============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 4 0.840 83.640 99.975 -1.942 -99.200 -91.000 TYR 25 0.840 88.587 100.876 5.809 -99.200 -91.000 TYR 40 0.840 98.930 102.003 3.316 -99.200 -91.000 TRP 53 1.040 83.144 101.049 4.061 -99.200 -91.000 TRP6 53 1.020 81.628 100.340 2.386 -99.200 -91.000 PHE 69 1.000 57.578 90.704 -13.168 -99.200 -91.000 TYR 71 0.840 59.747 93.102 -7.267 -99.200 -91.000 TYR 92 0.840 54.804 94.784 -23.103 -99.200 -91.000 HIS 108 0.900 41.125 105.338 -25.156 -99.200 -91.000 TYR 115 0.840 52.961 97.091 -16.703 -99.200 -91.000 PHE 120 1.000 53.946 91.545 -17.695 -99.200 -91.000 TRP 139 1.040 72.378 94.646 6.944 -99.200 -91.000 TRP6 139 1.020 72.284 97.003 7.152 -99.200 -91.000 PHE 149 1.000 87.139 90.022 7.477 -99.200 -91.000 PHE 156 1.000 103.204 80.775 1.761 -99.200 -91.000 HIS 157 0.900 95.498 84.861 -1.636 -99.200 -91.000 TYR 158 0.840 97.687 81.629 5.433 -99.200 -91.000 TYR 165 0.840 79.305 89.767 20.165 -99.200 -91.000 TYR 179 0.840 106.312 75.361 -6.892 -99.200 -91.000 HIS 195 0.900 105.944 59.324 -10.419 -99.200 -91.000 TYR 202 0.840 102.113 73.371 -2.376 -99.200 -91.000 PHE 207 1.000 106.211 76.857 -1.175 -99.200 -91.000 TYR 223 0.840 90.211 92.295 16.745 -99.200 -91.000 PHE 226 1.000 84.554 92.211 14.034 -99.200 -91.000 TYR 227 0.840 88.427 97.435 17.725 -99.200 -91.000 PHE 229 1.000 84.284 97.606 8.244 -99.200 -91.000 TYR 258 0.840 79.195 91.098 53.748 -99.200 -91.000 TYR 263 0.840 86.495 95.142 46.586 -99.200 -91.000 PHE 277 1.000 91.048 95.800 27.735 -99.200 -91.000 TYR 285 0.840 101.180 82.427 33.112 -99.200 -91.000 PHE 301 1.000 94.515 87.873 50.045 -99.200 -91.000 PHE 303 1.000 93.097 82.941 50.773 -99.200 -91.000 TRP 315 1.040 85.001 78.585 42.421 -99.200 -91.000 TRP6 315 1.020 84.039 79.190 40.342 -99.200 -91.000 PHE 334 1.000 79.266 87.770 28.509 -99.200 -91.000 PHE 336 1.000 82.620 82.087 23.501 -99.200 -91.000 TYR 354 0.840 88.998 80.214 46.081 -99.200 -91.000 TRP 359 1.040 95.190 81.831 43.475 -99.200 -91.000 TRP6 359 1.020 92.874 81.398 43.272 -99.200 -91.000 TRP 369 1.040 89.706 80.940 27.837 -99.200 -91.000 TRP6 369 1.020 88.422 82.171 29.403 -99.200 -91.000 PHE 383 1.000 89.716 85.638 34.847 -99.200 -91.000 TYR 390 0.840 82.967 81.436 44.029 -99.200 -91.000 PHE 420 1.000 92.840 98.624 38.150 -99.200 -91.000 HIS 433 0.900 104.639 100.580 60.143 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3fewX1 VAL 67 HA -0.04 -0.11 0.10 -0.75 4.13 3.34 3fewX1 VAL 67 HB -0.14 0.35 -0.15 -0.04 2.12 2.14 3fewX1 VAL 67 HG13 -0.06 -0.02 -0.03 -0.04 0.97 0.82 3fewX1 VAL 67 HG23 -0.07 -0.04 -0.06 -0.04 0.95 0.74 3fewX1 PRO 68 HA -0.04 0.14 0.26 -0.51 4.44 4.29 3fewX1 PRO 68 HB2 -0.02 0.09 0.01 -0.04 2.28 2.32 3fewX1 PRO 68 HB3 -0.01 -0.08 0.10 -0.04 2.02 1.99 3fewX1 PRO 68 HG2 -0.00 -0.02 -0.03 -0.04 2.03 1.94 3fewX1 PRO 68 HG3 -0.00 0.16 0.06 -0.04 2.03 2.21 3fewX1 PRO 68 HD2 -0.01 0.13 0.46 -0.04 3.68 4.23 3fewX1 PRO 68 HD3 -0.01 -0.05 -0.10 -0.04 3.65 3.45 3fewX1 PRO 69 HA -0.23 0.13 0.65 -0.51 4.44 4.48 3fewX1 PRO 69 HB2 -0.04 0.18 -0.03 -0.04 2.28 2.35 3fewX1 PRO 69 HB3 -0.07 0.00 0.07 -0.04 2.02 1.99 3fewX1 PRO 69 HG2 -0.03 -0.04 -0.07 -0.04 2.03 1.85 3fewX1 PRO 69 HG3 -0.03 -0.02 0.04 -0.04 2.03 1.98 3fewX1 PRO 69 HD2 -0.03 0.05 0.12 -0.04 3.68 3.79 3fewX1 PRO 69 HD3 -0.04 0.11 0.15 -0.04 3.65 3.83 3fewX1 TYR 70 H -0.26 0.11 0.14 -0.55 8.29 7.72 3fewX1 TYR 70 HA 0.00 0.06 0.15 -0.75 4.56 4.02 3fewX1 TYR 70 HB2 -0.01 -0.06 0.15 -0.04 3.06 3.10 3fewX1 TYR 70 HB3 -0.17 0.00 0.02 -0.04 2.98 2.79 3fewX1 TYR 70 HD2 0.22 0.04 0.00 -0.04 7.15 7.37 3fewX1 TYR 70 HE2 0.18 0.06 0.05 -0.04 6.85 7.10 3fewX1 VAL 71 H 0.06 0.13 -0.00 -0.55 8.24 7.88 3fewX1 VAL 71 HA -0.04 0.12 0.76 -0.75 4.13 4.22 3fewX1 VAL 71 HB -0.11 0.01 -0.14 -0.04 2.12 1.83 3fewX1 VAL 71 HG13 -0.17 0.07 -0.14 -0.04 0.97 0.69 3fewX1 VAL 71 HG23 -0.07 0.03 -0.10 -0.04 0.95 0.77 3fewX1 ASP 72 H -0.03 0.61 0.21 -0.55 8.40 8.64 3fewX1 ASP 72 HA -0.02 0.13 0.43 -0.75 4.63 4.42 3fewX1 ASP 72 HB2 -0.02 0.00 0.10 -0.04 2.71 2.75 3fewX1 ASP 72 HB3 -0.02 -0.18 0.16 -0.04 2.70 2.62 3fewX1 ASP 73 H -0.02 0.13 0.16 -0.55 8.40 8.13 3fewX1 ASP 73 HA -0.01 0.14 0.46 -0.75 4.63 4.47 3fewX1 ASP 73 HB2 -0.02 -0.06 0.18 -0.04 2.71 2.77 3fewX1 ASP 73 HB3 -0.01 0.04 -0.01 -0.04 2.70 2.67 3fewX1 ASN 74 H -0.02 0.02 -0.14 -0.55 8.53 7.84 3fewX1 ASN 74 HA -0.02 0.15 0.37 -0.75 4.76 4.50 3fewX1 ASN 74 HB2 -0.02 0.05 0.11 -0.04 2.88 2.98 3fewX1 ASN 74 HB3 -0.02 0.00 0.06 -0.04 2.79 2.79 3fewX1 ASN 74 HD21 -0.01 0.01 -0.05 -0.04 7.03 6.93 3fewX1 ASN 74 HD22 -0.02 0.04 -0.02 -0.04 7.74 7.69 3fewX1 GLY 75 H -0.04 0.43 -0.83 -0.55 8.43 7.44 3fewX1 GLY 75 HA2 -0.07 0.13 0.22 -0.51 4.01 3.79 3fewX1 GLY 75 HA3 -0.06 0.07 0.46 -0.51 4.01 3.96 3fewX1 GLN 76 H -0.06 -0.11 -0.34 -0.55 8.47 7.41 3fewX1 GLN 76 HA -0.18 0.32 0.88 -0.75 4.36 4.63 3fewX1 GLN 76 HB2 -0.03 -0.12 -0.07 -0.04 2.15 1.88 3fewX1 GLN 76 HB3 -0.05 0.01 -0.08 -0.04 2.02 1.85 3fewX1 GLN 76 HG2 -0.07 0.02 -0.20 -0.04 2.40 2.12 3fewX1 GLN 76 HG3 -0.05 0.06 -0.34 -0.04 2.39 2.02 3fewX1 GLN 76 HE21 -0.00 -0.03 -0.08 -0.04 6.97 6.82 3fewX1 GLN 76 HE22 -0.02 0.07 -0.10 -0.04 7.69 7.60 3fewX1 VAL 77 H -0.25 0.53 0.37 -0.55 8.24 8.34 3fewX1 VAL 77 HA -0.03 0.17 0.98 -0.75 4.13 4.50 3fewX1 VAL 77 HB -0.16 0.03 0.17 -0.04 2.12 2.11 3fewX1 VAL 77 HG13 0.26 -0.01 -0.12 -0.04 0.97 1.05 3fewX1 VAL 77 HG23 -0.11 0.07 0.04 -0.04 0.95 0.91 3fewX1 ARG 78 H 0.04 0.23 0.22 -0.55 8.46 8.41 3fewX1 ARG 78 HA 0.09 0.00 0.84 -0.75 4.34 4.52 3fewX1 ARG 78 HB2 0.05 0.05 0.19 -0.04 1.90 2.14 3fewX1 ARG 78 HB3 0.06 0.00 0.01 -0.04 1.80 1.83 3fewX1 ARG 78 HG2 0.06 0.00 -0.01 -0.04 1.67 1.67 3fewX1 ARG 78 HG3 0.03 0.01 0.01 -0.04 1.67 1.68 3fewX1 ARG 78 HD2 0.04 0.08 -0.01 -0.04 3.22 3.30 3fewX1 ARG 78 HD3 0.08 0.00 -0.02 -0.04 3.22 3.24 3fewX1 ILE 79 H 0.09 0.64 0.43 -0.55 8.25 8.87 3fewX1 ILE 79 HA 0.06 0.41 0.99 -0.75 4.18 4.88 3fewX1 ILE 79 HB 0.08 -0.10 -0.02 -0.04 1.89 1.81 3fewX1 ILE 79 HG12 0.07 0.06 -0.12 -0.04 1.49 1.47 3fewX1 ILE 79 HG13 0.17 -0.04 -0.65 -0.04 1.21 0.64 3fewX1 ILE 79 HG23 0.03 -0.03 -0.25 -0.04 0.93 0.64 3fewX1 ILE 79 HD13 -0.03 -0.01 -0.27 -0.04 0.88 0.53 3fewX1 THR 80 H 0.03 0.80 0.38 -0.55 8.28 8.94 3fewX1 THR 80 HA -0.01 0.15 1.18 -0.75 4.39 4.96 3fewX1 THR 80 HB -0.00 -0.00 0.06 -0.04 4.32 4.34 3fewX1 THR 80 HG23 -0.01 -0.02 -0.10 -0.04 1.22 1.05 3fewX1 ILE 81 H 0.01 0.58 0.29 -0.55 8.25 8.57 3fewX1 ILE 81 HA 0.03 0.42 0.93 -0.75 4.18 4.81 3fewX1 ILE 81 HB 0.02 -0.07 0.20 -0.04 1.89 2.00 3fewX1 ILE 81 HG12 0.02 0.06 -0.22 -0.04 1.49 1.30 3fewX1 ILE 81 HG13 0.02 -0.04 -0.28 -0.04 1.21 0.86 3fewX1 ILE 81 HG23 0.02 -0.03 -0.27 -0.04 0.93 0.60 3fewX1 ILE 81 HD13 0.01 -0.00 -0.20 -0.04 0.88 0.64 3fewX1 THR 82 H 0.05 0.74 0.21 -0.55 8.28 8.73 3fewX1 THR 82 HA 0.02 0.09 0.94 -0.75 4.39 4.70 3fewX1 THR 82 HB 0.06 0.04 0.02 -0.04 4.32 4.39 3fewX1 THR 82 HG23 0.02 -0.00 0.00 -0.04 1.22 1.20 3fewX1 ASN 83 H 0.02 0.15 0.11 -0.55 8.53 8.27 3fewX1 ASN 83 HA 0.02 0.03 0.34 -0.75 4.76 4.39 3fewX1 ASN 83 HB2 0.04 0.16 -0.06 -0.04 2.88 2.98 3fewX1 ASN 83 HB3 0.02 0.03 0.20 -0.04 2.79 2.99 3fewX1 ASN 83 HD21 0.02 0.02 0.03 -0.04 7.03 7.05 3fewX1 ASN 83 HD22 0.01 0.00 0.09 -0.04 7.74 7.81 3fewX1 GLY 84 H 0.02 0.04 -0.29 -0.55 8.43 7.65 3fewX1 GLY 84 HA2 0.01 -0.02 0.21 -0.51 4.01 3.69 3fewX1 GLY 84 HA3 0.01 0.09 0.38 -0.51 4.01 3.98 3fewX1 LEU 85 H 0.05 0.42 -0.66 -0.55 8.37 7.63 3fewX1 LEU 85 HA 0.05 0.13 0.75 -0.75 4.35 4.53 3fewX1 LEU 85 HB2 0.16 0.12 0.08 -0.04 1.64 1.95 3fewX1 LEU 85 HB3 0.19 -0.00 -0.01 -0.04 1.64 1.77 3fewX1 LEU 85 HG 0.01 0.14 -0.06 -0.04 1.64 1.69 3fewX1 LEU 85 HD13 0.01 -0.02 -0.00 -0.04 0.93 0.88 3fewX1 LEU 85 HD23 -0.09 -0.01 -0.01 -0.04 0.89 0.74 3fewX1 VAL 86 H 0.10 0.15 0.17 -0.55 8.24 8.12 3fewX1 VAL 86 HA 0.06 0.17 0.71 -0.75 4.13 4.31 3fewX1 VAL 86 HB 0.06 -0.03 0.14 -0.04 2.12 2.24 3fewX1 VAL 86 HG13 0.05 0.01 -0.24 -0.04 0.97 0.75 3fewX1 VAL 86 HG23 0.03 0.00 -0.09 -0.04 0.95 0.85 3fewX1 LYS 87 H 0.04 0.62 0.36 -0.55 8.42 8.88 3fewX1 LYS 87 HA -0.00 0.30 0.67 -0.75 4.32 4.53 3fewX1 LYS 87 HB2 -0.04 -0.01 -0.04 -0.04 1.87 1.74 3fewX1 LYS 87 HB3 -0.07 0.11 -0.53 -0.04 1.79 1.26 3fewX1 LYS 87 HG2 -0.43 0.02 -0.55 -0.04 1.46 0.45 3fewX1 LYS 87 HG3 -0.36 0.00 -0.42 -0.04 1.46 0.64 3fewX1 LYS 87 HD2 -0.11 -0.04 -0.19 -0.04 1.69 1.31 3fewX1 LYS 87 HD3 -0.13 -0.08 -0.23 -0.04 1.68 1.20 3fewX1 LYS 87 HE2 -0.32 0.14 -0.08 -0.04 2.99 2.69 3fewX1 LYS 87 HE3 -0.88 -0.03 -0.11 -0.04 2.99 1.93 3fewX1 THR 88 H 0.06 0.63 0.20 -0.55 8.28 8.62 3fewX1 THR 88 HA 0.05 0.28 0.84 -0.75 4.39 4.81 3fewX1 THR 88 HB 0.08 0.02 -0.01 -0.04 4.32 4.37 3fewX1 THR 88 HG23 0.14 -0.05 -0.04 -0.04 1.22 1.23 3fewX1 PRO 89 HA 0.08 -0.03 0.53 -0.51 4.44 4.51 3fewX1 PRO 89 HB2 0.07 0.18 -0.01 -0.04 2.28 2.48 3fewX1 PRO 89 HB3 0.03 0.07 -0.15 -0.04 2.02 1.93 3fewX1 PRO 89 HG2 0.03 -0.03 0.05 -0.04 2.03 2.05 3fewX1 PRO 89 HG3 0.02 0.10 -0.08 -0.04 2.03 2.04 3fewX1 PRO 89 HD2 0.05 0.19 0.33 -0.04 3.68 4.21 3fewX1 PRO 89 HD3 0.04 0.27 0.08 -0.04 3.65 3.99 3fewX1 VAL 90 H 0.02 0.10 -0.24 -0.55 8.24 7.57 3fewX1 VAL 90 HA 0.06 0.05 0.47 -0.75 4.13 3.95 3fewX1 VAL 90 HB -0.35 -0.05 0.05 -0.04 2.12 1.73 3fewX1 VAL 90 HG13 -1.08 0.01 -0.09 -0.04 0.97 -0.23 3fewX1 VAL 90 HG23 -0.20 0.01 0.09 -0.04 0.95 0.80 3fewX1 TYR 91 H 0.11 0.33 -0.29 -0.55 8.29 7.89 3fewX1 TYR 91 HA 0.20 0.26 0.87 -0.75 4.56 5.13 3fewX1 TYR 91 HB2 0.06 0.08 -0.16 -0.04 3.06 3.00 3fewX1 TYR 91 HB3 0.07 -0.02 0.09 -0.04 2.98 3.08 3fewX1 TYR 91 HD2 0.07 -0.00 -0.14 -0.04 7.15 7.04 3fewX1 TYR 91 HE2 -0.03 0.07 -0.00 -0.04 6.85 6.84 3fewX1 GLY 92 H 0.18 0.31 -0.09 -0.55 8.43 8.29 3fewX1 GLY 92 HA2 0.09 0.04 0.78 -0.51 4.01 4.42 3fewX1 GLY 92 HA3 0.09 0.03 0.21 -0.51 4.01 3.82 3fewX1 VAL 93 H 0.10 0.05 0.01 -0.55 8.24 7.85 3fewX1 VAL 93 HA 0.06 0.01 0.31 -0.75 4.13 3.76 3fewX1 VAL 93 HB 0.05 -0.04 0.18 -0.04 2.12 2.26 3fewX1 VAL 93 HG13 0.08 0.04 0.10 -0.04 0.97 1.15 3fewX1 VAL 93 HG23 0.04 -0.03 0.25 -0.04 0.95 1.17 3fewX1 PRO 94 HA 0.02 0.48 0.85 -0.51 4.44 5.27 3fewX1 PRO 94 HB2 0.01 -0.05 0.16 -0.04 2.28 2.36 3fewX1 PRO 94 HB3 0.01 0.12 0.08 -0.04 2.02 2.19 3fewX1 PRO 94 HG2 0.03 -0.02 0.10 -0.04 2.03 2.10 3fewX1 PRO 94 HG3 0.03 0.14 -0.02 -0.04 2.03 2.15 3fewX1 PRO 94 HD2 0.04 0.03 0.07 -0.04 3.68 3.78 3fewX1 PRO 94 HD3 0.07 0.11 0.16 -0.04 3.65 3.95 3fewX1 GLY 95 H 0.02 0.04 0.06 -0.55 8.43 8.00 3fewX1 GLY 95 HA2 0.03 0.00 0.10 -0.51 4.01 3.63 3fewX1 GLY 95 HA3 0.03 0.26 -0.57 -0.51 4.01 3.22 3fewX1 ALA 96 H 0.01 -0.22 0.03 -0.55 8.40 7.68 3fewX1 ALA 96 HA 0.02 -0.41 0.48 -0.75 4.34 3.67 3fewX1 ALA 96 HB3 0.01 0.06 -0.03 -0.04 1.41 1.41 3fewX1 GLY 97 H 0.01 0.11 0.08 -0.55 8.43 8.09 3fewX1 GLY 97 HA2 0.01 0.13 0.16 -0.51 4.01 3.80 3fewX1 GLY 97 HA3 0.01 0.10 0.19 -0.51 4.01 3.80 3fewX1 GLY 98 H 0.01 0.20 0.14 -0.55 8.43 8.23 3fewX1 GLY 98 HA2 0.01 0.22 0.37 -0.51 4.01 4.10 3fewX1 GLY 98 HA3 0.01 0.10 0.36 -0.51 4.01 3.96 3fewX1 ASN 99 H 0.00 0.12 0.08 -0.55 8.53 8.19 3fewX1 ASN 99 HA 0.01 -0.22 0.26 -0.75 4.76 4.05 3fewX1 ASN 99 HB2 0.00 0.10 -0.08 -0.04 2.88 2.87 3fewX1 ASN 99 HB3 0.00 -0.03 0.01 -0.04 2.79 2.73 3fewX1 ASN 99 HD21 -0.00 0.01 -0.00 -0.04 7.03 7.00 3fewX1 ASN 99 HD22 -0.00 0.00 -0.03 -0.04 7.74 7.68 3fewX1 SER 100 H 0.00 0.14 0.05 -0.55 8.46 8.10 3fewX1 SER 100 HA 0.01 0.22 0.50 -0.75 4.49 4.46 3fewX1 SER 100 HB2 0.00 0.15 0.01 -0.04 3.95 4.07 3fewX1 SER 100 HB3 0.01 0.09 0.08 -0.04 3.93 4.06 3fewX1 ASP 101 H -0.00 0.27 0.13 -0.55 8.40 8.25 3fewX1 ASP 101 HA -0.01 0.01 0.64 -0.75 4.63 4.52 3fewX1 ASP 101 HB2 -0.03 0.02 0.11 -0.04 2.71 2.77 3fewX1 ASP 101 HB3 -0.04 0.19 0.15 -0.04 2.70 2.96 3fewX1 VAL 102 H -0.01 0.11 0.18 -0.55 8.24 7.97 3fewX1 VAL 102 HA -0.01 0.20 0.37 -0.75 4.13 3.94 3fewX1 VAL 102 HB -0.00 0.03 0.10 -0.04 2.12 2.20 3fewX1 VAL 102 HG13 -0.00 -0.01 -0.02 -0.04 0.97 0.90 3fewX1 VAL 102 HG23 -0.00 0.01 -0.01 -0.04 0.95 0.91 3fewX1 GLN 103 H -0.02 -0.00 -0.17 -0.55 8.47 7.74 3fewX1 GLN 103 HA 0.00 0.08 0.39 -0.75 4.36 4.08 3fewX1 GLN 103 HB2 -0.04 0.00 -0.05 -0.04 2.15 2.02 3fewX1 GLN 103 HB3 -0.03 0.02 -0.09 -0.04 2.02 1.89 3fewX1 GLN 103 HG2 -0.00 0.02 -0.05 -0.04 2.40 2.32 3fewX1 GLN 103 HG3 -0.01 -0.07 -0.04 -0.04 2.39 2.24 3fewX1 GLN 103 HE21 0.00 -0.02 -0.07 -0.04 6.97 6.84 3fewX1 GLN 103 HE22 -0.00 -0.00 -0.06 -0.04 7.69 7.59 3fewX1 GLY 104 H -0.02 0.15 -0.55 -0.55 8.43 7.46 3fewX1 GLY 104 HA2 0.02 0.13 0.06 -0.51 4.01 3.71 3fewX1 GLY 104 HA3 0.02 0.03 0.11 -0.51 4.01 3.66 3fewX1 GLY 105 H 0.07 0.48 0.00 -0.55 8.43 8.44 3fewX1 GLY 105 HA2 -0.14 0.08 0.83 -0.51 4.01 4.27 3fewX1 GLY 105 HA3 0.06 0.32 -0.04 -0.51 4.01 3.84 3fewX1 TYR 106 H -0.07 0.04 0.12 -0.55 8.29 7.83 3fewX1 TYR 106 HA 0.03 0.31 0.67 -0.75 4.56 4.82 3fewX1 TYR 106 HB2 -0.01 -0.06 0.04 -0.04 3.06 2.99 3fewX1 TYR 106 HB3 -0.02 0.06 0.09 -0.04 2.98 3.07 3fewX1 TYR 106 HD2 0.01 0.08 0.02 -0.04 7.15 7.21 3fewX1 TYR 106 HE2 0.01 -0.01 -0.06 -0.04 6.85 6.74 3fewX1 ILE 107 H 0.10 0.15 0.15 -0.55 8.25 8.10 3fewX1 ILE 107 HA -0.40 0.14 0.54 -0.75 4.18 3.69 3fewX1 ILE 107 HB -0.04 -0.10 0.10 -0.04 1.89 1.80 3fewX1 ILE 107 HG12 0.01 0.07 -0.03 -0.04 1.49 1.50 3fewX1 ILE 107 HG13 0.06 -0.03 -0.01 -0.04 1.21 1.18 3fewX1 ILE 107 HG23 -0.21 0.05 -0.13 -0.04 0.93 0.59 3fewX1 ILE 107 HD13 -0.00 0.01 -0.15 -0.04 0.88 0.70 3fewX1 PRO 108 HA -0.11 -0.00 0.40 -0.51 4.44 4.22 3fewX1 PRO 108 HB2 -0.16 0.04 -0.07 -0.04 2.28 2.05 3fewX1 PRO 108 HB3 -0.12 -0.07 0.09 -0.04 2.02 1.87 3fewX1 PRO 108 HG2 -0.43 0.07 0.01 -0.04 2.03 1.64 3fewX1 PRO 108 HG3 -0.37 0.04 -0.05 -0.04 2.03 1.61 3fewX1 PRO 108 HD2 -1.00 0.14 0.16 -0.04 3.68 2.93 3fewX1 PRO 108 HD3 -1.46 0.24 0.22 -0.04 3.65 2.61 3fewX1 GLU 109 H -0.07 0.07 0.18 -0.55 8.60 8.24 3fewX1 GLU 109 HA -0.07 0.00 0.56 -0.75 4.29 4.03 3fewX1 GLU 109 HB2 -0.04 0.00 0.10 -0.04 2.09 2.10 3fewX1 GLU 109 HB3 -0.06 0.00 0.11 -0.04 1.99 2.01 3fewX1 GLU 109 HG2 -0.04 -0.09 0.12 -0.04 2.34 2.29 3fewX1 GLU 109 HG3 -0.04 0.00 -0.15 -0.04 2.34 2.12 3fewX1 ASN 110 H -0.06 0.06 -0.08 -0.55 8.53 7.89 3fewX1 ASN 110 HA -0.04 0.31 0.89 -0.75 4.76 5.16 3fewX1 ASN 110 HB2 -0.03 0.04 -0.02 -0.04 2.88 2.82 3fewX1 ASN 110 HB3 -0.03 -0.08 0.13 -0.04 2.79 2.76 3fewX1 ASN 110 HD21 -0.02 0.04 -0.03 -0.04 7.03 6.98 3fewX1 ASN 110 HD22 -0.02 0.01 -0.02 -0.04 7.74 7.67 3fewX1 PRO 111 HA -0.05 0.15 0.36 -0.51 4.44 4.39 3fewX1 PRO 111 HB2 -0.03 0.01 0.01 -0.04 2.28 2.23 3fewX1 PRO 111 HB3 -0.05 0.11 0.09 -0.04 2.02 2.12 3fewX1 PRO 111 HG2 -0.02 -0.01 0.04 -0.04 2.03 1.99 3fewX1 PRO 111 HG3 -0.03 0.08 0.06 -0.04 2.03 2.11 3fewX1 PRO 111 HD2 -0.03 0.05 0.24 -0.04 3.68 3.90 3fewX1 PRO 111 HD3 -0.04 0.28 0.16 -0.04 3.65 4.02 3fewX1 ASN 112 H -0.02 0.05 -0.32 -0.55 8.53 7.69 3fewX1 ASN 112 HA -0.01 0.33 1.05 -0.75 4.76 5.38 3fewX1 ASN 112 HB2 -0.01 -0.00 0.18 -0.04 2.88 3.00 3fewX1 ASN 112 HB3 -0.01 0.05 0.06 -0.04 2.79 2.85 3fewX1 ASN 112 HD21 -0.01 0.01 -0.02 -0.04 7.03 6.97 3fewX1 ASN 112 HD22 -0.01 0.03 -0.03 -0.04 7.74 7.70 3fewX1 ASP 113 H -0.03 0.43 -0.14 -0.55 8.40 8.12 3fewX1 ASP 113 HA -0.01 0.09 0.69 -0.75 4.63 4.64 3fewX1 ASP 113 HB2 -0.03 0.10 0.14 -0.04 2.71 2.88 3fewX1 ASP 113 HB3 -0.01 -0.06 0.07 -0.04 2.70 2.66 3fewX1 GLU 114 H -0.01 0.15 0.15 -0.55 8.60 8.34 3fewX1 GLU 114 HA -0.03 0.10 0.40 -0.75 4.29 4.00 3fewX1 GLU 114 HB2 -0.01 -0.07 0.17 -0.04 2.09 2.14 3fewX1 GLU 114 HB3 -0.03 0.09 0.01 -0.04 1.99 2.03 3fewX1 GLU 114 HG2 -0.02 0.04 0.09 -0.04 2.34 2.41 3fewX1 GLU 114 HG3 -0.01 -0.03 0.13 -0.04 2.34 2.39 3fewX1 VAL 115 H 0.02 0.05 -0.12 -0.55 8.24 7.64 3fewX1 VAL 115 HA -0.02 0.12 0.27 -0.75 4.13 3.74 3fewX1 VAL 115 HB 0.34 0.14 0.00 -0.04 2.12 2.56 3fewX1 VAL 115 HG13 0.10 0.02 -0.11 -0.04 0.97 0.94 3fewX1 VAL 115 HG23 0.07 -0.01 0.00 -0.04 0.95 0.98 3fewX1 ALA 116 H 0.02 0.03 -0.44 -0.55 8.40 7.46 3fewX1 ALA 116 HA 0.22 0.14 0.65 -0.75 4.34 4.60 3fewX1 ALA 116 HB3 -0.03 0.00 0.08 -0.04 1.41 1.42 3fewX1 ARG 117 H -0.00 0.61 0.02 -0.55 8.46 8.53 3fewX1 ARG 117 HA 0.01 -0.04 0.33 -0.75 4.34 3.89 3fewX1 ARG 117 HB2 -0.03 0.10 0.04 -0.04 1.90 1.97 3fewX1 ARG 117 HB3 -0.04 -0.02 -0.06 -0.04 1.80 1.64 3fewX1 ARG 117 HG2 -0.01 -0.07 0.07 -0.04 1.67 1.62 3fewX1 ARG 117 HG3 -0.01 0.10 0.15 -0.04 1.67 1.87 3fewX1 ARG 117 HD2 -0.01 -0.07 0.03 -0.04 3.22 3.13 3fewX1 ARG 117 HD3 -0.02 0.22 -0.10 -0.04 3.22 3.29 3fewX1 LYS 118 H -0.13 0.50 -0.23 -0.55 8.42 8.00 3fewX1 LYS 118 HA -0.30 -0.02 0.40 -0.75 4.32 3.64 3fewX1 LYS 118 HB2 -0.35 -0.03 0.06 -0.04 1.87 1.51 3fewX1 LYS 118 HB3 -0.58 0.19 -0.03 -0.04 1.79 1.33 3fewX1 LYS 118 HG2 -1.82 0.03 -0.19 -0.04 1.46 -0.56 3fewX1 LYS 118 HG3 -0.70 -0.08 0.04 -0.04 1.46 0.68 3fewX1 LYS 118 HD2 -0.71 0.13 0.04 -0.04 1.69 1.12 3fewX1 LYS 118 HD3 -1.50 0.00 0.01 -0.04 1.68 0.15 3fewX1 LYS 118 HE2 -0.28 -0.05 0.01 -0.04 2.99 2.63 3fewX1 LYS 118 HE3 -0.24 -0.09 -0.03 -0.04 2.99 2.60 3fewX1 TRP 119 H 0.02 0.50 -0.29 -0.55 7.97 7.65 3fewX1 TRP 119 HA -0.08 0.23 0.88 -0.75 4.62 4.89 3fewX1 TRP 119 HB2 0.28 0.04 0.10 -0.04 3.23 3.62 3fewX1 TRP 119 HB3 -0.04 -0.10 0.16 -0.04 3.23 3.22 3fewX1 TRP 119 HD1 0.07 0.08 0.07 -0.04 7.22 7.41 3fewX1 TRP 119 HE1 -0.36 0.37 0.14 -0.04 10.20 10.31 3fewX1 TRP 119 HE3 -0.23 0.01 0.05 -0.04 7.59 7.39 3fewX1 TRP 119 HZ2 -1.89 0.04 0.08 -0.04 7.44 5.64 3fewX1 TRP 119 HZ3 -0.21 -0.03 0.06 -0.04 7.13 6.91 3fewX1 TRP 119 HH2 -0.59 -0.07 0.06 -0.04 7.19 6.55 3fewX1 ASP 120 H 0.08 0.41 -0.08 -0.55 8.40 8.26 3fewX1 ASP 120 HA 0.09 -0.15 0.50 -0.75 4.63 4.31 3fewX1 ASP 120 HB2 0.02 0.21 0.12 -0.04 2.71 3.01 3fewX1 ASP 120 HB3 0.03 -0.18 0.06 -0.04 2.70 2.57 3fewX1 LYS 121 H 0.05 0.03 0.21 -0.55 8.42 8.15 3fewX1 LYS 121 HA 0.05 0.18 0.44 -0.75 4.32 4.23 3fewX1 LYS 121 HB2 0.06 -0.04 0.20 -0.04 1.87 2.05 3fewX1 LYS 121 HB3 0.07 -0.07 0.13 -0.04 1.79 1.88 3fewX1 LYS 121 HG2 0.16 -0.00 -0.08 -0.04 1.46 1.51 3fewX1 LYS 121 HG3 0.23 0.09 0.10 -0.04 1.46 1.84 3fewX1 LYS 121 HD2 0.11 0.02 0.06 -0.04 1.69 1.85 3fewX1 LYS 121 HD3 0.08 -0.07 0.04 -0.04 1.68 1.69 3fewX1 LYS 121 HE2 0.08 -0.07 0.00 -0.04 2.99 2.97 3fewX1 LYS 121 HE3 0.11 -0.04 0.02 -0.04 2.99 3.05 3fewX1 ASN 122 H 0.05 0.01 -0.23 -0.55 8.53 7.81 3fewX1 ASN 122 HA 0.07 0.12 0.33 -0.75 4.76 4.53 3fewX1 ASN 122 HB2 0.03 0.02 0.11 -0.04 2.88 3.00 3fewX1 ASN 122 HB3 0.04 -0.05 0.06 -0.04 2.79 2.80 3fewX1 ASN 122 HD21 0.01 -0.00 -0.03 -0.04 7.03 6.97 3fewX1 ASN 122 HD22 0.02 -0.01 -0.01 -0.04 7.74 7.69 3fewX1 ASN 123 H 0.03 0.41 -0.56 -0.55 8.53 7.86 3fewX1 ASN 123 HA 0.00 0.12 0.91 -0.75 4.76 5.04 3fewX1 ASN 123 HB2 -0.05 0.20 -0.03 -0.04 2.88 2.96 3fewX1 ASN 123 HB3 -0.08 -0.03 0.15 -0.04 2.79 2.78 3fewX1 ASN 123 HD21 -0.02 -0.12 -0.09 -0.04 7.03 6.76 3fewX1 ASN 123 HD22 -0.03 0.43 -0.03 -0.04 7.74 8.07 3fewX1 LEU 124 H 0.07 0.30 -0.16 -0.55 8.37 8.03 3fewX1 LEU 124 HA 0.03 0.13 0.68 -0.75 4.35 4.44 3fewX1 LEU 124 HB2 0.11 0.05 0.10 -0.04 1.64 1.86 3fewX1 LEU 124 HB3 -0.12 0.01 0.04 -0.04 1.64 1.53 3fewX1 LEU 124 HG -0.01 0.14 -0.09 -0.04 1.64 1.64 3fewX1 LEU 124 HD13 -0.50 -0.03 0.02 -0.04 0.93 0.38 3fewX1 LEU 124 HD23 0.07 0.01 0.02 -0.04 0.89 0.96 3fewX1 PRO 125 HA 0.10 -0.03 0.42 -0.51 4.44 4.42 3fewX1 PRO 125 HB2 0.12 0.03 -0.09 -0.04 2.28 2.31 3fewX1 PRO 125 HB3 0.08 0.01 0.12 -0.04 2.02 2.19 3fewX1 PRO 125 HG2 0.15 0.02 0.08 -0.04 2.03 2.23 3fewX1 PRO 125 HG3 0.10 0.02 0.09 -0.04 2.03 2.19 3fewX1 PRO 125 HD2 0.07 0.09 0.24 -0.04 3.68 4.04 3fewX1 PRO 125 HD3 0.06 0.18 0.23 -0.04 3.65 4.07 3fewX1 ARG 126 H 0.10 0.08 0.21 -0.55 8.46 8.30 3fewX1 ARG 126 HA 0.11 0.23 0.81 -0.75 4.34 4.73 3fewX1 ARG 126 HB2 0.04 -0.08 0.07 -0.04 1.90 1.89 3fewX1 ARG 126 HB3 0.00 0.07 0.17 -0.04 1.80 2.00 3fewX1 ARG 126 HG2 0.09 0.11 0.00 -0.04 1.67 1.83 3fewX1 ARG 126 HG3 0.03 -0.09 0.01 -0.04 1.67 1.58 3fewX1 ARG 126 HD2 -0.02 -0.15 -0.18 -0.04 3.22 2.83 3fewX1 ARG 126 HD3 -0.03 0.03 -0.08 -0.04 3.22 3.10 3fewX1 GLU 127 H 0.07 0.06 0.05 -0.55 8.60 8.24 3fewX1 GLU 127 HA 0.04 0.33 0.95 -0.75 4.29 4.86 3fewX1 GLU 127 HB2 0.04 -0.01 0.11 -0.04 2.09 2.20 3fewX1 GLU 127 HB3 0.04 -0.02 -0.09 -0.04 1.99 1.87 3fewX1 GLU 127 HG2 0.03 0.01 -0.17 -0.04 2.34 2.17 3fewX1 GLU 127 HG3 0.03 -0.06 -0.16 -0.04 2.34 2.12 3fewX1 ILE 128 H 0.06 0.74 0.24 -0.55 8.25 8.73 3fewX1 ILE 128 HA 0.07 0.18 0.98 -0.75 4.18 4.66 3fewX1 ILE 128 HB 0.07 -0.08 0.07 -0.04 1.89 1.90 3fewX1 ILE 128 HG12 0.11 -0.04 -0.39 -0.04 1.49 1.13 3fewX1 ILE 128 HG13 0.13 0.08 -0.08 -0.04 1.21 1.31 3fewX1 ILE 128 HG23 0.08 0.02 -0.09 -0.04 0.93 0.90 3fewX1 ILE 128 HD13 0.16 0.05 -0.18 -0.04 0.88 0.87 3fewX1 ASP 129 H 0.06 0.20 0.16 -0.55 8.40 8.27 3fewX1 ASP 129 HA 0.06 0.23 0.96 -0.75 4.63 5.13 3fewX1 ASP 129 HB2 0.04 -0.00 0.16 -0.04 2.71 2.87 3fewX1 ASP 129 HB3 0.04 -0.00 0.01 -0.04 2.70 2.70 3fewX1 VAL 130 H 0.10 0.66 0.44 -0.55 8.24 8.88 3fewX1 VAL 130 HA 0.06 0.19 0.78 -0.75 4.13 4.40 3fewX1 VAL 130 HB 0.06 -0.04 0.09 -0.04 2.12 2.20 3fewX1 VAL 130 HG13 0.05 0.04 -0.31 -0.04 0.97 0.71 3fewX1 VAL 130 HG23 0.11 0.01 -0.09 -0.04 0.95 0.94 3fewX1 SER 131 H 0.07 0.28 0.16 -0.55 8.46 8.42 3fewX1 SER 131 HA 0.11 0.30 0.94 -0.75 4.49 5.08 3fewX1 SER 131 HB2 0.01 0.05 -0.13 -0.04 3.95 3.85 3fewX1 SER 131 HB3 0.03 0.00 -0.08 -0.04 3.93 3.84 3fewX1 ILE 132 H 0.21 0.83 0.21 -0.55 8.25 8.94 3fewX1 ILE 132 HA 0.09 0.16 0.95 -0.75 4.18 4.63 3fewX1 ILE 132 HB 0.27 -0.01 0.10 -0.04 1.89 2.21 3fewX1 ILE 132 HG12 0.19 -0.08 -0.34 -0.04 1.49 1.22 3fewX1 ILE 132 HG13 0.01 0.12 -0.06 -0.04 1.21 1.24 3fewX1 ILE 132 HG23 0.05 0.00 -0.05 -0.04 0.93 0.89 3fewX1 ILE 132 HD13 0.04 0.06 -0.18 -0.04 0.88 0.75 3fewX1 ASP 133 H 0.07 0.22 0.12 -0.55 8.40 8.27 3fewX1 ASP 133 HA 0.04 0.06 0.33 -0.75 4.63 4.31 3fewX1 ASP 133 HB2 0.26 0.11 0.09 -0.04 2.71 3.14 3fewX1 ASP 133 HB3 0.10 -0.01 0.21 -0.04 2.70 2.96 3fewX1 GLY 134 H 0.02 0.10 -0.36 -0.55 8.43 7.64 3fewX1 GLY 134 HA2 -0.10 0.02 0.23 -0.51 4.01 3.65 3fewX1 GLY 134 HA3 -0.21 0.05 0.59 -0.51 4.01 3.93 3fewX1 PHE 135 H 0.22 0.56 -0.48 -0.55 8.34 8.09 3fewX1 PHE 135 HA -0.21 0.13 0.47 -0.75 4.62 4.27 3fewX1 PHE 135 HB2 0.04 0.11 0.13 -0.04 3.15 3.39 3fewX1 PHE 135 HB3 -0.41 0.01 0.00 -0.04 3.06 2.62 3fewX1 PHE 135 HD2 -0.10 0.12 0.05 -0.04 7.28 7.31 3fewX1 PHE 135 HE2 -0.09 -0.03 0.06 -0.04 7.38 7.28 3fewX1 PHE 135 HZ -0.49 -0.05 0.08 -0.04 7.32 6.82 3fewX1 LYS 136 H -0.23 0.56 0.23 -0.55 8.42 8.42 3fewX1 LYS 136 HA -0.06 0.23 0.99 -0.75 4.32 4.72 3fewX1 LYS 136 HB2 -0.12 -0.08 0.08 -0.04 1.87 1.71 3fewX1 LYS 136 HB3 -0.07 0.03 -0.05 -0.04 1.79 1.66 3fewX1 LYS 136 HG2 -0.03 0.05 -0.11 -0.04 1.46 1.33 3fewX1 LYS 136 HG3 -0.06 -0.03 -0.33 -0.04 1.46 1.00 3fewX1 LYS 136 HD2 -0.10 0.10 -0.10 -0.04 1.69 1.56 3fewX1 LYS 136 HD3 -0.06 -0.02 -0.09 -0.04 1.68 1.46 3fewX1 LYS 136 HE2 -0.05 -0.03 -0.06 -0.04 2.99 2.81 3fewX1 LYS 136 HE3 -0.03 0.02 -0.08 -0.04 2.99 2.86 3fewX1 TYR 137 H 0.11 0.77 0.40 -0.55 8.29 9.02 3fewX1 TYR 137 HA 0.03 0.18 1.23 -0.75 4.56 5.24 3fewX1 TYR 137 HB2 0.02 -0.02 -0.00 -0.04 3.06 3.02 3fewX1 TYR 137 HB3 0.01 0.03 -0.06 -0.04 2.98 2.92 3fewX1 TYR 137 HD2 0.03 0.02 -0.21 -0.04 7.15 6.95 3fewX1 TYR 137 HE2 0.01 0.00 -0.11 -0.04 6.85 6.71 3fewX1 ARG 138 H 0.12 0.65 0.34 -0.55 8.46 9.02 3fewX1 ARG 138 HA 0.08 0.29 0.88 -0.75 4.34 4.83 3fewX1 ARG 138 HB2 0.05 -0.02 0.00 -0.04 1.90 1.89 3fewX1 ARG 138 HB3 0.05 -0.06 0.12 -0.04 1.80 1.87 3fewX1 ARG 138 HG2 0.04 0.03 -0.31 -0.04 1.67 1.39 3fewX1 ARG 138 HG3 0.04 0.03 -0.21 -0.04 1.67 1.49 3fewX1 ARG 138 HD2 0.03 -0.04 -0.12 -0.04 3.22 3.05 3fewX1 ARG 138 HD3 0.03 0.02 -0.13 -0.04 3.22 3.10 3fewX1 VAL 139 H 0.06 0.78 0.23 -0.55 8.24 8.76 3fewX1 VAL 139 HA 0.02 0.11 0.92 -0.75 4.13 4.43 3fewX1 VAL 139 HB 0.03 0.03 0.12 -0.04 2.12 2.26 3fewX1 VAL 139 HG13 -0.02 0.05 -0.10 -0.04 0.97 0.86 3fewX1 VAL 139 HG23 0.01 -0.01 -0.23 -0.04 0.95 0.69 3fewX1 THR 140 H 0.00 0.25 0.01 -0.55 8.28 8.00 3fewX1 THR 140 HA 0.00 0.36 0.90 -0.75 4.39 4.89 3fewX1 THR 140 HB -0.01 -0.12 0.02 -0.04 4.32 4.16 3fewX1 THR 140 HG23 -0.01 0.03 -0.13 -0.04 1.22 1.07 3fewX1 LEU 141 H -0.04 0.78 0.35 -0.55 8.37 8.91 3fewX1 LEU 141 HA -0.14 0.14 0.78 -0.75 4.35 4.37 3fewX1 LEU 141 HB2 -0.22 0.08 0.07 -0.04 1.64 1.54 3fewX1 LEU 141 HB3 -0.42 -0.14 -0.17 -0.04 1.64 0.87 3fewX1 LEU 141 HG -0.02 0.02 -0.27 -0.04 1.64 1.33 3fewX1 LEU 141 HD13 0.04 0.06 -0.11 -0.04 0.93 0.88 3fewX1 LEU 141 HD23 -0.09 -0.00 -0.46 -0.04 0.89 0.29 3fewX1 ASN 142 H -0.20 0.59 0.23 -0.55 8.53 8.60 3fewX1 ASN 142 HA -0.12 0.20 0.75 -0.75 4.76 4.84 3fewX1 ASN 142 HB2 -0.10 -0.09 0.21 -0.04 2.88 2.87 3fewX1 ASN 142 HB3 -0.10 0.08 0.11 -0.04 2.79 2.84 3fewX1 ASN 142 HD21 -0.10 0.03 -0.03 -0.04 7.03 6.89 3fewX1 ASN 142 HD22 -0.08 0.05 0.00 -0.04 7.74 7.68 3fewX1 ASP 143 H -0.10 0.14 0.15 -0.55 8.40 8.04 3fewX1 ASP 143 HA -0.08 0.20 0.35 -0.75 4.63 4.34 3fewX1 ASP 143 HB2 -0.02 -0.02 0.09 -0.04 2.71 2.71 3fewX1 ASP 143 HB3 0.03 0.05 0.10 -0.04 2.70 2.84 3fewX1 ASN 144 H -0.18 -0.03 -0.27 -0.55 8.53 7.49 3fewX1 ASN 144 HA -0.03 0.29 0.86 -0.75 4.76 5.13 3fewX1 ASN 144 HB2 -0.11 -0.06 0.02 -0.04 2.88 2.69 3fewX1 ASN 144 HB3 -0.03 0.07 0.14 -0.04 2.79 2.92 3fewX1 ASN 144 HD21 -0.01 0.01 -0.02 -0.04 7.03 6.97 3fewX1 ASN 144 HD22 -0.04 -0.00 -0.01 -0.04 7.74 7.65 3fewX1 GLY 145 H -0.91 0.55 -0.45 -0.55 8.43 7.07 3fewX1 GLY 145 HA2 -1.61 0.10 0.22 -0.51 4.01 2.21 3fewX1 GLY 145 HA3 -2.39 0.11 0.36 -0.51 4.01 1.58 3fewX1 ARG 146 H -0.36 -0.07 -0.20 -0.55 8.46 7.27 3fewX1 ARG 146 HA -0.16 0.22 0.87 -0.75 4.34 4.51 3fewX1 ARG 146 HB2 -0.13 0.10 -0.08 -0.04 1.90 1.74 3fewX1 ARG 146 HB3 -0.14 -0.13 -0.01 -0.04 1.80 1.48 3fewX1 ARG 146 HG2 -0.08 0.11 -0.30 -0.04 1.67 1.36 3fewX1 ARG 146 HG3 -0.08 -0.00 0.02 -0.04 1.67 1.57 3fewX1 ARG 146 HD2 -0.06 0.02 -0.04 -0.04 3.22 3.11 3fewX1 ARG 146 HD3 -0.06 -0.06 -0.06 -0.04 3.22 2.99 3fewX1 ALA 147 H -0.09 0.16 0.13 -0.55 8.40 8.05 3fewX1 ALA 147 HA -0.08 0.23 0.55 -0.75 4.34 4.28 3fewX1 ALA 147 HB3 -0.05 0.01 0.11 -0.04 1.41 1.44 3fewX1 ILE 148 H -0.06 0.56 0.42 -0.55 8.25 8.62 3fewX1 ILE 148 HA -0.04 0.16 0.86 -0.75 4.18 4.40 3fewX1 ILE 148 HB -0.04 -0.03 0.13 -0.04 1.89 1.90 3fewX1 ILE 148 HG12 -0.07 0.03 -0.16 -0.04 1.49 1.25 3fewX1 ILE 148 HG13 -0.04 0.03 -0.27 -0.04 1.21 0.88 3fewX1 ILE 148 HG23 -0.07 0.02 -0.18 -0.04 0.93 0.67 3fewX1 ILE 148 HD13 -0.05 -0.01 -0.12 -0.04 0.88 0.66 3fewX1 GLY 149 H -0.04 0.30 0.25 -0.55 8.43 8.39 3fewX1 GLY 149 HA2 -0.01 0.12 0.69 -0.51 4.01 4.30 3fewX1 GLY 149 HA3 -0.01 0.03 0.28 -0.51 4.01 3.80 3fewX1 ILE 150 H 0.01 0.32 0.23 -0.55 8.25 8.25 3fewX1 ILE 150 HA 0.03 0.22 0.72 -0.75 4.18 4.39 3fewX1 ILE 150 HB -0.03 0.06 -0.16 -0.04 1.89 1.72 3fewX1 ILE 150 HG12 0.11 -0.05 -0.17 -0.04 1.49 1.34 3fewX1 ILE 150 HG13 0.04 0.08 -0.05 -0.04 1.21 1.24 3fewX1 ILE 150 HG23 -0.01 -0.02 -0.12 -0.04 0.93 0.74 3fewX1 ILE 150 HD13 -0.26 -0.01 -0.06 -0.04 0.88 0.50 3fewX1 LEU 151 H 0.10 0.63 0.29 -0.55 8.37 8.84 3fewX1 LEU 151 HA 0.07 0.10 0.78 -0.75 4.35 4.56 3fewX1 LEU 151 HB2 0.04 0.04 -0.03 -0.04 1.64 1.65 3fewX1 LEU 151 HB3 0.06 0.01 0.16 -0.04 1.64 1.83 3fewX1 LEU 151 HG 0.04 0.00 -0.39 -0.04 1.64 1.26 3fewX1 LEU 151 HD13 0.04 -0.01 0.03 -0.04 0.93 0.94 3fewX1 LEU 151 HD23 0.03 -0.00 -0.06 -0.04 0.89 0.81 3fewX1 ARG 152 H 0.10 0.16 0.10 -0.55 8.46 8.27 3fewX1 ARG 152 HA 0.01 0.16 0.92 -0.75 4.34 4.67 3fewX1 ARG 152 HB2 0.19 -0.01 0.07 -0.04 1.90 2.11 3fewX1 ARG 152 HB3 0.06 -0.02 0.13 -0.04 1.80 1.93 3fewX1 ARG 152 HG2 -0.07 -0.05 -0.19 -0.04 1.67 1.32 3fewX1 ARG 152 HG3 -0.44 0.13 0.07 -0.04 1.67 1.38 3fewX1 ARG 152 HD2 0.04 0.01 -0.04 -0.04 3.22 3.19 3fewX1 ARG 152 HD3 0.15 -0.01 -0.03 -0.04 3.22 3.29 3fewX1 THR 153 H -0.13 0.85 0.45 -0.55 8.28 8.90 3fewX1 THR 153 HA -0.01 0.14 0.53 -0.75 4.39 4.30 3fewX1 THR 153 HB 0.01 -0.03 -0.12 -0.04 4.32 4.14 3fewX1 THR 153 HG23 -0.04 -0.01 -0.31 -0.04 1.22 0.83 3fewX1 GLY 154 H -0.15 0.33 0.24 -0.55 8.43 8.30 3fewX1 GLY 154 HA2 -0.08 0.07 0.56 -0.51 4.01 4.05 3fewX1 GLY 154 HA3 -0.10 0.08 0.31 -0.51 4.01 3.79 3fewX1 VAL 155 H -0.20 0.11 0.13 -0.55 8.24 7.74 3fewX1 VAL 155 HA -0.26 0.11 0.61 -0.75 4.13 3.84 3fewX1 VAL 155 HB -0.56 -0.03 0.06 -0.04 2.12 1.56 3fewX1 VAL 155 HG13 -0.44 0.01 -0.02 -0.04 0.97 0.48 3fewX1 VAL 155 HG23 -0.62 -0.01 -0.02 -0.04 0.95 0.26 3fewX1 ARG 156 H -1.09 0.06 0.09 -0.55 8.46 6.97 3fewX1 ARG 156 HA -0.50 0.30 0.72 -0.75 4.34 4.12 3fewX1 ARG 156 HB2 -0.53 0.04 0.16 -0.04 1.90 1.53 3fewX1 ARG 156 HB3 -1.52 0.08 0.07 -0.04 1.80 0.39 3fewX1 ARG 156 HG2 -1.47 -0.04 0.04 -0.04 1.67 0.16 3fewX1 ARG 156 HG3 -0.65 -0.08 -0.29 -0.04 1.67 0.62 3fewX1 ARG 156 HD2 -0.35 0.04 0.04 -0.04 3.22 2.91 3fewX1 ARG 156 HD3 -0.39 0.07 0.04 -0.04 3.22 2.91 3fewX1 PRO 157 HA -0.23 0.15 0.55 -0.51 4.44 4.40 3fewX1 PRO 157 HB2 -0.03 -0.15 0.00 -0.04 2.28 2.06 3fewX1 PRO 157 HB3 -0.08 0.16 0.08 -0.04 2.02 2.14 3fewX1 PRO 157 HG2 -0.09 -0.07 0.06 -0.04 2.03 1.89 3fewX1 PRO 157 HG3 -0.09 0.15 0.07 -0.04 2.03 2.12 3fewX1 PRO 157 HD2 -0.22 0.10 0.21 -0.04 3.68 3.73 3fewX1 PRO 157 HD3 -0.20 0.30 0.21 -0.04 3.65 3.92 3fewX1 TYR 158 H -0.17 0.28 0.05 -0.55 8.29 7.91 3fewX1 TYR 158 HA 0.19 0.13 0.28 -0.75 4.56 4.41 3fewX1 TYR 158 HB2 0.05 0.00 0.10 -0.04 3.06 3.17 3fewX1 TYR 158 HB3 0.08 -0.46 0.10 -0.04 2.98 2.66 3fewX1 TYR 158 HD2 0.09 -0.01 -0.01 -0.04 7.15 7.18 3fewX1 TYR 158 HE2 -0.01 0.07 -0.04 -0.04 6.85 6.83 3fewX1 VAL 159 H 0.23 -0.19 0.11 -0.55 8.24 7.84 3fewX1 VAL 159 HA 0.07 0.16 -0.02 -0.75 4.13 3.59 3fewX1 VAL 159 HB 0.04 0.22 0.01 -0.04 2.12 2.35 3fewX1 VAL 159 HG13 0.01 0.03 -0.04 -0.04 0.97 0.93 3fewX1 VAL 159 HG23 0.05 0.05 0.04 -0.04 0.95 1.05 3fewX1 GLY 160 H 0.15 -0.00 0.10 -0.55 8.43 8.13 3fewX1 GLY 160 HA2 0.08 0.42 0.06 -0.51 4.01 4.06 3fewX1 GLY 160 HA3 0.07 -0.03 -0.01 -0.51 4.01 3.53 3fewX1 SER 161 H 0.02 0.32 0.07 -0.55 8.46 8.33 3fewX1 SER 161 HA 0.02 -0.20 0.32 -0.75 4.49 3.87 3fewX1 SER 161 HB2 0.00 0.15 0.16 -0.04 3.95 4.22 3fewX1 SER 161 HB3 0.00 0.17 0.18 -0.04 3.93 4.25 3fewX1 GLU 162 H 0.05 -0.19 0.22 -0.55 8.60 8.14 3fewX1 GLU 162 HA 0.01 0.42 0.89 -0.75 4.29 4.87 3fewX1 GLU 162 HB2 0.26 -0.53 0.18 -0.04 2.09 1.97 3fewX1 GLU 162 HB3 0.27 0.22 0.04 -0.04 1.99 2.48 3fewX1 GLU 162 HG2 0.20 0.30 0.06 -0.04 2.34 2.85 3fewX1 GLU 162 HG3 0.14 -0.06 -0.05 -0.04 2.34 2.33 3fewX1 LYS 163 H -0.09 -0.12 0.15 -0.55 8.42 7.80 3fewX1 LYS 163 HA -0.80 0.15 0.40 -0.75 4.32 3.32 3fewX1 LYS 163 HB2 -0.08 -0.16 0.17 -0.04 1.87 1.76 3fewX1 LYS 163 HB3 -0.09 0.02 0.13 -0.04 1.79 1.81 3fewX1 LYS 163 HG2 -0.14 0.09 -0.09 -0.04 1.46 1.29 3fewX1 LYS 163 HG3 -0.11 0.02 0.05 -0.04 1.46 1.38 3fewX1 LYS 163 HD2 0.01 -0.08 0.02 -0.04 1.69 1.59 3fewX1 LYS 163 HD3 -0.03 0.08 -0.03 -0.04 1.68 1.66 3fewX1 LYS 163 HE2 0.01 0.10 -0.01 -0.04 2.99 3.05 3fewX1 LYS 163 HE3 0.01 0.05 -0.01 -0.04 2.99 3.00 3fewX1 ALA 164 H -0.09 0.01 -0.14 -0.55 8.40 7.64 3fewX1 ALA 164 HA -0.08 0.14 0.39 -0.75 4.34 4.04 3fewX1 ALA 164 HB3 -0.04 0.04 0.01 -0.04 1.41 1.38 3fewX1 LYS 165 H -0.09 -0.04 -0.60 -0.55 8.42 7.14 3fewX1 LYS 165 HA -0.06 0.14 0.53 -0.75 4.32 4.18 3fewX1 LYS 165 HB2 -0.05 -0.00 0.21 -0.04 1.87 1.98 3fewX1 LYS 165 HB3 -0.03 0.06 0.03 -0.04 1.79 1.80 3fewX1 LYS 165 HG2 -0.02 0.04 0.03 -0.04 1.46 1.46 3fewX1 LYS 165 HG3 -0.02 -0.02 0.06 -0.04 1.46 1.44 3fewX1 LYS 165 HD2 0.01 0.01 0.06 -0.04 1.69 1.72 3fewX1 LYS 165 HD3 0.02 -0.10 0.13 -0.04 1.68 1.68 3fewX1 LYS 165 HE2 0.02 0.03 0.02 -0.04 2.99 3.02 3fewX1 LYS 165 HE3 0.01 -0.00 0.01 -0.04 2.99 2.97 3fewX1 ALA 166 H -0.21 0.71 0.12 -0.55 8.40 8.48 3fewX1 ALA 166 HA -0.11 0.05 0.44 -0.75 4.34 3.97 3fewX1 ALA 166 HB3 -0.33 -0.00 0.10 -0.04 1.41 1.14 3fewX1 GLY 167 H -0.16 0.63 -0.09 -0.55 8.43 8.27 3fewX1 GLY 167 HA2 -0.07 0.02 0.44 -0.51 4.01 3.89 3fewX1 GLY 167 HA3 -0.08 0.07 0.27 -0.51 4.01 3.76 3fewX1 ILE 168 H -0.07 0.33 -0.32 -0.55 8.25 7.64 3fewX1 ILE 168 HA -0.06 0.03 0.48 -0.75 4.18 3.88 3fewX1 ILE 168 HB -0.06 0.13 0.18 -0.04 1.89 2.11 3fewX1 ILE 168 HG12 -0.05 0.34 0.20 -0.04 1.49 1.94 3fewX1 ILE 168 HG13 -0.04 -0.04 0.05 -0.04 1.21 1.15 3fewX1 ILE 168 HG23 -0.05 -0.01 -0.04 -0.04 0.93 0.79 3fewX1 ILE 168 HD13 -0.04 -0.02 -0.02 -0.04 0.88 0.76 3fewX1 MET 169 H -0.07 0.47 -0.05 -0.55 8.47 8.27 3fewX1 MET 169 HA -0.08 0.02 0.38 -0.75 4.52 4.09 3fewX1 MET 169 HB2 -0.08 0.03 0.17 -0.04 2.15 2.24 3fewX1 MET 169 HB3 -0.07 -0.02 -0.04 -0.04 2.03 1.85 3fewX1 MET 169 HG2 -0.05 0.01 0.00 -0.04 2.63 2.55 3fewX1 MET 169 HG3 -0.05 0.03 0.01 -0.04 2.56 2.50 3fewX1 MET 169 HE3 -0.02 0.02 -0.05 -0.04 2.10 2.00 3fewX1 GLU 170 H -0.07 0.55 -0.17 -0.55 8.60 8.37 3fewX1 GLU 170 HA -0.04 0.20 0.49 -0.75 4.29 4.19 3fewX1 GLU 170 HB2 -0.05 -0.05 0.07 -0.04 2.09 2.02 3fewX1 GLU 170 HB3 -0.04 0.03 0.20 -0.04 1.99 2.13 3fewX1 GLU 170 HG2 -0.00 0.04 -0.23 -0.04 2.34 2.11 3fewX1 GLU 170 HG3 -0.01 0.01 -0.03 -0.04 2.34 2.27 3fewX1 LYS 171 H -0.05 0.56 0.08 -0.55 8.42 8.45 3fewX1 LYS 171 HA 0.03 0.09 0.30 -0.75 4.32 3.99 3fewX1 LYS 171 HB2 -0.03 0.03 0.12 -0.04 1.87 1.95 3fewX1 LYS 171 HB3 -0.00 -0.00 0.05 -0.04 1.79 1.79 3fewX1 LYS 171 HG2 0.00 -0.01 0.01 -0.04 1.46 1.43 3fewX1 LYS 171 HG3 -0.02 0.01 0.12 -0.04 1.46 1.53 3fewX1 LYS 171 HD2 -0.02 -0.00 0.01 -0.04 1.69 1.64 3fewX1 LYS 171 HD3 -0.00 0.01 0.01 -0.04 1.68 1.66 3fewX1 LYS 171 HE2 -0.02 -0.05 0.03 -0.04 2.99 2.91 3fewX1 LYS 171 HE3 -0.01 -0.02 0.00 -0.04 2.99 2.92 3fewX1 ILE 172 H -0.12 0.36 -0.02 -0.55 8.25 7.93 3fewX1 ILE 172 HA -0.17 0.16 0.73 -0.75 4.18 4.15 3fewX1 ILE 172 HB -0.11 0.10 0.14 -0.04 1.89 1.97 3fewX1 ILE 172 HG12 -0.07 -0.04 0.11 -0.04 1.49 1.46 3fewX1 ILE 172 HG13 -0.06 -0.05 0.05 -0.04 1.21 1.11 3fewX1 ILE 172 HG23 -0.08 -0.01 -0.04 -0.04 0.93 0.76 3fewX1 ILE 172 HD13 -0.04 0.01 -0.09 -0.04 0.88 0.72 3fewX1 ASN 173 H -0.21 0.27 0.02 -0.55 8.53 8.05 3fewX1 ASN 173 HA -0.27 0.15 0.67 -0.75 4.76 4.55 3fewX1 ASN 173 HB2 -0.11 0.09 0.13 -0.04 2.88 2.96 3fewX1 ASN 173 HB3 -0.08 -0.03 0.11 -0.04 2.79 2.75 3fewX1 ASN 173 HD21 -0.06 -0.03 -0.07 -0.04 7.03 6.82 3fewX1 ASN 173 HD22 -0.08 0.06 -0.04 -0.04 7.74 7.64 3fewX1 HIS 174 H -0.34 0.12 -0.41 -0.55 8.41 7.23 3fewX1 HIS 174 HA -0.03 0.29 0.33 -0.75 4.63 4.47 3fewX1 HIS 174 HB2 -0.02 0.03 0.07 -0.04 3.26 3.30 3fewX1 HIS 174 HB3 -0.02 -0.07 0.10 -0.04 3.20 3.17 3fewX1 HIS 174 HD2 -0.01 -0.03 -0.17 -0.04 6.97 6.72 3fewX1 HIS 174 HE1 -0.01 0.00 0.04 -0.04 7.75 7.74 3fewX1 LYS 175 H -0.04 0.55 -0.06 -0.55 8.42 8.31 3fewX1 LYS 175 HA -0.01 0.05 0.58 -0.75 4.32 4.19 3fewX1 LYS 175 HB2 -0.07 -0.06 -0.16 -0.04 1.87 1.55 3fewX1 LYS 175 HB3 -0.06 -0.09 -0.15 -0.04 1.79 1.45 3fewX1 LYS 175 HG2 -0.05 0.12 -0.12 -0.04 1.46 1.36 3fewX1 LYS 175 HG3 -0.05 -0.09 -0.06 -0.04 1.46 1.22 3fewX1 LYS 175 HD2 -0.03 -0.08 -0.04 -0.04 1.69 1.50 3fewX1 LYS 175 HD3 -0.02 0.03 -0.01 -0.04 1.68 1.64 3fewX1 LYS 175 HE2 -0.03 0.11 -0.02 -0.04 2.99 3.01 3fewX1 LYS 175 HE3 -0.03 -0.06 -0.02 -0.04 2.99 2.85 3fewX1 THR 176 H -0.03 0.11 0.17 -0.55 8.28 7.98 3fewX1 THR 176 HA -0.04 0.20 0.40 -0.75 4.39 4.20 3fewX1 THR 176 HB -0.02 0.13 0.15 -0.04 4.32 4.53 3fewX1 THR 176 HG23 -0.05 -0.09 -0.04 -0.04 1.22 1.00 3fewX1 PRO 177 HA -0.31 0.08 0.38 -0.51 4.44 4.07 3fewX1 PRO 177 HB2 -0.10 0.01 0.03 -0.04 2.28 2.18 3fewX1 PRO 177 HB3 -0.12 0.02 0.05 -0.04 2.02 1.92 3fewX1 PRO 177 HG2 -0.01 0.09 0.08 -0.04 2.03 2.15 3fewX1 PRO 177 HG3 -0.04 0.07 0.09 -0.04 2.03 2.11 3fewX1 PRO 177 HD2 -0.05 0.10 0.21 -0.04 3.68 3.90 3fewX1 PRO 177 HD3 -0.05 0.23 0.21 -0.04 3.65 4.01 3fewX1 GLU 178 H -0.15 0.19 -0.18 -0.55 8.60 7.91 3fewX1 GLU 178 HA -0.13 0.07 0.49 -0.75 4.29 3.96 3fewX1 GLU 178 HB2 0.04 0.05 0.07 -0.04 2.09 2.21 3fewX1 GLU 178 HB3 -0.00 0.05 -0.01 -0.04 1.99 1.98 3fewX1 GLU 178 HG2 0.08 0.08 -0.01 -0.04 2.34 2.45 3fewX1 GLU 178 HG3 0.11 -0.03 -0.01 -0.04 2.34 2.36 3fewX1 GLU 179 H -0.14 0.23 -0.30 -0.55 8.60 7.85 3fewX1 GLU 179 HA -0.04 0.07 0.56 -0.75 4.29 4.13 3fewX1 GLU 179 HB2 -0.08 0.18 0.05 -0.04 2.09 2.20 3fewX1 GLU 179 HB3 -0.05 0.03 0.01 -0.04 1.99 1.94 3fewX1 GLU 179 HG2 -0.02 0.04 0.04 -0.04 2.34 2.36 3fewX1 GLU 179 HG3 -0.03 -0.08 0.00 -0.04 2.34 2.19 3fewX1 ILE 180 H -0.30 0.32 -0.40 -0.55 8.25 7.32 3fewX1 ILE 180 HA -0.12 0.06 0.36 -0.75 4.18 3.74 3fewX1 ILE 180 HB -0.45 0.29 0.15 -0.04 1.89 1.83 3fewX1 ILE 180 HG12 -0.11 -0.07 -0.08 -0.04 1.49 1.20 3fewX1 ILE 180 HG13 -0.15 0.09 -0.23 -0.04 1.21 0.88 3fewX1 ILE 180 HG23 -0.06 -0.04 -0.09 -0.04 0.93 0.70 3fewX1 ILE 180 HD13 -0.11 -0.01 -0.15 -0.04 0.88 0.57 3fewX1 TYR 181 H -0.47 0.31 -0.26 -0.55 8.29 7.32 3fewX1 TYR 181 HA -0.56 0.00 0.38 -0.75 4.56 3.63 3fewX1 TYR 181 HB2 -0.01 0.14 0.05 -0.04 3.06 3.21 3fewX1 TYR 181 HB3 -0.03 -0.06 -0.00 -0.04 2.98 2.84 3fewX1 TYR 181 HD2 -0.31 -0.04 -0.03 -0.04 7.15 6.72 3fewX1 TYR 181 HE2 -0.09 -0.03 -0.10 -0.04 6.85 6.59 3fewX1 GLU 182 H 0.05 0.46 -0.16 -0.55 8.60 8.41 3fewX1 GLU 182 HA 0.11 -0.05 0.44 -0.75 4.29 4.04 3fewX1 GLU 182 HB2 0.06 0.03 0.11 -0.04 2.09 2.26 3fewX1 GLU 182 HB3 0.02 0.08 0.17 -0.04 1.99 2.23 3fewX1 GLU 182 HG2 0.03 0.03 -0.02 -0.04 2.34 2.34 3fewX1 GLU 182 HG3 0.04 0.03 -0.25 -0.04 2.34 2.11 3fewX1 ALA 183 H 0.00 0.55 -0.16 -0.55 8.40 8.25 3fewX1 ALA 183 HA 0.03 0.05 0.34 -0.75 4.34 4.00 3fewX1 ALA 183 HB3 -0.01 0.02 0.09 -0.04 1.41 1.47 3fewX1 LEU 184 H 0.05 0.24 -0.59 -0.55 8.37 7.52 3fewX1 LEU 184 HA 0.10 0.17 0.79 -0.75 4.35 4.66 3fewX1 LEU 184 HB2 -0.03 0.03 0.11 -0.04 1.64 1.70 3fewX1 LEU 184 HB3 0.24 -0.15 0.16 -0.04 1.64 1.86 3fewX1 LEU 184 HG -0.01 0.35 0.02 -0.04 1.64 1.95 3fewX1 LEU 184 HD13 0.08 -0.07 -0.02 -0.04 0.93 0.87 3fewX1 LEU 184 HD23 0.05 -0.00 -0.05 -0.04 0.89 0.85 3fewX1 GLY 185 H 0.14 0.56 -0.20 -0.55 8.43 8.39 3fewX1 GLY 185 HA2 0.13 0.06 0.36 -0.51 4.01 4.04 3fewX1 GLY 185 HA3 0.15 0.11 0.52 -0.51 4.01 4.27 3fewX1 PHE 186 H 0.47 0.50 -0.08 -0.55 8.34 8.67 3fewX1 PHE 186 HA 0.19 0.06 0.36 -0.75 4.62 4.47 3fewX1 PHE 186 HB2 0.21 0.15 0.03 -0.04 3.15 3.49 3fewX1 PHE 186 HB3 0.26 -0.01 -0.00 -0.04 3.06 3.26 3fewX1 PHE 186 HD2 0.01 0.03 -0.08 -0.04 7.28 7.20 3fewX1 PHE 186 HE2 -0.15 0.07 -0.02 -0.04 7.38 7.24 3fewX1 PHE 186 HZ -0.14 -0.21 -0.19 -0.04 7.32 6.74 3fewX1 ASN 187 H 0.17 0.09 -0.58 -0.55 8.53 7.67 3fewX1 ASN 187 HA 0.01 0.19 0.76 -0.75 4.76 4.96 3fewX1 ASN 187 HB2 0.08 0.05 -0.02 -0.04 2.88 2.95 3fewX1 ASN 187 HB3 0.05 0.01 0.08 -0.04 2.79 2.88 3fewX1 ASN 187 HD21 0.14 0.01 -0.10 -0.04 7.03 7.04 3fewX1 ASN 187 HD22 0.09 0.04 -0.04 -0.04 7.74 7.79 3fewX1 LYS 188 H 0.06 0.43 -0.16 -0.55 8.42 8.19 3fewX1 LYS 188 HA 0.02 0.06 0.42 -0.75 4.32 4.07 3fewX1 LYS 188 HB2 0.02 0.06 0.16 -0.04 1.87 2.07 3fewX1 LYS 188 HB3 0.01 0.00 0.02 -0.04 1.79 1.78 3fewX1 LYS 188 HG2 0.03 0.00 0.09 -0.04 1.46 1.55 3fewX1 LYS 188 HG3 0.06 -0.06 0.17 -0.04 1.46 1.59 3fewX1 LYS 188 HD2 0.05 0.04 0.10 -0.04 1.69 1.84 3fewX1 LYS 188 HD3 0.03 -0.01 0.05 -0.04 1.68 1.70 3fewX1 LYS 188 HE2 0.04 0.00 0.04 -0.04 2.99 3.03 3fewX1 LYS 188 HE3 0.07 -0.04 0.07 -0.04 2.99 3.05 3fewX1 ASP 189 H -0.06 0.17 -0.25 -0.55 8.40 7.71 3fewX1 ASP 189 HA -0.04 0.20 0.84 -0.75 4.63 4.88 3fewX1 ASP 189 HB2 -0.07 0.04 0.08 -0.04 2.71 2.72 3fewX1 ASP 189 HB3 -0.06 -0.06 0.17 -0.04 2.70 2.71 3fewX1 GLU 190 H -0.06 0.53 -0.35 -0.55 8.60 8.17 3fewX1 GLU 190 HA -0.15 0.09 0.41 -0.75 4.29 3.89 3fewX1 GLU 190 HB2 -0.05 0.00 0.10 -0.04 2.09 2.10 3fewX1 GLU 190 HB3 -0.03 0.07 0.12 -0.04 1.99 2.11 3fewX1 GLU 190 HG2 0.02 0.02 -0.03 -0.04 2.34 2.31 3fewX1 GLU 190 HG3 -0.02 -0.00 -0.22 -0.04 2.34 2.06 3fewX1 SER 191 H -0.05 0.19 -0.01 -0.55 8.46 8.05 3fewX1 SER 191 HA -0.06 0.10 0.43 -0.75 4.49 4.21 3fewX1 SER 191 HB2 -0.04 -0.01 0.12 -0.04 3.95 3.98 3fewX1 SER 191 HB3 -0.04 0.06 -0.06 -0.04 3.93 3.85 3fewX1 GLN 192 H -0.06 0.11 -0.24 -0.55 8.47 7.73 3fewX1 GLN 192 HA -0.06 0.08 0.34 -0.75 4.36 3.96 3fewX1 ARG 193 H -0.11 0.35 -0.32 -0.55 8.46 7.83 3fewX1 ARG 193 HA -0.09 0.01 0.41 -0.75 4.34 3.92 3fewX1 ARG 193 HB2 -0.15 0.13 0.16 -0.04 1.90 2.00 3fewX1 ARG 193 HB3 -0.08 -0.03 -0.06 -0.04 1.80 1.59 3fewX1 ARG 193 HG2 -0.03 -0.08 -0.02 -0.04 1.67 1.50 3fewX1 ARG 193 HG3 -0.14 0.13 0.05 -0.04 1.67 1.67 3fewX1 ARG 193 HD2 -0.01 0.04 -0.00 -0.04 3.22 3.21 3fewX1 ARG 193 HD3 -0.23 -0.03 -0.02 -0.04 3.22 2.90 3fewX1 GLN 194 H -0.21 0.50 -0.14 -0.55 8.47 8.08 3fewX1 GLN 194 HA -0.54 -0.00 0.42 -0.75 4.36 3.49 3fewX1 GLN 194 HB2 -0.15 0.14 0.16 -0.04 2.15 2.26 3fewX1 GLN 194 HB3 -0.16 -0.01 -0.06 -0.04 2.02 1.75 3fewX1 GLN 194 HG2 -0.33 -0.05 -0.04 -0.04 2.40 1.94 3fewX1 GLN 194 HG3 -0.23 0.07 0.01 -0.04 2.39 2.20 3fewX1 GLN 194 HE21 0.01 0.00 -0.07 -0.04 6.97 6.86 3fewX1 GLN 194 HE22 0.03 -0.02 -0.08 -0.04 7.69 7.57 3fewX1 GLU 195 H -0.12 0.45 -0.22 -0.55 8.60 8.16 3fewX1 GLU 195 HA -0.08 0.05 0.43 -0.75 4.29 3.94 3fewX1 GLU 195 HB2 -0.06 0.03 0.07 -0.04 2.09 2.08 3fewX1 GLU 195 HB3 -0.06 0.09 0.14 -0.04 1.99 2.12 3fewX1 GLU 195 HG2 -0.04 -0.01 -0.02 -0.04 2.34 2.23 3fewX1 GLU 195 HG3 -0.04 0.00 -0.15 -0.04 2.34 2.11 3fewX1 LYS 196 H -0.08 0.48 -0.08 -0.55 8.42 8.18 3fewX1 LYS 196 HA -0.04 0.04 0.51 -0.75 4.32 4.08 3fewX1 LYS 196 HB2 -0.06 0.11 0.18 -0.04 1.87 2.06 3fewX1 LYS 196 HB3 -0.02 -0.03 -0.02 -0.04 1.79 1.67 3fewX1 LYS 196 HG2 -0.02 -0.02 0.03 -0.04 1.46 1.41 3fewX1 LYS 196 HG3 -0.03 -0.01 0.04 -0.04 1.46 1.42 3fewX1 LYS 196 HD2 -0.04 0.19 -0.03 -0.04 1.69 1.77 3fewX1 LYS 196 HD3 -0.03 -0.06 -0.04 -0.04 1.68 1.51 3fewX1 LYS 196 HE2 -0.02 0.02 -0.01 -0.04 2.99 2.94 3fewX1 LYS 196 HE3 -0.02 -0.04 -0.04 -0.04 2.99 2.85 3fewX1 ALA 197 H -0.16 0.53 -0.20 -0.55 8.40 8.02 3fewX1 ALA 197 HA -0.03 -0.01 0.28 -0.75 4.34 3.82 3fewX1 ALA 197 HB3 -0.24 0.02 0.04 -0.04 1.41 1.19 3fewX1 LYS 198 H -0.10 0.58 -0.14 -0.55 8.42 8.20 3fewX1 LYS 198 HA -0.04 0.02 0.42 -0.75 4.32 3.96 3fewX1 LYS 198 HB2 -0.06 0.12 0.15 -0.04 1.87 2.04 3fewX1 LYS 198 HB3 -0.05 -0.05 0.03 -0.04 1.79 1.69 3fewX1 LYS 198 HG2 -0.06 -0.03 0.01 -0.04 1.46 1.35 3fewX1 LYS 198 HG3 -0.10 0.11 0.08 -0.04 1.46 1.51 3fewX1 LYS 198 HD2 -0.07 -0.00 -0.08 -0.04 1.69 1.50 3fewX1 LYS 198 HD3 -0.05 0.02 -0.06 -0.04 1.68 1.54 3fewX1 LYS 198 HE2 -0.05 -0.02 -0.21 -0.04 2.99 2.67 3fewX1 LYS 198 HE3 -0.08 -0.05 -0.14 -0.04 2.99 2.67 3fewX1 GLN 199 H -0.04 0.46 -0.17 -0.55 8.47 8.18 3fewX1 GLN 199 HA -0.01 0.03 0.47 -0.75 4.36 4.10 3fewX1 GLN 199 HB2 -0.02 0.05 0.15 -0.04 2.15 2.29 3fewX1 GLN 199 HB3 -0.02 0.08 0.16 -0.04 2.02 2.20 3fewX1 GLN 199 HG2 -0.01 -0.03 0.01 -0.04 2.40 2.33 3fewX1 GLN 199 HG3 -0.00 -0.01 -0.08 -0.04 2.39 2.26 3fewX1 GLN 199 HE21 0.00 0.03 0.02 -0.04 6.97 6.98 3fewX1 GLN 199 HE22 0.00 -0.00 0.01 -0.04 7.69 7.66 3fewX1 GLN 200 H -0.01 0.52 -0.20 -0.55 8.47 8.23 3fewX1 GLN 200 HA 0.02 0.03 0.44 -0.75 4.36 4.09 3fewX1 GLN 200 HB2 0.01 0.13 0.11 -0.04 2.15 2.35 3fewX1 GLN 200 HB3 0.03 0.03 0.04 -0.04 2.02 2.07 3fewX1 GLN 200 HG2 0.02 0.00 0.05 -0.04 2.40 2.44 3fewX1 GLN 200 HG3 0.02 -0.02 0.04 -0.04 2.39 2.39 3fewX1 GLN 200 HE21 0.04 -0.08 0.08 -0.04 6.97 6.97 3fewX1 GLN 200 HE22 0.03 0.06 0.01 -0.04 7.69 7.75 3fewX1 ALA 201 H 0.01 0.54 -0.08 -0.55 8.40 8.32 3fewX1 ALA 201 HA 0.06 0.02 0.45 -0.75 4.34 4.12 3fewX1 ALA 201 HB3 0.03 0.02 0.05 -0.04 1.41 1.47 3fewX1 GLU 202 H 0.02 0.43 -0.26 -0.55 8.60 8.24 3fewX1 GLU 202 HA 0.05 0.14 0.50 -0.75 4.29 4.23 3fewX1 GLU 202 HB2 0.01 0.08 0.23 -0.04 2.09 2.36 3fewX1 GLU 202 HB3 0.02 -0.03 0.07 -0.04 1.99 2.02 3fewX1 GLU 202 HG2 -0.08 0.28 0.25 -0.04 2.34 2.75 3fewX1 GLU 202 HG3 -0.04 -0.01 0.09 -0.04 2.34 2.33 3fewX1 ASP 203 H 0.05 0.38 -0.18 -0.55 8.40 8.09 3fewX1 ASP 203 HA 0.06 0.05 0.54 -0.75 4.63 4.52 3fewX1 ASP 203 HB2 0.03 0.09 0.16 -0.04 2.71 2.95 3fewX1 ASP 203 HB3 0.02 -0.04 0.04 -0.04 2.70 2.68 3fewX1 ALA 204 H 0.07 0.43 -0.16 -0.55 8.40 8.20 3fewX1 ALA 204 HA 0.04 0.01 0.44 -0.75 4.34 4.07 3fewX1 ALA 204 HB3 0.08 0.03 0.10 -0.04 1.41 1.58 3fewX1 TRP 205 H 0.26 0.47 -0.18 -0.55 7.97 7.98 3fewX1 TRP 205 HA -0.01 0.02 0.39 -0.75 4.62 4.27 3fewX1 TRP 205 HB2 -0.01 -0.01 0.13 -0.04 3.23 3.30 3fewX1 TRP 205 HB3 -0.01 0.22 0.20 -0.04 3.23 3.60 3fewX1 TRP 205 HD1 -0.03 0.03 -0.19 -0.04 7.22 7.00 3fewX1 TRP 205 HE1 -0.03 -0.02 -0.18 -0.04 10.20 9.93 3fewX1 TRP 205 HE3 0.01 0.07 0.01 -0.04 7.59 7.63 3fewX1 TRP 205 HZ2 -0.01 0.01 -0.04 -0.04 7.44 7.36 3fewX1 TRP 205 HZ3 0.01 0.12 -0.19 -0.04 7.13 7.03 3fewX1 TRP 205 HH2 0.00 0.01 -0.01 -0.04 7.19 7.15 3fewX1 ASP 206 H 0.17 0.35 -0.22 -0.55 8.40 8.16 3fewX1 ASP 206 HA -0.05 0.08 0.51 -0.75 4.63 4.41 3fewX1 ASP 206 HB2 0.04 0.03 0.11 -0.04 2.71 2.85 3fewX1 ASP 206 HB3 0.02 -0.03 0.12 -0.04 2.70 2.76 3fewX1 ARG 207 H -0.05 0.39 -0.38 -0.55 8.46 7.87 3fewX1 ARG 207 HA -0.13 0.00 0.61 -0.75 4.34 4.07 3fewX1 ARG 207 HB2 -0.04 0.09 0.11 -0.04 1.90 2.02 3fewX1 ARG 207 HB3 -0.07 0.00 0.11 -0.04 1.80 1.79 3fewX1 ARG 207 HG2 -0.05 0.00 -0.02 -0.04 1.67 1.56 3fewX1 ARG 207 HG3 -0.02 0.26 -0.00 -0.04 1.67 1.86 3fewX1 ARG 207 HD2 -0.03 -0.01 -0.00 -0.04 3.22 3.14 3fewX1 ARG 207 HD3 -0.02 0.00 -0.04 -0.04 3.22 3.12 3fewX1 LEU 208 H -0.27 0.37 -0.41 -0.55 8.37 7.52 3fewX1 LEU 208 HA -0.27 0.05 0.51 -0.75 4.35 3.88 3fewX1 LEU 208 HB2 -0.60 0.12 0.15 -0.04 1.64 1.27 3fewX1 LEU 208 HB3 -0.38 -0.03 0.07 -0.04 1.64 1.26 3fewX1 LEU 208 HG -0.19 0.13 0.07 -0.04 1.64 1.61 3fewX1 LEU 208 HD13 -0.48 -0.00 0.06 -0.04 0.93 0.47 3fewX1 LEU 208 HD23 0.03 -0.02 0.01 -0.04 0.89 0.86 3fewX1 PRO 209 HA -0.51 0.03 0.27 -0.51 4.44 3.72 3fewX1 PRO 209 HB2 -1.54 0.06 0.13 -0.04 2.28 0.89 3fewX1 PRO 209 HB3 -0.71 -0.02 0.08 -0.04 2.02 1.33 3fewX1 PRO 209 HG2 -2.87 0.06 0.10 -0.04 2.03 -0.72 3fewX1 PRO 209 HG3 -0.79 -0.00 0.03 -0.04 2.03 1.23 3fewX1 PRO 209 HD2 -0.96 0.11 0.20 -0.04 3.68 3.00 3fewX1 PRO 209 HD3 -0.50 0.12 0.24 -0.04 3.65 3.47 3fewX1 PRO 210 HA -1.76 0.09 0.39 -0.51 4.44 2.65 3fewX1 PRO 210 HB2 -0.44 -0.06 0.03 -0.04 2.28 1.77 3fewX1 PRO 210 HB3 -0.81 -0.08 0.13 -0.04 2.02 1.22 3fewX1 PRO 210 HG2 -0.52 0.05 -0.02 -0.04 2.03 1.50 3fewX1 PRO 210 HG3 -0.29 0.24 0.08 -0.04 2.03 2.02 3fewX1 PRO 210 HD2 -0.64 0.02 -0.24 -0.04 3.68 2.78 3fewX1 PRO 210 HD3 -0.84 0.10 0.12 -0.04 3.65 2.99 3fewX1 ASN 211 H -0.52 0.44 -0.42 -0.55 8.53 7.48 3fewX1 ASN 211 HA -0.18 0.01 0.61 -0.75 4.76 4.45 3fewX1 ASN 211 HB2 -0.41 0.18 0.06 -0.04 2.88 2.67 3fewX1 ASN 211 HB3 -0.20 -0.09 0.19 -0.04 2.79 2.65 3fewX1 ASN 211 HD21 -1.66 -0.12 -0.04 -0.04 7.03 5.17 3fewX1 ASN 211 HD22 -1.23 0.62 0.12 -0.04 7.74 7.22 3fewX1 VAL 212 H -0.29 0.51 -0.22 -0.55 8.24 7.68 3fewX1 VAL 212 HA -0.19 0.09 0.65 -0.75 4.13 3.93 3fewX1 VAL 212 HB -0.28 0.10 0.10 -0.04 2.12 2.01 3fewX1 VAL 212 HG13 -0.55 -0.07 0.02 -0.04 0.97 0.33 3fewX1 VAL 212 HG23 -0.27 0.02 -0.27 -0.04 0.95 0.39 3fewX1 ARG 213 H -0.20 0.05 0.29 -0.55 8.46 8.04 3fewX1 ARG 213 HA 0.11 0.21 0.78 -0.75 4.34 4.68 3fewX1 ARG 213 HB2 -0.04 -0.06 0.10 -0.04 1.90 1.86 3fewX1 ARG 213 HB3 0.01 0.21 0.25 -0.04 1.80 2.23 3fewX1 ARG 213 HG2 -0.01 0.22 -0.26 -0.04 1.67 1.59 3fewX1 ARG 213 HG3 0.01 -0.10 -0.03 -0.04 1.67 1.51 3fewX1 ARG 213 HD2 0.03 -0.04 -0.38 -0.04 3.22 2.79 3fewX1 ARG 213 HD3 0.19 0.18 -0.23 -0.04 3.22 3.31 3fewX1 LYS 214 H -0.40 0.11 0.20 -0.55 8.42 7.79 3fewX1 LYS 214 HA -0.07 0.00 0.98 -0.75 4.32 4.47 3fewX1 LYS 214 HB2 -0.15 0.00 0.14 -0.04 1.87 1.83 3fewX1 LYS 214 HB3 -0.14 0.00 0.02 -0.04 1.79 1.63 3fewX1 LYS 214 HG2 -0.04 -0.04 -0.07 -0.04 1.46 1.27 3fewX1 LYS 214 HG3 -0.02 0.02 -0.02 -0.04 1.46 1.40 3fewX1 LYS 214 HD2 -0.03 0.01 -0.08 -0.04 1.69 1.55 3fewX1 LYS 214 HD3 -0.06 0.00 -0.02 -0.04 1.68 1.56 3fewX1 LYS 214 HE2 -0.02 0.00 -0.04 -0.04 2.99 2.89 3fewX1 LYS 214 HE3 -0.00 -0.03 -0.06 -0.04 2.99 2.85 3fewX1 PHE 215 H 0.15 0.80 0.36 -0.55 8.34 9.11 3fewX1 PHE 215 HA 0.03 0.22 1.19 -0.75 4.62 5.32 3fewX1 PHE 215 HB2 0.05 -0.02 0.16 -0.04 3.15 3.30 3fewX1 PHE 215 HB3 0.05 0.01 -0.02 -0.04 3.06 3.06 3fewX1 PHE 215 HD2 0.04 0.05 -0.15 -0.04 7.28 7.19 3fewX1 PHE 215 HE2 0.09 0.03 -0.13 -0.04 7.38 7.32 3fewX1 PHE 215 HZ 0.20 0.20 -0.10 -0.04 7.32 7.59 3fewX1 ASP 216 H 0.12 0.53 0.25 -0.55 8.40 8.75 3fewX1 ASP 216 HA 0.14 0.18 0.90 -0.75 4.63 5.11 3fewX1 ASP 216 HB2 0.07 -0.02 -0.00 -0.04 2.71 2.72 3fewX1 ASP 216 HB3 0.09 -0.01 0.10 -0.04 2.70 2.83 3fewX1 VAL 217 H 0.16 0.62 0.36 -0.55 8.24 8.83 3fewX1 VAL 217 HA 0.06 0.31 1.06 -0.75 4.13 4.81 3fewX1 VAL 217 HB 0.15 -0.07 0.10 -0.04 2.12 2.26 3fewX1 VAL 217 HG13 0.05 -0.01 -0.25 -0.04 0.97 0.71 3fewX1 VAL 217 HG23 0.12 0.06 -0.18 -0.04 0.95 0.91 3fewX1 ASP 218 H -0.06 0.81 0.46 -0.55 8.40 9.06 3fewX1 ASP 218 HA -0.41 0.35 0.77 -0.75 4.63 4.59 3fewX1 ASP 218 HB2 -0.55 0.02 0.02 -0.04 2.71 2.16 3fewX1 ASP 218 HB3 -0.13 0.02 0.31 -0.04 2.70 2.86 3fewX1 VAL 219 H 0.08 0.71 0.26 -0.55 8.24 8.74 3fewX1 VAL 219 HA 0.04 0.13 0.93 -0.75 4.13 4.48 3fewX1 VAL 219 HB 0.23 0.00 0.10 -0.04 2.12 2.41 3fewX1 VAL 219 HG13 0.01 -0.01 -0.04 -0.04 0.97 0.89 3fewX1 VAL 219 HG23 0.05 0.05 -0.20 -0.04 0.95 0.81 3fewX1 GLU 220 H 0.04 0.26 0.15 -0.55 8.60 8.51 3fewX1 GLU 220 HA 0.04 0.05 0.35 -0.75 4.29 3.97 3fewX1 GLU 220 HB2 0.21 0.09 -0.12 -0.04 2.09 2.22 3fewX1 GLU 220 HB3 0.13 0.03 0.23 -0.04 1.99 2.34 3fewX1 GLU 220 HG2 0.04 0.02 0.08 -0.04 2.34 2.44 3fewX1 GLU 220 HG3 0.04 -0.04 0.03 -0.04 2.34 2.33 3fewX1 GLN 221 H -0.01 0.04 -0.52 -0.55 8.47 7.44 3fewX1 GLN 221 HA -0.07 -0.01 0.16 -0.75 4.36 3.69 3fewX1 GLN 221 HB2 -0.19 0.24 0.07 -0.04 2.15 2.23 3fewX1 GLN 221 HB3 -0.14 -0.01 0.15 -0.04 2.02 1.98 3fewX1 GLN 221 HG2 -0.04 0.00 -0.05 -0.04 2.40 2.27 3fewX1 GLN 221 HG3 -0.05 -0.09 -0.31 -0.04 2.39 1.90 3fewX1 GLN 221 HE21 -0.05 -0.01 0.00 -0.04 6.97 6.87 3fewX1 GLN 221 HE22 -0.04 0.01 0.01 -0.04 7.69 7.62 3fewX1 PHE 222 H 0.27 0.52 -0.43 -0.55 8.34 8.16 3fewX1 PHE 222 HA -0.14 0.09 0.55 -0.75 4.62 4.37 3fewX1 PHE 222 HB2 0.06 0.04 0.10 -0.04 3.15 3.30 3fewX1 PHE 222 HB3 -0.32 0.05 0.12 -0.04 3.06 2.87 3fewX1 PHE 222 HD2 -0.11 0.13 0.10 -0.04 7.28 7.36 3fewX1 PHE 222 HE2 -0.19 -0.01 0.07 -0.04 7.38 7.21 3fewX1 PHE 222 HZ -0.55 -0.01 0.06 -0.04 7.32 6.77 3fewX1 HIS 223 H -0.09 0.47 0.24 -0.55 8.41 8.49 3fewX1 HIS 223 HA -0.05 0.41 1.07 -0.75 4.63 5.31 3fewX1 HIS 223 HB2 -0.11 -0.08 -0.01 -0.04 3.26 3.02 3fewX1 HIS 223 HB3 -0.06 -0.01 -0.13 -0.04 3.20 2.96 3fewX1 HIS 223 HD2 -0.09 0.13 -0.42 -0.04 6.97 6.54 3fewX1 HIS 223 HE1 -0.01 0.01 -0.12 -0.04 7.75 7.59 3fewX1 TYR 224 H 0.14 0.45 0.32 -0.55 8.29 8.65 3fewX1 TYR 224 HA 0.08 0.23 1.00 -0.75 4.56 5.11 3fewX1 TYR 224 HB2 0.04 0.00 0.05 -0.04 3.06 3.11 3fewX1 TYR 224 HB3 0.04 0.00 -0.13 -0.04 2.98 2.86 3fewX1 TYR 224 HD2 0.02 0.04 -0.22 -0.04 7.15 6.96 3fewX1 TYR 224 HE2 -0.01 -0.00 -0.09 -0.04 6.85 6.70 3fewX1 LEU 225 H 0.13 0.67 0.32 -0.55 8.37 8.95 3fewX1 LEU 225 HA 0.12 0.29 0.95 -0.75 4.35 4.96 3fewX1 LEU 225 HB2 0.07 -0.04 0.07 -0.04 1.64 1.70 3fewX1 LEU 225 HB3 0.08 -0.03 0.19 -0.04 1.64 1.83 3fewX1 LEU 225 HG 0.06 0.00 -0.27 -0.04 1.64 1.39 3fewX1 LEU 225 HD13 0.04 0.03 -0.15 -0.04 0.93 0.81 3fewX1 LEU 225 HD23 0.03 -0.00 -0.07 -0.04 0.89 0.80 3fewX1 VAL 226 H 0.17 0.80 0.37 -0.55 8.24 9.03 3fewX1 VAL 226 HA 0.10 0.26 1.16 -0.75 4.13 4.90 3fewX1 VAL 226 HB 0.18 -0.02 0.17 -0.04 2.12 2.41 3fewX1 VAL 226 HG13 0.09 0.02 -0.09 -0.04 0.97 0.95 3fewX1 VAL 226 HG23 0.08 0.00 -0.25 -0.04 0.95 0.74 3fewX1 VAL 227 H 0.08 0.56 0.33 -0.55 8.24 8.66 3fewX1 VAL 227 HA 0.09 0.38 1.22 -0.75 4.13 5.07 3fewX1 VAL 227 HB 0.04 -0.12 0.10 -0.04 2.12 2.10 3fewX1 VAL 227 HG13 0.02 0.02 -0.03 -0.04 0.97 0.94 3fewX1 VAL 227 HG23 0.04 -0.01 -0.14 -0.04 0.95 0.80 3fewX1 LEU 228 H 0.08 0.67 0.40 -0.55 8.37 8.98 3fewX1 LEU 228 HA 0.00 0.20 1.02 -0.75 4.35 4.81 3fewX1 LEU 228 HB2 0.13 0.05 0.12 -0.04 1.64 1.89 3fewX1 LEU 228 HB3 -0.22 0.11 0.01 -0.04 1.64 1.51 3fewX1 LEU 228 HG -0.18 0.02 -0.13 -0.04 1.64 1.31 3fewX1 LEU 228 HD13 0.04 -0.02 -0.23 -0.04 0.93 0.67 3fewX1 LEU 228 HD23 -0.05 -0.01 -0.19 -0.04 0.89 0.60 3fewX1 ASP 229 H -0.02 0.35 0.20 -0.55 8.40 8.38 3fewX1 ASP 229 HA 0.00 0.26 0.89 -0.75 4.63 5.03 3fewX1 ASP 229 HB2 0.06 -0.02 0.20 -0.04 2.71 2.92 3fewX1 ASP 229 HB3 0.06 0.09 0.09 -0.04 2.70 2.90 3fewX1 ASP 230 H -0.04 0.18 0.13 -0.55 8.40 8.12 3fewX1 ASP 230 HA 0.05 0.24 0.30 -0.75 4.63 4.47 3fewX1 ASP 230 HB2 -0.40 -0.06 0.06 -0.04 2.71 2.27 3fewX1 ASP 230 HB3 -0.25 0.05 0.14 -0.04 2.70 2.59 3fewX1 TYR 231 H 0.01 -0.07 -0.54 -0.55 8.29 7.14 3fewX1 TYR 231 HA 0.27 0.30 0.87 -0.75 4.56 5.25 3fewX1 TYR 231 HB2 0.00 -0.07 0.02 -0.04 3.06 2.97 3fewX1 TYR 231 HB3 0.07 -0.02 0.13 -0.04 2.98 3.12 3fewX1 TYR 231 HD2 0.04 0.01 -0.08 -0.04 7.15 7.08 3fewX1 TYR 231 HE2 0.04 0.07 -0.25 -0.04 6.85 6.67 3fewX1 GLY 232 H -0.30 0.47 -0.07 -0.55 8.43 7.98 3fewX1 GLY 232 HA2 -0.85 0.14 0.29 -0.51 4.01 3.08 3fewX1 GLY 232 HA3 0.05 0.11 0.48 -0.51 4.01 4.14 3fewX1 ASN 233 H 0.05 -0.11 -0.25 -0.55 8.53 7.67 3fewX1 ASN 233 HA 0.03 0.25 0.67 -0.75 4.76 4.96 3fewX1 ASN 233 HB2 0.12 -0.06 0.00 -0.04 2.88 2.90 3fewX1 ASN 233 HB3 0.10 0.09 0.01 -0.04 2.79 2.95 3fewX1 ASN 233 HD21 0.04 0.04 0.01 -0.04 7.03 7.08 3fewX1 ASN 233 HD22 0.15 -0.01 0.00 -0.04 7.74 7.85 3fewX1 VAL 234 H 0.01 0.40 0.09 -0.55 8.24 8.19 3fewX1 VAL 234 HA 0.01 0.17 0.87 -0.75 4.13 4.44 3fewX1 VAL 234 HB -0.01 0.04 0.22 -0.04 2.12 2.34 3fewX1 VAL 234 HG13 0.01 -0.01 -0.13 -0.04 0.97 0.80 3fewX1 VAL 234 HG23 -0.00 0.04 0.08 -0.04 0.95 1.02 3fewX1 LEU 235 H 0.03 0.59 0.34 -0.55 8.37 8.78 3fewX1 LEU 235 HA 0.01 0.09 0.74 -0.75 4.35 4.44 3fewX1 LEU 235 HB2 0.03 0.01 -0.06 -0.04 1.64 1.57 3fewX1 LEU 235 HB3 0.02 -0.04 -0.02 -0.04 1.64 1.57 3fewX1 LEU 235 HG 0.03 -0.02 -0.23 -0.04 1.64 1.39 3fewX1 LEU 235 HD13 0.03 0.00 -0.14 -0.04 0.93 0.78 3fewX1 LEU 235 HD23 0.05 -0.00 -0.18 -0.04 0.89 0.72 3fewX1 SER 236 H 0.03 0.40 0.26 -0.55 8.46 8.61 3fewX1 SER 236 HA 0.02 0.12 0.45 -0.75 4.49 4.32 3fewX1 SER 236 HB2 0.03 -0.00 0.05 -0.04 3.95 3.99 3fewX1 SER 236 HB3 0.02 0.13 -0.13 -0.04 3.93 3.92 3fewX1 VAL 237 H 0.03 0.30 0.20 -0.55 8.24 8.22 3fewX1 VAL 237 HA 0.08 0.35 0.80 -0.75 4.13 4.60 3fewX1 VAL 237 HB 0.02 0.07 0.03 -0.04 2.12 2.20 3fewX1 VAL 237 HG13 -0.00 -0.01 0.01 -0.04 0.97 0.93 3fewX1 VAL 237 HG23 0.03 -0.02 -0.14 -0.04 0.95 0.78 3fewX1 THR 238 H 0.14 0.51 0.22 -0.55 8.28 8.60 3fewX1 THR 238 HA 0.11 0.11 0.90 -0.75 4.39 4.76 3fewX1 THR 238 HB 0.07 -0.04 0.07 -0.04 4.32 4.38 3fewX1 THR 238 HG23 0.06 0.04 -0.06 -0.04 1.22 1.21 3fewX1 ARG 239 H 0.16 0.14 0.16 -0.55 8.46 8.36 3fewX1 ARG 239 HA -0.15 0.23 0.85 -0.75 4.34 4.51 3fewX1 ARG 239 HB2 0.20 -0.02 0.15 -0.04 1.90 2.19 3fewX1 ARG 239 HB3 0.08 -0.03 0.14 -0.04 1.80 1.95 3fewX1 ARG 239 HG2 -0.04 -0.07 -0.15 -0.04 1.67 1.36 3fewX1 ARG 239 HG3 -0.47 0.18 0.20 -0.04 1.67 1.53 3fewX1 ARG 239 HD2 0.16 0.02 0.05 -0.04 3.22 3.41 3fewX1 ARG 239 HD3 0.16 -0.02 0.03 -0.04 3.22 3.34 3fewX1 THR 240 H -0.11 0.55 0.32 -0.55 8.28 8.49 3fewX1 THR 240 HA 0.00 0.21 0.94 -0.75 4.39 4.79 3fewX1 THR 240 HB -0.02 -0.01 0.06 -0.04 4.32 4.31 3fewX1 THR 240 HG23 0.03 0.03 -0.14 -0.04 1.22 1.10 3fewX1 GLY 241 H -0.09 0.31 0.27 -0.55 8.43 8.38 3fewX1 GLY 241 HA2 -0.06 0.10 0.63 -0.51 4.01 4.17 3fewX1 GLY 241 HA3 -0.09 0.08 0.30 -0.51 4.01 3.79 3fewX1 VAL 242 H -0.17 0.14 0.15 -0.55 8.24 7.81 3fewX1 VAL 242 HA -0.22 0.14 0.94 -0.75 4.13 4.24 3fewX1 VAL 242 HB -0.32 0.00 0.16 -0.04 2.12 1.92 3fewX1 VAL 242 HG13 -0.14 -0.01 -0.07 -0.04 0.97 0.71 3fewX1 VAL 242 HG23 -0.76 0.02 -0.08 -0.04 0.95 0.09 3fewX1 ARG 243 H -1.58 0.04 0.08 -0.55 8.46 6.46 3fewX1 ARG 243 HA -0.45 0.26 0.56 -0.75 4.34 3.96 3fewX1 ARG 243 HB2 -0.46 0.04 0.07 -0.04 1.90 1.50 3fewX1 ARG 243 HB3 -1.02 0.07 -0.01 -0.04 1.80 0.80 3fewX1 ARG 243 HG2 -1.87 -0.11 0.07 -0.04 1.67 -0.28 3fewX1 ARG 243 HG3 -0.98 0.02 -0.14 -0.04 1.67 0.53 3fewX1 ARG 243 HD2 -0.31 0.05 -0.02 -0.04 3.22 2.89 3fewX1 ARG 243 HD3 -0.30 0.06 0.05 -0.04 3.22 2.98 3fewX1 PRO 244 HA -0.26 0.01 0.46 -0.51 4.44 4.13 3fewX1 PRO 244 HB2 -0.06 0.04 -0.04 -0.04 2.28 2.17 3fewX1 PRO 244 HB3 -0.07 0.00 0.11 -0.04 2.02 2.03 3fewX1 PRO 244 HG2 -0.08 0.01 0.07 -0.04 2.03 1.99 3fewX1 PRO 244 HG3 -0.11 0.05 0.09 -0.04 2.03 2.01 3fewX1 PRO 244 HD2 -0.18 0.07 0.17 -0.04 3.68 3.70 3fewX1 PRO 244 HD3 -0.19 0.23 0.24 -0.04 3.65 3.88 3fewX1 TYR 245 H -0.12 0.07 0.13 -0.55 8.29 7.81 3fewX1 TYR 245 HA 0.20 0.11 0.53 -0.75 4.56 4.64 3fewX1 TYR 245 HB2 0.06 -0.02 -0.02 -0.04 3.06 3.03 3fewX1 TYR 245 HB3 0.08 -0.10 -0.26 -0.04 2.98 2.65 3fewX1 TYR 245 HD2 0.12 -0.00 -0.02 -0.04 7.15 7.20 3fewX1 TYR 245 HE2 -0.05 0.00 -0.06 -0.04 6.85 6.70 3fewX1 VAL 246 H 0.21 0.19 0.14 -0.55 8.24 8.22 3fewX1 VAL 246 HA 0.07 0.19 0.85 -0.75 4.13 4.49 3fewX1 VAL 246 HB 0.08 -0.00 0.07 -0.04 2.12 2.23 3fewX1 VAL 246 HG13 0.04 -0.02 -0.11 -0.04 0.97 0.84 3fewX1 VAL 246 HG23 0.02 0.05 -0.17 -0.04 0.95 0.81 3fewX1 GLY 247 H 0.05 0.20 0.14 -0.55 8.43 8.28 3fewX1 GLY 247 HA2 0.03 0.10 0.37 -0.51 4.01 4.00 3fewX1 GLY 247 HA3 0.04 0.05 0.31 -0.51 4.01 3.90 3fewX1 SER 248 H 0.03 0.20 0.24 -0.55 8.46 8.38 3fewX1 SER 248 HA 0.01 0.03 0.39 -0.75 4.49 4.17 3fewX1 SER 248 HB2 0.00 0.02 0.16 -0.04 3.95 4.09 3fewX1 SER 248 HB3 0.01 0.04 0.14 -0.04 3.93 4.08 3fewX1 GLU 249 H 0.06 0.49 -0.22 -0.55 8.60 8.38 3fewX1 GLU 249 HA -0.01 0.08 0.56 -0.75 4.29 4.16 3fewX1 GLU 249 HB2 0.17 -0.10 0.07 -0.04 2.09 2.20 3fewX1 GLU 249 HB3 0.15 0.00 0.06 -0.04 1.99 2.15 3fewX1 GLU 249 HG2 0.13 0.04 0.10 -0.04 2.34 2.56 3fewX1 GLU 249 HG3 0.11 0.02 0.13 -0.04 2.34 2.55 3fewX1 LYS 250 H 0.02 0.54 -0.35 -0.55 8.42 8.07 3fewX1 LYS 250 HA -0.14 0.06 0.30 -0.75 4.32 3.79 3fewX1 LYS 250 HB2 0.01 0.04 0.06 -0.04 1.87 1.93 3fewX1 LYS 250 HB3 0.02 0.01 -0.04 -0.04 1.79 1.74 3fewX1 LYS 250 HG2 0.14 0.01 -0.07 -0.04 1.46 1.50 3fewX1 LYS 250 HG3 0.12 -0.10 -0.31 -0.04 1.46 1.13 3fewX1 LYS 250 HD2 0.05 0.05 -0.02 -0.04 1.69 1.73 3fewX1 LYS 250 HD3 0.04 -0.01 -0.02 -0.04 1.68 1.65 3fewX1 LYS 250 HE2 0.07 0.01 -0.01 -0.04 2.99 3.02 3fewX1 LYS 250 HE3 0.08 0.14 -0.02 -0.04 2.99 3.14 3fewX1 ALA 251 H -0.03 0.17 -0.12 -0.55 8.40 7.88 3fewX1 ALA 251 HA -0.05 0.07 0.45 -0.75 4.34 4.05 3fewX1 ALA 251 HB3 -0.03 0.04 0.08 -0.04 1.41 1.46 3fewX1 LYS 252 H -0.08 0.41 -0.23 -0.55 8.42 7.97 3fewX1 LYS 252 HA -0.07 0.03 0.32 -0.75 4.32 3.84 3fewX1 LYS 252 HB2 -0.09 0.05 0.19 -0.04 1.87 1.99 3fewX1 LYS 252 HB3 -0.08 0.00 -0.03 -0.04 1.79 1.65 3fewX1 LYS 252 HG2 -0.04 -0.02 0.04 -0.04 1.46 1.41 3fewX1 LYS 252 HG3 -0.03 0.03 0.07 -0.04 1.46 1.49 3fewX1 LYS 252 HD2 -0.01 -0.04 -0.10 -0.04 1.69 1.50 3fewX1 LYS 252 HD3 -0.02 0.03 -0.01 -0.04 1.68 1.65 3fewX1 LYS 252 HE2 -0.01 0.01 -0.00 -0.04 2.99 2.95 3fewX1 LYS 252 HE3 -0.00 -0.03 -0.02 -0.04 2.99 2.89 3fewX1 ALA 253 H -0.26 0.65 -0.17 -0.55 8.40 8.08 3fewX1 ALA 253 HA -0.24 0.00 0.45 -0.75 4.34 3.80 3fewX1 ALA 253 HB3 -0.75 0.02 0.08 -0.04 1.41 0.72 3fewX1 GLY 254 H -0.14 0.51 -0.15 -0.55 8.43 8.10 3fewX1 GLY 254 HA2 -0.07 0.02 0.41 -0.51 4.01 3.86 3fewX1 GLY 254 HA3 -0.06 0.05 0.33 -0.51 4.01 3.81 3fewX1 ILE 255 H -0.09 0.59 -0.14 -0.55 8.25 8.07 3fewX1 ILE 255 HA -0.07 -0.01 0.50 -0.75 4.18 3.85 3fewX1 ILE 255 HB -0.07 0.15 0.18 -0.04 1.89 2.11 3fewX1 ILE 255 HG12 -0.05 -0.03 0.03 -0.04 1.49 1.40 3fewX1 ILE 255 HG13 -0.05 0.00 0.05 -0.04 1.21 1.17 3fewX1 ILE 255 HG23 -0.06 -0.01 -0.07 -0.04 0.93 0.76 3fewX1 ILE 255 HD13 -0.04 -0.01 -0.04 -0.04 0.88 0.75 3fewX1 MET 256 H -0.10 0.61 -0.03 -0.55 8.47 8.40 3fewX1 MET 256 HA -0.09 0.00 0.26 -0.75 4.52 3.95 3fewX1 MET 256 HB2 -0.11 0.07 0.13 -0.04 2.15 2.19 3fewX1 MET 256 HB3 -0.08 -0.07 -0.04 -0.04 2.03 1.79 3fewX1 MET 256 HG2 -0.06 -0.03 0.01 -0.04 2.63 2.50 3fewX1 MET 256 HG3 -0.08 0.15 0.07 -0.04 2.56 2.66 3fewX1 MET 256 HE3 -0.06 -0.00 -0.06 -0.04 2.10 1.93 3fewX1 ASP 257 H -0.09 0.49 -0.33 -0.55 8.40 7.92 3fewX1 ASP 257 HA -0.06 0.14 0.58 -0.75 4.63 4.53 3fewX1 ASP 257 HB2 -0.05 -0.03 0.08 -0.04 2.71 2.67 3fewX1 ASP 257 HB3 -0.06 0.09 0.22 -0.04 2.70 2.91 3fewX1 LYS 258 H -0.09 0.59 0.09 -0.55 8.42 8.46 3fewX1 LYS 258 HA -0.09 0.09 0.25 -0.75 4.32 3.82 3fewX1 LYS 258 HB2 -0.06 0.04 0.11 -0.04 1.87 1.92 3fewX1 LYS 258 HB3 -0.04 -0.03 0.03 -0.04 1.79 1.70 3fewX1 LYS 258 HG2 -0.03 -0.03 0.06 -0.04 1.46 1.42 3fewX1 LYS 258 HG3 -0.02 -0.04 0.04 -0.04 1.46 1.39 3fewX1 LYS 258 HD2 -0.00 -0.02 0.01 -0.04 1.69 1.64 3fewX1 LYS 258 HD3 0.00 0.04 -0.02 -0.04 1.68 1.66 3fewX1 LYS 258 HE2 0.00 -0.01 -0.04 -0.04 2.99 2.90 3fewX1 LYS 258 HE3 0.00 -0.02 -0.00 -0.04 2.99 2.92 3fewX1 VAL 259 H -0.14 0.51 0.15 -0.55 8.24 8.21 3fewX1 VAL 259 HA -0.17 0.14 0.90 -0.75 4.13 4.24 3fewX1 VAL 259 HB -0.10 0.07 0.08 -0.04 2.12 2.13 3fewX1 VAL 259 HG13 -0.06 -0.01 -0.02 -0.04 0.97 0.84 3fewX1 VAL 259 HG23 -0.07 -0.02 0.04 -0.04 0.95 0.86 3fewX1 ASP 260 H -0.21 0.24 -0.12 -0.55 8.40 7.77 3fewX1 ASP 260 HA -0.11 0.19 0.75 -0.75 4.63 4.69 3fewX1 ASP 260 HB2 -0.09 0.08 0.16 -0.04 2.71 2.82 3fewX1 ASP 260 HB3 -0.05 -0.05 0.07 -0.04 2.70 2.63 3fewX1 HIS 261 H -0.30 0.24 -0.12 -0.55 8.41 7.68 3fewX1 HIS 261 HA -0.03 0.23 0.39 -0.75 4.63 4.46 3fewX1 HIS 261 HB2 -0.02 0.10 0.12 -0.04 3.26 3.42 3fewX1 HIS 261 HB3 -0.02 -0.10 0.16 -0.04 3.20 3.20 3fewX1 HIS 261 HD2 -0.01 0.01 -0.22 -0.04 6.97 6.71 3fewX1 HIS 261 HE1 -0.01 -0.04 -0.00 -0.04 7.75 7.65 3fewX1 LYS 262 H -0.05 0.51 0.03 -0.55 8.42 8.36 3fewX1 LYS 262 HA -0.01 0.04 0.51 -0.75 4.32 4.09 3fewX1 LYS 262 HB2 -0.07 -0.04 -0.19 -0.04 1.87 1.53 3fewX1 LYS 262 HB3 -0.07 -0.09 -0.09 -0.04 1.79 1.50 3fewX1 LYS 262 HG2 -0.06 0.08 -0.03 -0.04 1.46 1.42 3fewX1 LYS 262 HG3 -0.05 -0.05 -0.10 -0.04 1.46 1.22 3fewX1 LYS 262 HD2 -0.02 -0.08 -0.04 -0.04 1.69 1.51 3fewX1 LYS 262 HD3 -0.01 0.17 -0.25 -0.04 1.68 1.55 3fewX1 LYS 262 HE2 -0.03 -0.01 -0.04 -0.04 2.99 2.87 3fewX1 LYS 262 HE3 -0.02 -0.05 -0.04 -0.04 2.99 2.84 3fewX1 THR 263 H -0.04 0.05 0.18 -0.55 8.28 7.92 3fewX1 THR 263 HA -0.05 0.23 0.56 -0.75 4.39 4.38 3fewX1 THR 263 HB -0.06 0.01 0.16 -0.04 4.32 4.39 3fewX1 THR 263 HG23 -0.02 0.06 0.08 -0.04 1.22 1.29 3fewX1 PRO 264 HA -0.32 0.11 0.51 -0.51 4.44 4.23 3fewX1 PRO 264 HB2 -0.27 0.01 0.04 -0.04 2.28 2.02 3fewX1 PRO 264 HB3 -0.19 0.06 0.08 -0.04 2.02 1.93 3fewX1 PRO 264 HG2 -0.03 0.07 0.09 -0.04 2.03 2.12 3fewX1 PRO 264 HG3 -0.04 0.10 0.09 -0.04 2.03 2.14 3fewX1 PRO 264 HD2 -0.07 0.07 0.23 -0.04 3.68 3.87 3fewX1 PRO 264 HD3 -0.05 0.24 0.22 -0.04 3.65 4.01 3fewX1 GLU 265 H -0.22 0.18 -0.14 -0.55 8.60 7.87 3fewX1 GLU 265 HA -0.26 0.08 0.35 -0.75 4.29 3.71 3fewX1 GLU 265 HB2 -0.06 -0.01 0.05 -0.04 2.09 2.03 3fewX1 GLU 265 HB3 0.00 0.04 -0.01 -0.04 1.99 1.99 3fewX1 GLU 265 HG2 0.05 0.06 0.01 -0.04 2.34 2.42 3fewX1 GLU 265 HG3 0.03 -0.01 0.00 -0.04 2.34 2.32 3fewX1 GLU 266 H -0.13 0.10 -0.29 -0.55 8.60 7.73 3fewX1 GLU 266 HA -0.04 0.08 0.44 -0.75 4.29 4.02 3fewX1 GLU 266 HB2 -0.07 0.05 0.08 -0.04 2.09 2.11 3fewX1 GLU 266 HB3 -0.04 0.05 0.04 -0.04 1.99 2.00 3fewX1 GLU 266 HG2 -0.02 0.05 0.03 -0.04 2.34 2.35 3fewX1 GLU 266 HG3 -0.04 -0.09 0.05 -0.04 2.34 2.21 3fewX1 ILE 267 H -0.22 0.41 -0.33 -0.55 8.25 7.57 3fewX1 ILE 267 HA -0.10 0.05 0.48 -0.75 4.18 3.86 3fewX1 ILE 267 HB -0.21 0.09 0.14 -0.04 1.89 1.86 3fewX1 ILE 267 HG12 -0.11 -0.06 -0.07 -0.04 1.49 1.21 3fewX1 ILE 267 HG13 -0.12 0.08 -0.16 -0.04 1.21 0.97 3fewX1 ILE 267 HG23 -0.10 -0.02 -0.13 -0.04 0.93 0.65 3fewX1 ILE 267 HD13 -0.09 -0.00 -0.16 -0.04 0.88 0.59 3fewX1 TYR 268 H -0.37 0.62 -0.04 -0.55 8.29 7.95 3fewX1 TYR 268 HA -0.70 0.03 0.38 -0.75 4.56 3.51 3fewX1 TYR 268 HB2 0.04 0.09 0.09 -0.04 3.06 3.24 3fewX1 TYR 268 HB3 0.15 -0.07 0.02 -0.04 2.98 3.04 3fewX1 TYR 268 HD2 -0.10 -0.04 -0.06 -0.04 7.15 6.90 3fewX1 TYR 268 HE2 0.04 -0.00 -0.08 -0.04 6.85 6.77 3fewX1 GLU 269 H 0.05 0.51 -0.22 -0.55 8.60 8.40 3fewX1 GLU 269 HA 0.12 -0.10 0.39 -0.75 4.29 3.94 3fewX1 GLU 269 HB2 0.06 0.00 0.10 -0.04 2.09 2.22 3fewX1 GLU 269 HB3 0.02 0.13 0.17 -0.04 1.99 2.27 3fewX1 GLU 269 HG2 0.03 0.01 -0.02 -0.04 2.34 2.32 3fewX1 GLU 269 HG3 0.03 0.03 -0.23 -0.04 2.34 2.13 3fewX1 ALA 270 H -0.01 0.48 -0.21 -0.55 8.40 8.12 3fewX1 ALA 270 HA 0.02 0.04 0.30 -0.75 4.34 3.95 3fewX1 ALA 270 HB3 -0.02 0.01 0.11 -0.04 1.41 1.47 3fewX1 LEU 271 H -0.02 0.37 -0.31 -0.55 8.37 7.86 3fewX1 LEU 271 HA 0.06 0.13 0.74 -0.75 4.35 4.53 3fewX1 LEU 271 HB2 -0.25 0.03 0.09 -0.04 1.64 1.46 3fewX1 LEU 271 HB3 0.15 -0.07 0.14 -0.04 1.64 1.82 3fewX1 LEU 271 HG -0.09 0.15 -0.01 -0.04 1.64 1.65 3fewX1 LEU 271 HD13 -0.11 -0.03 -0.03 -0.04 0.93 0.72 3fewX1 LEU 271 HD23 -0.02 -0.01 -0.04 -0.04 0.89 0.78 3fewX1 GLY 272 H 0.13 0.43 -0.24 -0.55 8.43 8.21 3fewX1 GLY 272 HA2 0.13 0.04 0.32 -0.51 4.01 4.00 3fewX1 GLY 272 HA3 0.17 0.15 0.56 -0.51 4.01 4.39 3fewX1 PHE 273 H 0.44 0.53 0.03 -0.55 8.34 8.78 3fewX1 PHE 273 HA 0.23 0.07 0.19 -0.75 4.62 4.35 3fewX1 PHE 273 HB2 0.24 0.05 0.03 -0.04 3.15 3.43 3fewX1 PHE 273 HB3 0.28 -0.04 0.02 -0.04 3.06 3.28 3fewX1 PHE 273 HD2 -0.06 -0.04 -0.09 -0.04 7.28 7.05 3fewX1 PHE 273 HE2 -0.17 0.07 -0.03 -0.04 7.38 7.21 3fewX1 PHE 273 HZ 0.02 -0.01 -0.16 -0.04 7.32 7.13 3fewX1 ASN 274 H 0.21 0.12 -0.52 -0.55 8.53 7.79 3fewX1 ASN 274 HA 0.08 0.15 0.72 -0.75 4.76 4.95 3fewX1 ASN 274 HB2 0.10 0.05 0.01 -0.04 2.88 3.01 3fewX1 ASN 274 HB3 0.08 0.01 0.09 -0.04 2.79 2.93 3fewX1 ASN 274 HD21 0.16 0.02 -0.07 -0.04 7.03 7.10 3fewX1 ASN 274 HD22 0.11 0.03 -0.02 -0.04 7.74 7.81 3fewX1 ASN 275 H 0.09 0.56 -0.12 -0.55 8.53 8.51 3fewX1 ASN 275 HA 0.03 0.05 0.32 -0.75 4.76 4.40 3fewX1 ASN 275 HB2 0.05 0.14 0.18 -0.04 2.88 3.21 3fewX1 ASN 275 HB3 0.03 -0.02 0.06 -0.04 2.79 2.81 3fewX1 ASN 275 HD21 0.06 0.01 0.06 -0.04 7.03 7.12 3fewX1 ASN 275 HD22 0.06 0.01 0.08 -0.04 7.74 7.84 3fewX1 GLU 276 H -0.04 0.20 -0.31 -0.55 8.60 7.91 3fewX1 GLU 276 HA -0.04 0.20 0.88 -0.75 4.29 4.56 3fewX1 GLU 276 HB2 -0.09 0.07 0.03 -0.04 2.09 2.06 3fewX1 GLU 276 HB3 -0.08 -0.10 0.16 -0.04 1.99 1.94 3fewX1 GLU 276 HG2 -0.02 0.06 -0.11 -0.04 2.34 2.23 3fewX1 GLU 276 HG3 -0.01 -0.02 -0.19 -0.04 2.34 2.08 3fewX1 GLU 277 H -0.05 0.47 -0.34 -0.55 8.60 8.14 3fewX1 GLU 277 HA -0.14 0.03 0.52 -0.75 4.29 3.95 3fewX1 GLU 277 HB2 -0.01 0.02 0.18 -0.04 2.09 2.23 3fewX1 GLU 277 HB3 -0.00 0.14 0.14 -0.04 1.99 2.23 3fewX1 GLU 277 HG2 0.06 0.02 -0.00 -0.04 2.34 2.38 3fewX1 GLU 277 HG3 0.01 -0.03 -0.15 -0.04 2.34 2.13 3fewX1 PRO 278 HA -0.07 0.12 0.45 -0.51 4.44 4.43 3fewX1 PRO 278 HB2 -0.04 -0.00 0.02 -0.04 2.28 2.20 3fewX1 PRO 278 HB3 -0.04 0.08 0.06 -0.04 2.02 2.08 3fewX1 PRO 278 HG2 -0.02 0.10 0.06 -0.04 2.03 2.12 3fewX1 PRO 278 HG3 -0.02 0.06 0.05 -0.04 2.03 2.07 3fewX1 PRO 278 HD2 -0.04 0.09 -0.05 -0.04 3.68 3.64 3fewX1 PRO 278 HD3 -0.02 0.21 0.08 -0.04 3.65 3.88 3fewX1 GLN 279 H -0.07 0.18 -0.22 -0.55 8.47 7.81 3fewX1 GLN 279 HA -0.07 0.00 0.42 -0.75 4.36 3.96 3fewX1 GLN 279 HB2 -0.07 0.00 0.13 -0.04 2.15 2.17 3fewX1 GLN 279 HB3 -0.06 0.00 0.01 -0.04 2.02 1.93 3fewX1 GLN 279 HG2 -0.04 0.02 0.03 -0.04 2.40 2.37 3fewX1 GLN 279 HG3 -0.05 -0.00 0.02 -0.04 2.39 2.32 3fewX1 GLN 279 HE21 -0.02 0.08 0.05 -0.04 6.97 7.04 3fewX1 GLN 279 HE22 -0.03 -0.01 0.02 -0.04 7.69 7.64 3fewX1 ARG 280 H -0.15 0.61 -0.07 -0.55 8.46 8.30 3fewX1 ARG 280 HA -0.14 0.00 0.38 -0.75 4.34 3.82 3fewX1 ARG 280 HB2 -0.24 0.10 0.10 -0.04 1.90 1.81 3fewX1 ARG 280 HB3 -0.17 -0.02 -0.02 -0.04 1.80 1.55 3fewX1 ARG 280 HG2 -0.10 -0.08 -0.02 -0.04 1.67 1.43 3fewX1 ARG 280 HG3 -0.18 0.15 0.03 -0.04 1.67 1.63 3fewX1 ARG 280 HD2 -0.13 0.06 -0.07 -0.04 3.22 3.05 3fewX1 ARG 280 HD3 -0.29 -0.02 -0.06 -0.04 3.22 2.81 3fewX1 GLN 281 H -0.28 0.49 -0.27 -0.55 8.47 7.86 3fewX1 GLN 281 HA -0.63 -0.00 0.41 -0.75 4.36 3.38 3fewX1 GLN 281 HB2 -0.17 0.13 0.16 -0.04 2.15 2.23 3fewX1 GLN 281 HB3 -0.16 -0.01 -0.01 -0.04 2.02 1.80 3fewX1 GLN 281 HG2 -0.41 -0.08 -0.05 -0.04 2.40 1.81 3fewX1 GLN 281 HG3 -0.25 0.13 0.05 -0.04 2.39 2.27 3fewX1 GLN 281 HE21 0.07 0.00 -0.02 -0.04 6.97 6.98 3fewX1 GLN 281 HE22 0.16 -0.04 -0.03 -0.04 7.69 7.74 3fewX1 ASN 282 H -0.14 0.43 -0.18 -0.55 8.53 8.09 3fewX1 ASN 282 HA -0.08 0.06 0.45 -0.75 4.76 4.44 3fewX1 ASN 282 HB2 -0.08 0.06 0.19 -0.04 2.88 3.01 3fewX1 ASN 282 HB3 -0.06 -0.03 0.03 -0.04 2.79 2.69 3fewX1 ASN 282 HD21 -0.05 -0.02 -0.04 -0.04 7.03 6.87 3fewX1 ASN 282 HD22 -0.06 -0.08 -0.01 -0.04 7.74 7.55 3fewX1 GLN 283 H -0.11 0.51 -0.11 -0.55 8.47 8.21 3fewX1 GLN 283 HA -0.05 0.01 0.40 -0.75 4.36 3.97 3fewX1 GLN 283 HB2 -0.09 0.14 0.18 -0.04 2.15 2.34 3fewX1 GLN 283 HB3 -0.04 -0.05 -0.01 -0.04 2.02 1.87 3fewX1 GLN 283 HG2 -0.04 -0.01 0.02 -0.04 2.40 2.34 3fewX1 GLN 283 HG3 -0.06 0.11 0.02 -0.04 2.39 2.42 3fewX1 GLN 283 HE21 -0.01 -0.08 -0.03 -0.04 6.97 6.81 3fewX1 GLN 283 HE22 -0.01 0.04 -0.03 -0.04 7.69 7.64 3fewX1 ALA 284 H -0.17 0.57 -0.18 -0.55 8.40 8.08 3fewX1 ALA 284 HA -0.02 -0.02 0.30 -0.75 4.34 3.85 3fewX1 ALA 284 HB3 -0.08 0.02 0.01 -0.04 1.41 1.33 3fewX1 LYS 285 H -0.08 0.59 -0.15 -0.55 8.42 8.23 3fewX1 LYS 285 HA -0.00 0.01 0.45 -0.75 4.32 4.02 3fewX1 LYS 285 HB2 -0.06 0.12 0.22 -0.04 1.87 2.12 3fewX1 LYS 285 HB3 -0.04 -0.00 -0.01 -0.04 1.79 1.71 3fewX1 LYS 285 HG2 -0.02 0.01 0.02 -0.04 1.46 1.42 3fewX1 LYS 285 HG3 -0.02 -0.07 0.02 -0.04 1.46 1.36 3fewX1 LYS 285 HD2 -0.03 -0.06 -0.08 -0.04 1.69 1.48 3fewX1 LYS 285 HD3 -0.07 0.08 -0.16 -0.04 1.68 1.49 3fewX1 LYS 285 HE2 -0.05 -0.00 -0.03 -0.04 2.99 2.87 3fewX1 LYS 285 HE3 -0.03 0.07 -0.12 -0.04 2.99 2.87 3fewX1 LYS 286 H -0.03 0.54 -0.20 -0.55 8.42 8.18 3fewX1 LYS 286 HA 0.03 0.02 0.34 -0.75 4.32 3.96 3fewX1 LYS 286 HB2 -0.03 0.15 0.14 -0.04 1.87 2.09 3fewX1 LYS 286 HB3 -0.01 0.04 0.13 -0.04 1.79 1.90 3fewX1 LYS 286 HG2 0.03 -0.03 -0.00 -0.04 1.46 1.41 3fewX1 LYS 286 HG3 -0.02 -0.01 0.01 -0.04 1.46 1.40 3fewX1 LYS 286 HD2 -0.02 -0.03 -0.03 -0.04 1.69 1.58 3fewX1 LYS 286 HD3 -0.00 0.00 -0.04 -0.04 1.68 1.60 3fewX1 LYS 286 HE2 -0.02 -0.01 -0.02 -0.04 2.99 2.90 3fewX1 LYS 286 HE3 -0.01 -0.02 -0.02 -0.04 2.99 2.91 3fewX1 ALA 287 H -0.01 0.72 0.01 -0.55 8.40 8.58 3fewX1 ALA 287 HA 0.01 -0.01 0.37 -0.75 4.34 3.96 3fewX1 ALA 287 HB3 0.00 -0.01 -0.02 -0.04 1.41 1.34 3fewX1 ALA 288 H -0.04 0.64 -0.24 -0.55 8.40 8.21 3fewX1 ALA 288 HA -0.48 -0.02 0.33 -0.75 4.34 3.42 3fewX1 ALA 288 HB3 -0.14 0.03 0.07 -0.04 1.41 1.33 3fewX1 TYR 289 H 0.06 0.52 -0.18 -0.55 8.29 8.14 3fewX1 TYR 289 HA -0.00 0.01 0.39 -0.75 4.56 4.21 3fewX1 TYR 289 HB2 -0.03 0.07 0.12 -0.04 3.06 3.17 3fewX1 TYR 289 HB3 -0.02 0.08 0.18 -0.04 2.98 3.18 3fewX1 TYR 289 HD2 -0.01 0.09 -0.03 -0.04 7.15 7.16 3fewX1 TYR 289 HE2 -0.04 0.01 -0.02 -0.04 6.85 6.76 3fewX1 ASP 290 H 0.09 0.75 -0.04 -0.55 8.40 8.65 3fewX1 ASP 290 HA -0.03 -0.01 0.38 -0.75 4.63 4.21 3fewX1 ASP 290 HB2 0.02 0.05 0.12 -0.04 2.71 2.86 3fewX1 ASP 290 HB3 0.02 -0.06 0.00 -0.04 2.70 2.62 3fewX1 VAL 291 H -0.11 0.57 -0.18 -0.55 8.24 7.97 3fewX1 VAL 291 HA -0.07 0.01 0.55 -0.75 4.13 3.87 3fewX1 VAL 291 HB -0.25 0.09 0.05 -0.04 2.12 1.97 3fewX1 VAL 291 HG13 0.10 -0.01 -0.12 -0.04 0.97 0.90 3fewX1 VAL 291 HG23 0.00 0.03 -0.06 -0.04 0.95 0.88 3fewX1 PHE 292 H -0.12 0.63 -0.01 -0.55 8.34 8.29 3fewX1 PHE 292 HA 0.26 0.07 0.51 -0.75 4.62 4.70 3fewX1 PHE 292 HB2 0.01 0.00 0.10 -0.04 3.15 3.23 3fewX1 PHE 292 HB3 -0.17 0.10 0.22 -0.04 3.06 3.17 3fewX1 PHE 292 HD2 -0.02 0.12 -0.06 -0.04 7.28 7.27 3fewX1 PHE 292 HE2 0.10 -0.00 -0.19 -0.04 7.38 7.25 3fewX1 PHE 292 HZ 0.03 0.13 -0.34 -0.04 7.32 7.11 3fewX1 TYR 293 H -0.10 0.73 -0.14 -0.55 8.29 8.24 3fewX1 TYR 293 HA -0.35 0.00 0.36 -0.75 4.56 3.81 3fewX1 TYR 293 HB2 -0.86 0.03 0.04 -0.04 3.06 2.22 3fewX1 TYR 293 HB3 -0.28 0.07 0.01 -0.04 2.98 2.74 3fewX1 TYR 293 HD2 -0.04 0.02 -0.06 -0.04 7.15 7.04 3fewX1 TYR 293 HE2 0.07 -0.05 -0.03 -0.04 6.85 6.80 3fewX1 SER 294 H -0.24 0.39 -0.63 -0.55 8.46 7.43 3fewX1 SER 294 HA -0.24 0.00 0.32 -0.75 4.49 3.82 3fewX1 SER 294 HB2 -0.28 -0.11 0.11 -0.04 3.95 3.63 3fewX1 SER 294 HB3 -0.18 0.15 0.15 -0.04 3.93 4.02 3fewX1 PHE 295 H -0.25 0.39 -0.41 -0.55 8.34 7.52 3fewX1 PHE 295 HA -0.03 0.12 0.77 -0.75 4.62 4.74 3fewX1 PHE 295 HB2 -0.27 0.15 0.21 -0.04 3.15 3.20 3fewX1 PHE 295 HB3 -0.13 -0.15 0.08 -0.04 3.06 2.82 3fewX1 PHE 295 HD2 -0.06 0.05 0.07 -0.04 7.28 7.31 3fewX1 PHE 295 HE2 -0.32 0.01 -0.11 -0.04 7.38 6.92 3fewX1 PHE 295 HZ -0.52 -0.06 -0.11 -0.04 7.32 6.59 3fewX1 SER 296 H 0.07 0.24 0.16 -0.55 8.46 8.39 3fewX1 SER 296 HA -0.09 0.11 0.43 -0.75 4.49 4.18 3fewX1 SER 296 HB2 -0.01 -0.01 0.10 -0.04 3.95 3.99 3fewX1 SER 296 HB3 -0.01 0.12 0.15 -0.04 3.93 4.15 3fewX1 MET 297 H 0.03 0.16 -0.10 -0.55 8.47 8.02 3fewX1 MET 297 HA 0.01 -0.00 0.47 -0.75 4.52 4.24 3fewX1 MET 297 HB2 -0.02 -0.03 0.16 -0.04 2.15 2.22 3fewX1 MET 297 HB3 -0.09 0.12 0.03 -0.04 2.03 2.05 3fewX1 MET 297 HG2 -0.03 0.07 -0.10 -0.04 2.63 2.52 3fewX1 MET 297 HG3 0.03 -0.08 0.10 -0.04 2.56 2.57 3fewX1 MET 297 HE3 0.13 0.02 -0.02 -0.04 2.10 2.18 3fewX1 ASN 298 H -0.10 0.27 -0.40 -0.55 8.53 7.75 3fewX1 ASN 298 HA -0.12 0.07 0.51 -0.75 4.76 4.46 3fewX1 ASN 298 HB2 -0.44 0.24 0.19 -0.04 2.88 2.82 3fewX1 ASN 298 HB3 -0.92 -0.06 -0.03 -0.04 2.79 1.74 3fewX1 ASN 298 HD21 -0.21 0.26 0.20 -0.04 7.03 7.24 3fewX1 ASN 298 HD22 -0.52 0.53 0.28 -0.04 7.74 7.99 3fewX1 ARG 299 H -0.18 0.39 0.03 -0.55 8.46 8.15 3fewX1 ARG 299 HA -0.02 0.07 0.53 -0.75 4.34 4.16 3fewX1 ARG 299 HB2 -0.18 -0.01 0.18 -0.04 1.90 1.85 3fewX1 ARG 299 HB3 -0.12 -0.08 0.03 -0.04 1.80 1.59 3fewX1 ARG 299 HG2 -1.29 -0.05 0.05 -0.04 1.67 0.34 3fewX1 ARG 299 HG3 -0.68 0.27 0.00 -0.04 1.67 1.22 3fewX1 ARG 299 HD2 -0.38 -0.12 -0.02 -0.04 3.22 2.66 3fewX1 ARG 299 HD3 -0.90 0.15 -0.01 -0.04 3.22 2.43 3fewX1 ASP 300 H -0.02 0.67 -0.05 -0.55 8.40 8.45 3fewX1 ASP 300 HA 0.05 -0.00 0.43 -0.75 4.63 4.36 3fewX1 ASP 300 HB2 0.02 0.15 0.14 -0.04 2.71 2.98 3fewX1 ASP 300 HB3 0.04 -0.06 0.03 -0.04 2.70 2.67 3fewX1 ARG 301 H 0.04 0.43 -0.19 -0.55 8.46 8.20 3fewX1 ARG 301 HA 0.11 0.00 0.53 -0.75 4.34 4.23 3fewX1 ARG 301 HB2 0.04 0.10 0.19 -0.04 1.90 2.19 3fewX1 ARG 301 HB3 0.05 0.18 0.19 -0.04 1.80 2.18 3fewX1 ARG 301 HG2 0.16 -0.05 -0.14 -0.04 1.67 1.60 3fewX1 ARG 301 HG3 0.14 -0.09 0.08 -0.04 1.67 1.76 3fewX1 ARG 301 HD2 -0.11 -0.10 -0.00 -0.04 3.22 2.96 3fewX1 ARG 301 HD3 0.00 0.00 0.04 -0.04 3.22 3.23 3fewX1 ILE 302 H 0.18 0.54 -0.15 -0.55 8.25 8.26 3fewX1 ILE 302 HA 0.35 -0.05 0.46 -0.75 4.18 4.19 3fewX1 ILE 302 HB 0.26 0.20 0.19 -0.04 1.89 2.50 3fewX1 ILE 302 HG12 0.48 -0.13 0.12 -0.04 1.49 1.91 3fewX1 ILE 302 HG13 0.33 0.15 0.18 -0.04 1.21 1.82 3fewX1 ILE 302 HG23 0.27 -0.04 -0.00 -0.04 0.93 1.12 3fewX1 ILE 302 HD13 0.52 -0.02 -0.05 -0.04 0.88 1.29 3fewX1 GLN 303 H 0.14 0.39 -0.33 -0.55 8.47 8.11 3fewX1 GLN 303 HA 0.13 -0.02 0.50 -0.75 4.36 4.22 3fewX1 GLN 303 HB2 0.10 0.09 0.13 -0.04 2.15 2.43 3fewX1 GLN 303 HB3 0.09 0.08 0.24 -0.04 2.02 2.39 3fewX1 GLN 303 HG2 0.07 -0.01 0.03 -0.04 2.40 2.44 3fewX1 GLN 303 HG3 0.08 -0.03 -0.11 -0.04 2.39 2.29 3fewX1 GLN 303 HE21 0.10 0.41 0.18 -0.04 6.97 7.63 3fewX1 GLN 303 HE22 0.08 -0.11 0.04 -0.04 7.69 7.66 3fewX1 SER 304 H 0.11 0.65 0.10 -0.55 8.46 8.77 3fewX1 SER 304 HA 0.08 0.01 0.46 -0.75 4.49 4.28 3fewX1 SER 304 HB2 0.10 0.08 0.20 -0.04 3.95 4.29 3fewX1 SER 304 HB3 0.08 -0.03 0.04 -0.04 3.93 3.98 3fewX1 ASP 305 H 0.16 0.58 -0.14 -0.55 8.40 8.45 3fewX1 ASP 305 HA 0.11 0.16 0.35 -0.75 4.63 4.49 3fewX1 ASP 305 HB2 0.31 0.23 0.07 -0.04 2.71 3.27 3fewX1 ASP 305 HB3 0.07 -0.21 0.05 -0.04 2.70 2.57 3fewX1 VAL 306 H 0.13 0.28 -0.26 -0.55 8.24 7.84 3fewX1 VAL 306 HA 0.18 0.20 1.07 -0.75 4.13 4.83 3fewX1 VAL 306 HB 0.10 0.19 0.16 -0.04 2.12 2.53 3fewX1 VAL 306 HG13 -0.03 -0.04 -0.21 -0.04 0.97 0.65 3fewX1 VAL 306 HG23 -0.13 -0.02 -0.14 -0.04 0.95 0.62 3fewX1 LEU 307 H 0.13 0.49 0.29 -0.55 8.37 8.73 3fewX1 LEU 307 HA 0.09 0.04 0.30 -0.75 4.35 4.03 3fewX1 LEU 307 HB2 0.13 0.04 0.25 -0.04 1.64 2.02 3fewX1 LEU 307 HB3 0.13 0.12 0.08 -0.04 1.64 1.92 3fewX1 LEU 307 HG 0.17 0.01 0.05 -0.04 1.64 1.82 3fewX1 LEU 307 HD13 0.22 -0.00 0.01 -0.04 0.93 1.12 3fewX1 LEU 307 HD23 0.16 0.05 0.01 -0.04 0.89 1.07 3fewX1 ASN 308 H 0.09 0.62 0.10 -0.55 8.53 8.80 3fewX1 ASN 308 HA 0.06 0.03 0.44 -0.75 4.76 4.53 3fewX1 ASN 308 HB2 0.07 0.21 0.18 -0.04 2.88 3.30 3fewX1 ASN 308 HB3 0.04 -0.03 -0.02 -0.04 2.79 2.74 3fewX1 ASN 308 HD21 0.05 -0.05 -0.05 -0.04 7.03 6.95 3fewX1 ASN 308 HD22 0.05 0.02 0.02 -0.04 7.74 7.79 3fewX1 LYS 309 H 0.08 0.14 -0.55 -0.55 8.42 7.53 3fewX1 LYS 309 HA -0.00 0.06 0.32 -0.75 4.32 3.94 3fewX1 LYS 309 HB2 0.11 0.10 -0.05 -0.04 1.87 1.99 3fewX1 LYS 309 HB3 -0.09 -0.03 -0.06 -0.04 1.79 1.56 3fewX1 LYS 309 HG2 0.07 0.06 -0.16 -0.04 1.46 1.39 3fewX1 LYS 309 HG3 0.03 0.08 -0.12 -0.04 1.46 1.40 3fewX1 LYS 309 HD2 -0.05 -0.03 -0.00 -0.04 1.69 1.57 3fewX1 LYS 309 HD3 0.01 -0.10 -0.08 -0.04 1.68 1.46 3fewX1 LYS 309 HE2 0.04 0.11 0.04 -0.04 2.99 3.14 3fewX1 LYS 309 HE3 0.00 0.24 0.05 -0.04 2.99 3.24 3fewX1 ALA 310 H 0.10 0.61 -0.06 -0.55 8.40 8.50 3fewX1 ALA 310 HA 0.06 -0.01 0.41 -0.75 4.34 4.04 3fewX1 ALA 310 HB3 0.09 0.02 0.08 -0.04 1.41 1.55 3fewX1 ALA 311 H 0.04 0.55 -0.33 -0.55 8.40 8.11 3fewX1 ALA 311 HA 0.00 -0.04 0.46 -0.75 4.34 4.00 3fewX1 ALA 311 HB3 0.03 0.04 0.08 -0.04 1.41 1.52 3fewX1 GLU 312 H 0.01 0.58 -0.09 -0.55 8.60 8.55 3fewX1 GLU 312 HA -0.00 -0.02 0.43 -0.75 4.29 3.95 3fewX1 GLU 312 HB2 -0.01 0.18 0.18 -0.04 2.09 2.40 3fewX1 GLU 312 HB3 -0.01 -0.07 0.04 -0.04 1.99 1.90 3fewX1 GLU 312 HG2 0.00 -0.08 0.04 -0.04 2.34 2.26 3fewX1 GLU 312 HG3 0.01 0.27 0.12 -0.04 2.34 2.70 3fewX1 VAL 313 H -0.01 0.49 -0.29 -0.55 8.24 7.88 3fewX1 VAL 313 HA -0.02 0.02 0.40 -0.75 4.13 3.78 3fewX1 VAL 313 HB -0.01 0.11 0.10 -0.04 2.12 2.28 3fewX1 VAL 313 HG13 -0.01 -0.02 -0.13 -0.04 0.97 0.77 3fewX1 VAL 313 HG23 -0.06 0.05 -0.01 -0.04 0.95 0.88 3fewX1 ILE 314 H -0.01 0.63 -0.01 -0.55 8.25 8.30 3fewX1 ILE 314 HA -0.03 -0.02 0.43 -0.75 4.18 3.82 3fewX1 ILE 314 HB -0.04 0.11 0.12 -0.04 1.89 2.04 3fewX1 ILE 314 HG12 -0.02 0.44 0.09 -0.04 1.49 1.96 3fewX1 ILE 314 HG13 -0.05 -0.05 -0.09 -0.04 1.21 0.97 3fewX1 ILE 314 HG23 -0.11 -0.02 -0.02 -0.04 0.93 0.75 3fewX1 ILE 314 HD13 -0.05 -0.04 -0.05 -0.04 0.88 0.70 3fewX1 SER 315 H -0.01 0.40 -0.50 -0.55 8.46 7.80 3fewX1 SER 315 HA -0.02 0.03 0.42 -0.75 4.49 4.17 3fewX1 SER 315 HB2 -0.01 0.15 0.19 -0.04 3.95 4.25 3fewX1 SER 315 HB3 -0.00 -0.04 -0.05 -0.04 3.93 3.79 3fewX1 ASP 316 H -0.01 0.60 0.04 -0.55 8.40 8.48 3fewX1 ASP 316 HA 0.00 -0.01 0.40 -0.75 4.63 4.27 3fewX1 ASP 316 HB2 -0.01 0.15 0.16 -0.04 2.71 2.97 3fewX1 ASP 316 HB3 -0.01 -0.03 -0.01 -0.04 2.70 2.61 3fewX1 ILE 317 H 0.01 0.49 -0.29 -0.55 8.25 7.91 3fewX1 ILE 317 HA 0.04 0.02 0.42 -0.75 4.18 3.90 3fewX1 ILE 317 HB 0.03 0.18 0.08 -0.04 1.89 2.14 3fewX1 ILE 317 HG12 0.02 -0.03 0.00 -0.04 1.49 1.44 3fewX1 ILE 317 HG13 0.01 0.03 0.03 -0.04 1.21 1.23 3fewX1 ILE 317 HG23 0.12 -0.02 -0.11 -0.04 0.93 0.87 3fewX1 ILE 317 HD13 0.00 -0.03 -0.10 -0.04 0.88 0.71 3fewX1 GLY 318 H 0.04 0.44 -0.28 -0.55 8.43 8.08 3fewX1 GLY 318 HA2 0.24 -0.05 0.33 -0.51 4.01 4.03 3fewX1 GLY 318 HA3 0.04 0.10 0.31 -0.51 4.01 3.95 3fewX1 ASN 319 H 0.04 0.39 -0.33 -0.55 8.53 8.07 3fewX1 ASN 319 HA 0.02 0.04 0.68 -0.75 4.76 4.75 3fewX1 ASN 319 HB2 0.01 0.13 0.14 -0.04 2.88 3.11 3fewX1 ASN 319 HB3 -0.00 -0.04 -0.00 -0.04 2.79 2.71 3fewX1 ASN 319 HD21 -0.00 -0.03 -0.07 -0.04 7.03 6.89 3fewX1 ASN 319 HD22 -0.00 0.00 -0.03 -0.04 7.74 7.67 3fewX1 LYS 320 H 0.03 0.63 0.09 -0.55 8.42 8.61 3fewX1 LYS 320 HA 0.02 0.02 0.45 -0.75 4.32 4.06 3fewX1 LYS 320 HB2 0.02 0.03 0.12 -0.04 1.87 1.99 3fewX1 LYS 320 HB3 0.03 0.01 0.22 -0.04 1.79 2.01 3fewX1 LYS 320 HG2 0.00 0.05 -0.06 -0.04 1.46 1.41 3fewX1 LYS 320 HG3 0.09 -0.08 -0.23 -0.04 1.46 1.20 3fewX1 LYS 320 HD2 0.04 -0.08 0.05 -0.04 1.69 1.66 3fewX1 LYS 320 HD3 -0.00 -0.01 0.04 -0.04 1.68 1.67 3fewX1 LYS 320 HE2 -0.05 0.19 0.13 -0.04 2.99 3.23 3fewX1 LYS 320 HE3 0.03 -0.16 0.04 -0.04 2.99 2.85 3fewX1 VAL 321 H 0.05 0.78 -0.00 -0.55 8.24 8.52 3fewX1 VAL 321 HA 0.04 0.02 0.27 -0.75 4.13 3.71 3fewX1 VAL 321 HB -0.19 0.09 -0.02 -0.04 2.12 1.96 3fewX1 VAL 321 HG13 -0.63 -0.04 -0.16 -0.04 0.97 0.10 3fewX1 VAL 321 HG23 -0.05 -0.00 -0.03 -0.04 0.95 0.82 3fewX1 GLY 322 H 0.08 0.31 -0.46 -0.55 8.43 7.81 3fewX1 GLY 322 HA2 0.09 0.01 0.32 -0.51 4.01 3.92 3fewX1 GLY 322 HA3 0.08 0.20 0.30 -0.51 4.01 4.08 3fewX1 ASP 323 H -0.05 0.50 -0.36 -0.55 8.40 7.93 3fewX1 ASP 323 HA -0.11 -0.01 0.52 -0.75 4.63 4.28 3fewX1 ASP 323 HB2 -0.32 0.23 0.13 -0.04 2.71 2.71 3fewX1 ASP 323 HB3 -0.39 -0.07 0.03 -0.04 2.70 2.24 3fewX1 TYR 324 H -0.01 0.35 -0.24 -0.55 8.29 7.84 3fewX1 TYR 324 HA -0.03 0.13 0.78 -0.75 4.56 4.68 3fewX1 TYR 324 HB2 -0.09 0.04 0.05 -0.04 3.06 3.02 3fewX1 TYR 324 HB3 -0.06 -0.06 0.19 -0.04 2.98 3.01 3fewX1 TYR 324 HD2 -0.05 0.06 0.04 -0.04 7.15 7.16 3fewX1 TYR 324 HE2 -0.04 0.01 0.01 -0.04 6.85 6.79 3fewX1 LEU 325 H -0.00 0.13 -0.35 -0.55 8.37 7.59 3fewX1 LEU 325 HA 0.01 0.15 0.87 -0.75 4.35 4.63 3fewX1 LEU 325 HB2 -0.10 -0.04 -0.36 -0.04 1.64 1.11 3fewX1 LEU 325 HB3 -0.15 -0.03 -0.12 -0.04 1.64 1.30 3fewX1 LEU 325 HG -0.01 -0.02 0.12 -0.04 1.64 1.69 3fewX1 LEU 325 HD13 -0.02 0.00 0.07 -0.04 0.93 0.94 3fewX1 LEU 325 HD23 -0.38 -0.03 -0.08 -0.04 0.89 0.36 3fewX1 GLY 326 H 0.01 0.41 0.18 -0.55 8.43 8.48 3fewX1 GLY 326 HA2 0.02 0.05 0.41 -0.51 4.01 3.98 3fewX1 GLY 326 HA3 0.03 0.13 0.60 -0.51 4.01 4.26 3fewX1 ASP 327 H 0.03 0.21 0.19 -0.55 8.40 8.28 3fewX1 ASP 327 HA 0.05 0.10 0.67 -0.75 4.63 4.69 3fewX1 ASP 327 HB2 0.02 0.01 0.17 -0.04 2.71 2.86 3fewX1 ASP 327 HB3 0.02 0.06 0.09 -0.04 2.70 2.82 3fewX1 ALA 328 H 0.06 0.17 -0.26 -0.55 8.40 7.82 3fewX1 ALA 328 HA 0.03 0.11 0.68 -0.75 4.34 4.41 3fewX1 ALA 328 HB3 0.05 0.05 0.05 -0.04 1.41 1.52 3fewX1 TYR 329 H 0.17 0.30 -0.15 -0.55 8.29 8.05 3fewX1 TYR 329 HA -0.01 0.07 0.55 -0.75 4.56 4.42 3fewX1 TYR 329 HB2 -0.00 0.10 -0.02 -0.04 3.06 3.10 3fewX1 TYR 329 HB3 0.00 0.14 -0.06 -0.04 2.98 3.02 3fewX1 TYR 329 HD2 -0.02 0.05 -0.24 -0.04 7.15 6.90 3fewX1 TYR 329 HE2 -0.04 0.09 -0.25 -0.04 6.85 6.60 3fewX1 LYS 330 H 0.14 0.30 -0.03 -0.55 8.42 8.27 3fewX1 LYS 330 HA 0.06 0.13 0.47 -0.75 4.32 4.23 3fewX1 LYS 330 HB2 0.04 -0.09 0.16 -0.04 1.87 1.94 3fewX1 LYS 330 HB3 0.02 0.01 -0.08 -0.04 1.79 1.70 3fewX1 LYS 330 HG2 0.05 0.11 -0.01 -0.04 1.46 1.57 3fewX1 LYS 330 HG3 0.08 0.01 0.10 -0.04 1.46 1.60 3fewX1 LYS 330 HD2 0.02 -0.08 -0.04 -0.04 1.69 1.55 3fewX1 LYS 330 HD3 0.01 -0.01 -0.03 -0.04 1.68 1.61 3fewX1 LYS 330 HE2 0.01 0.03 -0.02 -0.04 2.99 2.97 3fewX1 LYS 330 HE3 0.00 0.01 -0.21 -0.04 2.99 2.75 3fewX1 SER 331 H 0.01 0.34 -0.51 -0.55 8.46 7.75 3fewX1 SER 331 HA -0.01 0.03 0.34 -0.75 4.49 4.09 3fewX1 SER 331 HB2 0.01 0.29 0.22 -0.04 3.95 4.43 3fewX1 SER 331 HB3 0.00 0.08 0.07 -0.04 3.93 4.04 3fewX1 LEU 332 H -0.07 0.48 -0.19 -0.55 8.37 8.03 3fewX1 LEU 332 HA -0.01 -0.01 0.39 -0.75 4.35 3.96 3fewX1 LEU 332 HB2 -0.06 0.07 0.09 -0.04 1.64 1.70 3fewX1 LEU 332 HB3 -0.28 0.08 0.16 -0.04 1.64 1.56 3fewX1 LEU 332 HG -0.26 -0.03 -0.26 -0.04 1.64 1.05 3fewX1 LEU 332 HD13 0.15 -0.03 0.02 -0.04 0.93 1.03 3fewX1 LEU 332 HD23 -0.12 0.01 -0.09 -0.04 0.89 0.65 3fewX1 ALA 333 H -0.33 0.79 -0.16 -0.55 8.40 8.15 3fewX1 ALA 333 HA -0.31 -0.04 0.41 -0.75 4.34 3.65 3fewX1 ALA 333 HB3 -0.25 0.07 0.12 -0.04 1.41 1.32 3fewX1 ARG 334 H -0.08 0.43 -0.48 -0.55 8.46 7.78 3fewX1 ARG 334 HA -0.04 0.03 0.60 -0.75 4.34 4.19 3fewX1 ARG 334 HB2 -0.02 0.17 0.11 -0.04 1.90 2.13 3fewX1 ARG 334 HB3 -0.00 -0.08 0.04 -0.04 1.80 1.71 3fewX1 ARG 334 HG2 -0.03 0.14 -0.01 -0.04 1.67 1.73 3fewX1 ARG 334 HG3 -0.01 -0.04 -0.04 -0.04 1.67 1.54 3fewX1 ARG 334 HD2 -0.00 -0.03 -0.01 -0.04 3.22 3.13 3fewX1 ARG 334 HD3 -0.02 -0.02 -0.05 -0.04 3.22 3.09 3fewX1 GLU 335 H -0.02 0.40 -0.14 -0.55 8.60 8.30 3fewX1 GLU 335 HA 0.08 0.06 0.59 -0.75 4.29 4.27 3fewX1 GLU 335 HB2 0.17 0.15 0.20 -0.04 2.09 2.57 3fewX1 GLU 335 HB3 0.42 -0.06 -0.03 -0.04 1.99 2.27 3fewX1 GLU 335 HG2 0.06 0.03 -0.02 -0.04 2.34 2.37 3fewX1 GLU 335 HG3 0.09 -0.01 -0.03 -0.04 2.34 2.35 3fewX1 ILE 336 H -0.17 0.50 -0.11 -0.55 8.25 7.93 3fewX1 ILE 336 HA -0.34 0.02 0.34 -0.75 4.18 3.45 3fewX1 ILE 336 HB -0.31 0.13 0.11 -0.04 1.89 1.77 3fewX1 ILE 336 HG12 -2.12 -0.07 0.00 -0.04 1.49 -0.75 3fewX1 ILE 336 HG13 -0.64 0.27 0.07 -0.04 1.21 0.87 3fewX1 ILE 336 HG23 -0.33 -0.02 -0.15 -0.04 0.93 0.39 3fewX1 ILE 336 HD13 -0.47 -0.01 0.00 -0.04 0.88 0.36 3fewX1 ALA 337 H -0.09 0.58 -0.09 -0.55 8.40 8.25 3fewX1 ALA 337 HA -0.03 -0.00 0.41 -0.75 4.34 3.96 3fewX1 ALA 337 HB3 -0.02 0.03 0.05 -0.04 1.41 1.43 3fewX1 ASP 338 H 0.02 0.42 -0.43 -0.55 8.40 7.86 3fewX1 ASP 338 HA 0.04 0.00 0.38 -0.75 4.63 4.30 3fewX1 ASP 338 HB2 0.06 0.14 0.16 -0.04 2.71 3.03 3fewX1 ASP 338 HB3 0.06 -0.06 -0.03 -0.04 2.70 2.62 3fewX1 ASP 339 H 0.11 0.51 -0.21 -0.55 8.40 8.25 3fewX1 ASP 339 HA 0.15 0.04 0.40 -0.75 4.63 4.45 3fewX1 ASP 339 HB2 0.25 0.10 0.10 -0.04 2.71 3.12 3fewX1 ASP 339 HB3 0.26 -0.04 -0.08 -0.04 2.70 2.81 3fewX1 VAL 340 H 0.06 0.52 -0.26 -0.55 8.24 8.01 3fewX1 VAL 340 HA 0.02 0.02 0.50 -0.75 4.13 3.91 3fewX1 VAL 340 HB 0.00 0.12 0.13 -0.04 2.12 2.34 3fewX1 VAL 340 HG13 -0.01 -0.01 -0.17 -0.04 0.97 0.74 3fewX1 VAL 340 HG23 -0.07 0.01 -0.09 -0.04 0.95 0.76 3fewX1 LYS 341 H 0.07 0.58 -0.11 -0.55 8.42 8.41 3fewX1 LYS 341 HA 0.09 -0.02 0.28 -0.75 4.32 3.92 3fewX1 LYS 341 HB2 0.05 0.04 0.09 -0.04 1.87 2.01 3fewX1 LYS 341 HB3 0.07 0.14 0.09 -0.04 1.79 2.04 3fewX1 LYS 341 HG2 0.06 -0.01 -0.10 -0.04 1.46 1.37 3fewX1 LYS 341 HG3 0.07 -0.07 0.01 -0.04 1.46 1.42 3fewX1 LYS 341 HD2 0.04 -0.04 -0.01 -0.04 1.69 1.64 3fewX1 LYS 341 HD3 0.04 0.01 -0.02 -0.04 1.68 1.67 3fewX1 LYS 341 HE2 0.04 -0.01 -0.05 -0.04 2.99 2.94 3fewX1 LYS 341 HE3 0.03 -0.03 -0.03 -0.04 2.99 2.92 3fewX1 ASN 342 H 0.13 0.35 -0.43 -0.55 8.53 8.03 3fewX1 ASN 342 HA 0.10 0.10 0.80 -0.75 4.76 5.01 3fewX1 ASN 342 HB2 0.09 0.06 0.08 -0.04 2.88 3.07 3fewX1 ASN 342 HB3 0.07 -0.07 0.16 -0.04 2.79 2.91 3fewX1 ASN 342 HD21 0.05 -0.09 -0.05 -0.04 7.03 6.90 3fewX1 ASN 342 HD22 0.07 0.46 0.02 -0.04 7.74 8.25 3fewX1 PHE 343 H 0.27 0.31 -0.54 -0.55 8.34 7.83 3fewX1 PHE 343 HA 0.06 0.09 0.32 -0.75 4.62 4.34 3fewX1 PHE 343 HB2 0.07 0.27 0.18 -0.04 3.15 3.63 3fewX1 PHE 343 HB3 0.08 -0.07 -0.00 -0.04 3.06 3.03 3fewX1 PHE 343 HD2 0.06 0.08 -0.11 -0.04 7.28 7.28 3fewX1 PHE 343 HE2 0.04 -0.04 -0.18 -0.04 7.38 7.16 3fewX1 PHE 343 HZ 0.03 -0.01 -0.49 -0.04 7.32 6.80 3fewX1 GLN 344 H 0.19 0.09 -0.16 -0.55 8.47 8.05 3fewX1 GLN 344 HA 0.18 0.02 0.28 -0.75 4.36 4.09 3fewX1 GLN 344 HB2 -0.00 0.19 -0.50 -0.04 2.15 1.79 3fewX1 GLN 344 HB3 0.06 -0.23 0.14 -0.04 2.02 1.95 3fewX1 GLN 344 HG2 0.08 -0.02 -0.01 -0.04 2.40 2.41 3fewX1 GLN 344 HG3 0.09 -0.02 -0.11 -0.04 2.39 2.31 3fewX1 GLN 344 HE21 0.02 -0.08 0.00 -0.04 6.97 6.87 3fewX1 GLN 344 HE22 0.03 0.47 -0.03 -0.04 7.69 8.12 3fewX1 GLY 345 H 0.02 0.12 0.12 -0.55 8.43 8.14 3fewX1 GLY 345 HA2 -0.19 0.17 0.78 -0.51 4.01 4.26 3fewX1 GLY 345 HA3 0.01 -0.02 0.38 -0.51 4.01 3.87 3fewX1 LYS 346 H -0.36 0.53 -0.19 -0.55 8.42 7.85 3fewX1 LYS 346 HA -0.23 0.05 0.61 -0.75 4.32 3.99 3fewX1 LYS 346 HB2 -1.60 0.12 0.09 -0.04 1.87 0.45 3fewX1 LYS 346 HB3 -0.61 0.00 0.05 -0.04 1.79 1.19 3fewX1 LYS 346 HG2 -0.22 -0.07 0.02 -0.04 1.46 1.15 3fewX1 LYS 346 HG3 -0.28 -0.05 0.02 -0.04 1.46 1.10 3fewX1 LYS 346 HD2 -0.37 0.09 0.06 -0.04 1.69 1.42 3fewX1 LYS 346 HD3 -0.23 -0.03 0.02 -0.04 1.68 1.41 3fewX1 LYS 346 HE2 -0.04 -0.04 0.00 -0.04 2.99 2.87 3fewX1 LYS 346 HE3 -0.09 -0.07 0.00 -0.04 2.99 2.79 3fewX1 THR 347 H -0.12 0.16 0.18 -0.55 8.28 7.95 3fewX1 THR 347 HA 0.08 0.11 1.01 -0.75 4.39 4.84 3fewX1 THR 347 HB -0.01 -0.05 0.12 -0.04 4.32 4.35 3fewX1 THR 347 HG23 -0.06 0.01 -0.06 -0.04 1.22 1.07 3fewX1 ILE 348 H 0.20 -0.01 0.11 -0.55 8.25 8.00 3fewX1 ILE 348 HA 0.29 0.18 0.47 -0.75 4.18 4.37 3fewX1 ILE 348 HB 0.03 0.07 0.10 -0.04 1.89 2.04 3fewX1 ILE 348 HG12 0.05 -0.11 0.12 -0.04 1.49 1.51 3fewX1 ILE 348 HG13 0.02 0.04 -0.08 -0.04 1.21 1.14 3fewX1 ILE 348 HG23 0.03 -0.02 0.03 -0.04 0.93 0.92 3fewX1 ILE 348 HD13 -0.05 -0.01 -0.06 -0.04 0.88 0.72 3fewX1 ARG 349 H 0.10 0.69 0.32 -0.55 8.46 9.01 3fewX1 ARG 349 HA 0.03 0.01 0.46 -0.75 4.34 4.08 3fewX1 ARG 349 HB2 0.03 0.09 0.06 -0.04 1.90 2.04 3fewX1 ARG 349 HB3 0.01 -0.16 0.02 -0.04 1.80 1.63 3fewX1 ARG 349 HG2 0.03 -0.08 -0.00 -0.04 1.67 1.58 3fewX1 ARG 349 HG3 0.09 0.21 -0.03 -0.04 1.67 1.89 3fewX1 ARG 349 HD2 0.06 0.14 -0.61 -0.04 3.22 2.77 3fewX1 ARG 349 HD3 0.05 0.17 -0.48 -0.04 3.22 2.92 3fewX1 SER 350 H 0.01 0.06 0.15 -0.55 8.46 8.13 3fewX1 SER 350 HA 0.02 0.18 0.44 -0.75 4.49 4.37 3fewX1 SER 350 HB2 0.03 -0.05 0.14 -0.04 3.95 4.03 3fewX1 SER 350 HB3 0.01 0.15 0.15 -0.04 3.93 4.19 3fewX1 TYR 351 H 0.11 0.20 0.16 -0.55 8.29 8.21 3fewX1 TYR 351 HA -0.07 0.13 0.46 -0.75 4.56 4.34 3fewX1 TYR 351 HB2 -0.08 0.08 0.11 -0.04 3.06 3.13 3fewX1 TYR 351 HB3 -0.05 -0.04 0.13 -0.04 2.98 2.98 3fewX1 TYR 351 HD2 -0.06 0.01 -0.22 -0.04 7.15 6.84 3fewX1 TYR 351 HE2 -0.04 0.07 -0.03 -0.04 6.85 6.82 3fewX1 ASP 352 H 0.09 0.12 -0.10 -0.55 8.40 7.96 3fewX1 ASP 352 HA -0.16 0.09 0.36 -0.75 4.63 4.16 3fewX1 ASP 352 HB2 0.02 -0.04 0.07 -0.04 2.71 2.71 3fewX1 ASP 352 HB3 -0.01 0.07 -0.04 -0.04 2.70 2.68 3fewX1 ASP 353 H -0.03 0.03 -0.33 -0.55 8.40 7.51 3fewX1 ASP 353 HA -0.04 0.08 0.47 -0.75 4.63 4.39 3fewX1 ASP 353 HB2 -0.02 -0.01 0.09 -0.04 2.71 2.74 3fewX1 ASP 353 HB3 -0.02 0.05 -0.03 -0.04 2.70 2.67 3fewX1 ALA 354 H -0.07 0.76 -0.11 -0.55 8.40 8.42 3fewX1 ALA 354 HA -0.04 0.17 0.39 -0.75 4.34 4.11 3fewX1 ALA 354 HB3 -0.07 0.00 -0.09 -0.04 1.41 1.22 3fewX1 MET 355 H -0.28 0.76 -0.07 -0.55 8.47 8.33 3fewX1 MET 355 HA -0.15 -0.01 0.36 -0.75 4.52 3.97 3fewX1 MET 355 HB2 -0.37 0.12 0.12 -0.04 2.15 1.97 3fewX1 MET 355 HB3 -0.21 -0.03 -0.04 -0.04 2.03 1.71 3fewX1 MET 355 HG2 -1.23 0.11 0.01 -0.04 2.63 1.48 3fewX1 MET 355 HG3 -0.73 -0.05 -0.03 -0.04 2.56 1.72 3fewX1 MET 355 HE3 0.00 -0.02 -0.02 -0.04 2.10 2.02 3fewX1 ALA 356 H -0.10 0.41 -0.28 -0.55 8.40 7.88 3fewX1 ALA 356 HA -0.04 0.02 0.39 -0.75 4.34 3.95 3fewX1 ALA 356 HB3 -0.04 0.03 0.10 -0.04 1.41 1.46 3fewX1 SER 357 H -0.04 0.47 -0.20 -0.55 8.46 8.14 3fewX1 SER 357 HA -0.02 0.03 0.58 -0.75 4.49 4.32 3fewX1 SER 357 HB2 -0.01 0.19 0.16 -0.04 3.95 4.25 3fewX1 SER 357 HB3 0.00 -0.10 0.05 -0.04 3.93 3.84 3fewX1 LEU 358 H -0.04 0.49 -0.11 -0.55 8.37 8.16 3fewX1 LEU 358 HA -0.05 0.08 0.51 -0.75 4.35 4.14 3fewX1 LEU 358 HB2 -0.05 0.15 0.10 -0.04 1.64 1.80 3fewX1 LEU 358 HB3 -0.02 0.01 0.04 -0.04 1.64 1.64 3fewX1 LEU 358 HG -0.07 0.03 -0.11 -0.04 1.64 1.46 3fewX1 LEU 358 HD13 0.01 -0.02 -0.09 -0.04 0.93 0.79 3fewX1 LEU 358 HD23 -0.16 -0.00 -0.05 -0.04 0.89 0.64 3fewX1 ASN 359 H -0.02 0.75 0.01 -0.55 8.53 8.73 3fewX1 ASN 359 HA 0.04 0.00 0.40 -0.75 4.76 4.45 3fewX1 ASN 359 HB2 -0.01 0.08 0.11 -0.04 2.88 3.02 3fewX1 ASN 359 HB3 0.02 -0.01 0.00 -0.04 2.79 2.75 3fewX1 ASN 359 HD21 -0.01 -0.09 -0.06 -0.04 7.03 6.83 3fewX1 ASN 359 HD22 -0.02 -0.01 -0.10 -0.04 7.74 7.56 3fewX1 LYS 360 H -0.01 0.26 -0.54 -0.55 8.42 7.58 3fewX1 LYS 360 HA 0.01 0.05 0.46 -0.75 4.32 4.08 3fewX1 LYS 360 HB2 -0.01 0.10 0.16 -0.04 1.87 2.08 3fewX1 LYS 360 HB3 -0.01 -0.02 -0.09 -0.04 1.79 1.64 3fewX1 LYS 360 HG2 -0.00 -0.02 0.01 -0.04 1.46 1.41 3fewX1 LYS 360 HG3 -0.00 -0.01 0.02 -0.04 1.46 1.43 3fewX1 LYS 360 HD2 -0.01 -0.04 -0.02 -0.04 1.69 1.58 3fewX1 LYS 360 HD3 -0.01 0.06 -0.01 -0.04 1.68 1.68 3fewX1 LYS 360 HE2 -0.01 0.01 0.03 -0.04 2.99 2.97 3fewX1 LYS 360 HE3 -0.01 -0.01 -0.06 -0.04 2.99 2.87 3fewX1 VAL 361 H -0.01 0.31 -0.30 -0.55 8.24 7.69 3fewX1 VAL 361 HA -0.03 0.09 0.62 -0.75 4.13 4.06 3fewX1 VAL 361 HB -0.08 0.13 0.19 -0.04 2.12 2.33 3fewX1 VAL 361 HG13 -0.27 -0.00 -0.13 -0.04 0.97 0.52 3fewX1 VAL 361 HG23 -0.06 0.01 0.06 -0.04 0.95 0.92 3fewX1 LEU 362 H 0.05 0.45 0.05 -0.55 8.37 8.38 3fewX1 LEU 362 HA 0.34 0.10 0.38 -0.75 4.35 4.42 3fewX1 LEU 362 HB2 0.12 -0.03 0.07 -0.04 1.64 1.76 3fewX1 LEU 362 HB3 0.21 0.01 0.08 -0.04 1.64 1.91 3fewX1 LEU 362 HG 0.04 0.11 0.02 -0.04 1.64 1.78 3fewX1 LEU 362 HD13 0.19 -0.02 -0.06 -0.04 0.93 1.00 3fewX1 LEU 362 HD23 0.25 0.00 -0.02 -0.04 0.89 1.07 3fewX1 SER 363 H 0.08 0.27 -0.50 -0.55 8.46 7.76 3fewX1 SER 363 HA 0.07 0.11 0.61 -0.75 4.49 4.53 3fewX1 SER 363 HB2 0.04 0.12 0.06 -0.04 3.95 4.12 3fewX1 SER 363 HB3 0.04 -0.09 0.08 -0.04 3.93 3.91 3fewX1 ASN 364 H 0.11 0.32 -0.46 -0.55 8.53 7.96 3fewX1 ASN 364 HA 0.06 0.06 0.62 -0.75 4.76 4.74 3fewX1 ASN 364 HB2 0.06 0.12 0.15 -0.04 2.88 3.17 3fewX1 ASN 364 HB3 0.16 0.02 0.08 -0.04 2.79 3.02 3fewX1 ASN 364 HD21 0.03 0.02 0.02 -0.04 7.03 7.06 3fewX1 ASN 364 HD22 0.03 0.02 0.05 -0.04 7.74 7.80 3fewX1 PRO 365 HA 0.05 0.13 0.34 -0.51 4.44 4.45 3fewX1 PRO 365 HB2 0.03 -0.03 0.03 -0.04 2.28 2.27 3fewX1 PRO 365 HB3 0.02 0.01 0.08 -0.04 2.02 2.09 3fewX1 PRO 365 HG2 0.02 -0.00 0.11 -0.04 2.03 2.12 3fewX1 PRO 365 HG3 0.02 0.08 0.11 -0.04 2.03 2.21 3fewX1 PRO 365 HD2 0.03 -0.00 0.23 -0.04 3.68 3.89 3fewX1 PRO 365 HD3 0.04 0.28 0.35 -0.04 3.65 4.27 3fewX1 GLY 366 H 0.07 0.08 -0.20 -0.55 8.43 7.83 3fewX1 GLY 366 HA2 0.07 0.04 0.34 -0.51 4.01 3.95 3fewX1 GLY 366 HA3 0.09 0.00 0.15 -0.51 4.01 3.74 3fewX1 PHE 367 H 0.21 0.42 -0.83 -0.55 8.34 7.58 3fewX1 PHE 367 HA 0.10 0.16 0.91 -0.75 4.62 5.04 3fewX1 PHE 367 HB2 0.07 -0.06 -0.08 -0.04 3.15 3.03 3fewX1 PHE 367 HB3 0.08 0.17 0.13 -0.04 3.06 3.41 3fewX1 PHE 367 HD2 0.11 0.10 -0.02 -0.04 7.28 7.43 3fewX1 PHE 367 HE2 0.07 -0.05 -0.06 -0.04 7.38 7.29 3fewX1 PHE 367 HZ -0.21 -0.02 -0.06 -0.04 7.32 6.98 3fewX1 LYS 368 H -0.01 0.30 -0.09 -0.55 8.42 8.07 3fewX1 LYS 368 HA -0.26 0.14 0.66 -0.75 4.32 4.10 3fewX1 LYS 368 HB2 -0.04 -0.00 0.04 -0.04 1.87 1.83 3fewX1 LYS 368 HB3 -0.12 -0.07 -0.02 -0.04 1.79 1.54 3fewX1 LYS 368 HG2 -0.09 0.10 0.10 -0.04 1.46 1.53 3fewX1 LYS 368 HG3 -0.02 0.17 -0.16 -0.04 1.46 1.41 3fewX1 LYS 368 HD2 -0.04 -0.05 -0.01 -0.04 1.69 1.55 3fewX1 LYS 368 HD3 -0.08 -0.06 0.01 -0.04 1.68 1.50 3fewX1 LYS 368 HE2 -0.03 -0.08 -0.00 -0.04 2.99 2.84 3fewX1 LYS 368 HE3 -0.03 0.07 -0.00 -0.04 2.99 2.99 3fewX1 PHE 369 H -0.61 0.23 0.11 -0.55 8.34 7.51 3fewX1 PHE 369 HA -0.09 0.19 0.94 -0.75 4.62 4.91 3fewX1 PHE 369 HB2 -0.02 -0.08 0.04 -0.04 3.15 3.05 3fewX1 PHE 369 HB3 -0.10 0.05 0.03 -0.04 3.06 3.00 3fewX1 PHE 369 HD2 -0.35 -0.04 -0.18 -0.04 7.28 6.66 3fewX1 PHE 369 HE2 0.03 0.06 -0.04 -0.04 7.38 7.39 3fewX1 PHE 369 HZ 0.40 0.02 -0.05 -0.04 7.32 7.65 3fewX1 ASN 370 H 0.10 0.10 0.14 -0.55 8.53 8.33 3fewX1 ASN 370 HA -0.02 0.15 0.38 -0.75 4.76 4.51 3fewX1 ASN 370 HB2 0.03 0.12 0.17 -0.04 2.88 3.17 3fewX1 ASN 370 HB3 0.03 -0.32 0.09 -0.04 2.79 2.56 3fewX1 ASN 370 HD21 -0.00 0.05 0.06 -0.04 7.03 7.10 3fewX1 ASN 370 HD22 -0.00 0.08 0.05 -0.04 7.74 7.83 3fewX1 ARG 371 H -0.03 0.20 0.21 -0.55 8.46 8.29 3fewX1 ARG 371 HA -0.01 0.18 0.55 -0.75 4.34 4.31 3fewX1 ARG 371 HB2 -0.03 0.11 0.17 -0.04 1.90 2.10 3fewX1 ARG 371 HB3 -0.01 -0.06 0.18 -0.04 1.80 1.86 3fewX1 ARG 371 HG2 0.00 -0.03 -0.16 -0.04 1.67 1.44 3fewX1 ARG 371 HG3 0.00 -0.00 0.02 -0.04 1.67 1.65 3fewX1 ARG 371 HD2 -0.02 0.06 0.05 -0.04 3.22 3.27 3fewX1 ARG 371 HD3 -0.01 -0.01 0.02 -0.04 3.22 3.18 3fewX1 ALA 372 H 0.01 0.07 -0.12 -0.55 8.40 7.82 3fewX1 ALA 372 HA 0.02 0.11 0.39 -0.75 4.34 4.11 3fewX1 ALA 372 HB3 0.01 0.02 0.04 -0.04 1.41 1.44 3fewX1 ASP 373 H 0.05 0.01 -0.28 -0.55 8.40 7.64 3fewX1 ASP 373 HA 0.03 0.05 0.44 -0.75 4.63 4.40 3fewX1 ASP 373 HB2 0.12 0.00 0.15 -0.04 2.71 2.95 3fewX1 ASP 373 HB3 0.13 0.05 -0.02 -0.04 2.70 2.82 3fewX1 SER 374 H 0.17 0.60 -0.13 -0.55 8.46 8.56 3fewX1 SER 374 HA 0.29 -0.02 0.33 -0.75 4.49 4.34 3fewX1 SER 374 HB2 0.50 0.06 0.12 -0.04 3.95 4.58 3fewX1 SER 374 HB3 0.27 0.05 0.07 -0.04 3.93 4.28 3fewX1 ASP 375 H 0.08 0.58 0.01 -0.55 8.40 8.52 3fewX1 ASP 375 HA 0.10 0.02 0.42 -0.75 4.63 4.41 3fewX1 ASP 375 HB2 0.04 -0.04 0.10 -0.04 2.71 2.77 3fewX1 ASP 375 HB3 0.05 0.06 0.07 -0.04 2.70 2.84 3fewX1 ALA 376 H 0.03 0.35 -0.46 -0.55 8.40 7.77 3fewX1 ALA 376 HA 0.02 0.06 0.75 -0.75 4.34 4.42 3fewX1 ALA 376 HB3 -0.00 0.03 0.11 -0.04 1.41 1.51 3fewX1 LEU 377 H -0.05 0.55 0.02 -0.55 8.37 8.34 3fewX1 LEU 377 HA -0.06 0.02 0.57 -0.75 4.35 4.13 3fewX1 LEU 377 HB2 -0.31 0.21 0.26 -0.04 1.64 1.75 3fewX1 LEU 377 HB3 -1.09 -0.02 -0.03 -0.04 1.64 0.46 3fewX1 LEU 377 HG -0.18 -0.01 -0.01 -0.04 1.64 1.39 3fewX1 LEU 377 HD13 -0.09 -0.02 -0.04 -0.04 0.93 0.74 3fewX1 LEU 377 HD23 -0.10 0.02 -0.05 -0.04 0.89 0.71 3fewX1 ALA 378 H 0.01 0.50 -0.06 -0.55 8.40 8.29 3fewX1 ALA 378 HA 0.36 0.02 0.47 -0.75 4.34 4.44 3fewX1 ALA 378 HB3 0.16 0.03 0.07 -0.04 1.41 1.63 3fewX1 ASN 379 H 0.07 0.36 -0.36 -0.55 8.53 8.06 3fewX1 ASN 379 HA 0.09 -0.01 0.42 -0.75 4.76 4.50 3fewX1 ASN 379 HB2 0.03 0.18 0.24 -0.04 2.88 3.29 3fewX1 ASN 379 HB3 0.03 -0.04 -0.01 -0.04 2.79 2.73 3fewX1 ASN 379 HD21 0.02 -0.04 0.02 -0.04 7.03 6.99 3fewX1 ASN 379 HD22 0.02 -0.01 0.04 -0.04 7.74 7.74 3fewX1 VAL 380 H 0.07 0.42 -0.27 -0.55 8.24 7.90 3fewX1 VAL 380 HA 0.02 0.01 0.35 -0.75 4.13 3.75 3fewX1 VAL 380 HB 0.07 0.12 0.11 -0.04 2.12 2.37 3fewX1 VAL 380 HG13 -0.23 -0.00 -0.08 -0.04 0.97 0.62 3fewX1 VAL 380 HG23 -0.08 0.07 0.09 -0.04 0.95 0.99 3fewX1 TRP 381 H 0.34 0.37 -0.21 -0.55 7.97 7.92 3fewX1 TRP 381 HA 0.18 -0.00 0.47 -0.75 4.62 4.51 3fewX1 TRP 381 HB2 0.10 0.14 0.17 -0.04 3.23 3.60 3fewX1 TRP 381 HB3 0.07 -0.02 -0.02 -0.04 3.23 3.22 3fewX1 TRP 381 HD1 0.12 0.07 -0.13 -0.04 7.22 7.24 3fewX1 TRP 381 HE1 -0.44 -0.03 -0.06 -0.04 10.20 9.63 3fewX1 TRP 381 HE3 0.07 0.01 0.06 -0.04 7.59 7.69 3fewX1 TRP 381 HZ2 -0.25 -0.02 -0.07 -0.04 7.44 7.06 3fewX1 TRP 381 HZ3 0.08 -0.05 -0.07 -0.04 7.13 7.05 3fewX1 TRP 381 HH2 0.04 -0.01 -0.19 -0.04 7.19 6.99 3fewX1 ARG 382 H 0.25 0.51 -0.15 -0.55 8.46 8.52 3fewX1 ARG 382 HA 0.16 -0.03 0.37 -0.75 4.34 4.10 3fewX1 ARG 382 HB2 0.13 0.02 0.09 -0.04 1.90 2.09 3fewX1 ARG 382 HB3 0.10 0.13 0.11 -0.04 1.80 2.10 3fewX1 ARG 382 HG2 0.07 -0.01 -0.04 -0.04 1.67 1.65 3fewX1 ARG 382 HG3 0.08 -0.05 0.05 -0.04 1.67 1.70 3fewX1 ARG 382 HD2 0.06 0.02 -0.01 -0.04 3.22 3.24 3fewX1 ARG 382 HD3 0.04 -0.04 -0.02 -0.04 3.22 3.16 3fewX1 SER 383 H 0.11 0.41 -0.30 -0.55 8.46 8.13 3fewX1 SER 383 HA 0.06 0.01 0.46 -0.75 4.49 4.27 3fewX1 SER 383 HB2 0.03 -0.10 0.08 -0.04 3.95 3.92 3fewX1 SER 383 HB3 0.04 -0.01 0.05 -0.04 3.93 3.97 3fewX1 ILE 384 H 0.15 0.34 -0.40 -0.55 8.25 7.79 3fewX1 ILE 384 HA 0.06 -0.02 0.58 -0.75 4.18 4.04 3fewX1 ILE 384 HB 0.21 0.18 0.19 -0.04 1.89 2.43 3fewX1 ILE 384 HG12 -0.01 -0.07 0.00 -0.04 1.49 1.37 3fewX1 ILE 384 HG13 -0.02 0.07 -0.02 -0.04 1.21 1.20 3fewX1 ILE 384 HG23 0.18 -0.05 -0.26 -0.04 0.93 0.76 3fewX1 ILE 384 HD13 -0.22 -0.01 -0.08 -0.04 0.88 0.53 3fewX1 ASP 385 H 0.06 0.15 0.20 -0.55 8.40 8.27 3fewX1 ASP 385 HA 0.08 0.16 0.77 -0.75 4.63 4.89 3fewX1 ASP 385 HB2 0.05 0.18 0.14 -0.04 2.71 3.03 3fewX1 ASP 385 HB3 0.05 -0.04 0.21 -0.04 2.70 2.87 3fewX1 ALA 386 H 0.09 0.26 0.17 -0.55 8.40 8.37 3fewX1 ALA 386 HA 0.14 0.12 0.30 -0.75 4.34 4.15 3fewX1 ALA 386 HB3 0.09 0.03 0.08 -0.04 1.41 1.58 3fewX1 GLN 387 H 0.06 0.13 -0.06 -0.55 8.47 8.06 3fewX1 GLN 387 HA 0.05 0.03 0.48 -0.75 4.36 4.18 3fewX1 GLN 387 HB2 0.04 0.01 0.11 -0.04 2.15 2.27 3fewX1 GLN 387 HB3 0.04 0.03 0.04 -0.04 2.02 2.09 3fewX1 GLN 387 HG2 0.03 0.05 -0.00 -0.04 2.40 2.44 3fewX1 GLN 387 HG3 0.03 0.04 -0.08 -0.04 2.39 2.33 3fewX1 GLN 387 HE21 0.04 -0.01 0.03 -0.04 6.97 6.99 3fewX1 GLN 387 HE22 0.04 0.02 0.05 -0.04 7.69 7.75 3fewX1 ASP 388 H 0.05 0.09 -0.29 -0.55 8.40 7.70 3fewX1 ASP 388 HA 0.03 0.07 0.38 -0.75 4.63 4.37 3fewX1 ASP 388 HB2 0.04 0.12 0.16 -0.04 2.71 2.99 3fewX1 ASP 388 HB3 0.03 0.06 -0.00 -0.04 2.70 2.75 3fewX1 MET 389 H 0.07 0.42 -0.14 -0.55 8.47 8.28 3fewX1 MET 389 HA 0.05 0.08 0.36 -0.75 4.52 4.26 3fewX1 MET 389 HB2 0.10 0.06 0.05 -0.04 2.15 2.32 3fewX1 MET 389 HB3 0.13 0.02 0.10 -0.04 2.03 2.24 3fewX1 MET 389 HG2 0.13 -0.05 -0.16 -0.04 2.63 2.52 3fewX1 MET 389 HG3 0.08 0.02 0.02 -0.04 2.56 2.64 3fewX1 MET 389 HE3 -0.02 0.00 -0.11 -0.04 2.10 1.93 3fewX1 ALA 390 H 0.08 0.49 -0.13 -0.55 8.40 8.30 3fewX1 ALA 390 HA 0.10 0.03 0.42 -0.75 4.34 4.13 3fewX1 ALA 390 HB3 0.08 -0.01 0.08 -0.04 1.41 1.52 3fewX1 ASN 391 H 0.05 0.47 -0.16 -0.55 8.53 8.35 3fewX1 ASN 391 HA 0.04 0.02 0.47 -0.75 4.76 4.53 3fewX1 ASN 391 HB2 0.03 0.14 0.12 -0.04 2.88 3.13 3fewX1 ASN 391 HB3 0.02 -0.01 0.03 -0.04 2.79 2.79 3fewX1 ASN 391 HD21 0.03 -0.07 -0.02 -0.04 7.03 6.92 3fewX1 ASN 391 HD22 0.02 -0.00 -0.02 -0.04 7.74 7.71 3fewX1 LYS 392 H 0.03 0.34 -0.28 -0.55 8.42 7.96 3fewX1 LYS 392 HA -0.00 0.05 0.57 -0.75 4.32 4.18 3fewX1 LYS 392 HB2 0.02 0.15 0.19 -0.04 1.87 2.19 3fewX1 LYS 392 HB3 -0.01 -0.02 -0.02 -0.04 1.79 1.70 3fewX1 LYS 392 HG2 0.01 -0.02 0.01 -0.04 1.46 1.41 3fewX1 LYS 392 HG3 0.00 -0.02 -0.01 -0.04 1.46 1.40 3fewX1 LYS 392 HD2 -0.01 -0.01 0.04 -0.04 1.69 1.67 3fewX1 LYS 392 HD3 -0.01 -0.03 -0.01 -0.04 1.68 1.60 3fewX1 LYS 392 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.92 3fewX1 LYS 392 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.91 3fewX1 LEU 393 H 0.03 0.44 -0.03 -0.55 8.37 8.27 3fewX1 LEU 393 HA -0.11 0.02 0.54 -0.75 4.35 4.06 3fewX1 LEU 393 HB2 0.12 0.17 0.23 -0.04 1.64 2.12 3fewX1 LEU 393 HB3 0.20 -0.07 0.07 -0.04 1.64 1.79 3fewX1 LEU 393 HG 0.09 0.15 0.01 -0.04 1.64 1.85 3fewX1 LEU 393 HD13 0.23 -0.04 -0.02 -0.04 0.93 1.05 3fewX1 LEU 393 HD23 0.02 0.00 -0.13 -0.04 0.89 0.74 3fewX1 GLY 394 H 0.05 0.51 -0.10 -0.55 8.43 8.34 3fewX1 GLY 394 HA2 0.07 0.05 0.25 -0.51 4.01 3.86 3fewX1 GLY 394 HA3 0.04 0.01 0.25 -0.51 4.01 3.80 3fewX1 ASN 395 H -0.02 0.31 -0.76 -0.55 8.53 7.51 3fewX1 ASN 395 HA -0.01 0.02 0.38 -0.75 4.76 4.39 3fewX1 ASN 395 HB2 -0.04 0.26 0.11 -0.04 2.88 3.17 3fewX1 ASN 395 HB3 -0.03 -0.08 0.06 -0.04 2.79 2.70 3fewX1 ASN 395 HD21 -0.01 -0.07 -0.01 -0.04 7.03 6.91 3fewX1 ASN 395 HD22 -0.02 -0.01 0.03 -0.04 7.74 7.69 3fewX1 ILE 396 H -0.14 0.60 -0.23 -0.55 8.25 7.93 3fewX1 ILE 396 HA -0.13 0.02 0.41 -0.75 4.18 3.73 3fewX1 ILE 396 HB -0.74 0.06 0.20 -0.04 1.89 1.37 3fewX1 ILE 396 HG12 -0.26 -0.05 0.02 -0.04 1.49 1.16 3fewX1 ILE 396 HG13 -0.25 0.08 0.10 -0.04 1.21 1.10 3fewX1 ILE 396 HG23 -0.41 -0.02 -0.11 -0.04 0.93 0.34 3fewX1 ILE 396 HD13 -0.56 -0.03 0.04 -0.04 0.88 0.30 3fewX1 SER 397 H 0.00 0.27 0.07 -0.55 8.46 8.26 3fewX1 SER 397 HA 0.05 0.16 0.39 -0.75 4.49 4.33 3fewX1 SER 397 HB2 0.10 -0.13 0.22 -0.04 3.95 4.10 3fewX1 SER 397 HB3 0.07 0.21 -0.03 -0.04 3.93 4.14 3fewX1 LYS 398 H 0.10 0.19 0.12 -0.55 8.42 8.28 3fewX1 LYS 398 HA 0.07 0.15 0.45 -0.75 4.32 4.24 3fewX1 LYS 398 HB2 0.20 -0.01 0.13 -0.04 1.87 2.15 3fewX1 LYS 398 HB3 0.25 0.01 -0.08 -0.04 1.79 1.93 3fewX1 LYS 398 HG2 0.10 0.02 0.04 -0.04 1.46 1.58 3fewX1 LYS 398 HG3 0.08 0.03 0.05 -0.04 1.46 1.58 3fewX1 LYS 398 HD2 0.08 0.01 0.02 -0.04 1.69 1.77 3fewX1 LYS 398 HD3 0.13 -0.01 0.03 -0.04 1.68 1.79 3fewX1 LYS 398 HE2 0.06 0.01 0.01 -0.04 2.99 3.03 3fewX1 LYS 398 HE3 0.07 0.00 0.01 -0.04 2.99 3.03 3fewX1 ALA 399 H -0.14 0.12 -0.32 -0.55 8.40 7.52 3fewX1 ALA 399 HA -0.58 0.05 0.30 -0.75 4.34 3.35 3fewX1 ALA 399 HB3 -1.07 0.04 -0.04 -0.04 1.41 0.29 3fewX1 PHE 400 H 0.10 0.47 -0.55 -0.55 8.34 7.81 3fewX1 PHE 400 HA -0.29 0.06 0.65 -0.75 4.62 4.29 3fewX1 PHE 400 HB2 -0.09 0.21 -0.01 -0.04 3.15 3.22 3fewX1 PHE 400 HB3 -0.06 -0.11 -0.08 -0.04 3.06 2.77 3fewX1 PHE 400 HD2 -0.09 -0.07 -0.05 -0.04 7.28 7.03 3fewX1 PHE 400 HE2 -0.04 0.15 -0.07 -0.04 7.38 7.39 3fewX1 PHE 400 HZ -0.02 0.01 -0.06 -0.04 7.32 7.20 3fewX1 LYS 401 H -0.15 0.39 -0.63 -0.55 8.42 7.47 3fewX1 LYS 401 HA 0.05 -0.07 0.26 -0.75 4.32 3.81 3fewX1 LYS 401 HB2 0.04 -0.05 0.12 -0.04 1.87 1.95 3fewX1 LYS 401 HB3 0.05 0.05 0.14 -0.04 1.79 1.99 3fewX1 LYS 401 HG2 0.04 0.07 -0.26 -0.04 1.46 1.28 3fewX1 LYS 401 HG3 0.03 0.18 0.10 -0.04 1.46 1.73 3fewX1 LYS 401 HD2 0.04 -0.02 -0.02 -0.04 1.69 1.66 3fewX1 LYS 401 HD3 0.04 -0.06 0.01 -0.04 1.68 1.63 3fewX1 LYS 401 HE2 0.04 -0.08 -0.00 -0.04 2.99 2.90 3fewX1 LYS 401 HE3 0.04 0.22 -0.01 -0.04 2.99 3.20 3fewX1 PHE 402 H -0.03 0.03 -0.01 -0.55 8.34 7.78 3fewX1 PHE 402 HA -0.00 0.10 0.31 -0.75 4.62 4.27 3fewX1 PHE 402 HB2 -0.05 -0.56 0.15 -0.04 3.15 2.65 3fewX1 PHE 402 HB3 -0.04 0.14 -0.02 -0.04 3.06 3.09 3fewX1 PHE 402 HD2 -0.08 -0.09 0.08 -0.04 7.28 7.15 3fewX1 PHE 402 HE2 -0.20 -0.01 0.03 -0.04 7.38 7.17 3fewX1 PHE 402 HZ -0.33 0.02 -0.01 -0.04 7.32 6.97 3fewX1 ALA 403 H 0.10 0.14 -0.04 -0.55 8.40 8.05 3fewX1 ALA 403 HA 0.20 -0.20 -0.24 -0.75 4.34 3.34 3fewX1 ALA 403 HB3 0.07 0.06 -0.11 -0.04 1.41 1.40 3fewX1 ASP 404 H 0.37 0.03 0.09 -0.55 8.40 8.34 3fewX1 ASP 404 HA -0.07 0.20 0.66 -0.75 4.63 4.67 3fewX1 ASP 404 HB2 -0.50 -0.02 0.22 -0.04 2.71 2.36 3fewX1 ASP 404 HB3 -0.26 -0.16 0.05 -0.04 2.70 2.29 3fewX1 VAL 405 H 0.06 -0.21 0.17 -0.55 8.24 7.70 3fewX1 VAL 405 HA -0.03 0.07 0.31 -0.75 4.13 3.73 3fewX1 VAL 405 HB 0.46 -0.19 0.06 -0.04 2.12 2.40 3fewX1 VAL 405 HG13 0.11 0.11 -0.13 -0.04 0.97 1.02 3fewX1 VAL 405 HG23 0.25 0.05 0.01 -0.04 0.95 1.22 3fewX1 VAL 406 H 0.03 -0.17 0.45 -0.55 8.24 8.00 3fewX1 VAL 406 HA 0.06 0.14 0.47 -0.75 4.13 4.05 3fewX1 VAL 406 HB 0.02 0.08 0.01 -0.04 2.12 2.20 3fewX1 VAL 406 HG13 0.05 0.03 -0.14 -0.04 0.97 0.86 3fewX1 VAL 406 HG23 0.04 0.03 0.19 -0.04 0.95 1.17 3fewX1 MET 407 H -0.03 0.14 -0.37 -0.55 8.47 7.66 3fewX1 MET 407 HA 0.00 0.09 0.30 -0.75 4.52 4.16 3fewX1 MET 407 HB2 -0.12 -0.04 -0.05 -0.04 2.15 1.90 3fewX1 MET 407 HB3 -0.05 0.08 -0.07 -0.04 2.03 1.96 3fewX1 MET 407 HG2 -0.02 0.03 -0.02 -0.04 2.63 2.59 3fewX1 MET 407 HG3 -0.03 -0.03 -0.05 -0.04 2.56 2.41 3fewX1 MET 407 HE3 -0.03 0.01 -0.03 -0.04 2.10 2.00 3fewX1 LYS 408 H -0.13 0.13 -0.38 -0.55 8.42 7.49 3fewX1 LYS 408 HA 0.06 0.11 0.48 -0.75 4.32 4.21 3fewX1 LYS 408 HB2 -0.28 0.13 0.09 -0.04 1.87 1.76 3fewX1 LYS 408 HB3 -0.76 0.04 -0.01 -0.04 1.79 1.02 3fewX1 LYS 408 HG2 -0.83 0.04 -0.04 -0.04 1.46 0.59 3fewX1 LYS 408 HG3 -0.59 -0.12 0.01 -0.04 1.46 0.73 3fewX1 LYS 408 HD2 -0.80 0.02 0.01 -0.04 1.69 0.87 3fewX1 LYS 408 HD3 -2.73 0.03 -0.01 -0.04 1.68 -1.07 3fewX1 LYS 408 HE2 -1.29 -0.07 0.01 -0.04 2.99 1.60 3fewX1 LYS 408 HE3 -0.74 0.02 -0.01 -0.04 2.99 2.21 3fewX1 VAL 409 H 0.05 0.33 -0.10 -0.55 8.24 7.97 3fewX1 VAL 409 HA 0.21 0.08 0.49 -0.75 4.13 4.15 3fewX1 VAL 409 HB 0.11 0.04 0.22 -0.04 2.12 2.45 3fewX1 VAL 409 HG13 0.21 0.01 -0.08 -0.04 0.97 1.06 3fewX1 VAL 409 HG23 0.15 0.02 0.01 -0.04 0.95 1.09 3fewX1 GLU 410 H 0.08 0.73 -0.02 -0.55 8.60 8.85 3fewX1 GLU 410 HA 0.08 0.03 0.36 -0.75 4.29 4.00 3fewX1 LYS 411 H 0.10 0.35 -0.41 -0.55 8.42 7.90 3fewX1 LYS 411 HA 0.02 0.04 0.52 -0.75 4.32 4.15 3fewX1 LYS 411 HB2 0.23 0.11 0.10 -0.04 1.87 2.27 3fewX1 LYS 411 HB3 0.10 -0.04 -0.01 -0.04 1.79 1.80 3fewX1 LYS 411 HG2 0.07 0.07 0.04 -0.04 1.46 1.60 3fewX1 LYS 411 HG3 0.13 -0.02 -0.00 -0.04 1.46 1.53 3fewX1 LYS 411 HD2 0.04 -0.01 -0.02 -0.04 1.69 1.66 3fewX1 LYS 411 HD3 0.02 -0.03 -0.02 -0.04 1.68 1.61 3fewX1 LYS 411 HE2 0.02 -0.01 -0.04 -0.04 2.99 2.92 3fewX1 LYS 411 HE3 0.03 0.00 -0.03 -0.04 2.99 2.95 3fewX1 VAL 412 H 0.15 0.48 -0.11 -0.55 8.24 8.21 3fewX1 VAL 412 HA 0.00 0.01 0.52 -0.75 4.13 3.90 3fewX1 VAL 412 HB 0.17 0.08 0.19 -0.04 2.12 2.51 3fewX1 VAL 412 HG13 0.01 -0.01 -0.10 -0.04 0.97 0.82 3fewX1 VAL 412 HG23 0.47 0.05 0.04 -0.04 0.95 1.46 3fewX1 ARG 413 H -0.08 0.76 -0.08 -0.55 8.46 8.51 3fewX1 ARG 413 HA -1.21 0.02 0.42 -0.75 4.34 2.82 3fewX1 ARG 413 HB2 0.21 -0.01 0.06 -0.04 1.90 2.12 3fewX1 ARG 413 HB3 0.03 0.11 0.17 -0.04 1.80 2.07 3fewX1 ARG 413 HG2 0.08 -0.06 -0.25 -0.04 1.67 1.41 3fewX1 ARG 413 HG3 0.46 0.02 -0.02 -0.04 1.67 2.09 3fewX1 ARG 413 HD2 0.29 -0.01 -0.03 -0.04 3.22 3.43 3fewX1 ARG 413 HD3 0.14 -0.16 0.03 -0.04 3.22 3.19 3fewX1 GLU 414 H -0.10 0.53 -0.10 -0.55 8.60 8.38 3fewX1 GLU 414 HA -0.10 0.04 0.27 -0.75 4.29 3.75 3fewX1 GLU 414 HB2 -0.04 -0.05 0.10 -0.04 2.09 2.06 3fewX1 GLU 414 HB3 -0.03 0.08 0.13 -0.04 1.99 2.13 3fewX1 GLU 414 HG2 -0.03 0.05 0.16 -0.04 2.34 2.47 3fewX1 GLU 414 HG3 -0.06 0.01 -0.20 -0.04 2.34 2.05 3fewX1 LYS 415 H -0.19 0.49 -0.33 -0.55 8.42 7.83 3fewX1 LYS 415 HA -0.16 0.08 0.72 -0.75 4.32 4.21 3fewX1 LYS 415 HB2 -0.09 0.12 0.04 -0.04 1.87 1.90 3fewX1 LYS 415 HB3 -0.09 -0.16 -0.13 -0.04 1.79 1.37 3fewX1 LYS 415 HG2 -0.06 0.19 0.01 -0.04 1.46 1.55 3fewX1 LYS 415 HG3 -0.06 0.03 -0.15 -0.04 1.46 1.23 3fewX1 LYS 415 HD2 -0.08 -0.09 -0.09 -0.04 1.69 1.38 3fewX1 LYS 415 HD3 -0.09 0.03 -0.26 -0.04 1.68 1.32 3fewX1 LYS 415 HE2 -0.05 -0.01 -0.06 -0.04 2.99 2.83 3fewX1 LYS 415 HE3 -0.04 0.00 -0.07 -0.04 2.99 2.84 3fewX1 SER 416 H -0.43 0.60 -0.06 -0.55 8.46 8.03 3fewX1 SER 416 HA -0.21 0.01 0.65 -0.75 4.49 4.19 3fewX1 SER 416 HB2 -1.58 0.15 0.16 -0.04 3.95 2.64 3fewX1 SER 416 HB3 -0.39 -0.06 0.01 -0.04 3.93 3.45 3fewX1 ILE 417 H -0.35 0.56 -0.09 -0.55 8.25 7.81 3fewX1 ILE 417 HA 0.08 0.00 0.44 -0.75 4.18 3.96 3fewX1 ILE 417 HB -0.09 0.10 0.11 -0.04 1.89 1.97 3fewX1 ILE 417 HG12 0.15 0.03 0.04 -0.04 1.49 1.67 3fewX1 ILE 417 HG13 0.00 0.07 0.05 -0.04 1.21 1.29 3fewX1 ILE 417 HG23 0.01 -0.01 -0.13 -0.04 0.93 0.75 3fewX1 ILE 417 HD13 0.08 -0.01 -0.18 -0.04 0.88 0.72 3fewX1 GLU 418 H -0.19 0.37 -0.28 -0.55 8.60 7.95 3fewX1 GLU 418 HA -0.16 -0.00 0.35 -0.75 4.29 3.73 3fewX1 GLU 418 HB2 -0.15 0.09 0.17 -0.04 2.09 2.16 3fewX1 GLU 418 HB3 -0.24 0.13 0.15 -0.04 1.99 2.00 3fewX1 GLU 418 HG2 -0.21 0.09 -0.10 -0.04 2.34 2.07 3fewX1 GLU 418 HG3 -0.15 -0.05 0.05 -0.04 2.34 2.15 3fewX1 GLY 419 H -0.62 0.46 -0.30 -0.55 8.43 7.42 3fewX1 GLY 419 HA2 -1.41 0.03 0.14 -0.51 4.01 2.25 3fewX1 GLY 419 HA3 -2.71 0.02 0.22 -0.51 4.01 1.03 3fewX1 TYR 420 H -0.44 0.79 -0.06 -0.55 8.29 8.02 3fewX1 TYR 420 HA 0.21 0.00 0.33 -0.75 4.56 4.35 3fewX1 TYR 420 HB2 0.07 0.07 0.11 -0.04 3.06 3.28 3fewX1 TYR 420 HB3 0.18 0.05 -0.06 -0.04 2.98 3.11 3fewX1 TYR 420 HD2 0.43 -0.00 -0.14 -0.04 7.15 7.40 3fewX1 TYR 420 HE2 0.40 -0.01 -0.11 -0.04 6.85 7.09 3fewX1 GLU 421 H -0.05 0.66 -0.15 -0.55 8.60 8.52 3fewX1 GLU 421 HA 0.03 0.01 0.47 -0.75 4.29 4.04 3fewX1 GLU 421 HB2 -0.06 0.09 0.08 -0.04 2.09 2.16 3fewX1 GLU 421 HB3 -0.03 -0.05 -0.04 -0.04 1.99 1.83 3fewX1 GLU 421 HG2 0.02 -0.05 0.02 -0.04 2.34 2.29 3fewX1 GLU 421 HG3 0.05 0.00 0.00 -0.04 2.34 2.35 3fewX1 THR 422 H -0.19 0.52 -0.09 -0.55 8.28 7.97 3fewX1 THR 422 HA -0.08 0.20 0.87 -0.75 4.39 4.63 3fewX1 THR 422 HB -0.09 -0.05 0.13 -0.04 4.32 4.28 3fewX1 THR 422 HG23 -0.09 0.00 -0.06 -0.04 1.22 1.03 3fewX1 GLY 423 H -0.20 0.51 -0.04 -0.55 8.43 8.14 3fewX1 GLY 423 HA2 -0.02 0.07 0.34 -0.51 4.01 3.89 3fewX1 GLY 423 HA3 -0.03 0.07 0.55 -0.51 4.01 4.08 3fewX1 ASN 424 H -0.27 0.12 -0.53 -0.55 8.53 7.30 3fewX1 ASN 424 HA -0.04 0.08 0.74 -0.75 4.76 4.79 3fewX1 ASN 424 HB2 -0.07 0.11 0.00 -0.04 2.88 2.88 3fewX1 ASN 424 HB3 -0.15 0.02 0.07 -0.04 2.79 2.70 3fewX1 ASN 424 HD21 -0.02 -0.04 -0.03 -0.04 7.03 6.90 3fewX1 ASN 424 HD22 -0.06 0.06 -0.01 -0.04 7.74 7.68 3fewX1 TRP 425 H 0.20 0.26 0.14 -0.55 7.97 8.02 3fewX1 TRP 425 HA -0.04 0.19 0.68 -0.75 4.62 4.69 3fewX1 TRP 425 HB2 -0.00 0.04 0.03 -0.04 3.23 3.26 3fewX1 TRP 425 HB3 -0.02 -0.04 0.06 -0.04 3.23 3.19 3fewX1 TRP 425 HD1 0.05 0.15 -0.04 -0.04 7.22 7.34 3fewX1 TRP 425 HE1 0.17 0.08 -0.10 -0.04 10.20 10.30 3fewX1 TRP 425 HE3 -0.10 -0.08 0.00 -0.04 7.59 7.37 3fewX1 TRP 425 HZ2 -0.19 0.05 -0.22 -0.04 7.44 7.03 3fewX1 TRP 425 HZ3 -0.34 -0.03 0.03 -0.04 7.13 6.75 3fewX1 TRP 425 HH2 -1.71 0.02 -0.07 -0.04 7.19 5.39 3fewX1 GLY 426 H 0.10 0.10 -0.10 -0.55 8.43 7.99 3fewX1 GLY 426 HA2 0.18 0.02 0.37 -0.51 4.01 4.07 3fewX1 GLY 426 HA3 0.13 0.10 0.25 -0.51 4.01 3.98 3fewX1 PRO 427 HA -0.05 0.02 0.36 -0.51 4.44 4.27 3fewX1 PRO 427 HB2 -0.08 0.09 -0.03 -0.04 2.28 2.21 3fewX1 PRO 427 HB3 -0.07 0.04 0.03 -0.04 2.02 1.98 3fewX1 PRO 427 HG2 -0.09 0.13 -0.02 -0.04 2.03 2.01 3fewX1 PRO 427 HG3 -0.05 0.03 0.00 -0.04 2.03 1.97 3fewX1 PRO 427 HD2 -0.05 0.22 -0.36 -0.04 3.68 3.46 3fewX1 PRO 427 HD3 0.00 0.06 -0.01 -0.04 3.65 3.66 3fewX1 LEU 428 H 0.04 0.31 -0.43 -0.55 8.37 7.74 3fewX1 LEU 428 HA -0.03 0.05 0.37 -0.75 4.35 3.99 3fewX1 LEU 428 HB2 0.12 0.04 -0.07 -0.04 1.64 1.70 3fewX1 LEU 428 HB3 0.26 0.16 0.10 -0.04 1.64 2.12 3fewX1 LEU 428 HG 0.21 -0.03 -0.24 -0.04 1.64 1.55 3fewX1 LEU 428 HD13 0.11 -0.01 0.00 -0.04 0.93 0.99 3fewX1 LEU 428 HD23 0.34 0.00 -0.06 -0.04 0.89 1.13 3fewX1 MET 429 H 0.09 0.45 -0.02 -0.55 8.47 8.44 3fewX1 MET 429 HA -0.19 0.07 0.48 -0.75 4.52 4.12 3fewX1 MET 429 HB2 0.16 0.06 0.10 -0.04 2.15 2.43 3fewX1 MET 429 HB3 0.02 -0.05 0.01 -0.04 2.03 1.97 3fewX1 MET 429 HG2 0.10 0.12 -0.02 -0.04 2.63 2.79 3fewX1 MET 429 HG3 -0.00 -0.02 -0.09 -0.04 2.56 2.41 3fewX1 MET 429 HE3 -0.05 0.05 -0.06 -0.04 2.10 2.00 3fewX1 LEU 430 H 0.06 0.68 -0.05 -0.55 8.37 8.52 3fewX1 LEU 430 HA -0.30 -0.04 0.45 -0.75 4.35 3.71 3fewX1 LEU 430 HB2 -0.16 0.13 0.04 -0.04 1.64 1.60 3fewX1 LEU 430 HB3 -0.19 0.08 -0.07 -0.04 1.64 1.42 3fewX1 LEU 430 HG -1.00 -0.05 0.00 -0.04 1.64 0.55 3fewX1 LEU 430 HD13 -0.22 0.00 -0.07 -0.04 0.93 0.60 3fewX1 LEU 430 HD23 -0.30 -0.01 0.00 -0.04 0.89 0.54 3fewX1 GLU 431 H -0.21 0.40 -0.46 -0.55 8.60 7.79 3fewX1 GLU 431 HA -0.22 0.02 0.34 -0.75 4.29 3.67 3fewX1 GLU 431 HB2 -0.12 0.05 0.08 -0.04 2.09 2.06 3fewX1 GLU 431 HB3 -0.26 0.22 0.13 -0.04 1.99 2.05 3fewX1 GLU 431 HG2 0.06 -0.01 -0.12 -0.04 2.34 2.23 3fewX1 GLU 431 HG3 -0.34 -0.03 -0.26 -0.04 2.34 1.67 3fewX1 VAL 432 H -0.65 0.35 -0.16 -0.55 8.24 7.23 3fewX1 VAL 432 HA -1.91 0.03 0.52 -0.75 4.13 2.02 3fewX1 VAL 432 HB -0.65 0.11 0.07 -0.04 2.12 1.60 3fewX1 VAL 432 HG13 -0.56 -0.01 -0.08 -0.04 0.97 0.28 3fewX1 VAL 432 HG23 -1.53 0.05 0.04 -0.04 0.95 -0.53 3fewX1 GLU 433 H -0.31 0.47 -0.15 -0.55 8.60 8.07 3fewX1 GLU 433 HA -0.13 0.04 0.50 -0.75 4.29 3.95 3fewX1 GLU 433 HB2 -0.07 0.00 0.16 -0.04 2.09 2.14 3fewX1 GLU 433 HB3 -0.18 0.18 0.17 -0.04 1.99 2.12 3fewX1 GLU 433 HG2 -0.07 -0.01 -0.03 -0.04 2.34 2.18 3fewX1 GLU 433 HG3 -0.03 -0.07 0.09 -0.04 2.34 2.29 3fewX1 SER 434 H -0.25 0.47 -0.29 -0.55 8.46 7.84 3fewX1 SER 434 HA -0.05 -0.02 0.20 -0.75 4.49 3.87 3fewX1 SER 434 HB2 -0.02 -0.05 0.05 -0.04 3.95 3.90 3fewX1 SER 434 HB3 -0.11 0.07 0.09 -0.04 3.93 3.95 3fewX1 TRP 435 H -0.13 0.34 -0.32 -0.55 7.97 7.31 3fewX1 TRP 435 HA -0.07 0.03 0.51 -0.75 4.62 4.33 3fewX1 TRP 435 HB2 -0.05 0.13 0.14 -0.04 3.23 3.40 3fewX1 TRP 435 HB3 -0.04 -0.09 0.03 -0.04 3.23 3.09 3fewX1 TRP 435 HD1 -0.07 -0.06 -0.07 -0.04 7.22 6.97 3fewX1 TRP 435 HE1 -0.04 -0.05 -0.06 -0.04 10.20 10.01 3fewX1 TRP 435 HE3 -0.01 -0.04 0.07 -0.04 7.59 7.56 3fewX1 TRP 435 HZ2 0.04 0.07 -0.02 -0.04 7.44 7.49 3fewX1 TRP 435 HZ3 0.13 0.07 0.05 -0.04 7.13 7.34 3fewX1 TRP 435 HH2 0.20 0.02 -0.12 -0.04 7.19 7.25 3fewX1 VAL 436 H 0.08 0.40 -0.13 -0.55 8.24 8.04 3fewX1 VAL 436 HA 0.05 0.23 0.43 -0.75 4.13 4.08 3fewX1 VAL 436 HB -0.01 0.10 0.19 -0.04 2.12 2.37 3fewX1 VAL 436 HG13 -0.02 -0.00 -0.08 -0.04 0.97 0.83 3fewX1 VAL 436 HG23 0.05 0.01 -0.04 -0.04 0.95 0.93 3fewX1 LEU 437 H -0.01 0.52 -0.01 -0.55 8.37 8.33 3fewX1 LEU 437 HA -0.03 0.03 0.48 -0.75 4.35 4.08 3fewX1 LEU 437 HB2 -0.02 0.06 0.05 -0.04 1.64 1.68 3fewX1 LEU 437 HB3 -0.03 -0.03 0.02 -0.04 1.64 1.56 3fewX1 LEU 437 HG -0.04 0.08 -0.00 -0.04 1.64 1.63 3fewX1 LEU 437 HD13 -0.06 -0.03 -0.06 -0.04 0.93 0.75 3fewX1 LEU 437 HD23 -0.04 -0.01 0.01 -0.04 0.89 0.81 3fewX1 SER 438 H 0.03 0.32 -0.55 -0.55 8.46 7.72 3fewX1 SER 438 HA -0.01 0.05 0.62 -0.75 4.49 4.39 3fewX1 SER 438 HB2 0.05 0.18 0.24 -0.04 3.95 4.38 3fewX1 SER 438 HB3 -0.01 -0.08 0.08 -0.04 3.93 3.88 3fewX1 GLY 439 H -0.00 0.40 -0.22 -0.55 8.43 8.06 3fewX1 GLY 439 HA2 -0.04 0.05 0.24 -0.51 4.01 3.75 3fewX1 GLY 439 HA3 -0.02 0.13 0.78 -0.51 4.01 4.39 3fewX1 ILE 440 H 0.02 0.35 0.02 -0.55 8.25 8.10 3fewX1 ILE 440 HA 0.06 -0.06 0.59 -0.75 4.18 4.02 3fewX1 ILE 440 HB 0.13 -0.00 -0.26 -0.04 1.89 1.73 3fewX1 ILE 440 HG12 -0.02 0.09 -0.01 -0.04 1.49 1.51 3fewX1 ILE 440 HG13 -0.06 -0.07 0.02 -0.04 1.21 1.05 3fewX1 ILE 440 HG23 0.14 0.01 -0.17 -0.04 0.93 0.86 3fewX1 ILE 440 HD13 -0.05 -0.02 -0.02 -0.04 0.88 0.75 3fewX1 ALA 441 H 0.05 0.06 0.09 -0.55 8.40 8.05 3fewX1 ALA 441 HA -0.14 0.17 0.47 -0.75 4.34 4.09 3fewX1 ALA 441 HB3 0.08 0.02 0.07 -0.04 1.41 1.54 3fewX1 SER 442 H -0.05 0.26 0.19 -0.55 8.46 8.31 3fewX1 SER 442 HA 0.07 0.04 0.44 -0.75 4.49 4.29 3fewX1 SER 442 HB2 0.10 0.14 0.24 -0.04 3.95 4.40 3fewX1 SER 442 HB3 0.36 0.09 0.03 -0.04 3.93 4.36 3fewX1 ALA 443 H 0.15 0.18 -0.20 -0.55 8.40 7.99 3fewX1 ALA 443 HA 0.07 0.10 0.30 -0.75 4.34 4.06 3fewX1 ALA 443 HB3 0.20 0.05 0.02 -0.04 1.41 1.64 3fewX1 VAL 444 H 0.08 0.17 -0.25 -0.55 8.24 7.69 3fewX1 VAL 444 HA -0.11 0.07 0.45 -0.75 4.13 3.78 3fewX1 VAL 444 HB 0.05 0.07 0.10 -0.04 2.12 2.30 3fewX1 VAL 444 HG13 -0.11 -0.00 -0.09 -0.04 0.97 0.73 3fewX1 VAL 444 HG23 -0.06 0.00 0.03 -0.04 0.95 0.88 3fewX1 ALA 445 H 0.11 0.58 -0.19 -0.55 8.40 8.36 3fewX1 ALA 445 HA 0.44 -0.02 0.39 -0.75 4.34 4.40 3fewX1 ALA 445 HB3 0.23 0.04 0.03 -0.04 1.41 1.67 3fewX1 LEU 446 H 0.06 0.69 -0.05 -0.55 8.37 8.53 3fewX1 LEU 446 HA 0.13 -0.02 0.43 -0.75 4.35 4.14 3fewX1 LEU 446 HB2 -0.17 0.05 0.09 -0.04 1.64 1.57 3fewX1 LEU 446 HB3 -0.13 0.14 0.08 -0.04 1.64 1.70 3fewX1 LEU 446 HG -0.09 -0.05 -0.12 -0.04 1.64 1.34 3fewX1 LEU 446 HD13 -0.06 -0.02 -0.01 -0.04 0.93 0.80 3fewX1 LEU 446 HD23 -0.69 0.01 -0.07 -0.04 0.89 0.09 3fewX1 GLY 447 H 0.06 0.44 -0.34 -0.55 8.43 8.05 3fewX1 GLY 447 HA2 0.15 -0.00 0.39 -0.51 4.01 4.04 3fewX1 GLY 447 HA3 0.07 0.08 0.30 -0.51 4.01 3.95 3fewX1 VAL 448 H 0.12 0.64 -0.07 -0.55 8.24 8.38 3fewX1 VAL 448 HA 0.34 0.04 0.48 -0.75 4.13 4.23 3fewX1 VAL 448 HB 0.12 0.08 0.15 -0.04 2.12 2.43 3fewX1 VAL 448 HG13 0.04 -0.03 -0.10 -0.04 0.97 0.84 3fewX1 VAL 448 HG23 -0.25 0.02 0.03 -0.04 0.95 0.70 3fewX1 PHE 449 H 0.56 0.68 -0.04 -0.55 8.34 8.99 3fewX1 PHE 449 HA 0.33 -0.02 0.46 -0.75 4.62 4.64 3fewX1 PHE 449 HB2 0.22 0.11 0.13 -0.04 3.15 3.57 3fewX1 PHE 449 HB3 0.10 0.04 0.16 -0.04 3.06 3.32 3fewX1 PHE 449 HD2 0.04 0.00 -0.02 -0.04 7.28 7.26 3fewX1 PHE 449 HE2 -0.05 0.03 -0.19 -0.04 7.38 7.13 3fewX1 PHE 449 HZ -0.05 -0.02 -0.12 -0.04 7.32 7.08 3fewX1 SER 450 H 0.23 0.66 -0.04 -0.55 8.46 8.76 3fewX1 SER 450 HA -0.09 -0.03 0.42 -0.75 4.49 4.05 3fewX1 SER 450 HB2 0.10 0.15 0.19 -0.04 3.95 4.35 3fewX1 SER 450 HB3 0.03 -0.03 -0.03 -0.04 3.93 3.86 3fewX1 ALA 451 H 0.20 0.53 -0.23 -0.55 8.40 8.35 3fewX1 ALA 451 HA 0.04 0.00 0.28 -0.75 4.34 3.91 3fewX1 ALA 451 HB3 0.10 0.01 0.09 -0.04 1.41 1.58 3fewX1 THR 452 H 0.19 0.53 -0.24 -0.55 8.28 8.21 3fewX1 THR 452 HA 0.18 0.04 0.56 -0.75 4.39 4.41 3fewX1 THR 452 HB 0.27 0.06 0.16 -0.04 4.32 4.77 3fewX1 THR 452 HG23 0.37 -0.03 -0.06 -0.04 1.22 1.45 3fewX1 LEU 453 H 0.06 0.57 0.01 -0.55 8.37 8.47 3fewX1 LEU 453 HA 0.26 -0.01 0.46 -0.75 4.35 4.31 3fewX1 LEU 453 HB2 -0.18 0.23 0.18 -0.04 1.64 1.83 3fewX1 LEU 453 HB3 -0.05 -0.04 -0.05 -0.04 1.64 1.47 3fewX1 LEU 453 HG -0.06 -0.04 0.01 -0.04 1.64 1.50 3fewX1 LEU 453 HD13 0.07 0.00 -0.01 -0.04 0.93 0.95 3fewX1 LEU 453 HD23 -0.92 0.01 -0.07 -0.04 0.89 -0.13 3fewX1 GLY 454 H 0.04 0.71 -0.17 -0.55 8.43 8.46 3fewX1 GLY 454 HA2 0.03 -0.03 0.36 -0.51 4.01 3.86 3fewX1 GLY 454 HA3 0.02 0.09 0.23 -0.51 4.01 3.83 3fewX1 ALA 455 H 0.05 0.54 -0.20 -0.55 8.40 8.24 3fewX1 ALA 455 HA -0.01 0.00 0.32 -0.75 4.34 3.90 3fewX1 ALA 455 HB3 0.03 0.03 0.11 -0.04 1.41 1.54 3fewX1 TYR 456 H 0.11 0.40 -0.34 -0.55 8.29 7.91 3fewX1 TYR 456 HA -0.33 0.04 0.51 -0.75 4.56 4.03 3fewX1 TYR 456 HB2 -0.70 -0.02 0.06 -0.04 3.06 2.36 3fewX1 TYR 456 HB3 -0.12 0.18 0.17 -0.04 2.98 3.18 3fewX1 TYR 456 HD2 -0.73 0.02 -0.10 -0.04 7.15 6.31 3fewX1 TYR 456 HE2 -0.39 -0.06 -0.12 -0.04 6.85 6.24 3fewX1 ALA 457 H 0.09 0.56 -0.01 -0.55 8.40 8.49 3fewX1 ALA 457 HA -0.16 -0.04 0.34 -0.75 4.34 3.73 3fewX1 ALA 457 HB3 0.03 0.00 0.07 -0.04 1.41 1.48 3fewX1 LEU 458 H -0.07 0.47 -0.31 -0.55 8.37 7.91 3fewX1 LEU 458 HA -0.06 0.09 0.58 -0.75 4.35 4.21 3fewX1 LEU 458 HB2 -0.04 0.10 0.02 -0.04 1.64 1.68 3fewX1 LEU 458 HB3 -0.05 -0.02 -0.03 -0.04 1.64 1.50 3fewX1 LEU 458 HG -0.02 -0.02 -0.02 -0.04 1.64 1.53 3fewX1 LEU 458 HD13 -0.01 -0.00 -0.20 -0.04 0.93 0.68 3fewX1 LEU 458 HD23 -0.02 -0.01 -0.10 -0.04 0.89 0.72 3fewX1 SER 459 H -0.18 0.35 -0.30 -0.55 8.46 7.78 3fewX1 SER 459 HA -0.11 0.05 0.62 -0.75 4.49 4.30 3fewX1 SER 459 HB2 -0.15 -0.10 0.13 -0.04 3.95 3.79 3fewX1 SER 459 HB3 -0.13 0.05 0.14 -0.04 3.93 3.94 3fewX1 LEU 460 H -0.24 0.22 -0.44 -0.55 8.37 7.37 3fewX1 LEU 460 HA -0.22 0.26 0.63 -0.75 4.35 4.27 3fewX1 LEU 460 HB2 -0.28 0.20 0.09 -0.04 1.64 1.61 3fewX1 LEU 460 HB3 -0.21 -0.17 -0.12 -0.04 1.64 1.10 3fewX1 LEU 460 HG -0.26 -0.12 -0.20 -0.04 1.64 1.02 3fewX1 LEU 460 HD13 -0.61 0.10 -0.09 -0.04 0.93 0.29 3fewX1 LEU 460 HD23 -0.32 -0.04 -0.09 -0.04 0.89 0.40 3fewX1 GLY 461 H -0.09 -0.01 0.07 -0.55 8.43 7.87 3fewX1 GLY 461 HA2 -0.08 0.01 0.33 -0.51 4.01 3.77 3fewX1 GLY 461 HA3 -0.12 0.39 0.51 -0.51 4.01 4.28 3fewX1 ALA 462 H -0.11 0.07 0.00 -0.55 8.40 7.82 3fewX1 ALA 462 HA -0.11 0.01 0.25 -0.75 4.34 3.73 3fewX1 ALA 462 HB3 -0.06 0.05 0.13 -0.04 1.41 1.49 3fewX1 PRO 463 HA -0.08 0.13 0.32 -0.51 4.44 4.29 3fewX1 PRO 463 HB2 -0.16 -0.34 0.29 -0.04 2.28 2.02 3fewX1 PRO 463 HB3 -0.10 0.04 0.15 -0.04 2.02 2.07 3fewX1 PRO 463 HG2 -0.16 0.03 -0.08 -0.04 2.03 1.78 3fewX1 PRO 463 HG3 -0.13 0.16 0.01 -0.04 2.03 2.04 3fewX1 PRO 463 HD2 -0.20 0.17 -0.03 -0.04 3.68 3.58 3fewX1 PRO 463 HD3 -0.16 0.20 -0.20 -0.04 3.65 3.45 3fewX1 ALA 464 H -0.10 0.20 0.02 -0.55 8.40 7.97 3fewX1 ALA 464 HA -0.23 -0.11 0.36 -0.75 4.34 3.60 3fewX1 ALA 464 HB3 -0.32 0.07 -0.06 -0.04 1.41 1.05 3fewX1 ILE 465 H -0.12 0.02 0.12 -0.55 8.25 7.72 3fewX1 ILE 465 HA -0.15 0.29 0.51 -0.75 4.18 4.07 3fewX1 ILE 465 HB -0.03 0.12 0.21 -0.04 1.89 2.16 3fewX1 ILE 465 HG12 -0.02 0.01 -0.03 -0.04 1.49 1.42 3fewX1 ILE 465 HG13 -0.03 -0.06 -0.47 -0.04 1.21 0.61 3fewX1 ILE 465 HG23 -0.03 0.03 -0.03 -0.04 0.93 0.87 3fewX1 ILE 465 HD13 0.01 0.02 0.01 -0.04 0.88 0.88 3fewX1 ALA 466 H -0.11 -0.08 0.19 -0.55 8.40 7.86 3fewX1 ALA 466 HA -0.06 0.16 0.67 -0.75 4.34 4.35 3fewX1 ALA 466 HB3 -0.07 0.04 0.10 -0.04 1.41 1.44 3fewX1 VAL 467 H -0.20 -0.01 -0.21 -0.55 8.24 7.27 3fewX1 VAL 467 HA -0.14 0.13 0.43 -0.75 4.13 3.81 3fewX1 VAL 467 HB -0.40 0.04 -0.12 -0.04 2.12 1.60 3fewX1 VAL 467 HG13 -0.11 0.05 -0.15 -0.04 0.97 0.72 3fewX1 VAL 467 HG23 -0.32 -0.01 -0.05 -0.04 0.95 0.52 3fewX1 GLY 468 H -0.13 0.12 -0.44 -0.55 8.43 7.42 3fewX1 GLY 468 HA2 -0.15 0.07 0.34 -0.51 4.01 3.76 3fewX1 GLY 468 HA3 -0.07 0.19 0.23 -0.51 4.01 3.86 3fewX1 ILE 469 H -0.06 0.14 -0.38 -0.55 8.25 7.39 3fewX1 ILE 469 HA 0.10 0.11 0.43 -0.75 4.18 4.06 3fewX1 ILE 469 HB -0.12 0.07 0.20 -0.04 1.89 2.00 3fewX1 ILE 469 HG12 -0.29 0.01 -0.02 -0.04 1.49 1.15 3fewX1 ILE 469 HG13 0.01 0.06 -0.00 -0.04 1.21 1.24 3fewX1 ILE 469 HG23 -0.61 -0.01 -0.16 -0.04 0.93 0.11 3fewX1 ILE 469 HD13 0.01 -0.01 0.05 -0.04 0.88 0.89 3fewX1 VAL 470 H -0.03 0.51 -0.09 -0.55 8.24 8.08 3fewX1 VAL 470 HA 0.10 0.03 0.46 -0.75 4.13 3.96 3fewX1 VAL 470 HB 0.28 -0.03 0.05 -0.04 2.12 2.38 3fewX1 VAL 470 HG13 0.14 0.08 0.01 -0.04 0.97 1.15 3fewX1 VAL 470 HG23 0.03 0.04 -0.08 -0.04 0.95 0.90 3fewX1 GLY 471 H -0.06 0.56 -0.24 -0.55 8.43 8.13 3fewX1 GLY 471 HA2 0.02 -0.01 0.39 -0.51 4.01 3.90 3fewX1 GLY 471 HA3 -0.24 0.10 0.24 -0.51 4.01 3.60 3fewX1 ILE 472 H -0.06 0.58 -0.20 -0.55 8.25 8.02 3fewX1 ILE 472 HA 0.02 0.02 0.46 -0.75 4.18 3.93 3fewX1 ILE 472 HB -0.20 0.11 0.07 -0.04 1.89 1.83 3fewX1 ILE 472 HG12 0.00 0.32 0.06 -0.04 1.49 1.83 3fewX1 ILE 472 HG13 -0.06 0.02 -0.04 -0.04 1.21 1.09 3fewX1 ILE 472 HG23 -0.65 -0.02 -0.11 -0.04 0.93 0.11 3fewX1 ILE 472 HD13 -0.02 -0.04 -0.10 -0.04 0.88 0.68 3fewX1 LEU 473 H -0.08 0.40 -0.28 -0.55 8.37 7.87 3fewX1 LEU 473 HA -0.27 0.04 0.29 -0.75 4.35 3.66 3fewX1 LEU 473 HB2 -0.09 0.28 0.18 -0.04 1.64 1.98 3fewX1 LEU 473 HB3 -0.18 0.01 0.03 -0.04 1.64 1.46 3fewX1 LEU 473 HG -0.98 -0.06 -0.06 -0.04 1.64 0.50 3fewX1 LEU 473 HD13 -0.63 -0.01 -0.03 -0.04 0.93 0.22 3fewX1 LEU 473 HD23 0.01 0.01 -0.09 -0.04 0.89 0.78 3fewX1 LEU 474 H -0.05 0.75 -0.07 -0.55 8.37 8.46 3fewX1 LEU 474 HA -0.13 -0.01 0.44 -0.75 4.35 3.90 3fewX1 LEU 474 HB2 0.00 0.07 0.07 -0.04 1.64 1.75 3fewX1 LEU 474 HB3 0.02 0.08 0.10 -0.04 1.64 1.80 3fewX1 LEU 474 HG -0.11 -0.08 -0.03 -0.04 1.64 1.38 3fewX1 LEU 474 HD13 0.02 0.01 -0.18 -0.04 0.93 0.74 3fewX1 LEU 474 HD23 -0.04 -0.00 -0.26 -0.04 0.89 0.54 3fewX1 ALA 475 H -0.00 0.50 -0.20 -0.55 8.40 8.15 3fewX1 ALA 475 HA -0.15 -0.03 0.40 -0.75 4.34 3.80 3fewX1 ALA 475 HB3 -0.09 0.05 0.05 -0.04 1.41 1.38 3fewX1 ALA 476 H -0.12 0.37 -0.53 -0.55 8.40 7.57 3fewX1 ALA 476 HA -0.07 0.01 0.36 -0.75 4.34 3.88 3fewX1 ALA 476 HB3 -0.18 0.04 0.07 -0.04 1.41 1.30 3fewX1 VAL 477 H -0.13 0.60 0.01 -0.55 8.24 8.17 3fewX1 VAL 477 HA -0.01 0.06 0.48 -0.75 4.13 3.90 3fewX1 VAL 477 HB 0.21 -0.07 -0.00 -0.04 2.12 2.22 3fewX1 VAL 477 HG13 -0.22 0.05 -0.00 -0.04 0.97 0.76 3fewX1 VAL 477 HG23 -0.10 0.03 -0.00 -0.04 0.95 0.83 3fewX1 VAL 478 H -0.05 0.65 -0.07 -0.55 8.24 8.23 3fewX1 VAL 478 HA 0.16 0.04 0.45 -0.75 4.13 4.03 3fewX1 VAL 478 HB -0.10 0.13 0.10 -0.04 2.12 2.21 3fewX1 VAL 478 HG13 -0.07 -0.01 -0.14 -0.04 0.97 0.70 3fewX1 VAL 478 HG23 -0.13 -0.01 -0.02 -0.04 0.95 0.75 3fewX1 GLY 479 H -0.10 0.53 -0.10 -0.55 8.43 8.22 3fewX1 GLY 479 HA2 -0.04 -0.02 0.37 -0.51 4.01 3.80 3fewX1 GLY 479 HA3 -0.03 0.15 0.30 -0.51 4.01 3.92 3fewX1 ALA 480 H 0.03 0.26 -0.84 -0.55 8.40 7.30 3fewX1 ALA 480 HA 0.05 -0.03 0.29 -0.75 4.34 3.90 3fewX1 ALA 480 HB3 -0.00 0.11 0.07 -0.04 1.41 1.54 3fewX1 LEU 481 H 0.05 0.48 -0.34 -0.55 8.37 8.01 3fewX1 LEU 481 HA 0.02 0.04 0.48 -0.75 4.35 4.13 3fewX1 LEU 481 HB2 0.03 0.22 0.12 -0.04 1.64 1.97 3fewX1 LEU 481 HB3 -0.00 -0.11 0.06 -0.04 1.64 1.55 3fewX1 LEU 481 HG 0.01 0.23 0.07 -0.04 1.64 1.91 3fewX1 LEU 481 HD13 -0.12 -0.03 -0.01 -0.04 0.93 0.73 3fewX1 LEU 481 HD23 -0.12 -0.03 -0.07 -0.04 0.89 0.63 3fewX1 LEU 482 H 0.13 0.21 -0.37 -0.55 8.37 7.79 3fewX1 LEU 482 HA 0.27 0.13 0.65 -0.75 4.35 4.64 3fewX1 LEU 482 HB2 0.31 0.02 0.12 -0.04 1.64 2.04 3fewX1 LEU 482 HB3 0.34 -0.02 -0.12 -0.04 1.64 1.80 3fewX1 LEU 482 HG 0.15 0.05 -0.15 -0.04 1.64 1.64 3fewX1 LEU 482 HD13 -0.05 0.07 -0.19 -0.04 0.93 0.72 3fewX1 LEU 482 HD23 0.02 -0.02 -0.13 -0.04 0.89 0.72 3fewX1 ASP 483 H 0.21 0.70 0.10 -0.55 8.40 8.86 3fewX1 ASP 483 HA 0.02 0.07 0.72 -0.75 4.63 4.68 3fewX1 ASP 483 HB2 0.04 0.17 -0.46 -0.04 2.71 2.42 3fewX1 ASP 483 HB3 -0.33 -0.06 -0.03 -0.04 2.70 2.24 3fewX1 ASP 484 H -0.03 0.22 0.14 -0.55 8.40 8.19 3fewX1 ASP 484 HA 0.00 0.12 0.39 -0.75 4.63 4.38 3fewX1 ASP 484 HB2 -0.02 0.06 0.13 -0.04 2.71 2.83 3fewX1 ASP 484 HB3 -0.04 0.02 0.05 -0.04 2.70 2.69 3fewX1 LYS 485 H -0.20 0.11 -0.45 -0.55 8.42 7.33 3fewX1 LYS 485 HA -0.11 0.08 0.39 -0.75 4.32 3.93 3fewX1 LYS 485 HB2 -0.19 0.04 0.07 -0.04 1.87 1.74 3fewX1 LYS 485 HB3 -0.20 0.00 0.04 -0.04 1.79 1.59 3fewX1 LYS 485 HG2 -0.79 -0.02 -0.11 -0.04 1.46 0.50 3fewX1 LYS 485 HG3 -0.75 0.02 -0.33 -0.04 1.46 0.37 3fewX1 LYS 485 HD2 -0.25 0.01 -0.06 -0.04 1.69 1.35 3fewX1 LYS 485 HD3 -0.24 -0.00 -0.04 -0.04 1.68 1.36 3fewX1 LYS 485 HE2 -0.54 0.01 -0.09 -0.04 2.99 2.33 3fewX1 LYS 485 HE3 -0.50 0.00 -0.10 -0.04 2.99 2.35 3fewX1 PHE 486 H -0.11 0.47 -0.35 -0.55 8.34 7.81 3fewX1 PHE 486 HA -0.04 0.08 0.49 -0.75 4.62 4.39 3fewX1 PHE 486 HB2 -0.03 0.16 0.07 -0.04 3.15 3.31 3fewX1 PHE 486 HB3 -0.05 0.05 -0.01 -0.04 3.06 3.01 3fewX1 PHE 486 HD2 -0.02 0.09 0.07 -0.04 7.28 7.38 3fewX1 PHE 486 HE2 -0.00 0.00 -0.11 -0.04 7.38 7.23 3fewX1 PHE 486 HZ 0.00 0.11 -0.28 -0.04 7.32 7.12 3fewX1 ALA 487 H 0.07 0.20 -0.12 -0.55 8.40 8.01 3fewX1 ALA 487 HA 0.01 0.09 0.48 -0.75 4.34 4.16 3fewX1 ALA 487 HB3 0.00 0.05 0.12 -0.04 1.41 1.54 3fewX1 ASP 488 H -0.01 0.31 -0.19 -0.55 8.40 7.96 3fewX1 ASP 488 HA -0.01 0.06 0.39 -0.75 4.63 4.32 3fewX1 ASP 488 HB2 -0.04 0.09 0.12 -0.04 2.71 2.83 3fewX1 ASP 488 HB3 -0.02 -0.00 -0.03 -0.04 2.70 2.60 3fewX1 ALA 489 H 0.01 0.44 -0.25 -0.55 8.40 8.05 3fewX1 ALA 489 HA 0.01 0.01 0.39 -0.75 4.34 4.00 3fewX1 ALA 489 HB3 0.07 0.04 0.11 -0.04 1.41 1.59 3fewX1 LEU 490 H 0.03 0.58 -0.21 -0.55 8.37 8.22 3fewX1 LEU 490 HA 0.00 -0.04 0.39 -0.75 4.35 3.96 3fewX1 LEU 490 HB2 -0.03 0.16 0.18 -0.04 1.64 1.91 3fewX1 LEU 490 HB3 -0.08 -0.01 -0.01 -0.04 1.64 1.50 3fewX1 LEU 490 HG -0.00 0.08 0.01 -0.04 1.64 1.68 3fewX1 LEU 490 HD13 -0.09 -0.03 -0.15 -0.04 0.93 0.62 3fewX1 LEU 490 HD23 -0.02 -0.03 -0.02 -0.04 0.89 0.78 3fewX1 ASN 491 H -0.01 0.52 -0.16 -0.55 8.53 8.34 3fewX1 ASN 491 HA -0.00 0.03 0.49 -0.75 4.76 4.53 3fewX1 ASN 491 HB2 -0.00 0.04 0.12 -0.04 2.88 3.00 3fewX1 ASN 491 HB3 0.00 -0.04 0.02 -0.04 2.79 2.73 3fewX1 ASN 491 HD21 -0.00 0.25 -0.27 -0.04 7.03 6.97 3fewX1 ASN 491 HD22 -0.00 -0.11 -0.10 -0.04 7.74 7.48 3fewX1 LYS 492 H 0.01 0.48 -0.19 -0.55 8.42 8.17 3fewX1 LYS 492 HA 0.01 0.04 0.33 -0.75 4.32 3.94 3fewX1 LYS 492 HB2 0.00 0.29 0.14 -0.04 1.87 2.26 3fewX1 LYS 492 HB3 0.01 -0.02 0.03 -0.04 1.79 1.76 3fewX1 LYS 492 HG2 0.01 -0.02 -0.00 -0.04 1.46 1.41 3fewX1 LYS 492 HG3 0.00 -0.02 0.01 -0.04 1.46 1.41 3fewX1 LYS 492 HD2 -0.00 0.01 -0.09 -0.04 1.69 1.56 3fewX1 LYS 492 HD3 0.00 -0.02 -0.05 -0.04 1.68 1.57 3fewX1 LYS 492 HE2 0.00 -0.01 -0.02 -0.04 2.99 2.92 3fewX1 LYS 492 HE3 -0.00 -0.00 -0.03 -0.04 2.99 2.91 3fewX1 GLU 493 H 0.02 0.35 -0.03 -0.55 8.60 8.40 3fewX1 GLU 493 HA 0.02 0.22 0.88 -0.75 4.29 4.66 3fewX1 GLU 493 HB2 0.02 0.08 0.04 -0.04 2.09 2.19 3fewX1 GLU 493 HB3 0.03 -0.05 0.03 -0.04 1.99 1.95 3fewX1 GLU 493 HG2 0.02 -0.00 -0.04 -0.04 2.34 2.27 3fewX1 GLU 493 HG3 0.02 0.01 -0.42 -0.04 2.34 1.90 3fewX1 ILE 494 H 0.03 0.19 0.08 -0.55 8.25 8.00 3fewX1 ILE 494 HA 0.05 0.25 1.12 -0.75 4.18 4.85 3fewX1 ILE 494 HB 0.11 0.02 0.04 -0.04 1.89 2.02 3fewX1 ILE 494 HG12 0.08 -0.09 -0.04 -0.04 1.49 1.41 3fewX1 ILE 494 HG13 0.03 0.19 0.21 -0.04 1.21 1.60 3fewX1 ILE 494 HG23 0.08 -0.04 -0.32 -0.04 0.93 0.62 3fewX1 ILE 494 HD13 0.03 0.01 -0.26 -0.04 0.88 0.62 3fewX1 ILE 495 H 0.03 0.27 0.10 -0.55 8.25 8.09 3fewX1 ILE 495 HA 0.05 0.06 0.31 -0.75 4.18 3.86 3fewX1 ILE 495 HB 0.01 0.19 0.14 -0.04 1.89 2.19 3fewX1 ILE 495 HG12 0.10 -0.07 -0.18 -0.04 1.49 1.29 3fewX1 ILE 495 HG13 0.13 0.08 -0.12 -0.04 1.21 1.25 3fewX1 ILE 495 HG23 0.05 -0.03 -0.24 -0.04 0.93 0.66 3fewX1 ILE 495 HD13 -0.16 -0.02 -0.11 -0.04 0.88 0.55 3fewX1 LYS 496 H 0.04 0.04 -0.23 -0.55 8.42 7.71 3fewX1 LYS 496 HA 0.04 -0.01 0.28 -0.75 4.32 3.88 3fewX1 LYS 496 HB2 0.05 0.16 -0.08 -0.04 1.87 1.96 3fewX1 LYS 496 HB3 0.04 -0.03 0.06 -0.04 1.79 1.83 3fewX1 LYS 496 HG2 0.04 -0.04 -0.05 -0.04 1.46 1.37 3fewX1 LYS 496 HG3 0.04 -0.01 -0.31 -0.04 1.46 1.14 3fewX1 LYS 496 HD2 0.04 0.06 -0.06 -0.04 1.69 1.69 3fewX1 LYS 496 HD3 0.03 -0.06 -0.02 -0.04 1.68 1.59 3fewX1 LYS 496 HE2 0.03 -0.03 -0.02 -0.04 2.99 2.93 3fewX1 LYS 496 HE3 0.04 0.10 -0.02 -0.04 2.99 3.06 3fewX1 PRO 497 HA 0.05 0.21 0.55 -0.51 4.44 4.74 3fewX1 PRO 497 HB2 0.01 -0.20 0.17 -0.04 2.28 2.22 3fewX1 PRO 497 HB3 0.04 -0.05 0.01 -0.04 2.02 1.98 3fewX1 PRO 497 HG2 -0.01 0.07 -0.08 -0.04 2.03 1.97 3fewX1 PRO 497 HG3 0.01 0.09 -0.00 -0.04 2.03 2.09 3fewX1 PRO 497 HD2 0.03 0.04 -0.06 -0.04 3.68 3.64 3fewX1 PRO 497 HD3 0.03 0.09 0.11 -0.04 3.65 3.83 3fewX1 ALA 498 H 0.01 0.20 0.07 -0.55 8.40 8.14 3fewX1 ALA 498 HA 0.06 0.03 0.53 -0.75 4.34 4.20 3fewX1 ALA 498 HB3 0.04 0.02 0.04 -0.04 1.41 1.47 3fewX1 HIS 499 H -0.55 0.12 0.00 -0.55 8.41 7.43 3fewX1 HIS 499 HA 0.02 0.16 0.14 -0.75 4.63 4.20 3fewX1 HIS 499 HB2 0.01 0.06 0.03 -0.04 3.26 3.32 3fewX1 HIS 499 HB3 0.01 0.02 0.02 -0.04 3.20 3.21 3fewX1 HIS 499 HD2 0.01 0.03 0.02 -0.04 6.97 6.98 3fewX1 HIS 499 HE1 0.01 0.00 0.02 -0.04 7.75 7.74