7.49 1fnpM1 TRP 251 HZ3 0.06 0.01 -0.01 -0.04 7.13 7.15 1fnpM1 TRP 251 HH2 0.09 0.01 -0.01 -0.04 7.19 7.23 1fnpM1 ARG 252 H -0.05 0.45 -0.07 -0.55 8.46 8.24 1fnpM1 ARG 252 HA 0.08 0.02 0.31 -0.75 4.34 4.00 1fnpM1 ARG 252 HB2 0.03 -0.04 -0.12 -0.04 1.90 1.73 1fnpM1 ARG 252 HB3 -0.11 0.03 0.04 -0.04 1.80 1.72 1fnpM1 ARG 252 HG2 0.27 0.04 -0.30 -0.04 1.67 1.64 1fnpM1 ARG 252 HG3 0.15 0.03 -0.17 -0.04 1.67 1.64 1fnpM1 ARG 252 HD2 0.08 -0.02 -0.09 -0.04 3.22 3.14 1fnpM1 ARG 252 HD3 0.16 -0.00 -0.08 -0.04 3.22 3.25 1fnpM1 TRP 253 H -0.09 0.52 -0.25 -0.55 7.97 7.60 1fnpM1 TRP 253 HA -0.07 0.03 0.30 -0.75 4.62 4.12 1fnpM1 TRP 253 HB2 -0.24 0.16 0.10 -0.04 3.23 3.21 1fnpM1 TRP 253 HB3 -0.14 -0.06 0.02 -0.04 3.23 3.01 1fnpM1 TRP 253 HD1 -0.03 -0.04 -0.19 -0.04 7.22 6.91 1fnpM1 TRP 253 HE1 -0.02 -0.05 -0.04 -0.04 10.20 10.06 1fnpM1 TRP 253 HE3 -0.10 0.03 -0.03 -0.04 7.59 7.45 1fnpM1 TRP 253 HZ2 -0.02 -0.03 -0.03 -0.04 7.44 7.32 1fnpM1 TRP 253 HZ3 -0.03 -0.02 -0.03 -0.04 7.13 7.01 1fnpM1 TRP 253 HH2 -0.02 -0.03 -0.03 -0.04 7.19 7.07 1fnpM1 THR 254 H -0.16 0.17 -0.32 -0.55 8.28 7.43 1fnpM1 THR 254 HA -0.10 0.10 0.75 -0.75 4.39 4.38 1fnpM1 THR 254 HB -0.27 -0.04 0.23 -0.04 4.32 4.20 1fnpM1 THR 254 HG23 0.00 -0.02 -0.05 -0.04 1.22 1.11 1fnpM1 MET 255 H 0.08 0.63 0.13 -0.55 8.47 8.76 1fnpM1 MET 255 HA 0.11 0.20 0.67 -0.75 4.52 4.75 1fnpM1 MET 255 HB2 0.18 -0.04 0.14 -0.04 2.15 2.39 1fnpM1 MET 255 HB3 0.16 -0.04 -0.05 -0.04 2.03 2.06 1fnpM1 MET 255 HG2 0.15 0.20 0.18 -0.04 2.63 3.12 1fnpM1 MET 255 HG3 -0.21 -0.09 -0.07 -0.04 2.56 2.15 1fnpM1 MET 255 HE3 -1.13 -0.02 -0.09 -0.04 2.10 0.82 1fnpM1 GLY 256 H 0.12 0.39 -0.07 -0.55 8.43 8.33 1fnpM1 GLY 256 HA2 0.15 0.09 0.37 -0.51 4.01 4.11 1fnpM1 GLY 256 HA3 0.18 0.05 0.45 -0.51 4.01 4.19 1fnpM1 PHE 257 H 0.16 0.24 -0.25 -0.55 8.34 7.94 1fnpM1 PHE 257 HA 0.06 0.10 0.48 -0.75 4.62 4.51 1fnpM1 PHE 257 HB2 0.05 -0.08 0.15 -0.04 3.15 3.23 1fnpM1 PHE 257 HB3 0.04 0.11 -0.13 -0.04 3.06 3.05 1fnpM1 PHE 257 HD2 0.03 0.09 -0.14 -0.04 7.28 7.21 1fnpM1 PHE 257 HE2 -0.15 -0.01 -0.07 -0.04 7.38 7.12 1fnpM1 PHE 257 HZ -0.22 -0.03 -0.07 -0.04 7.32 6.97 1fnpM1 ASN 258 H 0.18 0.26 0.17 -0.55 8.53 8.59 1fnpM1 ASN 258 HA -0.21 0.13 0.74 -0.75 4.76 4.67 1fnpM1 ASN 258 HB2 0.04 -0.03 0.19 -0.04 2.88 3.04 1fnpM1 ASN 258 HB3 0.03 0.12 -0.18 -0.04 2.79 2.72 1fnpM1 ASN 258 HD21 0.06 -0.07 -0.14 -0.04 7.03 6.84 1fnpM1 ASN 258 HD22 0.05 0.36 -0.25 -0.04 7.74 7.87 1fnpM1 ALA 259 H -0.06 0.16 0.14 -0.55 8.40 8.10 1fnpM1 ALA 259 HA 0.16 0.16 0.80 -0.75 4.34 4.70 1fnpM1 ALA 259 HB3 -0.01 -0.01 0.04 -0.04 1.41 1.39 1fnpM1 THR 260 H 0.12 0.02 0.16 -0.55 8.28 8.03 1fnpM1 THR 260 HA 0.06 0.32 0.73 -0.75 4.39 4.74 1fnpM1 THR 260 HB 0.06 -0.02 0.19 -0.04 4.32 4.51 1fnpM1 THR 260 HG23 0.06 0.06 0.01 -0.04 1.22 1.32 1fnpM1 MET 261 H 0.06 0.24 0.10 -0.55 8.47 8.33 1fnpM1 MET 261 HA 0.11 0.13 0.43 -0.75 4.52 4.44 1fnpM1 MET 261 HB2 0.08 0.03 0.06 -0.04 2.15 2.28 1fnpM1 MET 261 HB3 0.07 0.01 -0.00 -0.04 2.03 2.07 1fnpM1 MET 261 HG2 0.08 0.08 -0.06 -0.04 2.63 2.70 1fnpM1 MET 261 HG3 0.15 -0.02 -0.11 -0.04 2.56 2.54 1fnpM1 MET 261 HE3 0.08 -0.01 -0.06 -0.04 2.10 2.07 1fnpM1 GLU 262 H 0.08 0.11 -0.05 -0.55 8.60 8.19 1fnpM1 GLU 262 HA 0.13 0.16 0.58 -0.75 4.29 4.41 1fnpM1 GLU 262 HB2 0.04 0.06 0.11 -0.04 2.09 2.25 1fnpM1 GLU 262 HB3 0.05 -0.02 0.05 -0.04 1.99 2.04 1fnpM1 GLU 262 HG2 0.03 -0.05 -0.03 -0.04 2.34 2.25 1fnpM1 GLU 262 HG3 -0.00 0.03 0.02 -0.04 2.34 2.35 1fnpM1 GLY 263 H 0.08 0.01 -0.19 -0.55 8.43 7.78 1fnpM1 GLY 263 HA2 0.06 0.07 0.27 -0.51 4.01 3.91 1fnpM1 GLY 263 HA3 0.12 0.01 0.34 -0.51 4.01 3.97 1fnpM1 ILE 264 H 0.05 0.63 -0.20 -0.55 8.25 8.19 1fnpM1 ILE 264 HA 0.17 0.02 0.37 -0.75 4.18 3.99 1fnpM1 ILE 264 HB -0.12 0.03 0.08 -0.04 1.89 1.84 1fnpM1 ILE 264 HG12 -0.39 0.04 -0.02 -0.04 1.49 1.08 1fnpM1 ILE 264 HG13 -0.68 -0.03 -0.03 -0.04 1.21 0.43 1fnpM1 ILE 264 HG23 -0.50 0.05 -0.06 -0.04 0.93 0.38 1fnpM1 ILE 264 HD13 -0.29 -0.01 0.04 -0.04 0.88 0.58 1fnpM1 HIS 265 H 0.03 0.52 -0.39 -0.55 8.41 8.03 1fnpM1 HIS 265 HA -0.11 0.06 0.45 -0.75 4.63 4.28 1fnpM1 HIS 265 HB2 -0.04 0.19 0.16 -0.04 3.26 3.52 1fnpM1 HIS 265 HB3 -0.07 -0.06 0.11 -0.04 3.20 3.13 1fnpM1 HIS 265 HD2 -0.05 -0.02 -0.00 -0.04 6.97 6.85 1fnpM1 HIS 265 HE1 0.12 -0.01 0.01 -0.04 7.75 7.82 1fnpM1 ARG 266 H 0.08 0.34 -0.11 -0.55 8.46 8.22 1fnpM1 ARG 266 HA 0.08 0.06 0.66 -0.75 4.34 4.38 1fnpM1 ARG 266 HB2 -0.04 0.11 0.16 -0.04 1.90 2.09 1fnpM1 ARG 266 HB3 0.10 0.00 0.02 -0.04 1.80 1.88 1fnpM1 ARG 266 HG2 0.06 -0.02 -0.03 -0.04 1.67 1.64 1fnpM1 ARG 266 HG3 0.05 0.06 -0.02 -0.04 1.67 1.71 1fnpM1 ARG 266 HD2 0.01 -0.01 -0.02 -0.04 3.22 3.16 1fnpM1 ARG 266 HD3 0.06 0.02 -0.01 -0.04 3.22 3.25 1fnpM1 TRP 267 H 0.08 0.45 0.05 -0.55 7.97 8.00 1fnpM1 TRP 267 HA 0.09 0.04 0.52 -0.75 4.62 4.52 1fnpM1 TRP 267 HB2 -0.10 0.14 0.14 -0.04 3.23 3.36 1fnpM1 TRP 267 HB3 -0.05 0.01 -0.05 -0.04 3.23 3.10 1fnpM1 TRP 267 HD1 -0.05 -0.05 -0.24 -0.04 7.22 6.84 1fnpM1 TRP 267 HE1 0.04 -0.00 -0.06 -0.04 10.20 10.14 1fnpM1 TRP 267 HE3 0.04 -0.03 0.03 -0.04 7.59 7.59 1fnpM1 TRP 267 HZ2 0.12 0.02 -0.04 -0.04 7.44 7.50 1fnpM1 TRP 267 HZ3 0.05 0.01 -0.02 -0.04 7.13 7.14 1fnpM1 TRP 267 HH2 0.05 0.03 -0.03 -0.04 7.19 7.19 1fnpM1 ALA 268 H 0.09 0.40 -0.29 -0.55 8.40 8.05 1fnpM1 ALA 268 HA 0.01 0.03 0.34 -0.75 4.34 3.97 1fnpM1 ALA 268 HB3 -0.18 0.03 0.08 -0.04 1.41 1.30 1fnpM1 ILE 269 H 0.00 0.53 -0.08 -0.55 8.25 8.15 1fnpM1 ILE 269 HA -0.07 0.02 0.26 -0.75 4.18 3.64 1fnpM1 ILE 269 HB -0.08 0.07 0.17 -0.04 1.89 2.02 1fnpM1 ILE 269 HG12 -0.21 -0.03 0.08 -0.04 1.49 1.29 1fnpM1 ILE 269 HG13 -0.08 -0.01 0.06 -0.04 1.21 1.13 1fnpM1 ILE 269 HG23 -0.34 0.01 0.06 -0.04 0.93 0.62 1fnpM1 ILE 269 HD13 -0.14 -0.01 -0.01 -0.04 0.88 0.68 1fnpM1 TRP 270 H 0.15 0.45 -0.38 -0.55 7.97 7.64 1fnpM1 TRP 270 HA -0.04 0.00 0.36 -0.75 4.62 4.19 1fnpM1 TRP 270 HB2 -0.07 0.18 0.17 -0.04 3.23 3.47 1fnpM1 TRP 270 HB3 -0.10 -0.03 -0.03 -0.04 3.23 3.04 1fnpM1 TRP 270 HD1 -0.13 0.16 -0.02 -0.04 7.22 7.19 1fnpM1 TRP 270 HE1 -0.06 -0.03 -0.03 -0.04 10.20 10.04 1fnpM1 TRP 270 HE3 -0.11 -0.04 -0.01 -0.04 7.59 7.39 1fnpM1 TRP 270 HZ2 -0.06 -0.01 -0.03 -0.04 7.44 7.30 1fnpM1 TRP 270 HZ3 -0.09 -0.00 -0.05 -0.04 7.13 6.95 1fnpM1 TRP 270 HH2 -0.09 0.01 -0.04 -0.04 7.19 7.03 1fnpM1 MET 271 H 0.24 0.62 0.04 -0.55 8.47 8.83 1fnpM1 MET 271 HA 0.15 -0.01 0.36 -0.75 4.52 4.26 1fnpM1 MET 271 HB2 0.24 0.06 0.13 -0.04 2.15 2.54 1fnpM1 MET 271 HB3 0.13 0.05 0.14 -0.04 2.03 2.31 1fnpM1 MET 271 HG2 0.15 0.03 -0.29 -0.04 2.63 2.48 1fnpM1 MET 271 HG3 0.20 0.07 -0.23 -0.04 2.56 2.56 1fnpM1 MET 271 HE3 0.18 0.02 -0.02 -0.04 2.10 2.23 1fnpM1 ALA 272 H 0.07 0.44 -0.26 -0.55 8.40 8.10 1fnpM1 ALA 272 HA 0.10 0.05 0.51 -0.75 4.34 4.25 1fnpM1 ALA 272 HB3 0.04 0.02 0.06 -0.04 1.41 1.49 1fnpM1 VAL 273 H 0.00 0.49 -0.00 -0.55 8.24 8.19 1fnpM1 VAL 273 HA 0.03 0.00 0.40 -0.75 4.13 3.81 1fnpM1 VAL 273 HB -0.11 0.09 0.24 -0.04 2.12 2.30 1fnpM1 VAL 273 HG13 -0.05 -0.03 -0.11 -0.04 0.97 0.74 1fnpM1 VAL 273 HG23 -0.16 0.02 0.12 -0.04 0.95 0.88 1fnpM1 LEU 274 H -0.04 0.65 -0.29 -0.55 8.37 8.14 1fnpM1 LEU 274 HA -0.03 -0.04 0.29 -0.75 4.35 3.80 1fnpM1 LEU 274 HB2 -0.99 0.19 0.03 -0.04 1.64 0.83 1fnpM1 LEU 274 HB3 -1.19 -0.07 0.04 -0.04 1.64 0.37 1fnpM1 LEU 274 HG 0.09 0.07 -0.01 -0.04 1.64 1.75 1fnpM1 LEU 274 HD13 -0.44 -0.01 -0.10 -0.04 0.93 0.34 1fnpM1 LEU 274 HD23 -0.05 -0.02 -0.03 -0.04 0.89 0.74 1fnpM1 VAL 275 H 0.06 0.43 -0.42 -0.55 8.24 7.77 1fnpM1 VAL 275 HA 0.27 0.05 0.53 -0.75 4.13 4.22 1fnpM1 VAL 275 HB 0.12 0.22 0.20 -0.04 2.12 2.62 1fnpM1 VAL 275 HG13 0.11 -0.01 -0.09 -0.04 0.97 0.94 1fnpM1 VAL 275 HG23 0.18 0.03 -0.04 -0.04 0.95 1.08 1fnpM1 THR 276 H 0.12 0.35 -0.07 -0.55 8.28 8.13 1fnpM1 THR 276 HA 0.14 0.08 0.42 -0.75 4.39 4.27 1fnpM1 THR 276 HB 0.17 0.01 0.18 -0.04 4.32 4.64 1fnpM1 THR 276 HG23 0.11 -0.01 0.02 -0.04 1.22 1.30 1fnpM1 LEU 277 H 0.16 0.23 -0.33 -0.55 8.37 7.89 1fnpM1 LEU 277 HA 0.39 0.12 0.64 -0.75 4.35 4.75 1fnpM1 LEU 277 HB2 0.09 0.10 0.07 -0.04 1.64 1.86 1fnpM1 LEU 277 HB3 0.10 -0.04 0.15 -0.04 1.64 1.81 1fnpM1 LEU 277 HG 0.07 -0.01 -0.20 -0.04 1.64 1.46 1fnpM1 LEU 277 HD13 -0.21 -0.00 0.01 -0.04 0.93 0.69 1fnpM1 LEU 277 HD23 0.06 -0.00 -0.05 -0.04 0.89 0.86 1fnpM1 THR 278 H 0.19 0.48 0.05 -0.55 8.28 8.45 1fnpM1 THR 278 HA 0.22 0.03 0.41 -0.75 4.39 4.30 1fnpM1 THR 278 HB 0.39 -0.05 0.11 -0.04 4.32 4.74 1fnpM1 THR 278 HG23 0.36 0.00 0.06 -0.04 1.22 1.60 1fnpM1 GLY 279 H 0.18 0.34 -0.31 -0.55 8.43 8.09 1fnpM1 GLY 279 HA2 0.10 0.01 0.39 -0.51 4.01 3.99 1fnpM1 GLY 279 HA3 0.09 0.14 0.32 -0.51 4.01 4.04 1fnpM1 GLY 280 H 0.17 0.40 -0.40 -0.55 8.43 8.06 1fnpM1 GLY 280 HA2 -0.27 0.04 0.31 -0.51 4.01 3.58 1fnpM1 GLY 280 HA3 -0.59 0.09 0.22 -0.51 4.01 3.22 1fnpM1 ILE 281 H 0.17 0.32 -0.30 -0.55 8.25 7.89 1fnpM1 ILE 281 HA 0.05 0.09 0.65 -0.75 4.18 4.22 1fnpM1 ILE 281 HB -0.38 0.06 0.17 -0.04 1.89 1.69 1fnpM1 ILE 281 HG12 0.15 -0.01 0.01 -0.04 1.49 1.60 1fnpM1 ILE 281 HG13 0.39 0.12 0.03 -0.04 1.21 1.70 1fnpM1 ILE 281 HG23 -0.82 -0.01 -0.07 -0.04 0.93 -0.01 1fnpM1 ILE 281 HD13 -0.02 -0.03 -0.06 -0.04 0.88 0.74 1fnpM1 GLY 282 H -0.05 0.56 -0.10 -0.55 8.43 8.30 1fnpM1 GLY 282 HA2 0.00 -0.05 0.27 -0.51 4.01 3.73 1fnpM1 GLY 282 HA3 0.03 -0.01 0.27 -0.51 4.01 3.78 1fnpM1 ILE 283 H -0.03 0.42 -0.19 -0.55 8.25 7.90 1fnpM1 ILE 283 HA 0.10 0.08 0.60 -0.75 4.18 4.21 1fnpM1 ILE 283 HB -0.11 0.03 0.06 -0.04 1.89 1.84 1fnpM1 ILE 283 HG12 -0.03 0.21 0.07 -0.04 1.49 1.71 1fnpM1 ILE 283 HG13 -0.08 -0.02 -0.00 -0.04 1.21 1.07 1fnpM1 ILE 283 HG23 -0.08 0.01 -0.08 -0.04 0.93 0.74 1fnpM1 ILE 283 HD13 -0.10 -0.01 -0.05 -0.04 0.88 0.67 1fnpM1 LEU 284 H -0.05 0.31 -0.30 -0.55 8.37 7.77 1fnpM1 LEU 284 HA -0.01 0.06 0.26 -0.75 4.35 3.91 1fnpM1 LEU 284 HB2 -0.11 0.31 0.26 -0.04 1.64 2.05 1fnpM1 LEU 284 HB3 0.02 -0.01 0.05 -0.04 1.64 1.66 1fnpM1 LEU 284 HG -0.14 -0.05 0.01 -0.04 1.64 1.43 1fnpM1 LEU 284 HD13 0.12 -0.02 -0.05 -0.04 0.93 0.94 1fnpM1 LEU 284 HD23 -0.01 0.00 -0.02 -0.04 0.89 0.82 1fnpM1 LEU 285 H 0.09 0.36 -0.31 -0.55 8.37 7.96 1fnpM1 LEU 285 HA 0.08 0.06 0.44 -0.75 4.35 4.19 1fnpM1 LEU 285 HB2 0.34 0.09 0.02 -0.04 1.64 2.05 1fnpM1 LEU 285 HB3 0.22 -0.10 0.07 -0.04 1.64 1.79 1fnpM1 LEU 285 HG 0.02 0.11 -0.00 -0.04 1.64 1.73 1fnpM1 LEU 285 HD13 0.11 -0.03 -0.07 -0.04 0.93 0.90 1fnpM1 LEU 285 HD23 0.08 -0.00 -0.04 -0.04 0.89 0.89 1fnpM1 SER 286 H 0.17 0.41 -0.58 -0.55 8.46 7.92 1fnpM1 SER 286 HA 0.11 0.04 0.66 -0.75 4.49 4.55 1fnpM1 SER 286 HB2 0.17 0.21 0.23 -0.04 3.95 4.52 1fnpM1 SER 286 HB3 -0.65 0.00 0.02 -0.04 3.93 3.26 1fnpM1 GLY 287 H 0.02 0.71 0.38 -0.55 8.43 8.99 1fnpM1 GLY 287 HA2 0.08 -0.01 0.33 -0.51 4.01 3.90 1fnpM1 GLY 287 HA3 0.18 0.18 0.58 -0.51 4.01 4.44 1fnpM1 THR 288 H 0.03 0.05 -0.55 -0.55 8.28 7.26 1fnpM1 THR 288 HA 0.00 0.28 0.89 -0.75 4.39 4.81 1fnpM1 THR 288 HB 0.02 -0.05 0.04 -0.04 4.32 4.28 1fnpM1 THR 288 HG23 0.03 0.03 -0.14 -0.04 1.22 1.10 1fnpM1 VAL 289 H -0.02 -0.05 0.14 -0.55 8.24 7.76 1fnpM1 VAL 289 HA -0.00 0.19 0.76 -0.75 4.13 4.33 1fnpM1 VAL 289 HB 0.01 0.06 0.10 -0.04 2.12 2.25 1fnpM1 VAL 289 HG13 0.04 -0.02 -0.08 -0.04 0.97 0.87 1fnpM1 VAL 289 HG23 0.03 -0.00 -0.18 -0.04 0.95 0.76 1fnpM1 VAL 290 H -0.13 0.24 0.32 -0.55 8.24 8.12 1fnpM1 VAL 290 HA -0.22 0.15 0.89 -0.75 4.13 4.20 1fnpM1 VAL 290 HB -0.96 0.11 0.11 -0.04 2.12 1.34 1fnpM1 VAL 290 HG13 -1.43 -0.02 -0.20 -0.04 0.97 -0.72 1fnpM1 VAL 290 HG23 -0.72 0.00 -0.10 -0.04 0.95 0.08 1fnpM1 ASP 291 H -0.16 0.17 0.12 -0.55 8.40 7.99 1fnpM1 ASP 291 HA -0.07 0.18 0.73 -0.75 4.63 4.72 1fnpM1 ASP 291 HB2 -0.08 -0.03 0.10 -0.04 2.71 2.66 1fnpM1 ASP 291 HB3 -0.08 0.02 -0.02 -0.04 2.70 2.57 1fnpM1 ASN 292 H -0.25 0.04 -0.10 -0.55 8.53 7.67 1fnpM1 ASN 292 HA 0.01 0.28 0.43 -0.75 4.76 4.73 1fnpM1 ASN 292 HB2 -0.03 0.19 -0.37 -0.04 2.88 2.63 1fnpM1 ASN 292 HB3 -0.01 -0.09 0.06 -0.04 2.79 2.71 1fnpM1 ASN 292 HD21 0.08 0.01 -0.01 -0.04 7.03 7.08 1fnpM1 ASN 292 HD22 0.02 0.11 -0.05 -0.04 7.74 7.77 1fnpM1 TRP 293 H 0.29 0.83 0.28 -0.55 7.97 8.83 1fnpM1 TRP 293 HA 0.22 0.00 0.37 -0.75 4.62 4.46 1fnpM1 TRP 293 HB2 0.20 0.17 -0.09 -0.04 3.23 3.47 1fnpM1 TRP 293 HB3 0.25 -0.01 -0.29 -0.04 3.23 3.13 1fnpM1 TRP 293 HD1 0.05 0.15 -0.09 -0.04 7.22 7.28 1fnpM1 TRP 293 HE1 -0.06 0.08 -0.05 -0.04 10.20 10.13 1fnpM1 TRP 293 HE3 -0.19 0.09 0.01 -0.04 7.59 7.46 1fnpM1 TRP 293 HZ2 -0.09 0.08 -0.17 -0.04 7.44 7.21 1fnpM1 TRP 293 HZ3 -1.73 0.01 0.02 -0.04 7.13 5.39 1fnpM1 TRP 293 HH2 -0.32 0.01 -0.03 -0.04 7.19 6.81 1fnpM1 TYR 294 H 0.37 0.17 -0.04 -0.55 8.29 8.24 1fnpM1 TYR 294 HA -0.32 0.11 0.46 -0.75 4.56 4.06 1fnpM1 TYR 294 HB2 0.00 0.17 0.15 -0.04 3.06 3.34 1fnpM1 TYR 294 HB3 0.01 -0.10 0.07 -0.04 2.98 2.92 1fnpM1 TYR 294 HD2 -0.47 -0.00 -0.05 -0.04 7.15 6.58 1fnpM1 TYR 294 HE2 -0.10 -0.00 -0.04 -0.04 6.85 6.67 1fnpM1 VAL 295 H 0.11 0.09 -0.25 -0.55 8.24 7.64 1fnpM1 VAL 295 HA -0.19 0.09 0.42 -0.75 4.13 3.70 1fnpM1 VAL 295 HB 0.01 0.07 0.16 -0.04 2.12 2.33 1fnpM1 VAL 295 HG13 -0.04 0.01 -0.11 -0.04 0.97 0.79 1fnpM1 VAL 295 HG23 0.06 -0.00 0.01 -0.04 0.95 0.98 1fnpM1 TRP 296 H 0.16 0.47 0.02 -0.55 7.97 8.07 1fnpM1 TRP 296 HA -0.06 0.00 0.34 -0.75 4.62 4.15 1fnpM1 TRP 296 HB2 -0.28 -0.02 0.14 -0.04 3.23 3.03 1fnpM1 TRP 296 HB3 -0.00 0.12 0.11 -0.04 3.23 3.41 1fnpM1 TRP 296 HD1 -0.14 0.05 0.08 -0.04 7.22 7.17 1fnpM1 TRP 296 HE1 0.08 0.06 -0.03 -0.04 10.20 10.27 1fnpM1 TRP 296 HE3 0.35 0.17 -0.20 -0.04 7.59 7.86 1fnpM1 TRP 296 HZ2 0.19 0.03 -0.06 -0.04 7.44 7.55 1fnpM1 TRP 296 HZ3 0.13 0.06 0.00 -0.04 7.13 7.28 1fnpM1 TRP 296 HH2 0.08 -0.00 -0.01 -0.04 7.19 7.22 1fnpM1 GLY 297 H 0.28 0.35 -0.55 -0.55 8.43 7.97 1fnpM1 GLY 297 HA2 0.28 -0.03 0.20 -0.51 4.01 3.94 1fnpM1 GLY 297 HA3 0.22 0.09 0.28 -0.51 4.01 4.09 1fnpM1 GLN 298 H -0.18 0.41 -0.41 -0.55 8.47 7.75 1fnpM1 GLN 298 HA -0.16 0.04 0.65 -0.75 4.36 4.14 1fnpM1 GLN 298 HB2 -0.25 0.17 0.18 -0.04 2.15 2.22 1fnpM1 GLN 298 HB3 -0.20 -0.08 0.02 -0.04 2.02 1.72 1fnpM1 GLN 298 HG2 -0.69 0.25 0.09 -0.04 2.40 2.00 1fnpM1 GLN 298 HG3 -0.45 -0.10 0.03 -0.04 2.39 1.83 1fnpM1 GLN 298 HE21 -0.08 -0.04 0.04 -0.04 6.97 6.84 1fnpM1 GLN 298 HE22 -0.14 -0.00 0.05 -0.04 7.69 7.56 1fnpM1 ASN 299 H -0.28 0.34 -0.15 -0.55 8.53 7.90 1fnpM1 ASN 299 HA -0.51 0.11 0.58 -0.75 4.76 4.19 1fnpM1 ASN 299 HB2 -0.25 -0.03 0.07 -0.04 2.88 2.63 1fnpM1 ASN 299 HB3 -0.23 0.03 0.06 -0.04 2.79 2.61 1fnpM1 ASN 299 HD21 -0.12 -0.03 -0.05 -0.04 7.03 6.78 1fnpM1 ASN 299 HD22 -0.14 0.03 -0.10 -0.04 7.74 7.48 1fnpM1 HIS 300 H -1.48 0.13 -0.08 -0.55 8.41 6.44 1fnpM1 HIS 300 HA -1.66 0.14 0.26 -0.75 4.63 2.61 1fnpM1 HIS 300 HB2 -0.40 -0.03 0.18 -0.04 3.26 2.97 1fnpM1 HIS 300 HB3 -1.10 -0.03 0.07 -0.04 3.20 2.10 1fnpM1 HIS 300 HD2 -0.13 -0.04 0.04 -0.04 6.97 6.79 1fnpM1 HIS 300 HE1 -0.11 0.18 0.06 -0.04 7.75 7.84 1fnpM1 GLY 301 H -0.98 0.07 0.22 -0.55 8.43 7.19 1fnpM1 GLY 301 HA2 -0.00 -0.01 0.27 -0.51 4.01 3.76 1fnpM1 GLY 301 HA3 -0.14 0.14 0.41 -0.51 4.01 3.91