============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 11 0.900 62.473 22.065 53.001 -99.200 -91.000 TYR 16 0.840 68.395 21.401 37.737 -99.200 -91.000 PHE 18 1.000 71.058 26.807 37.154 -99.200 -91.000 PHE 23 1.000 71.916 37.477 41.967 -99.200 -91.000 TYR 38 0.840 76.002 19.839 41.508 -99.200 -91.000 TYR 39 0.840 72.939 12.512 45.513 -99.200 -91.000 TYR 65 0.840 56.578 11.983 41.877 -99.200 -91.000 PHE 67 1.000 65.214 10.358 49.202 -99.200 -91.000 TYR 72 0.840 69.779 13.314 48.387 -99.200 -91.000 TYR 75 0.840 75.114 10.808 48.766 -99.200 -91.000 TYR 87 0.840 54.569 11.239 54.504 -99.200 -91.000 TYR 88 0.840 60.971 7.120 51.595 -99.200 -91.000 TRP 98 1.040 65.771 25.296 39.035 -99.200 -91.000 TRP6 98 1.020 64.024 23.999 39.965 -99.200 -91.000 PHE 100 1.000 69.238 30.863 38.962 -99.200 -91.000 PHE 110 1.000 64.116 32.069 41.240 -99.200 -91.000 PHE 111 1.000 63.286 24.106 48.947 -99.200 -91.000 TRP 113 1.040 56.624 23.428 51.488 -99.200 -91.000 TRP6 113 1.020 58.362 24.547 52.642 -99.200 -91.000 HIS 118 0.900 52.496 14.364 51.883 -99.200 -91.000 TYR 119 0.840 58.559 18.642 56.732 -99.200 -91.000 PHE 127 1.000 63.037 14.792 67.488 -99.200 -91.000 HIS 133 0.900 71.076 22.150 62.636 -99.200 -91.000 PHE 141 1.000 57.745 17.752 61.610 -99.200 -91.000 TYR 150 0.840 64.405 24.866 75.798 -99.200 -91.000 PHE 157 1.000 64.543 27.861 64.290 -99.200 -91.000 TYR 166 0.840 60.249 29.687 60.710 -99.200 -91.000 HIS 177 0.900 59.534 26.113 73.675 -99.200 -91.000 PHE 180 1.000 74.651 24.941 71.122 -99.200 -91.000 PHE 182 1.000 74.641 26.889 64.702 -99.200 -91.000 HIS 186 0.900 72.827 38.183 53.219 -99.200 -91.000 PHE 188 1.000 71.470 38.973 64.488 -99.200 -91.000 PHE 197 1.000 63.678 39.032 70.470 -99.200 -91.000 TYR 202 0.840 67.992 37.371 68.161 -99.200 -91.000 TYR 221 0.840 77.008 38.200 68.968 -99.200 -91.000 TYR 247 0.840 80.267 28.201 61.451 -99.200 -91.000 PHE 251 1.000 78.931 26.048 67.196 -99.200 -91.000 TYR 255 0.840 77.737 21.338 72.803 -99.200 -91.000 TYR 259 0.840 87.332 18.670 70.647 -99.200 -91.000 PHE 274 1.000 89.378 20.714 54.185 -99.200 -91.000 TRP 288 1.040 87.970 15.460 64.346 -99.200 -91.000 TRP6 288 1.020 86.423 17.031 65.191 -99.200 -91.000 HIS 298 0.900 93.392 30.994 60.964 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2c49A1 GLY 3 HA2 0.05 -0.25 0.03 -0.51 4.01 3.33 2c49A1 GLY 3 HA3 0.05 0.12 -0.14 -0.51 4.01 3.53 2c49A1 LYS 4 H 0.03 0.16 0.01 -0.55 8.42 8.06 2c49A1 LYS 4 HA 0.02 0.19 0.73 -0.75 4.32 4.51 2c49A1 LYS 4 HB2 0.01 -0.03 0.02 -0.04 1.87 1.82 2c49A1 LYS 4 HB3 0.01 0.11 -0.36 -0.04 1.79 1.51 2c49A1 LYS 4 HG2 0.02 -0.01 -0.03 -0.04 1.46 1.40 2c49A1 LYS 4 HG3 0.01 -0.05 -0.24 -0.04 1.46 1.14 2c49A1 LYS 4 HD2 0.01 0.03 -0.06 -0.04 1.69 1.62 2c49A1 LYS 4 HD3 0.01 0.00 -0.05 -0.04 1.68 1.60 2c49A1 LYS 4 HE2 0.00 -0.03 -0.04 -0.04 2.99 2.89 2c49A1 LYS 4 HE3 0.00 -0.02 -0.07 -0.04 2.99 2.86 2c49A1 MET 5 H 0.03 0.35 0.29 -0.55 8.47 8.59 2c49A1 MET 5 HA 0.01 0.06 0.62 -0.75 4.52 4.46 2c49A1 MET 5 HB2 0.03 0.05 0.12 -0.04 2.15 2.32 2c49A1 MET 5 HB3 0.02 -0.01 -0.11 -0.04 2.03 1.89 2c49A1 MET 5 HG2 0.01 0.00 0.02 -0.04 2.63 2.63 2c49A1 MET 5 HG3 0.02 0.01 0.05 -0.04 2.56 2.60 2c49A1 MET 5 HE3 0.02 -0.00 -0.04 -0.04 2.10 2.04 2c49A1 GLU 6 H 0.00 0.15 0.16 -0.55 8.60 8.36 2c49A1 GLU 6 HA 0.01 0.11 0.52 -0.75 4.29 4.17 2c49A1 GLU 6 HB2 -0.02 -0.04 0.24 -0.04 2.09 2.24 2c49A1 GLU 6 HB3 -0.02 -0.02 0.30 -0.04 1.99 2.20 2c49A1 GLU 6 HG2 -0.02 0.05 0.07 -0.04 2.34 2.39 2c49A1 GLU 6 HG3 -0.03 0.03 0.09 -0.04 2.34 2.39 2c49A1 LYS 7 H 0.03 0.53 0.39 -0.55 8.42 8.81 2c49A1 LYS 7 HA 0.02 0.37 0.76 -0.75 4.32 4.72 2c49A1 LYS 7 HB2 0.02 -0.01 -0.45 -0.04 1.87 1.40 2c49A1 LYS 7 HB3 0.04 -0.07 -0.22 -0.04 1.79 1.49 2c49A1 LYS 7 HG2 0.05 -0.03 -0.31 -0.04 1.46 1.12 2c49A1 LYS 7 HG3 0.03 0.06 -0.54 -0.04 1.46 0.97 2c49A1 LYS 7 HD2 0.03 -0.00 -0.18 -0.04 1.69 1.50 2c49A1 LYS 7 HD3 0.05 -0.06 -0.21 -0.04 1.68 1.41 2c49A1 LYS 7 HE2 0.04 -0.03 -0.34 -0.04 2.99 2.62 2c49A1 LYS 7 HE3 0.02 0.03 -0.18 -0.04 2.99 2.83 2c49A1 ILE 8 H 0.04 0.55 0.31 -0.55 8.25 8.60 2c49A1 ILE 8 HA 0.05 0.23 1.01 -0.75 4.18 4.71 2c49A1 ILE 8 HB 0.05 -0.01 0.03 -0.04 1.89 1.91 2c49A1 ILE 8 HG12 0.08 0.01 -0.10 -0.04 1.49 1.44 2c49A1 ILE 8 HG13 0.06 -0.05 -0.52 -0.04 1.21 0.66 2c49A1 ILE 8 HG23 0.06 -0.01 -0.25 -0.04 0.93 0.68 2c49A1 ILE 8 HD13 0.08 0.02 -0.26 -0.04 0.88 0.67 2c49A1 THR 9 H 0.01 0.73 0.35 -0.55 8.28 8.83 2c49A1 THR 9 HA 0.06 0.13 0.94 -0.75 4.39 4.77 2c49A1 THR 9 HB -0.15 -0.02 0.20 -0.04 4.32 4.31 2c49A1 THR 9 HG23 0.14 0.00 -0.20 -0.04 1.22 1.12 2c49A1 CYS 10 H 0.07 0.71 0.36 -0.55 8.50 9.09 2c49A1 CYS 10 HA 0.10 0.29 0.95 -0.75 4.58 5.17 2c49A1 CYS 10 HB2 0.07 -0.02 0.16 -0.04 2.97 3.14 2c49A1 CYS 10 HB3 0.11 -0.06 0.06 -0.04 2.97 3.03 2c49A1 VAL 11 H 0.00 0.76 0.39 -0.55 8.24 8.84 2c49A1 VAL 11 HA 0.10 0.25 1.03 -0.75 4.13 4.76 2c49A1 VAL 11 HB 0.01 -0.04 0.08 -0.04 2.12 2.13 2c49A1 VAL 11 HG13 0.24 -0.01 -0.12 -0.04 0.97 1.05 2c49A1 VAL 11 HG23 0.05 0.02 -0.21 -0.04 0.95 0.77 2c49A1 GLY 12 H 0.04 0.58 0.34 -0.55 8.43 8.84 2c49A1 GLY 12 HA2 -0.26 -0.05 0.26 -0.51 4.01 3.45 2c49A1 GLY 12 HA3 -0.11 0.38 0.72 -0.51 4.01 4.49 2c49A1 HIS 13 H -0.19 0.14 0.13 -0.55 8.41 7.95 2c49A1 HIS 13 HA 0.01 0.08 0.25 -0.75 4.63 4.23 2c49A1 HIS 13 HB2 0.03 -0.20 0.12 -0.04 3.26 3.17 2c49A1 HIS 13 HB3 0.18 0.12 -0.11 -0.04 3.20 3.35 2c49A1 HIS 13 HD2 -0.22 -0.06 0.11 -0.04 6.97 6.75 2c49A1 HIS 13 HE1 -1.66 0.05 0.05 -0.04 7.75 6.15 2c49A1 THR 14 H 0.01 0.24 0.23 -0.55 8.28 8.21 2c49A1 THR 14 HA 0.08 0.17 0.77 -0.75 4.39 4.66 2c49A1 THR 14 HB -0.28 -0.01 0.07 -0.04 4.32 4.05 2c49A1 THR 14 HG23 -0.36 0.02 -0.05 -0.04 1.22 0.79 2c49A1 ALA 15 H 0.28 0.61 -0.04 -0.55 8.40 8.70 2c49A1 ALA 15 HA 0.10 0.34 0.85 -0.75 4.34 4.87 2c49A1 ALA 15 HB3 0.19 -0.05 -0.39 -0.04 1.41 1.12 2c49A1 LEU 16 H 0.00 0.55 0.29 -0.55 8.37 8.67 2c49A1 LEU 16 HA -0.03 0.25 0.94 -0.75 4.35 4.76 2c49A1 LEU 16 HB2 -0.14 0.02 0.14 -0.04 1.64 1.62 2c49A1 LEU 16 HB3 -0.25 0.01 0.01 -0.04 1.64 1.37 2c49A1 LEU 16 HG 0.16 -0.05 -0.12 -0.04 1.64 1.59 2c49A1 LEU 16 HD13 -0.00 0.00 -0.00 -0.04 0.93 0.89 2c49A1 LEU 16 HD23 -0.04 0.01 -0.07 -0.04 0.89 0.75 2c49A1 ASP 17 H -0.17 0.71 0.32 -0.55 8.40 8.72 2c49A1 ASP 17 HA -0.20 0.15 0.92 -0.75 4.63 4.75 2c49A1 ASP 17 HB2 -0.03 0.03 0.06 -0.04 2.71 2.73 2c49A1 ASP 17 HB3 -0.08 0.06 -0.18 -0.04 2.70 2.45 2c49A1 TYR 18 H -0.34 0.75 0.46 -0.55 8.29 8.61 2c49A1 TYR 18 HA -0.33 0.29 0.89 -0.75 4.56 4.65 2c49A1 TYR 18 HB2 -0.76 0.02 0.32 -0.04 3.06 2.60 2c49A1 TYR 18 HB3 -0.72 0.02 0.04 -0.04 2.98 2.28 2c49A1 TYR 18 HD2 -0.91 0.02 -0.04 -0.04 7.15 6.18 2c49A1 TYR 18 HE2 -0.04 0.01 -0.17 -0.04 6.85 6.61 2c49A1 ILE 19 H -0.36 0.32 0.17 -0.55 8.25 7.84 2c49A1 ILE 19 HA -0.28 0.21 1.03 -0.75 4.18 4.38 2c49A1 ILE 19 HB -0.31 0.03 0.09 -0.04 1.89 1.66 2c49A1 ILE 19 HG12 -0.14 0.03 -0.19 -0.04 1.49 1.15 2c49A1 ILE 19 HG13 -0.18 -0.07 -0.54 -0.04 1.21 0.38 2c49A1 ILE 19 HG23 -0.13 -0.01 -0.11 -0.04 0.93 0.64 2c49A1 ILE 19 HD13 -0.38 -0.01 -0.07 -0.04 0.88 0.37 2c49A1 PHE 20 H -0.09 0.85 0.43 -0.55 8.34 8.97 2c49A1 PHE 20 HA 0.02 0.21 1.09 -0.75 4.62 5.18 2c49A1 PHE 20 HB2 -0.07 -0.06 0.01 -0.04 3.15 2.98 2c49A1 PHE 20 HB3 0.09 0.09 -0.00 -0.04 3.06 3.20 2c49A1 PHE 20 HD2 -0.59 0.09 -0.12 -0.04 7.28 6.62 2c49A1 PHE 20 HE2 0.04 -0.03 -0.09 -0.04 7.38 7.27 2c49A1 PHE 20 HZ -0.14 -0.00 -0.07 -0.04 7.32 7.08 2c49A1 ASN 21 H 0.18 0.20 0.22 -0.55 8.53 8.59 2c49A1 ASN 21 HA 0.14 0.26 0.98 -0.75 4.76 5.38 2c49A1 ASN 21 HB2 0.09 -0.04 0.20 -0.04 2.88 3.09 2c49A1 ASN 21 HB3 0.07 0.05 0.00 -0.04 2.79 2.87 2c49A1 ASN 21 HD21 0.03 0.10 0.03 -0.04 7.03 7.14 2c49A1 ASN 21 HD22 0.05 0.06 0.02 -0.04 7.74 7.82 2c49A1 VAL 22 H 0.14 0.81 0.30 -0.55 8.24 8.93 2c49A1 VAL 22 HA 0.10 0.14 0.67 -0.75 4.13 4.28 2c49A1 VAL 22 HB 0.09 0.04 0.06 -0.04 2.12 2.28 2c49A1 VAL 22 HG13 0.28 -0.00 -0.25 -0.04 0.97 0.95 2c49A1 VAL 22 HG23 0.18 -0.04 -0.46 -0.04 0.95 0.60 2c49A1 GLU 23 H 0.02 0.16 0.14 -0.55 8.60 8.38 2c49A1 GLU 23 HA -0.02 0.10 0.68 -0.75 4.29 4.30 2c49A1 GLU 23 HB2 0.00 0.01 0.18 -0.04 2.09 2.25 2c49A1 GLU 23 HB3 -0.02 0.03 0.03 -0.04 1.99 1.99 2c49A1 GLU 23 HG2 -0.01 0.02 0.04 -0.04 2.34 2.35 2c49A1 GLU 23 HG3 -0.02 -0.02 0.11 -0.04 2.34 2.38 2c49A1 LYS 24 H -0.03 0.24 0.09 -0.55 8.42 8.17 2c49A1 LYS 24 HA -0.25 0.07 0.70 -0.75 4.32 4.08 2c49A1 LYS 24 HB2 -0.02 0.11 -0.12 -0.04 1.87 1.79 2c49A1 LYS 24 HB3 -0.07 0.02 0.06 -0.04 1.79 1.77 2c49A1 LYS 24 HG2 -0.05 0.06 -0.38 -0.04 1.46 1.05 2c49A1 LYS 24 HG3 -0.03 -0.07 -0.11 -0.04 1.46 1.21 2c49A1 LYS 24 HD2 -0.02 0.04 -0.05 -0.04 1.69 1.63 2c49A1 LYS 24 HD3 -0.02 0.02 -0.05 -0.04 1.68 1.58 2c49A1 LYS 24 HE2 -0.01 -0.03 -0.04 -0.04 2.99 2.88 2c49A1 LYS 24 HE3 -0.00 0.01 -0.04 -0.04 2.99 2.91 2c49A1 PHE 25 H -0.27 0.09 0.03 -0.55 8.34 7.63 2c49A1 PHE 25 HA 0.01 0.08 0.43 -0.75 4.62 4.38 2c49A1 PHE 25 HB2 -0.00 -0.01 0.01 -0.04 3.15 3.11 2c49A1 PHE 25 HB3 -0.02 0.12 -0.05 -0.04 3.06 3.07 2c49A1 PHE 25 HD2 0.05 0.04 -0.11 -0.04 7.28 7.22 2c49A1 PHE 25 HE2 0.09 0.03 -0.28 -0.04 7.38 7.18 2c49A1 PHE 25 HZ 0.06 -0.03 -0.74 -0.04 7.32 6.56 2c49A1 PRO 26 HA 0.02 0.02 0.31 -0.51 4.44 4.28 2c49A1 PRO 26 HB2 -0.05 0.16 -0.15 -0.04 2.28 2.20 2c49A1 PRO 26 HB3 -0.04 -0.01 -0.02 -0.04 2.02 1.91 2c49A1 PRO 26 HG2 -0.08 0.02 -0.02 -0.04 2.03 1.91 2c49A1 PRO 26 HG3 -0.18 0.01 -0.02 -0.04 2.03 1.81 2c49A1 PRO 26 HD2 0.08 0.01 0.14 -0.04 3.68 3.87 2c49A1 PRO 26 HD3 0.04 0.15 0.13 -0.04 3.65 3.92 2c49A1 GLU 27 H 0.01 0.07 0.09 -0.55 8.60 8.22 2c49A1 GLU 27 HA 0.01 0.13 0.63 -0.75 4.29 4.31 2c49A1 GLU 27 HB2 0.00 -0.00 0.00 -0.04 2.09 2.05 2c49A1 GLU 27 HB3 0.00 0.07 0.07 -0.04 1.99 2.08 2c49A1 GLU 27 HG2 0.02 0.00 0.00 -0.04 2.34 2.32 2c49A1 GLU 27 HG3 0.02 -0.02 -0.01 -0.04 2.34 2.29 2c49A1 PRO 28 HA -0.02 -0.04 0.52 -0.51 4.44 4.39 2c49A1 PRO 28 HB2 -0.01 0.03 0.03 -0.04 2.28 2.28 2c49A1 PRO 28 HB3 -0.01 0.02 0.05 -0.04 2.02 2.03 2c49A1 PRO 28 HG2 -0.01 0.04 0.07 -0.04 2.03 2.09 2c49A1 PRO 28 HG3 -0.01 0.03 0.08 -0.04 2.03 2.10 2c49A1 PRO 28 HD2 0.00 0.08 0.21 -0.04 3.68 3.93 2c49A1 PRO 28 HD3 -0.00 0.18 0.13 -0.04 3.65 3.92 2c49A1 ASN 29 H -0.03 0.07 0.18 -0.55 8.53 8.20 2c49A1 ASN 29 HA -0.03 -0.02 0.32 -0.75 4.76 4.27 2c49A1 ASN 29 HB2 -0.02 0.22 -0.05 -0.04 2.88 2.99 2c49A1 ASN 29 HB3 -0.02 -0.01 0.14 -0.04 2.79 2.86 2c49A1 ASN 29 HD21 -0.01 -0.01 -0.07 -0.04 7.03 6.89 2c49A1 ASN 29 HD22 -0.01 0.06 -0.12 -0.04 7.74 7.62 2c49A1 THR 30 H -0.04 0.23 0.14 -0.55 8.28 8.06 2c49A1 THR 30 HA -0.02 0.09 0.70 -0.75 4.39 4.40 2c49A1 THR 30 HB -0.02 0.27 -0.38 -0.04 4.32 4.15 2c49A1 THR 30 HG23 -0.03 -0.06 -0.19 -0.04 1.22 0.90 2c49A1 SER 31 H -0.03 0.24 0.18 -0.55 8.46 8.30 2c49A1 SER 31 HA -0.06 0.18 0.94 -0.75 4.49 4.80 2c49A1 SER 31 HB2 -0.03 -0.00 -0.02 -0.04 3.95 3.85 2c49A1 SER 31 HB3 -0.04 0.03 0.03 -0.04 3.93 3.91 2c49A1 ILE 32 H -0.06 0.26 0.15 -0.55 8.25 8.06 2c49A1 ILE 32 HA -0.01 0.14 0.79 -0.75 4.18 4.34 2c49A1 ILE 32 HB -0.05 -0.03 0.02 -0.04 1.89 1.78 2c49A1 ILE 32 HG12 -0.03 -0.05 -0.43 -0.04 1.49 0.94 2c49A1 ILE 32 HG13 -0.01 0.00 -0.08 -0.04 1.21 1.08 2c49A1 ILE 32 HG23 0.01 -0.00 -0.19 -0.04 0.93 0.70 2c49A1 ILE 32 HD13 0.00 0.03 0.06 -0.04 0.88 0.94 2c49A1 GLN 33 H -0.00 0.18 0.12 -0.55 8.47 8.23 2c49A1 GLN 33 HA -0.01 0.16 0.94 -0.75 4.36 4.69 2c49A1 GLN 33 HB2 -0.00 -0.01 0.03 -0.04 2.15 2.12 2c49A1 GLN 33 HB3 0.01 0.00 0.04 -0.04 2.02 2.03 2c49A1 GLN 33 HG2 0.02 0.04 -0.30 -0.04 2.40 2.12 2c49A1 GLN 33 HG3 0.00 0.00 0.01 -0.04 2.39 2.37 2c49A1 GLN 33 HE21 0.01 -0.01 -0.03 -0.04 6.97 6.90 2c49A1 GLN 33 HE22 0.02 0.00 -0.09 -0.04 7.69 7.58 2c49A1 ILE 34 H 0.00 0.19 0.05 -0.55 8.25 7.95 2c49A1 ILE 34 HA 0.07 0.21 0.80 -0.75 4.18 4.50 2c49A1 ILE 34 HB 0.04 -0.01 0.06 -0.04 1.89 1.94 2c49A1 ILE 34 HG12 -0.09 -0.00 -0.18 -0.04 1.49 1.17 2c49A1 ILE 34 HG13 -0.38 -0.03 -0.08 -0.04 1.21 0.68 2c49A1 ILE 34 HG23 0.30 -0.03 -0.20 -0.04 0.93 0.96 2c49A1 ILE 34 HD13 0.05 0.03 -0.14 -0.04 0.88 0.78 2c49A1 PRO 35 HA 0.04 0.04 0.39 -0.51 4.44 4.41 2c49A1 PRO 35 HB2 0.06 0.02 0.14 -0.04 2.28 2.45 2c49A1 PRO 35 HB3 0.04 0.02 0.10 -0.04 2.02 2.14 2c49A1 PRO 35 HG2 0.05 0.04 0.11 -0.04 2.03 2.19 2c49A1 PRO 35 HG3 0.04 0.03 0.06 -0.04 2.03 2.12 2c49A1 PRO 35 HD2 0.09 0.09 0.24 -0.04 3.68 4.06 2c49A1 PRO 35 HD3 0.06 0.31 0.26 -0.04 3.65 4.23 2c49A1 SER 36 H 0.11 0.19 -0.14 -0.55 8.46 8.07 2c49A1 SER 36 HA 0.07 0.14 0.85 -0.75 4.49 4.80 2c49A1 SER 36 HB2 0.04 0.07 -0.25 -0.04 3.95 3.78 2c49A1 SER 36 HB3 0.06 -0.03 -0.02 -0.04 3.93 3.89 2c49A1 ALA 37 H 0.09 0.28 0.20 -0.55 8.40 8.43 2c49A1 ALA 37 HA 0.09 0.17 0.72 -0.75 4.34 4.57 2c49A1 ALA 37 HB3 0.29 0.01 -0.02 -0.04 1.41 1.64 2c49A1 ARG 38 H 0.01 0.29 0.25 -0.55 8.46 8.45 2c49A1 ARG 38 HA -0.16 0.15 0.84 -0.75 4.34 4.41 2c49A1 ARG 38 HB2 -0.15 -0.04 -0.05 -0.04 1.90 1.62 2c49A1 ARG 38 HB3 -0.75 0.04 -0.14 -0.04 1.80 0.91 2c49A1 ARG 38 HG2 -0.29 -0.00 0.08 -0.04 1.67 1.42 2c49A1 ARG 38 HG3 -0.15 0.02 -0.06 -0.04 1.67 1.43 2c49A1 ARG 38 HD2 -0.22 0.01 -0.01 -0.04 3.22 2.95 2c49A1 ARG 38 HD3 -0.25 -0.02 -0.05 -0.04 3.22 2.86 2c49A1 LYS 39 H -0.43 0.14 0.18 -0.55 8.42 7.75 2c49A1 LYS 39 HA -0.67 0.33 0.94 -0.75 4.32 4.16 2c49A1 LYS 39 HB2 -0.45 -0.02 0.07 -0.04 1.87 1.43 2c49A1 LYS 39 HB3 -0.50 -0.05 -0.01 -0.04 1.79 1.18 2c49A1 LYS 39 HG2 -1.33 0.02 -0.13 -0.04 1.46 -0.02 2c49A1 LYS 39 HG3 -0.58 -0.02 -0.05 -0.04 1.46 0.78 2c49A1 LYS 39 HD2 -0.24 -0.00 -0.01 -0.04 1.69 1.39 2c49A1 LYS 39 HD3 -0.32 -0.04 -0.05 -0.04 1.68 1.24 2c49A1 LYS 39 HE2 -0.05 -0.01 -0.03 -0.04 2.99 2.87 2c49A1 LYS 39 HE3 -0.12 0.00 -0.06 -0.04 2.99 2.77 2c49A1 TYR 40 H -0.22 0.70 0.42 -0.55 8.29 8.64 2c49A1 TYR 40 HA -0.46 0.19 0.90 -0.75 4.56 4.44 2c49A1 TYR 40 HB2 -0.21 -0.09 0.06 -0.04 3.06 2.78 2c49A1 TYR 40 HB3 -0.20 -0.02 0.07 -0.04 2.98 2.79 2c49A1 TYR 40 HD2 -0.23 0.06 0.00 -0.04 7.15 6.94 2c49A1 TYR 40 HE2 -0.16 0.06 -0.02 -0.04 6.85 6.69 2c49A1 TYR 41 H -0.54 0.19 0.14 -0.55 8.29 7.52 2c49A1 TYR 41 HA -0.64 0.08 0.66 -0.75 4.56 3.91 2c49A1 TYR 41 HB2 -0.37 -0.01 0.11 -0.04 3.06 2.75 2c49A1 TYR 41 HB3 -0.64 0.07 0.04 -0.04 2.98 2.41 2c49A1 TYR 41 HD2 -1.25 0.03 -0.00 -0.04 7.15 5.88 2c49A1 TYR 41 HE2 -0.61 -0.01 -0.06 -0.04 6.85 6.12 2c49A1 GLY 42 H 0.28 0.48 0.36 -0.55 8.43 9.00 2c49A1 GLY 42 HA2 0.14 0.08 0.63 -0.51 4.01 4.35 2c49A1 GLY 42 HA3 0.11 -0.07 0.12 -0.51 4.01 3.66 2c49A1 GLY 43 H 0.15 0.08 -0.07 -0.55 8.43 8.04 2c49A1 GLY 43 HA2 0.18 -0.04 0.25 -0.51 4.01 3.89 2c49A1 GLY 43 HA3 0.19 0.11 0.48 -0.51 4.01 4.28 2c49A1 ALA 44 H 0.09 0.09 0.07 -0.55 8.40 8.11 2c49A1 ALA 44 HA 0.08 0.02 0.32 -0.75 4.34 4.00 2c49A1 ALA 44 HB3 0.04 0.04 -0.03 -0.04 1.41 1.42 2c49A1 ALA 45 H 0.08 0.25 -0.24 -0.55 8.40 7.95 2c49A1 ALA 45 HA 0.09 0.10 0.28 -0.75 4.34 4.06 2c49A1 ALA 45 HB3 0.03 0.08 -0.50 -0.04 1.41 0.98 2c49A1 ALA 46 H 0.09 0.31 -0.18 -0.55 8.40 8.07 2c49A1 ALA 46 HA 0.07 0.07 0.36 -0.75 4.34 4.08 2c49A1 ALA 46 HB3 0.12 0.05 0.08 -0.04 1.41 1.61 2c49A1 ASN 47 H 0.13 0.58 -0.31 -0.55 8.53 8.38 2c49A1 ASN 47 HA 0.15 0.03 0.09 -0.75 4.76 4.28 2c49A1 ASN 47 HB2 0.09 0.04 -0.02 -0.04 2.88 2.95 2c49A1 ASN 47 HB3 0.08 0.02 -0.18 -0.04 2.79 2.68 2c49A1 ASN 47 HD21 0.08 -0.16 -0.20 -0.04 7.03 6.71 2c49A1 ASN 47 HD22 0.07 -0.02 -0.20 -0.04 7.74 7.54 2c49A1 THR 48 H 0.09 0.44 -0.34 -0.55 8.28 7.92 2c49A1 THR 48 HA 0.04 0.04 0.37 -0.75 4.39 4.09 2c49A1 THR 48 HB 0.12 0.10 0.04 -0.04 4.32 4.54 2c49A1 THR 48 HG23 -0.13 0.00 -0.14 -0.04 1.22 0.91 2c49A1 ALA 49 H 0.08 0.53 -0.19 -0.55 8.40 8.27 2c49A1 ALA 49 HA 0.05 0.05 0.33 -0.75 4.34 4.01 2c49A1 ALA 49 HB3 0.06 0.00 -0.01 -0.04 1.41 1.41 2c49A1 VAL 50 H 0.09 0.62 -0.19 -0.55 8.24 8.21 2c49A1 VAL 50 HA 0.03 0.06 0.48 -0.75 4.13 3.95 2c49A1 VAL 50 HB 0.13 0.05 0.03 -0.04 2.12 2.29 2c49A1 VAL 50 HG13 0.09 -0.00 -0.11 -0.04 0.97 0.91 2c49A1 VAL 50 HG23 0.16 0.02 -0.04 -0.04 0.95 1.05 2c49A1 GLY 51 H 0.07 0.52 -0.13 -0.55 8.43 8.34 2c49A1 GLY 51 HA2 0.05 0.04 0.39 -0.51 4.01 3.98 2c49A1 GLY 51 HA3 0.05 -0.01 0.29 -0.51 4.01 3.83 2c49A1 ILE 52 H 0.04 0.62 -0.18 -0.55 8.25 8.19 2c49A1 ILE 52 HA 0.06 0.03 0.37 -0.75 4.18 3.88 2c49A1 ILE 52 HB 0.03 0.10 0.11 -0.04 1.89 2.09 2c49A1 ILE 52 HG12 0.03 0.00 -0.00 -0.04 1.49 1.48 2c49A1 ILE 52 HG13 0.02 0.06 0.06 -0.04 1.21 1.30 2c49A1 ILE 52 HG23 0.03 0.05 -0.24 -0.04 0.93 0.73 2c49A1 ILE 52 HD13 0.01 -0.05 -0.21 -0.04 0.88 0.59 2c49A1 LYS 53 H 0.03 0.45 -0.13 -0.55 8.42 8.21 2c49A1 LYS 53 HA 0.01 0.28 0.40 -0.75 4.32 4.26 2c49A1 LYS 53 HB2 0.01 -0.02 0.14 -0.04 1.87 1.95 2c49A1 LYS 53 HB3 -0.00 0.03 0.12 -0.04 1.79 1.90 2c49A1 LYS 53 HG2 -0.02 0.16 -0.02 -0.04 1.46 1.54 2c49A1 LYS 53 HG3 -0.01 -0.06 -0.14 -0.04 1.46 1.21 2c49A1 LYS 53 HD2 -0.00 -0.00 -0.01 -0.04 1.69 1.63 2c49A1 LYS 53 HD3 -0.00 -0.12 0.06 -0.04 1.68 1.57 2c49A1 LYS 53 HE2 -0.02 0.28 0.08 -0.04 2.99 3.29 2c49A1 LYS 53 HE3 -0.01 -0.08 -0.01 -0.04 2.99 2.85 2c49A1 LYS 54 H 0.03 0.52 -0.24 -0.55 8.42 8.17 2c49A1 LYS 54 HA 0.01 -0.01 0.37 -0.75 4.32 3.93 2c49A1 LYS 54 HB2 0.02 0.02 0.03 -0.04 1.87 1.90 2c49A1 LYS 54 HB3 0.03 0.10 0.01 -0.04 1.79 1.88 2c49A1 LYS 54 HG2 0.00 0.06 -0.46 -0.04 1.46 1.02 2c49A1 LYS 54 HG3 -0.00 -0.04 -0.47 -0.04 1.46 0.91 2c49A1 LYS 54 HD2 0.00 -0.06 0.00 -0.04 1.69 1.59 2c49A1 LYS 54 HD3 0.00 -0.01 -0.04 -0.04 1.68 1.59 2c49A1 LYS 54 HE2 -0.02 -0.08 -0.10 -0.04 2.99 2.75 2c49A1 LYS 54 HE3 -0.00 -0.08 -0.03 -0.04 2.99 2.84 2c49A1 LEU 55 H 0.06 0.45 -0.39 -0.55 8.37 7.94 2c49A1 LEU 55 HA 0.17 -0.14 0.55 -0.75 4.35 4.18 2c49A1 LEU 55 HB2 0.13 0.13 0.07 -0.04 1.64 1.94 2c49A1 LEU 55 HB3 0.38 -0.12 0.09 -0.04 1.64 1.95 2c49A1 LEU 55 HG 0.09 0.26 -0.02 -0.04 1.64 1.93 2c49A1 LEU 55 HD13 0.13 -0.04 -0.23 -0.04 0.93 0.75 2c49A1 LEU 55 HD23 0.11 -0.05 -0.24 -0.04 0.89 0.67 2c49A1 GLY 56 H 0.02 0.54 -0.53 -0.55 8.43 7.91 2c49A1 GLY 56 HA2 -0.02 0.04 0.26 -0.51 4.01 3.78 2c49A1 GLY 56 HA3 -0.06 -0.03 0.41 -0.51 4.01 3.83 2c49A1 VAL 57 H -0.01 0.45 -0.03 -0.55 8.24 8.11 2c49A1 VAL 57 HA -0.04 0.14 0.83 -0.75 4.13 4.30 2c49A1 VAL 57 HB 0.01 -0.01 -0.05 -0.04 2.12 2.03 2c49A1 VAL 57 HG13 0.01 0.03 -0.19 -0.04 0.97 0.79 2c49A1 VAL 57 HG23 -0.07 0.01 -0.17 -0.04 0.95 0.68 2c49A1 ASN 58 H -0.01 0.22 0.17 -0.55 8.53 8.37 2c49A1 ASN 58 HA 0.00 0.10 0.56 -0.75 4.76 4.67 2c49A1 ASN 58 HB2 0.01 0.04 0.16 -0.04 2.88 3.04 2c49A1 ASN 58 HB3 0.01 -0.02 0.07 -0.04 2.79 2.81 2c49A1 ASN 58 HD21 -0.01 -0.01 0.04 -0.04 7.03 7.01 2c49A1 ASN 58 HD22 -0.00 -0.01 0.04 -0.04 7.74 7.73 2c49A1 SER 59 H 0.02 0.25 0.31 -0.55 8.46 8.50 2c49A1 SER 59 HA 0.04 0.19 0.97 -0.75 4.49 4.94 2c49A1 SER 59 HB2 0.04 -0.01 0.16 -0.04 3.95 4.10 2c49A1 SER 59 HB3 0.03 0.04 -0.04 -0.04 3.93 3.92 2c49A1 GLU 60 H 0.05 0.61 0.44 -0.55 8.60 9.15 2c49A1 GLU 60 HA 0.04 0.16 0.81 -0.75 4.29 4.56 2c49A1 GLU 60 HB2 0.07 0.02 0.10 -0.04 2.09 2.24 2c49A1 GLU 60 HB3 0.06 -0.00 0.05 -0.04 1.99 2.06 2c49A1 GLU 60 HG2 0.08 0.04 -0.11 -0.04 2.34 2.31 2c49A1 GLU 60 HG3 0.10 -0.08 -0.05 -0.04 2.34 2.28 2c49A1 LEU 61 H 0.04 0.67 0.29 -0.55 8.37 8.82 2c49A1 LEU 61 HA 0.05 0.28 0.98 -0.75 4.35 4.90 2c49A1 LEU 61 HB2 0.02 -0.00 -0.17 -0.04 1.64 1.45 2c49A1 LEU 61 HB3 0.00 -0.00 0.03 -0.04 1.64 1.63 2c49A1 LEU 61 HG -0.05 -0.04 -0.39 -0.04 1.64 1.13 2c49A1 LEU 61 HD13 0.02 0.03 -0.34 -0.04 0.93 0.60 2c49A1 LEU 61 HD23 -0.07 -0.02 -0.13 -0.04 0.89 0.63 2c49A1 LEU 62 H 0.08 0.74 0.30 -0.55 8.37 8.94 2c49A1 LEU 62 HA 0.06 0.14 0.67 -0.75 4.35 4.46 2c49A1 LEU 62 HB2 0.21 0.02 -0.05 -0.04 1.64 1.78 2c49A1 LEU 62 HB3 0.21 -0.08 0.23 -0.04 1.64 1.95 2c49A1 LEU 62 HG 0.17 0.14 -0.02 -0.04 1.64 1.89 2c49A1 LEU 62 HD13 0.41 0.01 -0.05 -0.04 0.93 1.26 2c49A1 LEU 62 HD23 0.25 -0.03 -0.28 -0.04 0.89 0.79 2c49A1 SER 63 H -0.07 0.33 0.12 -0.55 8.46 8.29 2c49A1 SER 63 HA 0.07 0.09 0.67 -0.75 4.49 4.57 2c49A1 SER 63 HB2 -0.25 -0.04 -0.19 -0.04 3.95 3.43 2c49A1 SER 63 HB3 -0.11 -0.16 0.06 -0.04 3.93 3.68 2c49A1 CYS 64 H -0.31 0.10 0.12 -0.55 8.50 7.86 2c49A1 CYS 64 HA -0.25 0.29 1.03 -0.75 4.58 4.90 2c49A1 CYS 64 HB2 -0.65 -0.15 0.03 -0.04 2.97 2.16 2c49A1 CYS 64 HB3 -0.27 0.12 -0.10 -0.04 2.97 2.69 2c49A1 VAL 65 H -0.40 0.83 0.33 -0.55 8.24 8.45 2c49A1 VAL 65 HA -0.31 0.13 0.96 -0.75 4.13 4.15 2c49A1 VAL 65 HB -0.75 -0.10 0.09 -0.04 2.12 1.32 2c49A1 VAL 65 HG13 -1.23 0.01 -0.17 -0.04 0.97 -0.46 2c49A1 VAL 65 HG23 -1.10 0.04 -0.14 -0.04 0.95 -0.29 2c49A1 GLY 66 H -0.11 0.07 0.05 -0.55 8.43 7.91 2c49A1 GLY 66 HA2 -0.06 0.18 0.43 -0.51 4.01 4.06 2c49A1 GLY 66 HA3 -0.18 -0.18 0.14 -0.51 4.01 3.27 2c49A1 TYR 67 H -0.19 0.51 0.10 -0.55 8.29 8.16 2c49A1 TYR 67 HA 0.09 0.19 0.56 -0.75 4.56 4.65 2c49A1 TYR 67 HB2 0.05 0.06 0.01 -0.04 3.06 3.15 2c49A1 TYR 67 HB3 0.06 0.05 -0.20 -0.04 2.98 2.85 2c49A1 TYR 67 HD2 0.06 -0.04 -0.56 -0.04 7.15 6.57 2c49A1 TYR 67 HE2 0.06 0.11 -0.16 -0.04 6.85 6.81 2c49A1 ASP 68 H -0.20 -0.07 -0.25 -0.55 8.40 7.34 2c49A1 ASP 68 HA 0.17 0.28 0.76 -0.75 4.63 5.08 2c49A1 ASP 68 HB2 0.08 0.02 0.15 -0.04 2.71 2.92 2c49A1 ASP 68 HB3 0.16 0.08 0.06 -0.04 2.70 2.96 2c49A1 PHE 69 H 0.24 0.33 -0.53 -0.55 8.34 7.83 2c49A1 PHE 69 HA 0.07 0.02 0.44 -0.75 4.62 4.40 2c49A1 PHE 69 HB2 -0.06 -0.12 -0.19 -0.04 3.15 2.73 2c49A1 PHE 69 HB3 0.02 0.07 0.01 -0.04 3.06 3.11 2c49A1 PHE 69 HD2 0.01 0.06 -0.08 -0.04 7.28 7.22 2c49A1 PHE 69 HE2 -0.30 0.04 -0.09 -0.04 7.38 6.99 2c49A1 PHE 69 HZ -0.55 0.07 -0.18 -0.04 7.32 6.62 2c49A1 LYS 70 H 0.48 0.22 0.08 -0.55 8.42 8.66 2c49A1 LYS 70 HA 0.19 -0.00 0.46 -0.75 4.32 4.22 2c49A1 LYS 70 HB2 -0.10 0.03 0.14 -0.04 1.87 1.90 2c49A1 LYS 70 HB3 0.04 0.05 0.13 -0.04 1.79 1.96 2c49A1 LYS 70 HG2 -0.09 0.03 -0.06 -0.04 1.46 1.30 2c49A1 LYS 70 HG3 -0.11 -0.05 0.03 -0.04 1.46 1.29 2c49A1 LYS 70 HD2 -0.37 0.02 0.02 -0.04 1.69 1.32 2c49A1 LYS 70 HD3 -0.23 0.03 0.00 -0.04 1.68 1.44 2c49A1 LYS 70 HE2 -1.54 -0.06 0.02 -0.04 2.99 1.36 2c49A1 LYS 70 HE3 -0.76 0.06 0.01 -0.04 2.99 2.26 2c49A1 ASN 71 H 0.03 0.09 0.22 -0.55 8.53 8.32 2c49A1 ASN 71 HA -0.01 0.01 0.35 -0.75 4.76 4.35 2c49A1 ASN 71 HB2 0.00 0.16 -0.10 -0.04 2.88 2.91 2c49A1 ASN 71 HB3 -0.00 -0.01 0.21 -0.04 2.79 2.95 2c49A1 ASN 71 HD21 -0.03 0.02 -0.04 -0.04 7.03 6.94 2c49A1 ASN 71 HD22 -0.02 0.04 -0.12 -0.04 7.74 7.60 2c49A1 SER 72 H -0.08 0.67 -0.28 -0.55 8.46 8.23 2c49A1 SER 72 HA -0.02 0.31 0.93 -0.75 4.49 4.95 2c49A1 SER 72 HB2 -0.05 0.06 -0.23 -0.04 3.95 3.69 2c49A1 SER 72 HB3 -0.07 -0.21 0.07 -0.04 3.93 3.68 2c49A1 GLY 73 H -0.02 0.18 0.12 -0.55 8.43 8.16 2c49A1 GLY 73 HA2 0.01 0.15 0.34 -0.51 4.01 4.00 2c49A1 GLY 73 HA3 0.04 0.09 0.31 -0.51 4.01 3.94 2c49A1 TYR 74 H -0.04 0.09 -0.10 -0.55 8.29 7.68 2c49A1 TYR 74 HA -0.75 0.11 0.42 -0.75 4.56 3.59 2c49A1 TYR 74 HB2 -0.14 -0.01 0.08 -0.04 3.06 2.96 2c49A1 TYR 74 HB3 -0.75 0.03 0.02 -0.04 2.98 2.24 2c49A1 TYR 74 HD2 -0.08 -0.01 0.02 -0.04 7.15 7.04 2c49A1 TYR 74 HE2 0.12 0.13 -0.00 -0.04 6.85 7.06 2c49A1 GLU 75 H -0.57 0.11 -0.27 -0.55 8.60 7.32 2c49A1 GLU 75 HA -0.10 0.05 0.32 -0.75 4.29 3.81 2c49A1 GLU 75 HB2 -0.50 0.03 0.03 -0.04 2.09 1.61 2c49A1 GLU 75 HB3 -0.14 0.10 0.11 -0.04 1.99 2.01 2c49A1 GLU 75 HG2 0.08 0.03 -0.13 -0.04 2.34 2.27 2c49A1 GLU 75 HG3 0.31 0.01 -0.02 -0.04 2.34 2.61 2c49A1 ARG 76 H -0.06 0.44 -0.20 -0.55 8.46 8.09 2c49A1 ARG 76 HA 0.01 0.03 0.32 -0.75 4.34 3.94 2c49A1 ARG 76 HB2 -0.00 0.14 0.08 -0.04 1.90 2.08 2c49A1 ARG 76 HB3 0.03 0.03 -0.03 -0.04 1.80 1.80 2c49A1 ARG 76 HG2 0.01 -0.03 0.04 -0.04 1.67 1.65 2c49A1 ARG 76 HG3 0.00 0.02 -0.02 -0.04 1.67 1.63 2c49A1 ARG 76 HD2 0.01 0.01 -0.02 -0.04 3.22 3.17 2c49A1 ARG 76 HD3 0.02 0.01 -0.03 -0.04 3.22 3.18 2c49A1 TYR 77 H 0.10 0.39 -0.28 -0.55 8.29 7.94 2c49A1 TYR 77 HA -0.02 0.05 0.44 -0.75 4.56 4.28 2c49A1 TYR 77 HB2 -0.07 -0.00 0.10 -0.04 3.06 3.04 2c49A1 TYR 77 HB3 -0.25 0.11 0.23 -0.04 2.98 3.02 2c49A1 TYR 77 HD2 -0.01 0.02 -0.03 -0.04 7.15 7.09 2c49A1 TYR 77 HE2 0.11 0.01 -0.07 -0.04 6.85 6.86 2c49A1 LEU 78 H 0.12 0.51 -0.04 -0.55 8.37 8.41 2c49A1 LEU 78 HA -0.15 0.05 0.52 -0.75 4.35 4.01 2c49A1 LEU 78 HB2 0.07 0.07 0.14 -0.04 1.64 1.88 2c49A1 LEU 78 HB3 0.03 -0.00 -0.02 -0.04 1.64 1.61 2c49A1 LEU 78 HG 0.29 0.09 0.04 -0.04 1.64 2.02 2c49A1 LEU 78 HD13 -0.04 -0.04 -0.09 -0.04 0.93 0.72 2c49A1 LEU 78 HD23 0.13 -0.00 -0.06 -0.04 0.89 0.91 2c49A1 LYS 79 H 0.01 0.54 -0.13 -0.55 8.42 8.29 2c49A1 LYS 79 HA 0.00 0.06 0.42 -0.75 4.32 4.04 2c49A1 LYS 79 HB2 0.01 0.05 0.15 -0.04 1.87 2.04 2c49A1 LYS 79 HB3 0.01 -0.02 0.01 -0.04 1.79 1.75 2c49A1 LYS 79 HG2 0.03 -0.03 0.02 -0.04 1.46 1.45 2c49A1 LYS 79 HG3 0.05 0.01 0.03 -0.04 1.46 1.51 2c49A1 LYS 79 HD2 0.05 -0.06 -0.04 -0.04 1.69 1.61 2c49A1 LYS 79 HD3 0.03 -0.04 -0.14 -0.04 1.68 1.50 2c49A1 LYS 79 HE2 0.01 0.05 -0.02 -0.04 2.99 2.98 2c49A1 LYS 79 HE3 0.02 0.00 -0.01 -0.04 2.99 2.95 2c49A1 ASN 80 H -0.03 0.60 -0.09 -0.55 8.53 8.47 2c49A1 ASN 80 HA -0.02 0.01 0.47 -0.75 4.76 4.47 2c49A1 ASN 80 HB2 -0.04 0.07 0.17 -0.04 2.88 3.04 2c49A1 ASN 80 HB3 -0.03 -0.03 0.03 -0.04 2.79 2.72 2c49A1 ASN 80 HD21 0.02 -0.07 -0.03 -0.04 7.03 6.91 2c49A1 ASN 80 HD22 0.03 -0.02 -0.03 -0.04 7.74 7.68 2c49A1 LEU 81 H -0.14 0.30 -0.44 -0.55 8.37 7.55 2c49A1 LEU 81 HA -0.09 0.09 0.53 -0.75 4.35 4.12 2c49A1 LEU 81 HB2 -0.19 0.05 0.17 -0.04 1.64 1.63 2c49A1 LEU 81 HB3 -0.11 -0.04 0.10 -0.04 1.64 1.54 2c49A1 LEU 81 HG -0.41 0.10 0.03 -0.04 1.64 1.32 2c49A1 LEU 81 HD13 -0.46 -0.04 -0.04 -0.04 0.93 0.35 2c49A1 LEU 81 HD23 -0.11 0.01 -0.02 -0.04 0.89 0.72 2c49A1 ASP 82 H -0.04 0.51 -0.54 -0.55 8.40 7.79 2c49A1 ASP 82 HA -0.01 0.01 0.26 -0.75 4.63 4.13 2c49A1 ASP 82 HB2 -0.02 0.22 0.19 -0.04 2.71 3.06 2c49A1 ASP 82 HB3 -0.01 -0.11 0.22 -0.04 2.70 2.77 2c49A1 ILE 83 H -0.02 0.35 -0.21 -0.55 8.25 7.82 2c49A1 ILE 83 HA 0.00 0.19 0.76 -0.75 4.18 4.38 2c49A1 ILE 83 HB -0.01 -0.01 0.02 -0.04 1.89 1.84 2c49A1 ILE 83 HG12 0.00 0.05 -0.09 -0.04 1.49 1.41 2c49A1 ILE 83 HG13 -0.03 0.13 -0.24 -0.04 1.21 1.03 2c49A1 ILE 83 HG23 0.02 -0.03 -0.35 -0.04 0.93 0.53 2c49A1 ILE 83 HD13 -0.02 -0.04 -0.13 -0.04 0.88 0.65 2c49A1 ASN 84 H 0.02 0.56 0.32 -0.55 8.53 8.88 2c49A1 ASN 84 HA 0.03 0.03 0.48 -0.75 4.76 4.55 2c49A1 ASN 84 HB2 0.03 0.13 0.17 -0.04 2.88 3.17 2c49A1 ASN 84 HB3 0.04 -0.06 0.33 -0.04 2.79 3.07 2c49A1 ASN 84 HD21 0.03 0.01 -0.01 -0.04 7.03 7.02 2c49A1 ASN 84 HD22 0.03 0.07 -0.00 -0.04 7.74 7.80 2c49A1 ILE 85 H 0.04 0.24 0.23 -0.55 8.25 8.21 2c49A1 ILE 85 HA 0.03 0.23 0.94 -0.75 4.18 4.63 2c49A1 ILE 85 HB 0.06 -0.08 0.16 -0.04 1.89 1.99 2c49A1 ILE 85 HG12 0.06 0.18 0.01 -0.04 1.49 1.70 2c49A1 ILE 85 HG13 0.09 0.00 -0.06 -0.04 1.21 1.20 2c49A1 ILE 85 HG23 0.03 0.04 -0.22 -0.04 0.93 0.74 2c49A1 ILE 85 HD13 0.18 -0.02 -0.01 -0.04 0.88 0.99 2c49A1 SER 86 H 0.05 0.10 -0.13 -0.55 8.46 7.93 2c49A1 SER 86 HA 0.06 0.10 0.31 -0.75 4.49 4.21 2c49A1 SER 86 HB2 0.03 0.05 0.09 -0.04 3.95 4.08 2c49A1 SER 86 HB3 0.03 -0.02 0.10 -0.04 3.93 4.00 2c49A1 LYS 87 H 0.05 0.08 -0.27 -0.55 8.42 7.72 2c49A1 LYS 87 HA 0.05 0.18 0.63 -0.75 4.32 4.43 2c49A1 LYS 87 HB2 0.08 0.08 0.01 -0.04 1.87 2.00 2c49A1 LYS 87 HB3 0.08 -0.01 0.12 -0.04 1.79 1.94 2c49A1 LYS 87 HG2 0.04 0.05 -0.01 -0.04 1.46 1.50 2c49A1 LYS 87 HG3 0.05 -0.08 -0.09 -0.04 1.46 1.30 2c49A1 LYS 87 HD2 0.11 -0.04 -0.10 -0.04 1.69 1.61 2c49A1 LYS 87 HD3 0.14 0.01 -0.08 -0.04 1.68 1.71 2c49A1 LYS 87 HE2 0.16 -0.04 -0.05 -0.04 2.99 3.02 2c49A1 LYS 87 HE3 0.00 0.10 -0.02 -0.04 2.99 3.04 2c49A1 LEU 88 H 0.05 0.33 -0.30 -0.55 8.37 7.90 2c49A1 LEU 88 HA -0.08 -0.07 0.46 -0.75 4.35 3.91 2c49A1 LEU 88 HB2 -0.08 0.02 0.01 -0.04 1.64 1.54 2c49A1 LEU 88 HB3 -0.48 -0.05 -0.03 -0.04 1.64 1.04 2c49A1 LEU 88 HG -0.04 0.18 0.12 -0.04 1.64 1.86 2c49A1 LEU 88 HD13 -0.33 -0.04 -0.05 -0.04 0.93 0.47 2c49A1 LEU 88 HD23 -0.18 -0.03 -0.13 -0.04 0.89 0.52 2c49A1 TYR 89 H -0.11 0.48 0.37 -0.55 8.29 8.48 2c49A1 TYR 89 HA -0.04 0.22 0.96 -0.75 4.56 4.95 2c49A1 TYR 89 HB2 -0.15 0.11 0.02 -0.04 3.06 3.00 2c49A1 TYR 89 HB3 -0.29 -0.13 0.15 -0.04 2.98 2.67 2c49A1 TYR 89 HD2 -0.20 -0.03 -0.16 -0.04 7.15 6.72 2c49A1 TYR 89 HE2 -0.70 -0.07 -0.08 -0.04 6.85 5.95 2c49A1 TYR 90 H -0.21 0.27 0.09 -0.55 8.29 7.90 2c49A1 TYR 90 HA -0.21 0.13 0.80 -0.75 4.56 4.54 2c49A1 TYR 90 HB2 -0.23 0.02 0.11 -0.04 3.06 2.92 2c49A1 TYR 90 HB3 -0.11 0.08 -0.04 -0.04 2.98 2.87 2c49A1 TYR 90 HD2 -0.05 0.00 -0.05 -0.04 7.15 7.01 2c49A1 TYR 90 HE2 0.15 0.03 -0.16 -0.04 6.85 6.83 2c49A1 SER 91 H -0.06 0.61 0.28 -0.55 8.46 8.74 2c49A1 SER 91 HA -0.18 0.11 0.52 -0.75 4.49 4.18 2c49A1 SER 91 HB2 0.23 0.10 0.11 -0.04 3.95 4.35 2c49A1 SER 91 HB3 0.10 0.04 0.14 -0.04 3.93 4.17 2c49A1 GLU 92 H 0.09 0.12 0.19 -0.55 8.60 8.45 2c49A1 GLU 92 HA 0.09 0.30 1.01 -0.75 4.29 4.94 2c49A1 GLU 92 HB2 0.04 0.03 0.15 -0.04 2.09 2.28 2c49A1 GLU 92 HB3 0.01 0.08 0.03 -0.04 1.99 2.07 2c49A1 GLU 92 HG2 0.06 0.00 0.06 -0.04 2.34 2.42 2c49A1 GLU 92 HG3 0.09 -0.04 -0.06 -0.04 2.34 2.29 2c49A1 GLU 93 H 0.23 -0.19 0.09 -0.55 8.60 8.18 2c49A1 GLU 93 HA 0.22 0.27 0.88 -0.75 4.29 4.90 2c49A1 GLU 93 HB2 0.16 -0.06 -0.02 -0.04 2.09 2.12 2c49A1 GLU 93 HB3 0.14 0.01 -0.01 -0.04 1.99 2.09 2c49A1 GLU 93 HG2 0.06 0.01 0.02 -0.04 2.34 2.40 2c49A1 GLU 93 HG3 0.08 0.18 -0.28 -0.04 2.34 2.28 2c49A1 GLU 94 H 0.24 -0.09 0.11 -0.55 8.60 8.31 2c49A1 GLU 94 HA 0.13 0.24 0.87 -0.75 4.29 4.77 2c49A1 GLU 94 HB2 0.14 -0.03 -0.01 -0.04 2.09 2.15 2c49A1 GLU 94 HB3 0.03 -0.04 -0.20 -0.04 1.99 1.74 2c49A1 GLU 94 HG2 0.11 -0.05 -0.07 -0.04 2.34 2.29 2c49A1 GLU 94 HG3 -0.06 0.07 -0.17 -0.04 2.34 2.14 2c49A1 GLU 95 H -0.08 0.17 0.14 -0.55 8.60 8.29 2c49A1 GLU 95 HA -0.74 -0.05 0.79 -0.75 4.29 3.54 2c49A1 GLU 95 HB2 -0.41 0.01 0.12 -0.04 2.09 1.77 2c49A1 GLU 95 HB3 -0.18 0.04 0.10 -0.04 1.99 1.91 2c49A1 GLU 95 HG2 -0.03 -0.13 -0.06 -0.04 2.34 2.07 2c49A1 GLU 95 HG3 -0.08 0.36 -0.10 -0.04 2.34 2.48 2c49A1 THR 96 H -0.18 0.06 0.17 -0.55 8.28 7.78 2c49A1 THR 96 HA -0.11 0.08 0.61 -0.75 4.39 4.21 2c49A1 THR 96 HB 0.02 0.01 0.15 -0.04 4.32 4.46 2c49A1 THR 96 HG23 0.06 0.06 0.05 -0.04 1.22 1.34 2c49A1 PRO 97 HA -0.24 0.14 0.50 -0.51 4.44 4.34 2c49A1 PRO 97 HB2 -0.10 -0.06 0.05 -0.04 2.28 2.12 2c49A1 PRO 97 HB3 -0.53 0.07 0.15 -0.04 2.02 1.67 2c49A1 PRO 97 HG2 -0.02 -0.02 0.22 -0.04 2.03 2.17 2c49A1 PRO 97 HG3 -0.18 0.13 0.20 -0.04 2.03 2.13 2c49A1 PRO 97 HD2 -0.09 0.29 0.43 -0.04 3.68 4.27 2c49A1 PRO 97 HD3 -0.13 0.03 0.36 -0.04 3.65 3.87 2c49A1 LYS 98 H -0.44 0.40 0.36 -0.55 8.42 8.19 2c49A1 LYS 98 HA -0.19 0.24 1.10 -0.75 4.32 4.72 2c49A1 LYS 98 HB2 0.08 -0.08 0.09 -0.04 1.87 1.92 2c49A1 LYS 98 HB3 -0.48 0.03 -0.01 -0.04 1.79 1.29 2c49A1 LYS 98 HG2 -0.22 0.01 0.04 -0.04 1.46 1.25 2c49A1 LYS 98 HG3 -0.09 0.12 -0.32 -0.04 1.46 1.13 2c49A1 LYS 98 HD2 0.09 -0.01 -0.04 -0.04 1.69 1.68 2c49A1 LYS 98 HD3 0.16 -0.01 -0.04 -0.04 1.68 1.76 2c49A1 LYS 98 HE2 0.08 -0.00 -0.02 -0.04 2.99 3.01 2c49A1 LYS 98 HE3 -0.04 -0.01 -0.02 -0.04 2.99 2.88 2c49A1 ALA 99 H -0.23 0.62 0.42 -0.55 8.40 8.66 2c49A1 ALA 99 HA 0.37 0.31 1.18 -0.75 4.34 5.45 2c49A1 ALA 99 HB3 0.31 -0.03 -0.03 -0.04 1.41 1.62 2c49A1 TRP 100 H 0.76 0.72 0.41 -0.55 7.97 9.32 2c49A1 TRP 100 HA 0.26 0.16 0.96 -0.75 4.62 5.25 2c49A1 TRP 100 HB2 0.44 -0.04 0.22 -0.04 3.23 3.81 2c49A1 TRP 100 HB3 0.45 0.04 0.01 -0.04 3.23 3.69 2c49A1 TRP 100 HD1 0.28 0.02 -0.03 -0.04 7.22 7.46 2c49A1 TRP 100 HE1 -0.28 0.03 -0.05 -0.04 10.20 9.86 2c49A1 TRP 100 HE3 0.21 0.09 -0.16 -0.04 7.59 7.69 2c49A1 TRP 100 HZ2 0.16 0.03 -0.06 -0.04 7.44 7.52 2c49A1 TRP 100 HZ3 0.06 -0.03 -0.13 -0.04 7.13 6.98 2c49A1 TRP 100 HH2 0.10 -0.00 -0.06 -0.04 7.19 7.19 2c49A1 ILE 101 H 0.01 0.62 0.28 -0.55 8.25 8.61 2c49A1 ILE 101 HA 0.26 0.24 1.00 -0.75 4.18 4.92 2c49A1 ILE 101 HB -0.03 0.03 0.24 -0.04 1.89 2.09 2c49A1 ILE 101 HG12 0.14 0.01 -0.12 -0.04 1.49 1.48 2c49A1 ILE 101 HG13 0.14 -0.11 -0.39 -0.04 1.21 0.81 2c49A1 ILE 101 HG23 0.07 -0.01 -0.13 -0.04 0.93 0.83 2c49A1 ILE 101 HD13 0.04 -0.02 -0.10 -0.04 0.88 0.75 2c49A1 PHE 102 H 0.44 0.64 0.41 -0.55 8.34 9.28 2c49A1 PHE 102 HA 0.37 0.27 1.06 -0.75 4.62 5.56 2c49A1 PHE 102 HB2 0.26 -0.07 0.11 -0.04 3.15 3.41 2c49A1 PHE 102 HB3 0.39 0.04 -0.06 -0.04 3.06 3.38 2c49A1 PHE 102 HD2 0.32 0.07 -0.14 -0.04 7.28 7.48 2c49A1 PHE 102 HE2 0.04 0.01 -0.16 -0.04 7.38 7.23 2c49A1 PHE 102 HZ -0.13 0.00 -0.11 -0.04 7.32 7.04 2c49A1 THR 103 H 0.31 0.84 0.42 -0.55 8.28 9.30 2c49A1 THR 103 HA 0.29 0.28 1.06 -0.75 4.39 5.26 2c49A1 THR 103 HB 0.11 0.01 0.20 -0.04 4.32 4.61 2c49A1 THR 103 HG23 0.08 0.06 -0.04 -0.04 1.22 1.27 2c49A1 ASP 104 H 0.05 0.52 0.19 -0.55 8.40 8.60 2c49A1 ASP 104 HA -0.13 0.43 0.62 -0.75 4.63 4.79 2c49A1 ASP 104 HB2 -0.49 0.13 -0.03 -0.04 2.71 2.28 2c49A1 ASP 104 HB3 -1.49 -0.05 -0.11 -0.04 2.70 1.02 2c49A1 LYS 105 H -0.12 0.51 0.29 -0.55 8.42 8.54 2c49A1 LYS 105 HA -0.02 0.12 0.35 -0.75 4.32 4.02 2c49A1 LYS 105 HB2 -0.02 -0.00 0.18 -0.04 1.87 1.98 2c49A1 LYS 105 HB3 -0.04 0.03 0.31 -0.04 1.79 2.05 2c49A1 LYS 105 HG2 -0.07 -0.08 0.14 -0.04 1.46 1.41 2c49A1 LYS 105 HG3 -0.03 -0.01 -0.17 -0.04 1.46 1.21 2c49A1 LYS 105 HD2 -0.02 -0.01 0.03 -0.04 1.69 1.64 2c49A1 LYS 105 HD3 -0.04 0.01 0.07 -0.04 1.68 1.68 2c49A1 LYS 105 HE2 -0.05 -0.03 0.02 -0.04 2.99 2.90 2c49A1 LYS 105 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 2c49A1 ASP 106 H -0.07 0.01 -0.28 -0.55 8.40 7.51 2c49A1 ASP 106 HA -0.01 0.24 0.75 -0.75 4.63 4.87 2c49A1 ASP 106 HB2 -0.02 -0.09 0.05 -0.04 2.71 2.61 2c49A1 ASP 106 HB3 0.00 0.04 0.16 -0.04 2.70 2.86 2c49A1 ASN 107 H -0.00 0.47 -0.39 -0.55 8.53 8.07 2c49A1 ASN 107 HA 0.05 0.17 0.27 -0.75 4.76 4.49 2c49A1 ASN 107 HB2 0.03 0.04 -0.02 -0.04 2.88 2.89 2c49A1 ASN 107 HB3 0.04 -0.10 0.14 -0.04 2.79 2.83 2c49A1 ASN 107 HD21 0.01 0.07 -0.10 -0.04 7.03 6.97 2c49A1 ASN 107 HD22 0.01 -0.03 -0.17 -0.04 7.74 7.51 2c49A1 ASN 108 H 0.04 -0.04 -0.57 -0.55 8.53 7.41 2c49A1 ASN 108 HA 0.14 0.10 0.74 -0.75 4.76 4.98 2c49A1 ASN 108 HB2 0.14 -0.10 -0.01 -0.04 2.88 2.86 2c49A1 ASN 108 HB3 0.28 0.04 0.03 -0.04 2.79 3.11 2c49A1 ASN 108 HD21 0.04 0.06 -0.01 -0.04 7.03 7.08 2c49A1 ASN 108 HD22 -0.02 -0.09 -0.02 -0.04 7.74 7.57 2c49A1 GLN 109 H 0.15 0.18 0.17 -0.55 8.47 8.42 2c49A1 GLN 109 HA 0.38 0.39 1.05 -0.75 4.36 5.43 2c49A1 GLN 109 HB2 0.10 -0.10 0.01 -0.04 2.15 2.11 2c49A1 GLN 109 HB3 0.14 0.03 0.03 -0.04 2.02 2.18 2c49A1 GLN 109 HG2 0.17 0.11 -0.16 -0.04 2.40 2.47 2c49A1 GLN 109 HG3 0.12 0.06 -0.36 -0.04 2.39 2.17 2c49A1 GLN 109 HE21 0.04 -0.15 -0.11 -0.04 6.97 6.71 2c49A1 GLN 109 HE22 0.09 0.09 -0.18 -0.04 7.69 7.65 2c49A1 ILE 110 H 0.12 0.51 0.37 -0.55 8.25 8.69 2c49A1 ILE 110 HA -0.16 0.15 0.83 -0.75 4.18 4.24 2c49A1 ILE 110 HB -0.41 0.05 0.11 -0.04 1.89 1.60 2c49A1 ILE 110 HG12 -0.34 -0.02 0.06 -0.04 1.49 1.16 2c49A1 ILE 110 HG13 0.06 -0.02 -0.11 -0.04 1.21 1.10 2c49A1 ILE 110 HG23 -0.83 0.00 -0.13 -0.04 0.93 -0.07 2c49A1 ILE 110 HD13 -0.49 0.01 -0.06 -0.04 0.88 0.30 2c49A1 THR 111 H -0.14 0.25 0.23 -0.55 8.28 8.07 2c49A1 THR 111 HA 0.30 0.40 1.05 -0.75 4.39 5.39 2c49A1 THR 111 HB 0.26 0.02 0.05 -0.04 4.32 4.61 2c49A1 THR 111 HG23 0.10 -0.01 -0.23 -0.04 1.22 1.04 2c49A1 PHE 112 H 0.63 0.60 0.39 -0.55 8.34 9.40 2c49A1 PHE 112 HA 0.21 0.15 0.80 -0.75 4.62 5.02 2c49A1 PHE 112 HB2 0.38 -0.06 0.19 -0.04 3.15 3.62 2c49A1 PHE 112 HB3 0.13 0.02 0.06 -0.04 3.06 3.23 2c49A1 PHE 112 HD2 0.29 0.05 -0.02 -0.04 7.28 7.57 2c49A1 PHE 112 HE2 -0.18 0.01 -0.08 -0.04 7.38 7.09 2c49A1 PHE 112 HZ -0.18 0.04 -0.07 -0.04 7.32 7.06 2c49A1 PHE 113 H 0.41 0.28 0.14 -0.55 8.34 8.62 2c49A1 PHE 113 HA 0.33 0.28 1.11 -0.75 4.62 5.59 2c49A1 PHE 113 HB2 0.18 -0.04 -0.18 -0.04 3.15 3.07 2c49A1 PHE 113 HB3 0.22 0.02 0.06 -0.04 3.06 3.32 2c49A1 PHE 113 HD2 0.25 -0.02 -0.19 -0.04 7.28 7.28 2c49A1 PHE 113 HE2 -0.43 -0.05 -0.16 -0.04 7.38 6.70 2c49A1 PHE 113 HZ -0.77 -0.04 -0.09 -0.04 7.32 6.38 2c49A1 LEU 114 H -0.08 0.79 0.38 -0.55 8.37 8.91 2c49A1 LEU 114 HA 0.14 0.10 0.81 -0.75 4.35 4.64 2c49A1 LEU 114 HB2 0.35 0.09 0.16 -0.04 1.64 2.20 2c49A1 LEU 114 HB3 0.05 -0.08 0.19 -0.04 1.64 1.76 2c49A1 LEU 114 HG 0.10 -0.08 0.03 -0.04 1.64 1.66 2c49A1 LEU 114 HD13 0.08 0.02 0.03 -0.04 0.93 1.02 2c49A1 LEU 114 HD23 0.21 0.02 0.00 -0.04 0.89 1.08 2c49A1 TRP 115 H 0.30 0.19 0.20 -0.55 7.97 8.11 2c49A1 TRP 115 HA 0.05 0.05 0.22 -0.75 4.62 4.19 2c49A1 TRP 115 HB2 0.11 0.08 0.12 -0.04 3.23 3.50 2c49A1 TRP 115 HB3 0.06 0.03 0.04 -0.04 3.23 3.32 2c49A1 TRP 115 HD1 0.07 0.03 -0.22 -0.04 7.22 7.06 2c49A1 TRP 115 HE1 0.15 0.14 -0.25 -0.04 10.20 10.19 2c49A1 TRP 115 HE3 0.42 0.01 -0.08 -0.04 7.59 7.90 2c49A1 TRP 115 HZ2 0.11 -0.03 -0.08 -0.04 7.44 7.40 2c49A1 TRP 115 HZ3 0.25 -0.03 -0.02 -0.04 7.13 7.28 2c49A1 TRP 115 HH2 0.17 0.08 -0.25 -0.04 7.19 7.14 2c49A1 GLY 116 H 0.17 0.05 0.01 -0.55 8.43 8.11 2c49A1 GLY 116 HA2 0.06 0.02 0.34 -0.51 4.01 3.92 2c49A1 GLY 116 HA3 -0.02 0.21 0.20 -0.51 4.01 3.89 2c49A1 ALA 117 H -0.07 0.60 0.16 -0.55 8.40 8.54 2c49A1 ALA 117 HA 0.07 -0.04 0.21 -0.75 4.34 3.83 2c49A1 ALA 117 HB3 -0.04 0.05 -0.29 -0.04 1.41 1.09 2c49A1 ALA 118 H -0.25 0.60 -0.23 -0.55 8.40 7.98 2c49A1 ALA 118 HA -0.45 0.03 0.56 -0.75 4.34 3.72 2c49A1 ALA 118 HB3 -0.84 -0.00 0.15 -0.04 1.41 0.68 2c49A1 LYS 119 H 0.04 0.56 -0.30 -0.55 8.42 8.16 2c49A1 LYS 119 HA 0.36 0.04 0.58 -0.75 4.32 4.55 2c49A1 LYS 119 HB2 0.05 0.01 0.06 -0.04 1.87 1.94 2c49A1 LYS 119 HB3 0.20 0.01 0.08 -0.04 1.79 2.04 2c49A1 LYS 119 HG2 -0.11 -0.03 -0.06 -0.04 1.46 1.22 2c49A1 LYS 119 HG3 -0.28 -0.05 -0.05 -0.04 1.46 1.04 2c49A1 LYS 119 HD2 -0.61 0.04 -0.64 -0.04 1.69 0.44 2c49A1 LYS 119 HD3 -0.18 0.01 -0.17 -0.04 1.68 1.30 2c49A1 LYS 119 HE2 -0.23 -0.02 -0.08 -0.04 2.99 2.62 2c49A1 LYS 119 HE3 -1.33 -0.07 -0.08 -0.04 2.99 1.48 2c49A1 HIS 120 H -0.13 0.61 -0.23 -0.55 8.41 8.12 2c49A1 HIS 120 HA -0.15 0.09 0.36 -0.75 4.63 4.18 2c49A1 HIS 120 HB2 -0.41 0.17 0.13 -0.04 3.26 3.11 2c49A1 HIS 120 HB3 -0.84 0.02 0.03 -0.04 3.20 2.36 2c49A1 HIS 120 HD2 0.05 0.02 0.08 -0.04 6.97 7.07 2c49A1 HIS 120 HE1 0.11 0.03 -0.00 -0.04 7.75 7.84 2c49A1 TYR 121 H -0.11 0.32 -0.41 -0.55 8.29 7.54 2c49A1 TYR 121 HA -0.41 0.08 0.20 -0.75 4.56 3.67 2c49A1 TYR 121 HB2 -0.00 0.09 0.13 -0.04 3.06 3.23 2c49A1 TYR 121 HB3 -0.11 -0.03 0.02 -0.04 2.98 2.82 2c49A1 TYR 121 HD2 -0.93 0.21 0.09 -0.04 7.15 6.48 2c49A1 TYR 121 HE2 -0.45 0.03 -0.01 -0.04 6.85 6.37 2c49A1 LYS 122 H 0.11 0.27 -0.33 -0.55 8.42 7.91 2c49A1 LYS 122 HA 0.13 0.05 0.38 -0.75 4.32 4.12 2c49A1 LYS 122 HB2 0.06 0.03 0.06 -0.04 1.87 1.98 2c49A1 LYS 122 HB3 0.09 -0.09 0.10 -0.04 1.79 1.85 2c49A1 LYS 122 HG2 0.11 0.05 0.12 -0.04 1.46 1.70 2c49A1 LYS 122 HG3 0.04 0.03 0.01 -0.04 1.46 1.50 2c49A1 LYS 122 HD2 0.04 -0.01 0.02 -0.04 1.69 1.70 2c49A1 LYS 122 HD3 0.07 -0.06 0.05 -0.04 1.68 1.69 2c49A1 LYS 122 HE2 0.11 -0.08 0.07 -0.04 2.99 3.05 2c49A1 LYS 122 HE3 0.13 0.18 0.21 -0.04 2.99 3.47 2c49A1 GLU 123 H -0.02 0.55 -0.46 -0.55 8.60 8.13 2c49A1 GLU 123 HA 0.03 0.13 0.72 -0.75 4.29 4.41 2c49A1 GLU 123 HB2 -0.09 0.11 0.05 -0.04 2.09 2.12 2c49A1 GLU 123 HB3 -0.00 -0.04 0.11 -0.04 1.99 2.02 2c49A1 GLU 123 HG2 0.03 -0.00 -0.04 -0.04 2.34 2.29 2c49A1 GLU 123 HG3 0.01 -0.08 -0.13 -0.04 2.34 2.11 2c49A1 LEU 124 H 0.06 0.41 -0.14 -0.55 8.37 8.15 2c49A1 LEU 124 HA 0.04 0.15 0.76 -0.75 4.35 4.54 2c49A1 LEU 124 HB2 -0.08 -0.02 -0.01 -0.04 1.64 1.49 2c49A1 LEU 124 HB3 0.08 0.08 -0.03 -0.04 1.64 1.74 2c49A1 LEU 124 HG -0.38 0.09 -0.20 -0.04 1.64 1.11 2c49A1 LEU 124 HD13 -0.47 -0.04 -0.15 -0.04 0.93 0.23 2c49A1 LEU 124 HD23 -0.22 0.03 -0.11 -0.04 0.89 0.54 2c49A1 ASN 125 H 0.14 0.20 0.16 -0.55 8.53 8.49 2c49A1 ASN 125 HA 0.14 0.16 0.70 -0.75 4.76 5.01 2c49A1 ASN 125 HB2 0.04 -0.03 0.03 -0.04 2.88 2.87 2c49A1 ASN 125 HB3 0.01 0.09 0.07 -0.04 2.79 2.91 2c49A1 ASN 125 HD21 0.04 0.01 -0.19 -0.04 7.03 6.85 2c49A1 ASN 125 HD22 0.04 -0.03 -0.11 -0.04 7.74 7.61 2c49A1 PRO 126 HA 0.07 0.05 0.51 -0.51 4.44 4.55 2c49A1 PRO 126 HB2 -0.24 0.25 -0.05 -0.04 2.28 2.20 2c49A1 PRO 126 HB3 -0.14 -0.09 0.02 -0.04 2.02 1.77 2c49A1 PRO 126 HG2 -0.13 0.09 -0.05 -0.04 2.03 1.90 2c49A1 PRO 126 HG3 -0.23 -0.02 -0.36 -0.04 2.03 1.39 2c49A1 PRO 126 HD2 -0.10 0.09 0.17 -0.04 3.68 3.79 2c49A1 PRO 126 HD3 -0.41 0.09 0.08 -0.04 3.65 3.36 2c49A1 PRO 127 HA -0.15 0.07 0.65 -0.51 4.44 4.50 2c49A1 PRO 127 HB2 -0.20 0.19 0.10 -0.04 2.28 2.33 2c49A1 PRO 127 HB3 -0.10 -0.04 0.11 -0.04 2.02 1.96 2c49A1 PRO 127 HG2 -0.53 0.08 -0.10 -0.04 2.03 1.44 2c49A1 PRO 127 HG3 -0.08 -0.04 0.03 -0.04 2.03 1.90 2c49A1 PRO 127 HD2 -0.21 0.01 0.16 -0.04 3.68 3.60 2c49A1 PRO 127 HD3 0.01 0.13 0.15 -0.04 3.65 3.90 2c49A1 ASN 128 H -0.16 0.04 0.09 -0.55 8.53 7.95 2c49A1 ASN 128 HA -0.18 0.15 0.55 -0.75 4.76 4.52 2c49A1 ASN 128 HB2 -0.07 -0.08 0.08 -0.04 2.88 2.76 2c49A1 ASN 128 HB3 -0.04 0.09 -0.01 -0.04 2.79 2.79 2c49A1 ASN 128 HD21 -0.03 0.01 0.00 -0.04 7.03 6.98 2c49A1 ASN 128 HD22 -0.04 -0.05 0.02 -0.04 7.74 7.63 2c49A1 PHE 129 H 0.06 0.29 0.10 -0.55 8.34 8.23 2c49A1 PHE 129 HA 0.02 0.09 0.77 -0.75 4.62 4.75 2c49A1 PHE 129 HB2 0.01 0.11 0.06 -0.04 3.15 3.28 2c49A1 PHE 129 HB3 0.02 -0.12 -0.02 -0.04 3.06 2.89 2c49A1 PHE 129 HD2 0.01 -0.02 -0.07 -0.04 7.28 7.17 2c49A1 PHE 129 HE2 -0.00 -0.02 -0.05 -0.04 7.38 7.27 2c49A1 PHE 129 HZ -0.03 -0.09 -0.05 -0.04 7.32 7.11 2c49A1 ASN 130 H 0.15 0.11 0.01 -0.55 8.53 8.26 2c49A1 ASN 130 HA 0.07 0.40 0.95 -0.75 4.76 5.43 2c49A1 ASN 130 HB2 0.05 -0.03 0.03 -0.04 2.88 2.89 2c49A1 ASN 130 HB3 0.04 -0.04 0.17 -0.04 2.79 2.92 2c49A1 ASN 130 HD21 0.02 -0.02 -0.13 -0.04 7.03 6.86 2c49A1 ASN 130 HD22 0.03 0.10 -0.01 -0.04 7.74 7.83 2c49A1 THR 131 H 0.13 0.09 -0.23 -0.55 8.28 7.72 2c49A1 THR 131 HA 0.05 0.15 0.65 -0.75 4.39 4.49 2c49A1 THR 131 HB 0.04 0.18 -0.09 -0.04 4.32 4.41 2c49A1 THR 131 HG23 0.08 -0.04 -0.28 -0.04 1.22 0.93 2c49A1 GLU 132 H 0.04 0.43 0.28 -0.55 8.60 8.81 2c49A1 GLU 132 HA 0.04 0.24 0.34 -0.75 4.29 4.15 2c49A1 GLU 132 HB2 0.06 0.00 0.21 -0.04 2.09 2.32 2c49A1 GLU 132 HB3 0.08 -0.04 0.03 -0.04 1.99 2.02 2c49A1 GLU 132 HG2 0.03 0.07 -0.09 -0.04 2.34 2.31 2c49A1 GLU 132 HG3 0.03 0.21 -0.40 -0.04 2.34 2.14 2c49A1 ILE 133 H 0.04 0.24 0.09 -0.55 8.25 8.07 2c49A1 ILE 133 HA -0.01 0.36 1.00 -0.75 4.18 4.77 2c49A1 ILE 133 HB 0.07 -0.07 0.03 -0.04 1.89 1.88 2c49A1 ILE 133 HG12 0.02 0.09 -0.16 -0.04 1.49 1.39 2c49A1 ILE 133 HG13 0.12 -0.05 -0.37 -0.04 1.21 0.87 2c49A1 ILE 133 HG23 0.07 -0.03 -0.31 -0.04 0.93 0.62 2c49A1 ILE 133 HD13 0.22 -0.01 -0.11 -0.04 0.88 0.94 2c49A1 VAL 134 H -0.05 0.90 0.30 -0.55 8.24 8.84 2c49A1 VAL 134 HA -0.15 0.09 0.92 -0.75 4.13 4.23 2c49A1 VAL 134 HB -0.23 0.07 0.10 -0.04 2.12 2.02 2c49A1 VAL 134 HG13 -0.55 -0.01 -0.21 -0.04 0.97 0.16 2c49A1 VAL 134 HG23 -0.53 0.00 -0.14 -0.04 0.95 0.24 2c49A1 HIS 135 H 0.06 0.96 0.31 -0.55 8.41 9.20 2c49A1 HIS 135 HA 0.05 0.21 1.00 -0.75 4.63 5.13 2c49A1 HIS 135 HB2 0.04 -0.01 -0.09 -0.04 3.26 3.17 2c49A1 HIS 135 HB3 0.01 0.04 0.14 -0.04 3.20 3.35 2c49A1 HIS 135 HD2 -0.00 -0.04 -0.16 -0.04 6.97 6.72 2c49A1 HIS 135 HE1 -0.20 -0.05 -0.21 -0.04 7.75 7.24 2c49A1 ILE 136 H -0.10 0.80 0.35 -0.55 8.25 8.74 2c49A1 ILE 136 HA -0.08 0.15 0.82 -0.75 4.18 4.32 2c49A1 ILE 136 HB 0.20 -0.01 0.25 -0.04 1.89 2.29 2c49A1 ILE 136 HG12 -0.06 -0.04 -0.12 -0.04 1.49 1.23 2c49A1 ILE 136 HG13 -0.07 -0.00 -0.28 -0.04 1.21 0.82 2c49A1 ILE 136 HG23 0.13 -0.02 -0.13 -0.04 0.93 0.86 2c49A1 ILE 136 HD13 -0.12 0.04 -0.07 -0.04 0.88 0.69 2c49A1 ALA 137 H -0.11 0.87 0.30 -0.55 8.40 8.92 2c49A1 ALA 137 HA -0.18 0.19 0.88 -0.75 4.34 4.49 2c49A1 ALA 137 HB3 -0.08 -0.04 -0.17 -0.04 1.41 1.08 2c49A1 THR 138 H -0.04 0.63 0.21 -0.55 8.28 8.54 2c49A1 THR 138 HA 0.07 0.31 0.39 -0.75 4.39 4.40 2c49A1 THR 138 HB 0.14 -0.14 0.30 -0.04 4.32 4.58 2c49A1 THR 138 HG23 0.01 -0.03 -0.04 -0.04 1.22 1.11 2c49A1 GLY 139 H 0.11 0.05 0.20 -0.55 8.43 8.24 2c49A1 GLY 139 HA2 -0.66 -0.03 0.33 -0.51 4.01 3.14 2c49A1 GLY 139 HA3 -0.40 0.16 0.61 -0.51 4.01 3.87 2c49A1 ASP 140 H -0.40 0.11 0.13 -0.55 8.40 7.69 2c49A1 ASP 140 HA 0.32 0.18 0.42 -0.75 4.63 4.80 2c49A1 ASP 140 HB2 0.38 0.09 0.13 -0.04 2.71 3.27 2c49A1 ASP 140 HB3 -0.16 -0.01 0.17 -0.04 2.70 2.66 2c49A1 PRO 141 HA -0.15 0.11 0.32 -0.51 4.44 4.22 2c49A1 PRO 141 HB2 -0.24 -0.01 0.07 -0.04 2.28 2.06 2c49A1 PRO 141 HB3 -0.66 0.03 -0.01 -0.04 2.02 1.34 2c49A1 PRO 141 HG2 -0.49 0.16 -0.14 -0.04 2.03 1.53 2c49A1 PRO 141 HG3 -1.36 0.09 -0.04 -0.04 2.03 0.67 2c49A1 PRO 141 HD2 -0.09 0.07 0.20 -0.04 3.68 3.82 2c49A1 PRO 141 HD3 -0.03 0.22 0.27 -0.04 3.65 4.06 2c49A1 GLU 142 H -0.01 0.12 -0.11 -0.55 8.60 8.05 2c49A1 GLU 142 HA -0.01 0.12 0.39 -0.75 4.29 4.03 2c49A1 GLU 142 HB2 0.01 0.01 0.08 -0.04 2.09 2.15 2c49A1 GLU 142 HB3 0.06 -0.06 0.06 -0.04 1.99 2.02 2c49A1 GLU 142 HG2 0.06 0.08 -0.24 -0.04 2.34 2.20 2c49A1 GLU 142 HG3 0.01 0.01 0.01 -0.04 2.34 2.34 2c49A1 PHE 143 H 0.17 0.01 -0.22 -0.55 8.34 7.75 2c49A1 PHE 143 HA 0.01 0.20 0.47 -0.75 4.62 4.54 2c49A1 PHE 143 HB2 0.07 0.06 -0.00 -0.04 3.15 3.23 2c49A1 PHE 143 HB3 -0.18 -0.07 0.05 -0.04 3.06 2.81 2c49A1 PHE 143 HD2 -0.06 0.13 -0.15 -0.04 7.28 7.16 2c49A1 PHE 143 HE2 0.09 -0.01 -0.37 -0.04 7.38 7.05 2c49A1 PHE 143 HZ 0.13 0.06 -0.20 -0.04 7.32 7.27 2c49A1 ASN 144 H 0.06 0.55 -0.20 -0.55 8.53 8.40 2c49A1 ASN 144 HA -0.07 0.02 0.34 -0.75 4.76 4.30 2c49A1 ASN 144 HB2 0.12 0.08 -0.02 -0.04 2.88 3.01 2c49A1 ASN 144 HB3 0.02 -0.01 -0.13 -0.04 2.79 2.63 2c49A1 ASN 144 HD21 0.08 0.17 -0.40 -0.04 7.03 6.84 2c49A1 ASN 144 HD22 0.38 -0.04 -0.46 -0.04 7.74 7.58 2c49A1 LEU 145 H -0.05 0.40 -0.24 -0.55 8.37 7.93 2c49A1 LEU 145 HA -0.17 0.05 0.49 -0.75 4.35 3.96 2c49A1 LEU 145 HB2 -0.05 0.00 0.09 -0.04 1.64 1.64 2c49A1 LEU 145 HB3 -0.07 0.07 0.13 -0.04 1.64 1.74 2c49A1 LEU 145 HG -0.13 0.03 -0.22 -0.04 1.64 1.28 2c49A1 LEU 145 HD13 -0.14 0.01 -0.12 -0.04 0.93 0.64 2c49A1 LEU 145 HD23 -0.05 -0.02 -0.04 -0.04 0.89 0.74 2c49A1 LYS 146 H -0.14 0.45 -0.14 -0.55 8.42 8.03 2c49A1 LYS 146 HA -0.13 0.03 0.49 -0.75 4.32 3.95 2c49A1 LYS 146 HB2 -0.34 0.13 0.22 -0.04 1.87 1.84 2c49A1 LYS 146 HB3 -0.20 -0.01 0.02 -0.04 1.79 1.56 2c49A1 LYS 146 HG2 -0.07 -0.03 0.06 -0.04 1.46 1.37 2c49A1 LYS 146 HG3 -0.07 0.07 0.10 -0.04 1.46 1.51 2c49A1 LYS 146 HD2 -0.02 -0.01 0.07 -0.04 1.69 1.69 2c49A1 LYS 146 HD3 -0.04 -0.02 0.09 -0.04 1.68 1.67 2c49A1 LYS 146 HE2 0.00 -0.04 -0.01 -0.04 2.99 2.90 2c49A1 LYS 146 HE3 0.03 -0.09 -0.06 -0.04 2.99 2.83 2c49A1 CYS 147 H -0.28 0.41 -0.26 -0.55 8.50 7.82 2c49A1 CYS 147 HA 0.06 0.05 0.37 -0.75 4.58 4.30 2c49A1 CYS 147 HB2 -0.15 0.12 0.16 -0.04 2.97 3.06 2c49A1 CYS 147 HB3 -0.09 -0.04 -0.07 -0.04 2.97 2.73 2c49A1 ALA 148 H -0.15 0.48 -0.08 -0.55 8.40 8.10 2c49A1 ALA 148 HA -0.05 0.01 0.46 -0.75 4.34 4.00 2c49A1 ALA 148 HB3 -0.18 0.04 0.12 -0.04 1.41 1.35 2c49A1 LYS 149 H -0.18 0.55 -0.10 -0.55 8.42 8.13 2c49A1 LYS 149 HA -0.24 0.08 0.52 -0.75 4.32 3.92 2c49A1 LYS 149 HB2 -0.18 0.05 0.12 -0.04 1.87 1.82 2c49A1 LYS 149 HB3 -0.19 -0.04 -0.01 -0.04 1.79 1.51 2c49A1 LYS 149 HG2 -1.18 0.01 0.01 -0.04 1.46 0.26 2c49A1 LYS 149 HG3 -0.48 0.05 0.04 -0.04 1.46 1.02 2c49A1 LYS 149 HD2 -0.21 -0.09 -0.09 -0.04 1.69 1.26 2c49A1 LYS 149 HD3 -0.17 -0.02 -0.05 -0.04 1.68 1.39 2c49A1 LYS 149 HE2 -0.15 0.02 -0.02 -0.04 2.99 2.80 2c49A1 LYS 149 HE3 -0.25 0.03 -0.04 -0.04 2.99 2.69 2c49A1 LYS 150 H -0.03 0.46 -0.21 -0.55 8.42 8.09 2c49A1 LYS 150 HA 0.02 -0.02 0.49 -0.75 4.32 4.06 2c49A1 LYS 150 HB2 -0.00 0.01 0.12 -0.04 1.87 1.96 2c49A1 LYS 150 HB3 0.16 0.16 0.21 -0.04 1.79 2.27 2c49A1 LYS 150 HG2 -0.07 0.06 -0.11 -0.04 1.46 1.31 2c49A1 LYS 150 HG3 0.18 -0.06 -0.24 -0.04 1.46 1.30 2c49A1 LYS 150 HD2 -0.01 -0.08 -0.03 -0.04 1.69 1.53 2c49A1 LYS 150 HD3 -0.01 -0.00 0.03 -0.04 1.68 1.66 2c49A1 LYS 150 HE2 -0.09 0.01 -0.16 -0.04 2.99 2.71 2c49A1 LYS 150 HE3 -0.19 0.12 -0.65 -0.04 2.99 2.23 2c49A1 ALA 151 H 0.10 0.39 -0.16 -0.55 8.40 8.18 2c49A1 ALA 151 HA 0.16 -0.01 0.43 -0.75 4.34 4.16 2c49A1 ALA 151 HB3 -0.00 -0.03 0.04 -0.04 1.41 1.37 2c49A1 TYR 152 H 0.20 0.53 0.02 -0.55 8.29 8.48 2c49A1 TYR 152 HA 0.01 -0.04 0.33 -0.75 4.56 4.11 2c49A1 TYR 152 HB2 0.11 0.25 0.24 -0.04 3.06 3.61 2c49A1 TYR 152 HB3 0.21 -0.01 0.15 -0.04 2.98 3.29 2c49A1 TYR 152 HD2 0.01 -0.04 -0.11 -0.04 7.15 6.97 2c49A1 TYR 152 HE2 -0.07 -0.05 -0.14 -0.04 6.85 6.55 2c49A1 GLY 153 H -0.48 0.11 0.16 -0.55 8.43 7.68 2c49A1 GLY 153 HA2 -0.35 -0.06 0.32 -0.51 4.01 3.41 2c49A1 GLY 153 HA3 -0.23 0.07 0.56 -0.51 4.01 3.90 2c49A1 ASN 154 H -0.06 0.47 -0.10 -0.55 8.53 8.30 2c49A1 ASN 154 HA -0.02 0.09 0.87 -0.75 4.76 4.94 2c49A1 ASN 154 HB2 0.01 -0.02 -0.05 -0.04 2.88 2.78 2c49A1 ASN 154 HB3 0.04 0.00 0.22 -0.04 2.79 3.01 2c49A1 ASN 154 HD21 0.04 -0.04 0.03 -0.04 7.03 7.02 2c49A1 ASN 154 HD22 0.07 -0.05 0.06 -0.04 7.74 7.78 2c49A1 ASN 155 H 0.03 0.32 0.25 -0.55 8.53 8.58 2c49A1 ASN 155 HA 0.00 0.28 0.87 -0.75 4.76 5.16 2c49A1 ASN 155 HB2 -0.02 -0.12 -0.17 -0.04 2.88 2.53 2c49A1 ASN 155 HB3 0.00 0.05 -0.18 -0.04 2.79 2.62 2c49A1 ASN 155 HD21 0.14 0.31 -0.16 -0.04 7.03 7.28 2c49A1 ASN 155 HD22 0.07 0.52 -0.10 -0.04 7.74 8.19 2c49A1 LEU 156 H -0.03 0.64 0.26 -0.55 8.37 8.69 2c49A1 LEU 156 HA -0.11 0.02 0.63 -0.75 4.35 4.14 2c49A1 LEU 156 HB2 -0.08 0.27 0.29 -0.04 1.64 2.08 2c49A1 LEU 156 HB3 -0.29 -0.13 -0.05 -0.04 1.64 1.13 2c49A1 LEU 156 HG -0.04 0.12 0.06 -0.04 1.64 1.74 2c49A1 LEU 156 HD13 -0.53 -0.03 -0.05 -0.04 0.93 0.28 2c49A1 LEU 156 HD23 -0.14 -0.01 0.01 -0.04 0.89 0.71 2c49A1 VAL 157 H -0.04 0.12 0.24 -0.55 8.24 8.02 2c49A1 VAL 157 HA -0.02 0.29 1.04 -0.75 4.13 4.68 2c49A1 VAL 157 HB 0.13 -0.14 0.34 -0.04 2.12 2.40 2c49A1 VAL 157 HG13 0.01 0.01 -0.10 -0.04 0.97 0.86 2c49A1 VAL 157 HG23 0.08 0.09 -0.00 -0.04 0.95 1.08 2c49A1 SER 158 H 0.10 0.81 0.43 -0.55 8.46 9.26 2c49A1 SER 158 HA 0.28 0.25 1.07 -0.75 4.49 5.34 2c49A1 SER 158 HB2 0.37 0.00 -0.01 -0.04 3.95 4.27 2c49A1 SER 158 HB3 0.38 -0.02 0.08 -0.04 3.93 4.33 2c49A1 PHE 159 H 0.39 0.67 0.42 -0.55 8.34 9.27 2c49A1 PHE 159 HA -0.03 0.16 1.07 -0.75 4.62 5.06 2c49A1 PHE 159 HB2 0.02 0.09 -0.19 -0.04 3.15 3.03 2c49A1 PHE 159 HB3 0.05 -0.00 0.10 -0.04 3.06 3.17 2c49A1 PHE 159 HD2 -0.03 0.06 -0.05 -0.04 7.28 7.22 2c49A1 PHE 159 HE2 -0.08 -0.00 -0.14 -0.04 7.38 7.12 2c49A1 PHE 159 HZ -0.57 -0.04 -0.10 -0.04 7.32 6.57 2c49A1 ASP 160 H -0.14 0.74 0.22 -0.55 8.40 8.67 2c49A1 ASP 160 HA -0.24 0.37 0.91 -0.75 4.63 4.91 2c49A1 ASP 160 HB2 0.11 0.04 -0.08 -0.04 2.71 2.74 2c49A1 ASP 160 HB3 -0.10 0.02 0.18 -0.04 2.70 2.75 2c49A1 PRO 161 HA -0.15 0.08 0.39 -0.51 4.44 4.24 2c49A1 PRO 161 HB2 -0.32 -0.01 -0.07 -0.04 2.28 1.84 2c49A1 PRO 161 HB3 -0.71 0.10 0.01 -0.04 2.02 1.39 2c49A1 PRO 161 HG2 -0.36 -0.05 0.09 -0.04 2.03 1.67 2c49A1 PRO 161 HG3 -0.62 0.13 0.02 -0.04 2.03 1.51 2c49A1 PRO 161 HD2 -0.59 0.31 0.21 -0.04 3.68 3.57 2c49A1 PRO 161 HD3 -2.31 0.18 -0.07 -0.04 3.65 1.40 2c49A1 GLY 162 H -0.16 0.17 -0.14 -0.55 8.43 7.76 2c49A1 GLY 162 HA2 -0.03 0.01 0.29 -0.51 4.01 3.77 2c49A1 GLY 162 HA3 -0.03 -0.00 0.28 -0.51 4.01 3.75 2c49A1 GLN 163 H -0.00 0.12 0.21 -0.55 8.47 8.25 2c49A1 GLN 163 HA 0.01 0.10 0.39 -0.75 4.36 4.11 2c49A1 GLN 163 HB2 -0.06 -0.03 0.12 -0.04 2.15 2.14 2c49A1 GLN 163 HB3 -0.01 0.07 0.09 -0.04 2.02 2.13 2c49A1 GLN 163 HG2 0.01 0.05 0.02 -0.04 2.40 2.44 2c49A1 GLN 163 HG3 0.01 -0.01 0.05 -0.04 2.39 2.40 2c49A1 GLN 163 HE21 0.02 -0.01 0.01 -0.04 6.97 6.94 2c49A1 GLN 163 HE22 0.03 0.06 -0.01 -0.04 7.69 7.72 2c49A1 ASP 164 H 0.08 0.17 -0.14 -0.55 8.40 7.97 2c49A1 ASP 164 HA 0.13 0.14 0.66 -0.75 4.63 4.80 2c49A1 ASP 164 HB2 0.26 0.11 0.17 -0.04 2.71 3.20 2c49A1 ASP 164 HB3 0.30 0.10 0.17 -0.04 2.70 3.22 2c49A1 LEU 165 H 0.08 0.40 -0.49 -0.55 8.37 7.81 2c49A1 LEU 165 HA 0.25 0.00 0.24 -0.75 4.35 4.09 2c49A1 LEU 165 HB2 -0.04 -0.04 0.02 -0.04 1.64 1.55 2c49A1 LEU 165 HB3 0.02 0.03 0.05 -0.04 1.64 1.69 2c49A1 LEU 165 HG 0.03 0.05 -0.22 -0.04 1.64 1.46 2c49A1 LEU 165 HD13 -0.15 -0.01 0.01 -0.04 0.93 0.74 2c49A1 LEU 165 HD23 -0.02 -0.03 0.00 -0.04 0.89 0.79 2c49A1 PRO 166 HA 0.04 0.08 0.32 -0.51 4.44 4.37 2c49A1 PRO 166 HB2 -0.00 0.02 -0.04 -0.04 2.28 2.22 2c49A1 PRO 166 HB3 0.00 0.02 0.09 -0.04 2.02 2.09 2c49A1 PRO 166 HG2 0.01 0.05 0.06 -0.04 2.03 2.11 2c49A1 PRO 166 HG3 0.01 -0.01 0.05 -0.04 2.03 2.04 2c49A1 PRO 166 HD2 0.07 0.08 -0.33 -0.04 3.68 3.46 2c49A1 PRO 166 HD3 0.05 0.02 -0.04 -0.04 3.65 3.64 2c49A1 GLN 167 H 0.08 0.50 -0.42 -0.55 8.47 8.09 2c49A1 GLN 167 HA -0.08 0.06 0.45 -0.75 4.36 4.04 2c49A1 GLN 167 HB2 -0.21 0.06 0.04 -0.04 2.15 2.00 2c49A1 GLN 167 HB3 -0.21 -0.10 0.12 -0.04 2.02 1.79 2c49A1 GLN 167 HG2 -0.08 -0.08 -0.03 -0.04 2.40 2.17 2c49A1 GLN 167 HG3 -0.02 0.14 0.15 -0.04 2.39 2.61 2c49A1 GLN 167 HE21 -1.45 -0.06 -0.00 -0.04 6.97 5.41 2c49A1 GLN 167 HE22 -0.16 -0.02 0.03 -0.04 7.69 7.51 2c49A1 TYR 168 H 0.29 0.54 -0.18 -0.55 8.29 8.39 2c49A1 TYR 168 HA 0.01 -0.07 0.60 -0.75 4.56 4.35 2c49A1 TYR 168 HB2 0.03 0.12 0.13 -0.04 3.06 3.30 2c49A1 TYR 168 HB3 0.04 0.01 -0.01 -0.04 2.98 2.97 2c49A1 TYR 168 HD2 0.06 0.08 -0.06 -0.04 7.15 7.20 2c49A1 TYR 168 HE2 0.12 0.01 -0.19 -0.04 6.85 6.75 2c49A1 SER 169 H 0.02 0.08 0.20 -0.55 8.46 8.21 2c49A1 SER 169 HA 0.01 0.19 0.68 -0.75 4.49 4.61 2c49A1 SER 169 HB2 -0.00 0.03 0.14 -0.04 3.95 4.07 2c49A1 SER 169 HB3 -0.01 0.12 0.17 -0.04 3.93 4.17 2c49A1 LYS 170 H -0.01 0.21 0.12 -0.55 8.42 8.18 2c49A1 LYS 170 HA -0.05 0.12 0.31 -0.75 4.32 3.95 2c49A1 LYS 170 HB2 -0.04 0.08 0.13 -0.04 1.87 1.99 2c49A1 LYS 170 HB3 -0.04 -0.09 0.12 -0.04 1.79 1.74 2c49A1 LYS 170 HG2 -0.10 -0.06 -0.18 -0.04 1.46 1.08 2c49A1 LYS 170 HG3 -0.12 0.09 -0.12 -0.04 1.46 1.27 2c49A1 LYS 170 HD2 -0.05 0.05 0.06 -0.04 1.69 1.71 2c49A1 LYS 170 HD3 -0.05 -0.10 -0.01 -0.04 1.68 1.49 2c49A1 LYS 170 HE2 -0.10 -0.05 -0.00 -0.04 2.99 2.79 2c49A1 LYS 170 HE3 -0.10 0.19 0.06 -0.04 2.99 3.10 2c49A1 GLU 171 H -0.01 0.07 -0.15 -0.55 8.60 7.96 2c49A1 GLU 171 HA -0.02 0.15 0.33 -0.75 4.29 3.99 2c49A1 GLU 171 HB2 -0.01 -0.08 0.06 -0.04 2.09 2.03 2c49A1 GLU 171 HB3 -0.01 0.08 -0.05 -0.04 1.99 1.97 2c49A1 GLU 171 HG2 -0.01 0.05 0.01 -0.04 2.34 2.35 2c49A1 GLU 171 HG3 -0.02 0.07 0.02 -0.04 2.34 2.37 2c49A1 MET 172 H 0.02 0.06 -0.20 -0.55 8.47 7.80 2c49A1 MET 172 HA 0.02 0.12 0.45 -0.75 4.52 4.36 2c49A1 MET 172 HB2 0.09 0.00 0.07 -0.04 2.15 2.27 2c49A1 MET 172 HB3 0.06 0.04 -0.02 -0.04 2.03 2.08 2c49A1 MET 172 HG2 0.00 -0.01 -0.02 -0.04 2.63 2.55 2c49A1 MET 172 HG3 -0.00 -0.05 0.05 -0.04 2.56 2.53 2c49A1 MET 172 HE3 -0.03 -0.01 -0.20 -0.04 2.10 1.82 2c49A1 LEU 173 H 0.08 0.45 -0.31 -0.55 8.37 8.04 2c49A1 LEU 173 HA 0.11 0.00 0.32 -0.75 4.35 4.03 2c49A1 LEU 173 HB2 0.11 -0.01 -0.01 -0.04 1.64 1.69 2c49A1 LEU 173 HB3 -0.01 0.13 0.06 -0.04 1.64 1.78 2c49A1 LEU 173 HG -0.01 0.04 -0.19 -0.04 1.64 1.43 2c49A1 LEU 173 HD13 -0.09 -0.02 -0.00 -0.04 0.93 0.77 2c49A1 LEU 173 HD23 -0.05 0.00 -0.05 -0.04 0.89 0.75 2c49A1 LEU 174 H -0.03 0.50 -0.17 -0.55 8.37 8.11 2c49A1 LEU 174 HA -0.08 0.03 0.29 -0.75 4.35 3.83 2c49A1 LEU 174 HB2 -0.15 0.03 0.08 -0.04 1.64 1.55 2c49A1 LEU 174 HB3 -0.04 0.06 0.14 -0.04 1.64 1.76 2c49A1 LEU 174 HG 0.00 0.02 -0.28 -0.04 1.64 1.34 2c49A1 LEU 174 HD13 0.03 -0.00 -0.01 -0.04 0.93 0.91 2c49A1 LEU 174 HD23 -0.01 -0.01 -0.04 -0.04 0.89 0.80 2c49A1 GLU 175 H 0.00 0.41 -0.20 -0.55 8.60 8.26 2c49A1 GLU 175 HA 0.04 0.07 0.38 -0.75 4.29 4.02 2c49A1 GLU 175 HB2 0.01 0.01 0.09 -0.04 2.09 2.16 2c49A1 GLU 175 HB3 -0.01 -0.01 0.08 -0.04 1.99 2.01 2c49A1 GLU 175 HG2 -0.04 0.02 -0.20 -0.04 2.34 2.08 2c49A1 GLU 175 HG3 0.11 0.02 0.05 -0.04 2.34 2.48 2c49A1 ILE 176 H -0.03 0.47 -0.21 -0.55 8.25 7.93 2c49A1 ILE 176 HA -0.15 0.07 0.49 -0.75 4.18 3.84 2c49A1 ILE 176 HB -0.26 0.06 0.06 -0.04 1.89 1.72 2c49A1 ILE 176 HG12 -0.22 -0.04 -0.04 -0.04 1.49 1.15 2c49A1 ILE 176 HG13 -0.07 0.14 0.06 -0.04 1.21 1.29 2c49A1 ILE 176 HG23 -1.02 -0.02 -0.16 -0.04 0.93 -0.31 2c49A1 ILE 176 HD13 0.07 -0.02 -0.11 -0.04 0.88 0.79 2c49A1 ILE 177 H -0.00 0.49 -0.18 -0.55 8.25 8.01 2c49A1 ILE 177 HA 0.08 -0.03 0.34 -0.75 4.18 3.82 2c49A1 ILE 177 HB 0.08 0.13 0.12 -0.04 1.89 2.19 2c49A1 ILE 177 HG12 0.29 -0.07 -0.04 -0.04 1.49 1.62 2c49A1 ILE 177 HG13 0.24 -0.01 -0.02 -0.04 1.21 1.37 2c49A1 ILE 177 HG23 0.22 -0.01 -0.12 -0.04 0.93 0.98 2c49A1 ILE 177 HD13 0.19 -0.03 -0.12 -0.04 0.88 0.87 2c49A1 GLU 178 H -0.02 0.35 -0.32 -0.55 8.60 8.07 2c49A1 GLU 178 HA -0.14 0.09 0.50 -0.75 4.29 3.99 2c49A1 GLU 178 HB2 -0.04 0.08 0.12 -0.04 2.09 2.21 2c49A1 GLU 178 HB3 -0.21 -0.04 0.10 -0.04 1.99 1.79 2c49A1 GLU 178 HG2 -0.02 0.01 0.01 -0.04 2.34 2.29 2c49A1 GLU 178 HG3 0.01 0.10 0.01 -0.04 2.34 2.41 2c49A1 HIS 179 H -0.13 0.28 -0.70 -0.55 8.41 7.31 2c49A1 HIS 179 HA -1.47 0.15 0.76 -0.75 4.63 3.32 2c49A1 HIS 179 HB2 -0.24 -0.02 0.07 -0.04 3.26 3.03 2c49A1 HIS 179 HB3 -0.21 0.04 0.03 -0.04 3.20 3.01 2c49A1 HIS 179 HD2 0.05 0.07 0.03 -0.04 6.97 7.07 2c49A1 HIS 179 HE1 -0.05 -0.09 -0.05 -0.04 7.75 7.51 2c49A1 THR 180 H -0.29 0.49 -0.28 -0.55 8.28 7.64 2c49A1 THR 180 HA 0.03 0.05 0.84 -0.75 4.39 4.56 2c49A1 THR 180 HB 0.06 0.20 0.07 -0.04 4.32 4.60 2c49A1 THR 180 HG23 0.20 -0.07 -0.39 -0.04 1.22 0.91 2c49A1 ASN 181 H 0.07 0.46 0.37 -0.55 8.53 8.88 2c49A1 ASN 181 HA 0.11 0.14 1.05 -0.75 4.76 5.30 2c49A1 ASN 181 HB2 -0.31 0.04 0.28 -0.04 2.88 2.85 2c49A1 ASN 181 HB3 -0.34 -0.04 0.11 -0.04 2.79 2.47 2c49A1 ASN 181 HD21 -0.08 0.05 0.01 -0.04 7.03 6.97 2c49A1 ASN 181 HD22 0.02 -0.04 0.08 -0.04 7.74 7.76 2c49A1 PHE 182 H 0.03 0.53 0.41 -0.55 8.34 8.76 2c49A1 PHE 182 HA -0.10 0.27 1.06 -0.75 4.62 5.09 2c49A1 PHE 182 HB2 0.11 -0.08 0.18 -0.04 3.15 3.32 2c49A1 PHE 182 HB3 -0.35 -0.02 -0.08 -0.04 3.06 2.57 2c49A1 PHE 182 HD2 0.03 0.05 -0.17 -0.04 7.28 7.15 2c49A1 PHE 182 HE2 -0.35 0.03 -0.12 -0.04 7.38 6.90 2c49A1 PHE 182 HZ -0.76 0.04 -0.09 -0.04 7.32 6.48 2c49A1 LEU 183 H -0.03 0.67 0.35 -0.55 8.37 8.82 2c49A1 LEU 183 HA 0.14 0.23 1.00 -0.75 4.35 4.96 2c49A1 LEU 183 HB2 0.13 0.08 -0.02 -0.04 1.64 1.79 2c49A1 LEU 183 HB3 -0.00 -0.06 0.22 -0.04 1.64 1.76 2c49A1 LEU 183 HG -0.02 -0.08 -0.23 -0.04 1.64 1.27 2c49A1 LEU 183 HD13 0.13 0.05 -0.01 -0.04 0.93 1.06 2c49A1 LEU 183 HD23 0.17 -0.00 -0.08 -0.04 0.89 0.94 2c49A1 PHE 184 H 0.18 0.71 0.41 -0.55 8.34 9.09 2c49A1 PHE 184 HA -0.12 0.29 1.05 -0.75 4.62 5.10 2c49A1 PHE 184 HB2 -0.02 -0.03 0.12 -0.04 3.15 3.18 2c49A1 PHE 184 HB3 -0.07 -0.07 -0.03 -0.04 3.06 2.85 2c49A1 PHE 184 HD2 -0.02 0.02 -0.13 -0.04 7.28 7.11 2c49A1 PHE 184 HE2 -0.27 0.02 -0.15 -0.04 7.38 6.94 2c49A1 PHE 184 HZ -0.99 0.04 -0.15 -0.04 7.32 6.17 2c49A1 MET 185 H -0.03 0.75 0.43 -0.55 8.47 9.08 2c49A1 MET 185 HA -0.02 -0.04 0.67 -0.75 4.52 4.37 2c49A1 MET 185 HB2 0.05 0.07 -0.01 -0.04 2.15 2.22 2c49A1 MET 185 HB3 0.06 -0.09 -0.04 -0.04 2.03 1.92 2c49A1 MET 185 HG2 -0.08 -0.08 0.07 -0.04 2.63 2.50 2c49A1 MET 185 HG3 -0.05 0.06 -0.54 -0.04 2.56 2.00 2c49A1 MET 185 HE3 0.06 0.02 -0.12 -0.04 2.10 2.02 2c49A1 ASN 186 H -0.00 0.04 0.18 -0.55 8.53 8.20 2c49A1 ASN 186 HA -0.06 0.15 0.54 -0.75 4.76 4.64 2c49A1 ASN 186 HB2 0.03 -0.01 0.19 -0.04 2.88 3.05 2c49A1 ASN 186 HB3 0.02 -0.29 -0.00 -0.04 2.79 2.48 2c49A1 ASN 186 HD21 0.11 0.09 0.04 -0.04 7.03 7.24 2c49A1 ASN 186 HD22 0.16 -0.03 0.05 -0.04 7.74 7.87 2c49A1 LYS 187 H -0.14 0.24 0.26 -0.55 8.42 8.22 2c49A1 LYS 187 HA -0.02 0.14 0.54 -0.75 4.32 4.22 2c49A1 LYS 187 HB2 -0.12 0.04 0.06 -0.04 1.87 1.81 2c49A1 LYS 187 HB3 -0.14 0.17 0.22 -0.04 1.79 1.99 2c49A1 LYS 187 HG2 -0.45 -0.19 0.18 -0.04 1.46 0.96 2c49A1 LYS 187 HG3 -0.78 0.02 -0.02 -0.04 1.46 0.64 2c49A1 LYS 187 HD2 -0.14 0.05 0.08 -0.04 1.69 1.64 2c49A1 LYS 187 HD3 -0.19 -0.05 -0.02 -0.04 1.68 1.38 2c49A1 LYS 187 HE2 -0.22 -0.03 -0.02 -0.04 2.99 2.68 2c49A1 LYS 187 HE3 -0.09 0.05 -0.01 -0.04 2.99 2.90 2c49A1 HIS 188 H -0.22 0.04 -0.11 -0.55 8.41 7.57 2c49A1 HIS 188 HA 0.04 0.16 0.39 -0.75 4.63 4.46 2c49A1 HIS 188 HB2 0.01 -0.10 0.09 -0.04 3.26 3.22 2c49A1 HIS 188 HB3 0.01 0.09 0.01 -0.04 3.20 3.27 2c49A1 HIS 188 HD2 0.03 0.06 -0.01 -0.04 6.97 7.01 2c49A1 HIS 188 HE1 0.03 0.05 0.05 -0.04 7.75 7.84 2c49A1 GLU 189 H 0.10 -0.03 -0.12 -0.55 8.60 8.00 2c49A1 GLU 189 HA 0.04 0.11 0.49 -0.75 4.29 4.17 2c49A1 GLU 189 HB2 0.03 -0.12 0.16 -0.04 2.09 2.11 2c49A1 GLU 189 HB3 -0.01 0.10 0.03 -0.04 1.99 2.07 2c49A1 GLU 189 HG2 0.00 0.23 0.02 -0.04 2.34 2.55 2c49A1 GLU 189 HG3 0.06 -0.04 0.02 -0.04 2.34 2.33 2c49A1 PHE 190 H 0.15 0.54 -0.29 -0.55 8.34 8.19 2c49A1 PHE 190 HA -0.05 0.05 0.42 -0.75 4.62 4.27 2c49A1 PHE 190 HB2 -0.09 0.03 0.00 -0.04 3.15 3.05 2c49A1 PHE 190 HB3 -0.05 0.09 0.08 -0.04 3.06 3.14 2c49A1 PHE 190 HD2 -0.16 0.01 -0.12 -0.04 7.28 6.97 2c49A1 PHE 190 HE2 -0.44 0.01 -0.10 -0.04 7.38 6.81 2c49A1 PHE 190 HZ -0.08 -0.07 -0.12 -0.04 7.32 7.01 2c49A1 GLU 191 H 0.09 0.37 -0.28 -0.55 8.60 8.24 2c49A1 GLU 191 HA -0.09 0.06 0.42 -0.75 4.29 3.94 2c49A1 GLU 191 HB2 0.06 0.10 0.22 -0.04 2.09 2.42 2c49A1 GLU 191 HB3 0.03 -0.02 -0.00 -0.04 1.99 1.96 2c49A1 GLU 191 HG2 0.07 -0.02 0.02 -0.04 2.34 2.38 2c49A1 GLU 191 HG3 0.12 0.13 0.09 -0.04 2.34 2.64 2c49A1 ARG 192 H 0.01 0.49 0.00 -0.55 8.46 8.41 2c49A1 ARG 192 HA -0.02 0.03 0.41 -0.75 4.34 4.01 2c49A1 ARG 192 HB2 -0.01 0.01 0.07 -0.04 1.90 1.94 2c49A1 ARG 192 HB3 -0.01 0.00 0.05 -0.04 1.80 1.80 2c49A1 ARG 192 HG2 0.04 0.57 0.24 -0.04 1.67 2.48 2c49A1 ARG 192 HG3 0.02 0.00 -0.00 -0.04 1.67 1.65 2c49A1 ARG 192 HD2 0.01 0.01 0.02 -0.04 3.22 3.22 2c49A1 ARG 192 HD3 0.02 -0.07 0.00 -0.04 3.22 3.14 2c49A1 ALA 193 H -0.05 0.62 -0.17 -0.55 8.40 8.25 2c49A1 ALA 193 HA -0.05 0.00 0.36 -0.75 4.34 3.90 2c49A1 ALA 193 HB3 -0.03 0.00 0.06 -0.04 1.41 1.40 2c49A1 SER 194 H -0.22 0.59 -0.23 -0.55 8.46 8.06 2c49A1 SER 194 HA -0.05 -0.05 0.45 -0.75 4.49 4.08 2c49A1 SER 194 HB2 -0.25 0.05 0.14 -0.04 3.95 3.85 2c49A1 SER 194 HB3 -0.11 0.18 0.10 -0.04 3.93 4.07 2c49A1 ASN 195 H -0.08 0.57 -0.09 -0.55 8.53 8.39 2c49A1 ASN 195 HA -0.04 0.03 0.54 -0.75 4.76 4.55 2c49A1 ASN 195 HB2 -0.03 0.05 0.17 -0.04 2.88 3.03 2c49A1 ASN 195 HB3 -0.03 -0.04 -0.01 -0.04 2.79 2.67 2c49A1 ASN 195 HD21 -0.00 -0.05 -0.05 -0.04 7.03 6.88 2c49A1 ASN 195 HD22 -0.01 -0.04 -0.06 -0.04 7.74 7.59 2c49A1 LEU 196 H -0.06 0.67 -0.02 -0.55 8.37 8.41 2c49A1 LEU 196 HA -0.05 -0.01 0.41 -0.75 4.35 3.94 2c49A1 LEU 196 HB2 -0.04 -0.02 0.09 -0.04 1.64 1.63 2c49A1 LEU 196 HB3 -0.08 0.12 0.15 -0.04 1.64 1.80 2c49A1 LEU 196 HG -0.08 -0.02 -0.24 -0.04 1.64 1.27 2c49A1 LEU 196 HD13 -0.03 -0.05 0.04 -0.04 0.93 0.85 2c49A1 LEU 196 HD23 -0.01 -0.01 -0.21 -0.04 0.89 0.62 2c49A1 LEU 197 H -0.17 0.57 -0.11 -0.55 8.37 8.12 2c49A1 LEU 197 HA -0.28 0.04 0.49 -0.75 4.35 3.85 2c49A1 LEU 197 HB2 -0.55 -0.03 0.00 -0.04 1.64 1.03 2c49A1 LEU 197 HB3 -1.49 -0.03 -0.01 -0.04 1.64 0.08 2c49A1 LEU 197 HG -0.26 0.05 0.02 -0.04 1.64 1.41 2c49A1 LEU 197 HD13 -0.40 -0.02 -0.15 -0.04 0.93 0.31 2c49A1 LEU 197 HD23 -0.39 -0.03 -0.06 -0.04 0.89 0.36 2c49A1 ASN 198 H -0.08 0.27 -0.58 -0.55 8.53 7.60 2c49A1 ASN 198 HA -0.00 0.06 0.33 -0.75 4.76 4.40 2c49A1 ASN 198 HB2 -0.01 0.02 -0.11 -0.04 2.88 2.74 2c49A1 ASN 198 HB3 0.04 0.07 0.31 -0.04 2.79 3.17 2c49A1 ASN 198 HD21 0.01 -0.06 0.03 -0.04 7.03 6.97 2c49A1 ASN 198 HD22 0.02 0.00 0.06 -0.04 7.74 7.77 2c49A1 PHE 199 H 0.05 0.32 0.02 -0.55 8.34 8.18 2c49A1 PHE 199 HA -0.16 0.14 0.76 -0.75 4.62 4.61 2c49A1 PHE 199 HB2 -0.37 -0.04 -0.02 -0.04 3.15 2.68 2c49A1 PHE 199 HB3 -0.66 0.01 -0.16 -0.04 3.06 2.21 2c49A1 PHE 199 HD2 -0.90 0.07 -0.33 -0.04 7.28 6.08 2c49A1 PHE 199 HE2 -0.19 0.04 -0.12 -0.04 7.38 7.06 2c49A1 PHE 199 HZ -0.13 0.03 -0.08 -0.04 7.32 7.10 2c49A1 GLU 200 H -0.10 0.12 0.14 -0.55 8.60 8.22 2c49A1 GLU 200 HA 0.07 0.20 0.69 -0.75 4.29 4.50 2c49A1 GLU 200 HB2 -0.01 0.12 0.05 -0.04 2.09 2.21 2c49A1 GLU 200 HB3 -0.05 -0.05 0.07 -0.04 1.99 1.92 2c49A1 GLU 200 HG2 0.01 -0.19 0.12 -0.04 2.34 2.23 2c49A1 GLU 200 HG3 0.03 0.08 0.11 -0.04 2.34 2.51 2c49A1 ILE 201 H 0.07 0.19 0.08 -0.55 8.25 8.04 2c49A1 ILE 201 HA 0.27 0.09 0.33 -0.75 4.18 4.11 2c49A1 ILE 201 HB -0.12 -0.02 0.10 -0.04 1.89 1.80 2c49A1 ILE 201 HG12 -0.82 0.03 -0.01 -0.04 1.49 0.66 2c49A1 ILE 201 HG13 0.05 -0.02 0.03 -0.04 1.21 1.22 2c49A1 ILE 201 HG23 -0.38 0.02 -0.18 -0.04 0.93 0.35 2c49A1 ILE 201 HD13 -0.24 0.01 -0.01 -0.04 0.88 0.61 2c49A1 ASP 202 H -0.04 0.07 -0.21 -0.55 8.40 7.68 2c49A1 ASP 202 HA -0.03 0.11 0.30 -0.75 4.63 4.26 2c49A1 ASP 202 HB2 -0.06 -0.04 0.01 -0.04 2.71 2.59 2c49A1 ASP 202 HB3 -0.05 0.09 -0.01 -0.04 2.70 2.68 2c49A1 ASP 203 H -0.23 0.17 -0.32 -0.55 8.40 7.48 2c49A1 ASP 203 HA -0.42 0.10 0.48 -0.75 4.63 4.03 2c49A1 ASP 203 HB2 -1.12 0.09 0.10 -0.04 2.71 1.74 2c49A1 ASP 203 HB3 -2.35 0.07 -0.04 -0.04 2.70 0.34 2c49A1 TYR 204 H -0.12 0.27 -0.16 -0.55 8.29 7.74 2c49A1 TYR 204 HA 0.11 0.07 0.45 -0.75 4.56 4.43 2c49A1 TYR 204 HB2 0.04 0.17 0.11 -0.04 3.06 3.34 2c49A1 TYR 204 HB3 0.10 -0.02 -0.07 -0.04 2.98 2.95 2c49A1 TYR 204 HD2 0.17 0.03 -0.09 -0.04 7.15 7.22 2c49A1 TYR 204 HE2 0.02 -0.01 -0.22 -0.04 6.85 6.61 2c49A1 LEU 205 H 0.08 0.33 -0.20 -0.55 8.37 8.03 2c49A1 LEU 205 HA 0.08 0.12 0.26 -0.75 4.35 4.06 2c49A1 LEU 205 HB2 0.03 -0.05 -0.01 -0.04 1.64 1.56 2c49A1 LEU 205 HB3 0.03 0.01 -0.08 -0.04 1.64 1.56 2c49A1 LEU 205 HG 0.07 0.05 -0.50 -0.04 1.64 1.22 2c49A1 LEU 205 HD13 0.09 0.03 -0.28 -0.04 0.93 0.73 2c49A1 LEU 205 HD23 0.07 -0.05 -0.22 -0.04 0.89 0.65 2c49A1 GLU 206 H -0.06 0.30 -0.40 -0.55 8.60 7.90 2c49A1 GLU 206 HA -0.01 0.03 0.65 -0.75 4.29 4.21 2c49A1 GLU 206 HB2 -0.11 0.17 0.07 -0.04 2.09 2.18 2c49A1 GLU 206 HB3 -0.05 -0.06 0.05 -0.04 1.99 1.90 2c49A1 GLU 206 HG2 -0.05 -0.05 0.03 -0.04 2.34 2.23 2c49A1 GLU 206 HG3 -0.09 0.28 0.09 -0.04 2.34 2.57 2c49A1 ARG 207 H 0.03 0.39 -0.27 -0.55 8.46 8.06 2c49A1 ARG 207 HA 0.01 0.15 0.94 -0.75 4.34 4.69 2c49A1 ARG 207 HB2 0.09 0.02 0.06 -0.04 1.90 2.03 2c49A1 ARG 207 HB3 0.02 0.10 -0.11 -0.04 1.80 1.76 2c49A1 ARG 207 HG2 0.01 -0.05 -0.05 -0.04 1.67 1.54 2c49A1 ARG 207 HG3 -0.00 0.00 -0.25 -0.04 1.67 1.38 2c49A1 ARG 207 HD2 -0.01 0.29 0.01 -0.04 3.22 3.46 2c49A1 ARG 207 HD3 0.19 -0.08 -0.08 -0.04 3.22 3.21 2c49A1 VAL 208 H 0.09 0.29 0.17 -0.55 8.24 8.24 2c49A1 VAL 208 HA 0.10 0.45 1.03 -0.75 4.13 4.96 2c49A1 VAL 208 HB 0.13 0.04 -0.03 -0.04 2.12 2.22 2c49A1 VAL 208 HG13 0.14 0.02 -0.12 -0.04 0.97 0.97 2c49A1 VAL 208 HG23 0.13 -0.03 -0.40 -0.04 0.95 0.61 2c49A1 ASP 209 H 0.14 0.41 0.40 -0.55 8.40 8.80 2c49A1 ASP 209 HA 0.12 0.09 0.81 -0.75 4.63 4.90 2c49A1 ASP 209 HB2 0.23 0.04 0.16 -0.04 2.71 3.10 2c49A1 ASP 209 HB3 0.20 -0.11 0.09 -0.04 2.70 2.85 2c49A1 ALA 210 H 0.20 0.53 0.28 -0.55 8.40 8.85 2c49A1 ALA 210 HA 0.05 0.32 0.88 -0.75 4.34 4.84 2c49A1 ALA 210 HB3 -0.09 -0.03 -0.07 -0.04 1.41 1.18 2c49A1 LEU 211 H 0.02 0.67 0.31 -0.55 8.37 8.83 2c49A1 LEU 211 HA -0.11 0.20 0.96 -0.75 4.35 4.64 2c49A1 LEU 211 HB2 0.00 0.04 -0.05 -0.04 1.64 1.60 2c49A1 LEU 211 HB3 0.07 -0.01 0.17 -0.04 1.64 1.83 2c49A1 LEU 211 HG -0.09 -0.06 -0.26 -0.04 1.64 1.19 2c49A1 LEU 211 HD13 -0.25 0.03 -0.10 -0.04 0.93 0.57 2c49A1 LEU 211 HD23 -0.28 -0.01 -0.05 -0.04 0.89 0.51 2c49A1 ILE 212 H -0.36 0.97 0.39 -0.55 8.25 8.70 2c49A1 ILE 212 HA -0.22 0.30 1.20 -0.75 4.18 4.71 2c49A1 ILE 212 HB -0.81 -0.07 0.13 -0.04 1.89 1.11 2c49A1 ILE 212 HG12 -0.92 -0.01 -0.14 -0.04 1.49 0.38 2c49A1 ILE 212 HG13 -0.38 0.02 -0.22 -0.04 1.21 0.59 2c49A1 ILE 212 HG23 0.01 -0.02 -0.21 -0.04 0.93 0.67 2c49A1 ILE 212 HD13 -1.28 0.01 -0.28 -0.04 0.88 -0.71 2c49A1 VAL 213 H -0.19 0.61 0.30 -0.55 8.24 8.41 2c49A1 VAL 213 HA -0.18 0.32 1.12 -0.75 4.13 4.63 2c49A1 VAL 213 HB -0.23 -0.03 0.12 -0.04 2.12 1.94 2c49A1 VAL 213 HG13 -0.30 0.01 -0.17 -0.04 0.97 0.47 2c49A1 VAL 213 HG23 -0.74 -0.00 -0.18 -0.04 0.95 -0.01 2c49A1 THR 214 H -0.15 0.48 0.27 -0.55 8.28 8.34 2c49A1 THR 214 HA -0.22 0.21 0.99 -0.75 4.39 4.62 2c49A1 THR 214 HB -0.27 0.03 0.13 -0.04 4.32 4.17 2c49A1 THR 214 HG23 -0.52 0.03 -0.10 -0.04 1.22 0.60 2c49A1 LYS 215 H -0.13 0.89 0.22 -0.55 8.42 8.84 2c49A1 LYS 215 HA -0.11 -0.03 0.74 -0.75 4.32 4.16 2c49A1 LYS 215 HB2 -0.07 -0.04 0.09 -0.04 1.87 1.81 2c49A1 LYS 215 HB3 -0.09 0.02 -0.12 -0.04 1.79 1.56 2c49A1 LYS 215 HG2 -0.10 -0.01 -0.41 -0.04 1.46 0.90 2c49A1 LYS 215 HG3 -0.07 0.01 -0.71 -0.04 1.46 0.65 2c49A1 LYS 215 HD2 -0.04 -0.01 -0.14 -0.04 1.69 1.45 2c49A1 LYS 215 HD3 -0.06 -0.04 -0.16 -0.04 1.68 1.38 2c49A1 LYS 215 HE2 -0.08 -0.07 -0.27 -0.04 2.99 2.53 2c49A1 LYS 215 HE3 -0.06 0.18 -0.27 -0.04 2.99 2.80 2c49A1 GLY 216 H -0.09 0.04 0.01 -0.55 8.43 7.85 2c49A1 GLY 216 HA2 -0.04 0.05 0.34 -0.51 4.01 3.86 2c49A1 GLY 216 HA3 -0.03 0.01 0.27 -0.51 4.01 3.76 2c49A1 SER 217 H -0.01 0.14 0.19 -0.55 8.46 8.23 2c49A1 SER 217 HA -0.02 0.09 0.38 -0.75 4.49 4.19 2c49A1 SER 217 HB2 -0.01 0.04 0.14 -0.04 3.95 4.08 2c49A1 SER 217 HB3 -0.01 -0.02 0.12 -0.04 3.93 3.98 2c49A1 LYS 218 H -0.03 0.54 -0.34 -0.55 8.42 8.03 2c49A1 LYS 218 HA -0.02 0.15 0.81 -0.75 4.32 4.51 2c49A1 LYS 218 HB2 -0.04 0.08 0.01 -0.04 1.87 1.88 2c49A1 LYS 218 HB3 -0.02 -0.03 0.11 -0.04 1.79 1.81 2c49A1 LYS 218 HG2 -0.01 0.01 -0.11 -0.04 1.46 1.30 2c49A1 LYS 218 HG3 -0.02 -0.02 -0.00 -0.04 1.46 1.38 2c49A1 LYS 218 HD2 -0.02 -0.03 -0.01 -0.04 1.69 1.60 2c49A1 LYS 218 HD3 -0.01 0.02 0.01 -0.04 1.68 1.65 2c49A1 LYS 218 HE2 -0.00 0.02 -0.02 -0.04 2.99 2.95 2c49A1 LYS 218 HE3 -0.00 -0.02 -0.03 -0.04 2.99 2.89 2c49A1 GLY 219 H -0.04 0.43 -0.26 -0.55 8.43 8.02 2c49A1 GLY 219 HA2 -0.02 0.02 0.06 -0.51 4.01 3.56 2c49A1 GLY 219 HA3 -0.03 0.24 0.55 -0.51 4.01 4.26 2c49A1 SER 220 H -0.04 0.79 0.36 -0.55 8.46 9.02 2c49A1 SER 220 HA -0.12 0.06 0.65 -0.75 4.49 4.32 2c49A1 SER 220 HB2 -0.14 0.01 -0.05 -0.04 3.95 3.73 2c49A1 SER 220 HB3 -0.26 -0.07 -0.07 -0.04 3.93 3.49 2c49A1 VAL 221 H -0.17 0.54 0.30 -0.55 8.24 8.37 2c49A1 VAL 221 HA -0.19 0.25 0.99 -0.75 4.13 4.42 2c49A1 VAL 221 HB -0.21 0.02 -0.13 -0.04 2.12 1.77 2c49A1 VAL 221 HG13 -0.24 0.01 0.05 -0.04 0.97 0.74 2c49A1 VAL 221 HG23 -0.67 -0.00 -0.19 -0.04 0.95 0.04 2c49A1 ILE 222 H -0.21 0.76 0.34 -0.55 8.25 8.59 2c49A1 ILE 222 HA -0.19 0.26 1.13 -0.75 4.18 4.63 2c49A1 ILE 222 HB -0.05 -0.07 0.12 -0.04 1.89 1.85 2c49A1 ILE 222 HG12 0.17 0.02 -0.11 -0.04 1.49 1.52 2c49A1 ILE 222 HG13 0.05 -0.07 -0.27 -0.04 1.21 0.88 2c49A1 ILE 222 HG23 -0.02 -0.00 -0.24 -0.04 0.93 0.62 2c49A1 ILE 222 HD13 0.13 -0.02 -0.15 -0.04 0.88 0.79 2c49A1 TYR 223 H -0.03 0.73 0.35 -0.55 8.29 8.79 2c49A1 TYR 223 HA -0.03 0.20 1.02 -0.75 4.56 5.00 2c49A1 TYR 223 HB2 -0.07 -0.05 0.20 -0.04 3.06 3.10 2c49A1 TYR 223 HB3 -0.02 0.09 0.01 -0.04 2.98 3.01 2c49A1 TYR 223 HD2 -0.12 0.10 -0.03 -0.04 7.15 7.06 2c49A1 TYR 223 HE2 -0.19 -0.01 -0.06 -0.04 6.85 6.54 2c49A1 THR 224 H 0.08 0.64 0.37 -0.55 8.28 8.82 2c49A1 THR 224 HA 0.08 0.37 0.84 -0.75 4.39 4.92 2c49A1 THR 224 HB 0.07 0.10 0.30 -0.04 4.32 4.75 2c49A1 THR 224 HG23 0.05 0.01 -0.09 -0.04 1.22 1.15 2c49A1 LYS 225 H 0.07 0.30 0.20 -0.55 8.42 8.44 2c49A1 LYS 225 HA 0.05 0.08 0.40 -0.75 4.32 4.09 2c49A1 LYS 225 HB2 0.05 -0.03 0.19 -0.04 1.87 2.04 2c49A1 LYS 225 HB3 0.04 -0.01 0.05 -0.04 1.79 1.82 2c49A1 LYS 225 HG2 0.03 -0.02 0.05 -0.04 1.46 1.49 2c49A1 LYS 225 HG3 0.04 -0.05 0.04 -0.04 1.46 1.45 2c49A1 LYS 225 HD2 0.06 0.23 0.18 -0.04 1.69 2.13 2c49A1 LYS 225 HD3 0.07 -0.15 0.19 -0.04 1.68 1.74 2c49A1 LYS 225 HE2 0.06 -0.14 0.03 -0.04 2.99 2.90 2c49A1 LYS 225 HE3 0.04 -0.11 0.04 -0.04 2.99 2.91 2c49A1 ASP 226 H 0.05 -0.04 -0.27 -0.55 8.40 7.60 2c49A1 ASP 226 HA 0.03 0.20 0.64 -0.75 4.63 4.75 2c49A1 ASP 226 HB2 0.04 -0.05 0.04 -0.04 2.71 2.69 2c49A1 ASP 226 HB3 0.03 0.01 0.00 -0.04 2.70 2.69 2c49A1 LYS 227 H 0.05 0.07 -0.04 -0.55 8.42 7.95 2c49A1 LYS 227 HA 0.04 0.21 0.87 -0.75 4.32 4.69 2c49A1 LYS 227 HB2 0.01 0.02 -0.01 -0.04 1.87 1.85 2c49A1 LYS 227 HB3 0.02 0.13 -0.22 -0.04 1.79 1.67 2c49A1 LYS 227 HG2 0.03 -0.13 -0.12 -0.04 1.46 1.20 2c49A1 LYS 227 HG3 0.02 -0.01 -0.21 -0.04 1.46 1.22 2c49A1 LYS 227 HD2 0.01 0.01 -0.09 -0.04 1.69 1.57 2c49A1 LYS 227 HD3 0.02 0.06 -0.10 -0.04 1.68 1.62 2c49A1 LYS 227 HE2 0.02 0.04 -0.04 -0.04 2.99 2.97 2c49A1 LYS 227 HE3 0.03 -0.03 -0.05 -0.04 2.99 2.89 2c49A1 LYS 228 H 0.01 0.25 0.17 -0.55 8.42 8.29 2c49A1 LYS 228 HA -0.08 0.21 0.94 -0.75 4.32 4.64 2c49A1 LYS 228 HB2 0.11 0.02 -0.03 -0.04 1.87 1.93 2c49A1 LYS 228 HB3 0.01 -0.01 0.16 -0.04 1.79 1.92 2c49A1 LYS 228 HG2 -0.16 -0.00 -0.21 -0.04 1.46 1.04 2c49A1 LYS 228 HG3 -0.13 -0.01 -0.06 -0.04 1.46 1.22 2c49A1 LYS 228 HD2 0.11 0.00 -0.03 -0.04 1.69 1.73 2c49A1 LYS 228 HD3 0.01 -0.00 -0.04 -0.04 1.68 1.61 2c49A1 LYS 228 HE2 -0.03 -0.00 -0.09 -0.04 2.99 2.83 2c49A1 LYS 228 HE3 0.19 -0.01 -0.06 -0.04 2.99 3.06 2c49A1 ILE 229 H -0.17 0.84 0.30 -0.55 8.25 8.67 2c49A1 ILE 229 HA -0.05 0.18 1.01 -0.75 4.18 4.56 2c49A1 ILE 229 HB -0.06 -0.04 0.16 -0.04 1.89 1.92 2c49A1 ILE 229 HG12 -0.02 0.03 -0.09 -0.04 1.49 1.37 2c49A1 ILE 229 HG13 -0.03 -0.02 -0.34 -0.04 1.21 0.78 2c49A1 ILE 229 HG23 -0.02 -0.01 -0.16 -0.04 0.93 0.70 2c49A1 ILE 229 HD13 -0.00 -0.02 -0.11 -0.04 0.88 0.71 2c49A1 GLU 230 H -0.05 0.19 0.12 -0.55 8.60 8.32 2c49A1 GLU 230 HA -0.10 0.12 0.83 -0.75 4.29 4.39 2c49A1 GLU 230 HB2 -0.03 -0.00 0.11 -0.04 2.09 2.13 2c49A1 GLU 230 HB3 -0.04 0.07 0.02 -0.04 1.99 1.99 2c49A1 GLU 230 HG2 -0.08 -0.01 -0.10 -0.04 2.34 2.11 2c49A1 GLU 230 HG3 -0.05 -0.02 -0.02 -0.04 2.34 2.21 2c49A1 ILE 231 H -0.04 0.80 0.39 -0.55 8.25 8.85 2c49A1 ILE 231 HA 0.00 0.18 0.87 -0.75 4.18 4.48 2c49A1 ILE 231 HB 0.07 -0.10 -0.03 -0.04 1.89 1.79 2c49A1 ILE 231 HG12 0.01 0.01 -0.27 -0.04 1.49 1.20 2c49A1 ILE 231 HG13 0.13 -0.07 -0.18 -0.04 1.21 1.05 2c49A1 ILE 231 HG23 0.07 0.07 -0.29 -0.04 0.93 0.74 2c49A1 ILE 231 HD13 0.00 0.02 -0.17 -0.04 0.88 0.69 2c49A1 PRO 232 HA -0.01 0.07 0.35 -0.51 4.44 4.33 2c49A1 PRO 232 HB2 -0.03 0.18 -0.07 -0.04 2.28 2.31 2c49A1 PRO 232 HB3 0.06 0.01 0.06 -0.04 2.02 2.11 2c49A1 PRO 232 HG2 -0.12 0.02 -0.05 -0.04 2.03 1.85 2c49A1 PRO 232 HG3 0.12 0.03 0.04 -0.04 2.03 2.18 2c49A1 PRO 232 HD2 -0.01 0.05 0.17 -0.04 3.68 3.85 2c49A1 PRO 232 HD3 0.02 0.21 0.16 -0.04 3.65 4.00 2c49A1 CYS 233 H -0.03 0.15 -0.00 -0.55 8.50 8.08 2c49A1 CYS 233 HA -0.03 0.08 0.71 -0.75 4.58 4.58 2c49A1 CYS 233 HB2 -0.03 -0.10 -0.17 -0.04 2.97 2.63 2c49A1 CYS 233 HB3 -0.03 0.04 0.01 -0.04 2.97 2.95 2c49A1 ILE 234 H -0.09 0.20 -0.02 -0.55 8.25 7.80 2c49A1 ILE 234 HA -0.29 0.08 0.64 -0.75 4.18 3.85 2c49A1 ILE 234 HB -0.13 0.00 -0.16 -0.04 1.89 1.56 2c49A1 ILE 234 HG12 -0.51 0.03 -0.07 -0.04 1.49 0.89 2c49A1 ILE 234 HG13 -0.37 -0.02 -0.33 -0.04 1.21 0.44 2c49A1 ILE 234 HG23 -0.16 0.03 -0.19 -0.04 0.93 0.57 2c49A1 ILE 234 HD13 -0.16 -0.04 -0.08 -0.04 0.88 0.56 2c49A1 LYS 235 H -0.07 0.13 0.06 -0.55 8.42 7.99 2c49A1 LYS 235 HA -0.06 -0.07 0.37 -0.75 4.32 3.81 2c49A1 LYS 235 HB2 -0.02 -0.02 0.11 -0.04 1.87 1.90 2c49A1 LYS 235 HB3 -0.05 0.12 -0.07 -0.04 1.79 1.74 2c49A1 LYS 235 HG2 -0.03 0.00 0.07 -0.04 1.46 1.46 2c49A1 LYS 235 HG3 -0.01 -0.03 0.04 -0.04 1.46 1.42 2c49A1 LYS 235 HD2 -0.00 0.02 0.01 -0.04 1.69 1.68 2c49A1 LYS 235 HD3 -0.01 -0.01 0.02 -0.04 1.68 1.63 2c49A1 LYS 235 HE2 0.00 -0.01 0.02 -0.04 2.99 2.96 2c49A1 LYS 235 HE3 0.01 0.02 0.02 -0.04 2.99 2.99 2c49A1 ALA 236 H -0.07 -0.01 0.13 -0.55 8.40 7.91 2c49A1 ALA 236 HA -0.19 0.23 0.67 -0.75 4.34 4.29 2c49A1 ALA 236 HB3 -0.08 -0.01 -0.01 -0.04 1.41 1.27 2c49A1 GLY 237 H -0.12 0.27 0.02 -0.55 8.43 8.05 2c49A1 GLY 237 HA2 -0.05 0.04 0.70 -0.51 4.01 4.19 2c49A1 GLY 237 HA3 -0.05 0.03 0.32 -0.51 4.01 3.80 2c49A1 LYS 238 H -0.03 0.11 -0.06 -0.55 8.42 7.89 2c49A1 LYS 238 HA -0.02 -0.07 0.33 -0.75 4.32 3.82 2c49A1 LYS 238 HB2 -0.01 0.10 -0.20 -0.04 1.87 1.71 2c49A1 LYS 238 HB3 -0.01 0.04 -0.02 -0.04 1.79 1.76 2c49A1 LYS 238 HG2 -0.01 0.01 -0.01 -0.04 1.46 1.41 2c49A1 LYS 238 HG3 -0.01 -0.04 0.02 -0.04 1.46 1.39 2c49A1 LYS 238 HD2 -0.00 0.04 -0.09 -0.04 1.69 1.60 2c49A1 LYS 238 HD3 -0.00 -0.01 -0.03 -0.04 1.68 1.60 2c49A1 LYS 238 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2c49A1 LYS 238 HE3 -0.01 -0.02 -0.05 -0.04 2.99 2.88 2c49A1 VAL 239 H -0.01 0.04 -0.00 -0.55 8.24 7.71 2c49A1 VAL 239 HA -0.02 0.20 0.40 -0.75 4.13 3.96 2c49A1 VAL 239 HB -0.01 -0.02 0.07 -0.04 2.12 2.12 2c49A1 VAL 239 HG13 -0.00 -0.01 -0.23 -0.04 0.97 0.68 2c49A1 VAL 239 HG23 -0.02 -0.01 -0.08 -0.04 0.95 0.80 2c49A1 ILE 240 H -0.01 0.80 0.34 -0.55 8.25 8.83 2c49A1 ILE 240 HA -0.01 0.13 0.74 -0.75 4.18 4.29 2c49A1 ILE 240 HB -0.02 0.01 -0.38 -0.04 1.89 1.46 2c49A1 ILE 240 HG12 -0.01 0.24 -0.16 -0.04 1.49 1.52 2c49A1 ILE 240 HG13 -0.00 0.20 -0.08 -0.04 1.21 1.29 2c49A1 ILE 240 HG23 -0.02 -0.06 -0.19 -0.04 0.93 0.63 2c49A1 ILE 240 HD13 -0.00 -0.03 -0.12 -0.04 0.88 0.69 2c49A1 ASP 241 H -0.02 0.46 0.04 -0.55 8.40 8.33 2c49A1 ASP 241 HA -0.02 0.16 0.69 -0.75 4.63 4.72 2c49A1 ASP 241 HB2 -0.08 0.09 -0.28 -0.04 2.71 2.40 2c49A1 ASP 241 HB3 -0.07 0.34 -0.10 -0.04 2.70 2.82 2c49A1 PRO 242 HA 0.01 0.15 0.49 -0.51 4.44 4.58 2c49A1 PRO 242 HB2 0.03 -0.03 0.00 -0.04 2.28 2.25 2c49A1 PRO 242 HB3 0.02 0.08 0.07 -0.04 2.02 2.14 2c49A1 PRO 242 HG2 0.04 -0.03 -0.05 -0.04 2.03 1.95 2c49A1 PRO 242 HG3 0.04 0.13 0.02 -0.04 2.03 2.18 2c49A1 PRO 242 HD2 0.01 0.10 0.15 -0.04 3.68 3.90 2c49A1 PRO 242 HD3 0.01 0.24 0.01 -0.04 3.65 3.86 2c49A1 THR 243 H -0.01 0.13 -0.40 -0.55 8.28 7.45 2c49A1 THR 243 HA 0.02 0.05 0.17 -0.75 4.39 3.87 2c49A1 THR 243 HB -0.06 -0.01 -0.05 -0.04 4.32 4.16 2c49A1 THR 243 HG23 -0.00 -0.01 -0.12 -0.04 1.22 1.05 2c49A1 GLY 244 H -0.01 0.29 -0.26 -0.55 8.43 7.90 2c49A1 GLY 244 HA2 0.02 -0.02 0.38 -0.51 4.01 3.88 2c49A1 GLY 244 HA3 0.02 0.20 0.27 -0.51 4.01 3.99 2c49A1 ALA 245 H 0.02 0.45 -0.48 -0.55 8.40 7.84 2c49A1 ALA 245 HA 0.05 0.09 0.28 -0.75 4.34 4.01 2c49A1 ALA 245 HB3 0.02 0.02 0.07 -0.04 1.41 1.48 2c49A1 GLY 246 H 0.03 0.22 -0.20 -0.55 8.43 7.93 2c49A1 GLY 246 HA2 -0.00 0.07 0.21 -0.51 4.01 3.78 2c49A1 GLY 246 HA3 0.01 -0.01 0.27 -0.51 4.01 3.76 2c49A1 ASP 247 H 0.03 0.12 -0.08 -0.55 8.40 7.93 2c49A1 ASP 247 HA 0.01 0.05 0.41 -0.75 4.63 4.35 2c49A1 ASP 247 HB2 0.05 0.09 -0.02 -0.04 2.71 2.80 2c49A1 ASP 247 HB3 0.05 0.07 -0.06 -0.04 2.70 2.72 2c49A1 SER 248 H 0.06 0.48 -0.27 -0.55 8.46 8.19 2c49A1 SER 248 HA 0.04 0.05 0.40 -0.75 4.49 4.23 2c49A1 SER 248 HB2 0.06 0.03 -0.06 -0.04 3.95 3.94 2c49A1 SER 248 HB3 0.06 0.05 0.01 -0.04 3.93 4.01 2c49A1 TYR 249 H 0.16 0.46 -0.19 -0.55 8.29 8.17 2c49A1 TYR 249 HA 0.03 0.17 0.59 -0.75 4.56 4.60 2c49A1 TYR 249 HB2 0.01 0.08 0.09 -0.04 3.06 3.20 2c49A1 TYR 249 HB3 -0.02 0.10 0.15 -0.04 2.98 3.16 2c49A1 TYR 249 HD2 0.02 0.05 -0.37 -0.04 7.15 6.80 2c49A1 TYR 249 HE2 0.15 0.04 -0.15 -0.04 6.85 6.85 2c49A1 ARG 250 H 0.02 0.40 -0.12 -0.55 8.46 8.21 2c49A1 ARG 250 HA -0.37 0.01 0.38 -0.75 4.34 3.61 2c49A1 ARG 250 HB2 -0.24 0.09 0.08 -0.04 1.90 1.80 2c49A1 ARG 250 HB3 -0.70 -0.01 -0.10 -0.04 1.80 0.95 2c49A1 ARG 250 HG2 -0.43 -0.03 -0.08 -0.04 1.67 1.09 2c49A1 ARG 250 HG3 -1.89 -0.00 -0.06 -0.04 1.67 -0.32 2c49A1 ARG 250 HD2 -0.12 -0.06 -0.04 -0.04 3.22 2.96 2c49A1 ARG 250 HD3 -0.11 0.20 0.01 -0.04 3.22 3.29 2c49A1 ALA 251 H -0.04 0.47 -0.22 -0.55 8.40 8.06 2c49A1 ALA 251 HA -0.04 0.01 0.33 -0.75 4.34 3.89 2c49A1 ALA 251 HB3 0.02 0.02 -0.01 -0.04 1.41 1.40 2c49A1 GLY 252 H -0.00 0.60 -0.17 -0.55 8.43 8.31 2c49A1 GLY 252 HA2 0.08 0.06 0.32 -0.51 4.01 3.96 2c49A1 GLY 252 HA3 -0.04 0.09 0.12 -0.51 4.01 3.67 2c49A1 PHE 253 H 0.01 0.70 -0.02 -0.55 8.34 8.48 2c49A1 PHE 253 HA -0.04 0.15 0.36 -0.75 4.62 4.33 2c49A1 PHE 253 HB2 -0.21 0.04 0.03 -0.04 3.15 2.97 2c49A1 PHE 253 HB3 0.03 0.01 0.06 -0.04 3.06 3.12 2c49A1 PHE 253 HD2 0.10 0.03 -0.38 -0.04 7.28 6.99 2c49A1 PHE 253 HE2 -0.36 -0.00 -0.15 -0.04 7.38 6.83 2c49A1 PHE 253 HZ -0.35 -0.03 -0.11 -0.04 7.32 6.79 2c49A1 LEU 254 H 0.18 0.67 -0.22 -0.55 8.37 8.45 2c49A1 LEU 254 HA 0.42 0.01 0.30 -0.75 4.35 4.33 2c49A1 LEU 254 HB2 0.04 0.10 0.02 -0.04 1.64 1.76 2c49A1 LEU 254 HB3 0.15 -0.04 -0.06 -0.04 1.64 1.65 2c49A1 LEU 254 HG -0.00 0.08 0.01 -0.04 1.64 1.68 2c49A1 LEU 254 HD13 -0.38 -0.03 -0.16 -0.04 0.93 0.32 2c49A1 LEU 254 HD23 0.45 -0.02 -0.13 -0.04 0.89 1.16 2c49A1 SER 255 H 0.14 0.57 -0.21 -0.55 8.46 8.41 2c49A1 SER 255 HA 0.10 0.01 0.43 -0.75 4.49 4.27 2c49A1 SER 255 HB2 0.25 0.04 0.10 -0.04 3.95 4.29 2c49A1 SER 255 HB3 0.12 0.01 -0.05 -0.04 3.93 3.97 2c49A1 ALA 256 H 0.24 0.61 -0.20 -0.55 8.40 8.50 2c49A1 ALA 256 HA 0.44 0.03 0.35 -0.75 4.34 4.41 2c49A1 ALA 256 HB3 0.17 0.00 -0.02 -0.04 1.41 1.53 2c49A1 TYR 257 H 0.27 0.38 -0.34 -0.55 8.29 8.05 2c49A1 TYR 257 HA 0.09 0.10 0.37 -0.75 4.56 4.37 2c49A1 TYR 257 HB2 0.20 0.02 0.04 -0.04 3.06 3.28 2c49A1 TYR 257 HB3 0.25 0.09 0.06 -0.04 2.98 3.34 2c49A1 TYR 257 HD2 0.15 0.00 -0.20 -0.04 7.15 7.06 2c49A1 TYR 257 HE2 0.19 -0.02 -0.07 -0.04 6.85 6.90 2c49A1 VAL 258 H 0.22 0.50 -0.16 -0.55 8.24 8.24 2c49A1 VAL 258 HA 0.07 0.02 0.43 -0.75 4.13 3.90 2c49A1 VAL 258 HB 0.07 0.13 0.11 -0.04 2.12 2.38 2c49A1 VAL 258 HG13 -0.00 -0.01 -0.14 -0.04 0.97 0.78 2c49A1 VAL 258 HG23 0.15 -0.01 -0.06 -0.04 0.95 0.99 2c49A1 LYS 259 H 0.01 0.40 -0.37 -0.55 8.42 7.90 2c49A1 LYS 259 HA -0.16 0.05 0.40 -0.75 4.32 3.86 2c49A1 LYS 259 HB2 0.03 -0.01 0.07 -0.04 1.87 1.92 2c49A1 LYS 259 HB3 -0.17 -0.09 0.12 -0.04 1.79 1.61 2c49A1 LYS 259 HG2 -0.31 -0.03 -0.03 -0.04 1.46 1.05 2c49A1 LYS 259 HG3 -0.26 0.29 0.00 -0.04 1.46 1.46 2c49A1 LYS 259 HD2 -2.00 -0.07 -0.11 -0.04 1.69 -0.52 2c49A1 LYS 259 HD3 -1.20 -0.09 -0.01 -0.04 1.68 0.34 2c49A1 LYS 259 HE2 -0.48 0.02 -0.06 -0.04 2.99 2.43 2c49A1 LYS 259 HE3 -0.57 0.08 -0.08 -0.04 2.99 2.38 2c49A1 GLY 260 H -0.15 0.33 -0.75 -0.55 8.43 7.31 2c49A1 GLY 260 HA2 -0.28 0.07 0.22 -0.51 4.01 3.50 2c49A1 GLY 260 HA3 -0.30 0.02 0.33 -0.51 4.01 3.56 2c49A1 TYR 261 H 0.00 0.49 0.03 -0.55 8.29 8.26 2c49A1 TYR 261 HA -0.03 0.10 0.63 -0.75 4.56 4.49 2c49A1 TYR 261 HB2 0.02 0.03 -0.14 -0.04 3.06 2.94 2c49A1 TYR 261 HB3 0.00 -0.17 -0.02 -0.04 2.98 2.75 2c49A1 TYR 261 HD2 0.09 0.02 -0.05 -0.04 7.15 7.17 2c49A1 TYR 261 HE2 0.04 -0.01 -0.05 -0.04 6.85 6.79 2c49A1 ASP 262 H 0.11 0.05 0.12 -0.55 8.40 8.13 2c49A1 ASP 262 HA 0.02 0.22 0.35 -0.75 4.63 4.47 2c49A1 ASP 262 HB2 0.03 0.01 0.13 -0.04 2.71 2.84 2c49A1 ASP 262 HB3 0.02 0.12 0.11 -0.04 2.70 2.91 2c49A1 LEU 263 H 0.04 0.18 0.12 -0.55 8.37 8.17 2c49A1 LEU 263 HA -0.13 0.14 0.20 -0.75 4.35 3.81 2c49A1 LEU 263 HB2 0.03 -0.04 0.09 -0.04 1.64 1.68 2c49A1 LEU 263 HB3 0.03 0.02 -0.05 -0.04 1.64 1.60 2c49A1 LEU 263 HG 0.14 0.01 0.05 -0.04 1.64 1.79 2c49A1 LEU 263 HD13 0.08 0.01 -0.05 -0.04 0.93 0.93 2c49A1 LEU 263 HD23 0.07 0.02 -0.07 -0.04 0.89 0.87 2c49A1 GLU 264 H -0.02 0.09 -0.15 -0.55 8.60 7.98 2c49A1 GLU 264 HA -0.03 0.09 0.36 -0.75 4.29 3.96 2c49A1 GLU 264 HB2 -0.01 0.03 0.04 -0.04 2.09 2.10 2c49A1 GLU 264 HB3 -0.01 -0.04 0.02 -0.04 1.99 1.91 2c49A1 GLU 264 HG2 -0.02 0.02 -0.30 -0.04 2.34 2.00 2c49A1 GLU 264 HG3 -0.02 0.01 -0.06 -0.04 2.34 2.22 2c49A1 LYS 265 H -0.03 0.09 -0.25 -0.55 8.42 7.67 2c49A1 LYS 265 HA -0.10 0.05 0.47 -0.75 4.32 3.99 2c49A1 LYS 265 HB2 -0.02 -0.01 0.04 -0.04 1.87 1.84 2c49A1 LYS 265 HB3 0.03 0.05 0.01 -0.04 1.79 1.84 2c49A1 LYS 265 HG2 -0.23 0.03 -0.06 -0.04 1.46 1.16 2c49A1 LYS 265 HG3 -0.20 0.04 -0.29 -0.04 1.46 0.98 2c49A1 LYS 265 HD2 -0.34 0.05 -0.06 -0.04 1.69 1.30 2c49A1 LYS 265 HD3 -0.20 -0.10 0.02 -0.04 1.68 1.36 2c49A1 LYS 265 HE2 -0.12 0.03 -0.05 -0.04 2.99 2.81 2c49A1 LYS 265 HE3 -0.07 -0.05 -0.02 -0.04 2.99 2.80 2c49A1 CYS 266 H -0.19 0.54 -0.32 -0.55 8.50 7.99 2c49A1 CYS 266 HA -0.25 0.05 0.35 -0.75 4.58 3.97 2c49A1 CYS 266 HB2 -0.96 0.08 0.05 -0.04 2.97 2.11 2c49A1 CYS 266 HB3 -1.70 -0.05 -0.02 -0.04 2.97 1.16 2c49A1 GLY 267 H -0.26 0.50 -0.25 -0.55 8.43 7.87 2c49A1 GLY 267 HA2 0.11 -0.03 0.33 -0.51 4.01 3.90 2c49A1 GLY 267 HA3 0.08 0.05 0.22 -0.51 4.01 3.85 2c49A1 LEU 268 H -0.11 0.49 -0.13 -0.55 8.37 8.08 2c49A1 LEU 268 HA -0.07 0.04 0.37 -0.75 4.35 3.93 2c49A1 LEU 268 HB2 -0.12 0.05 0.16 -0.04 1.64 1.69 2c49A1 LEU 268 HB3 -0.10 -0.00 -0.02 -0.04 1.64 1.47 2c49A1 LEU 268 HG -0.04 0.07 0.00 -0.04 1.64 1.63 2c49A1 LEU 268 HD13 -0.04 -0.02 -0.09 -0.04 0.93 0.74 2c49A1 LEU 268 HD23 -0.02 0.00 -0.00 -0.04 0.89 0.82 2c49A1 ILE 269 H -0.20 0.75 -0.16 -0.55 8.25 8.09 2c49A1 ILE 269 HA -0.24 0.03 0.44 -0.75 4.18 3.66 2c49A1 ILE 269 HB -0.17 0.13 -0.00 -0.04 1.89 1.81 2c49A1 ILE 269 HG12 -0.31 0.04 -0.03 -0.04 1.49 1.15 2c49A1 ILE 269 HG13 -0.35 -0.02 -0.08 -0.04 1.21 0.72 2c49A1 ILE 269 HG23 -0.17 -0.04 -0.18 -0.04 0.93 0.49 2c49A1 ILE 269 HD13 -0.76 -0.01 -0.10 -0.04 0.88 -0.03 2c49A1 GLY 270 H -0.28 0.63 -0.23 -0.55 8.43 8.00 2c49A1 GLY 270 HA2 -0.26 -0.02 0.58 -0.51 4.01 3.80 2c49A1 GLY 270 HA3 -0.96 0.07 0.35 -0.51 4.01 2.96 2c49A1 ALA 271 H -0.17 0.57 -0.26 -0.55 8.40 8.00 2c49A1 ALA 271 HA 0.22 -0.06 0.28 -0.75 4.34 4.03 2c49A1 ALA 271 HB3 0.05 0.01 0.07 -0.04 1.41 1.50 2c49A1 ALA 272 H -0.09 0.46 -0.19 -0.55 8.40 8.04 2c49A1 ALA 272 HA -0.07 0.07 0.44 -0.75 4.34 4.03 2c49A1 ALA 272 HB3 -0.07 0.02 0.05 -0.04 1.41 1.36 2c49A1 THR 273 H -0.03 0.48 -0.27 -0.55 8.28 7.91 2c49A1 THR 273 HA 0.14 0.05 0.44 -0.75 4.39 4.27 2c49A1 THR 273 HB 0.01 0.08 0.08 -0.04 4.32 4.44 2c49A1 THR 273 HG23 0.04 -0.03 -0.06 -0.04 1.22 1.13 2c49A1 ALA 274 H 0.07 0.57 -0.18 -0.55 8.40 8.31 2c49A1 ALA 274 HA 0.08 -0.07 0.32 -0.75 4.34 3.92 2c49A1 ALA 274 HB3 0.12 0.01 0.09 -0.04 1.41 1.58 2c49A1 SER 275 H 0.01 0.41 -0.38 -0.55 8.46 7.95 2c49A1 SER 275 HA -0.05 -0.08 0.32 -0.75 4.49 3.92 2c49A1 SER 275 HB2 -0.17 -0.00 -0.25 -0.04 3.95 3.48 2c49A1 SER 275 HB3 -0.10 0.11 0.01 -0.04 3.93 3.91 2c49A1 PHE 276 H 0.15 0.39 -0.40 -0.55 8.34 7.93 2c49A1 PHE 276 HA -0.01 0.05 0.65 -0.75 4.62 4.55 2c49A1 PHE 276 HB2 -0.01 0.17 0.18 -0.04 3.15 3.44 2c49A1 PHE 276 HB3 -0.01 0.15 -0.00 -0.04 3.06 3.16 2c49A1 PHE 276 HD2 -0.03 0.12 0.05 -0.04 7.28 7.37 2c49A1 PHE 276 HE2 -0.05 -0.03 -0.09 -0.04 7.38 7.17 2c49A1 PHE 276 HZ -0.04 0.04 -0.07 -0.04 7.32 7.20 2c49A1 VAL 277 H 0.14 0.31 -0.09 -0.55 8.24 8.05 2c49A1 VAL 277 HA 0.08 0.00 0.17 -0.75 4.13 3.63 2c49A1 VAL 277 HB 0.06 0.02 -0.01 -0.04 2.12 2.15 2c49A1 VAL 277 HG13 0.03 -0.03 -0.22 -0.04 0.97 0.71 2c49A1 VAL 277 HG23 0.08 0.02 -0.16 -0.04 0.95 0.85 2c49A1 VAL 278 H 0.03 0.55 -0.15 -0.55 8.24 8.11 2c49A1 VAL 278 HA -0.00 0.24 0.50 -0.75 4.13 4.12 2c49A1 VAL 278 HB -0.01 -0.18 -0.02 -0.04 2.12 1.87 2c49A1 VAL 278 HG13 0.01 0.01 0.01 -0.04 0.97 0.96 2c49A1 VAL 278 HG23 -0.02 0.04 -0.18 -0.04 0.95 0.76 2c49A1 GLU 279 H 0.02 0.42 -0.74 -0.55 8.60 7.75 2c49A1 GLU 279 HA -0.01 0.24 0.77 -0.75 4.29 4.53 2c49A1 GLU 279 HB2 0.05 0.09 0.09 -0.04 2.09 2.28 2c49A1 GLU 279 HB3 0.01 -0.00 0.23 -0.04 1.99 2.18 2c49A1 GLU 279 HG2 -0.04 -0.06 -0.06 -0.04 2.34 2.13 2c49A1 GLU 279 HG3 -0.03 0.16 0.12 -0.04 2.34 2.55 2c49A1 ALA 280 H 0.00 0.49 -0.12 -0.55 8.40 8.23 2c49A1 ALA 280 HA -0.01 0.10 0.63 -0.75 4.34 4.30 2c49A1 ALA 280 HB3 0.01 0.00 -0.06 -0.04 1.41 1.32 2c49A1 LYS 281 H -0.06 0.14 0.09 -0.55 8.42 8.04 2c49A1 LYS 281 HA -0.19 0.02 0.64 -0.75 4.32 4.04 2c49A1 LYS 281 HB2 -0.11 0.07 0.03 -0.04 1.87 1.82 2c49A1 LYS 281 HB3 -0.17 0.02 0.07 -0.04 1.79 1.67 2c49A1 LYS 281 HG2 -0.89 -0.05 -0.12 -0.04 1.46 0.36 2c49A1 LYS 281 HG3 -0.31 -0.09 0.01 -0.04 1.46 1.03 2c49A1 LYS 281 HD2 -0.04 0.02 0.01 -0.04 1.69 1.63 2c49A1 LYS 281 HD3 -0.11 0.03 0.04 -0.04 1.68 1.60 2c49A1 LYS 281 HE2 -0.12 -0.12 -0.15 -0.04 2.99 2.56 2c49A1 LYS 281 HE3 -0.06 0.07 -0.06 -0.04 2.99 2.90 2c49A1 GLY 282 H -0.37 0.02 0.03 -0.55 8.43 7.56 2c49A1 GLY 282 HA2 -0.51 -0.05 0.34 -0.51 4.01 3.28 2c49A1 GLY 282 HA3 -0.30 0.21 0.75 -0.51 4.01 4.16 2c49A1 CYS 283 H -0.06 0.18 0.08 -0.55 8.50 8.15 2c49A1 CYS 283 HA -0.01 0.08 0.45 -0.75 4.58 4.34 2c49A1 CYS 283 HB2 0.05 0.09 0.03 -0.04 2.97 3.10 2c49A1 CYS 283 HB3 0.05 0.05 -0.02 -0.04 2.97 3.01 2c49A1 GLN 284 H 0.05 0.04 -0.24 -0.55 8.47 7.77 2c49A1 GLN 284 HA 0.10 0.25 0.81 -0.75 4.36 4.77 2c49A1 GLN 284 HB2 0.18 -0.03 -0.06 -0.04 2.15 2.20 2c49A1 GLN 284 HB3 0.24 0.09 0.03 -0.04 2.02 2.34 2c49A1 GLN 284 HG2 0.17 0.11 -0.14 -0.04 2.40 2.49 2c49A1 GLN 284 HG3 0.15 -0.15 -0.37 -0.04 2.39 1.98 2c49A1 GLN 284 HE21 0.45 -0.01 -0.30 -0.04 6.97 7.06 2c49A1 GLN 284 HE22 0.23 -0.09 -0.40 -0.04 7.69 7.39 2c49A1 THR 285 H 0.03 0.11 -0.32 -0.55 8.28 7.55 2c49A1 THR 285 HA 0.08 0.05 0.37 -0.75 4.39 4.13 2c49A1 THR 285 HB 0.01 0.07 -0.09 -0.04 4.32 4.27 2c49A1 THR 285 HG23 0.04 -0.00 -0.08 -0.04 1.22 1.14 2c49A1 ASN 286 H 0.04 0.13 -0.25 -0.55 8.53 7.91 2c49A1 ASN 286 HA 0.05 0.27 0.83 -0.75 4.76 5.16 2c49A1 ASN 286 HB2 0.05 -0.08 -0.11 -0.04 2.88 2.70 2c49A1 ASN 286 HB3 0.08 0.12 -0.01 -0.04 2.79 2.94 2c49A1 ASN 286 HD21 0.22 -0.08 -0.00 -0.04 7.03 7.13 2c49A1 ASN 286 HD22 0.18 0.49 0.09 -0.04 7.74 8.46 2c49A1 LEU 287 H 0.06 0.19 -0.56 -0.55 8.37 7.51 2c49A1 LEU 287 HA 0.04 0.06 0.46 -0.75 4.35 4.16 2c49A1 LEU 287 HB2 0.05 0.05 -0.01 -0.04 1.64 1.69 2c49A1 LEU 287 HB3 0.04 0.09 -0.05 -0.04 1.64 1.67 2c49A1 LEU 287 HG 0.07 -0.11 -0.09 -0.04 1.64 1.47 2c49A1 LEU 287 HD13 0.09 0.01 -0.09 -0.04 0.93 0.90 2c49A1 LEU 287 HD23 0.06 -0.00 -0.00 -0.04 0.89 0.90 2c49A1 PRO 288 HA -0.22 0.09 0.53 -0.51 4.44 4.33 2c49A1 PRO 288 HB2 -0.66 0.03 -0.03 -0.04 2.28 1.59 2c49A1 PRO 288 HB3 -1.05 0.04 0.02 -0.04 2.02 0.98 2c49A1 PRO 288 HG2 -0.12 -0.00 -0.00 -0.04 2.03 1.86 2c49A1 PRO 288 HG3 -0.01 0.09 0.13 -0.04 2.03 2.21 2c49A1 PRO 288 HD2 -0.01 0.05 0.15 -0.04 3.68 3.83 2c49A1 PRO 288 HD3 0.03 0.13 0.25 -0.04 3.65 4.02 2c49A1 THR 289 H -0.16 0.04 0.13 -0.55 8.28 7.73 2c49A1 THR 289 HA 0.01 0.46 0.63 -0.75 4.39 4.74 2c49A1 THR 289 HB 0.03 0.02 0.18 -0.04 4.32 4.51 2c49A1 THR 289 HG23 -0.03 0.04 0.08 -0.04 1.22 1.27 2c49A1 TRP 290 H 0.23 0.32 0.16 -0.55 7.97 8.12 2c49A1 TRP 290 HA -0.06 0.09 0.42 -0.75 4.62 4.32 2c49A1 TRP 290 HB2 -0.03 0.30 0.18 -0.04 3.23 3.65 2c49A1 TRP 290 HB3 -0.03 -0.05 0.12 -0.04 3.23 3.23 2c49A1 TRP 290 HD1 -0.02 -0.05 -0.19 -0.04 7.22 6.93 2c49A1 TRP 290 HE1 -0.01 -0.01 -0.06 -0.04 10.20 10.08 2c49A1 TRP 290 HE3 -0.03 0.05 0.01 -0.04 7.59 7.58 2c49A1 TRP 290 HZ2 -0.32 -0.01 -0.05 -0.04 7.44 7.01 2c49A1 TRP 290 HZ3 -0.03 -0.01 -0.13 -0.04 7.13 6.92 2c49A1 TRP 290 HH2 -0.15 -0.05 -0.05 -0.04 7.19 6.90 2c49A1 ASP 291 H 0.14 0.13 -0.12 -0.55 8.40 8.01 2c49A1 ASP 291 HA 0.01 0.10 0.35 -0.75 4.63 4.33 2c49A1 ASP 291 HB2 0.03 -0.02 0.08 -0.04 2.71 2.75 2c49A1 ASP 291 HB3 0.02 0.04 -0.01 -0.04 2.70 2.71 2c49A1 LYS 292 H -0.10 0.09 -0.27 -0.55 8.42 7.59 2c49A1 LYS 292 HA -0.05 0.04 0.35 -0.75 4.32 3.91 2c49A1 LYS 292 HB2 -0.43 0.09 0.07 -0.04 1.87 1.56 2c49A1 LYS 292 HB3 -0.45 0.05 0.00 -0.04 1.79 1.35 2c49A1 LYS 292 HG2 -0.09 -0.09 0.03 -0.04 1.46 1.26 2c49A1 LYS 292 HG3 -0.18 0.01 0.05 -0.04 1.46 1.30 2c49A1 LYS 292 HD2 -0.02 0.05 0.00 -0.04 1.69 1.68 2c49A1 LYS 292 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.60 2c49A1 LYS 292 HE2 0.00 0.01 -0.02 -0.04 2.99 2.94 2c49A1 LYS 292 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.89 2c49A1 VAL 293 H -0.23 0.39 -0.35 -0.55 8.24 7.50 2c49A1 VAL 293 HA 0.17 0.08 0.24 -0.75 4.13 3.86 2c49A1 VAL 293 HB -0.38 0.09 0.08 -0.04 2.12 1.88 2c49A1 VAL 293 HG13 -0.25 -0.03 -0.24 -0.04 0.97 0.42 2c49A1 VAL 293 HG23 -0.13 0.05 -0.13 -0.04 0.95 0.70 2c49A1 VAL 294 H -0.40 0.60 -0.08 -0.55 8.24 7.80 2c49A1 VAL 294 HA -0.34 0.00 0.46 -0.75 4.13 3.51 2c49A1 VAL 294 HB -0.31 0.09 0.13 -0.04 2.12 1.99 2c49A1 VAL 294 HG13 -0.12 -0.01 -0.16 -0.04 0.97 0.64 2c49A1 VAL 294 HG23 -0.94 0.01 -0.00 -0.04 0.95 -0.03 2c49A1 GLU 295 H -0.09 0.68 -0.09 -0.55 8.60 8.55 2c49A1 GLU 295 HA -0.03 -0.01 0.41 -0.75 4.29 3.90 2c49A1 GLU 295 HB2 -0.01 -0.01 0.08 -0.04 2.09 2.11 2c49A1 GLU 295 HB3 0.01 0.08 0.14 -0.04 1.99 2.19 2c49A1 GLU 295 HG2 0.02 0.03 -0.23 -0.04 2.34 2.12 2c49A1 GLU 295 HG3 0.00 -0.04 -0.01 -0.04 2.34 2.26 2c49A1 ARG 296 H 0.07 0.57 -0.18 -0.55 8.46 8.37 2c49A1 ARG 296 HA 0.01 -0.01 0.42 -0.75 4.34 4.00 2c49A1 ARG 296 HB2 0.17 0.01 0.09 -0.04 1.90 2.12 2c49A1 ARG 296 HB3 0.11 0.13 0.10 -0.04 1.80 2.09 2c49A1 ARG 296 HG2 -0.11 -0.03 -0.20 -0.04 1.67 1.29 2c49A1 ARG 296 HG3 -0.11 -0.06 -0.00 -0.04 1.67 1.46 2c49A1 ARG 296 HD2 -0.65 0.06 -0.04 -0.04 3.22 2.55 2c49A1 ARG 296 HD3 -0.37 0.12 -0.07 -0.04 3.22 2.85 2c49A1 LEU 297 H -0.07 0.47 -0.21 -0.55 8.37 8.02 2c49A1 LEU 297 HA -0.05 -0.03 0.36 -0.75 4.35 3.88 2c49A1 LEU 297 HB2 -0.16 0.17 0.15 -0.04 1.64 1.76 2c49A1 LEU 297 HB3 -0.12 0.02 0.01 -0.04 1.64 1.51 2c49A1 LEU 297 HG -0.14 0.05 -0.12 -0.04 1.64 1.39 2c49A1 LEU 297 HD13 -0.20 -0.03 -0.14 -0.04 0.93 0.52 2c49A1 LEU 297 HD23 -0.05 -0.03 -0.08 -0.04 0.89 0.69 2c49A1 GLU 298 H -0.05 0.55 -0.11 -0.55 8.60 8.45 2c49A1 GLU 298 HA -0.02 0.01 0.33 -0.75 4.29 3.85 2c49A1 GLU 298 HB2 -0.02 0.07 0.06 -0.04 2.09 2.15 2c49A1 GLU 298 HB3 -0.02 -0.06 0.06 -0.04 1.99 1.93 2c49A1 GLU 298 HG2 -0.05 -0.07 -0.02 -0.04 2.34 2.16 2c49A1 GLU 298 HG3 -0.07 0.25 0.07 -0.04 2.34 2.55 2c49A1 LYS 299 H -0.01 0.30 -0.35 -0.55 8.42 7.80 2c49A1 LYS 299 HA -0.01 -0.03 0.54 -0.75 4.32 4.06 2c49A1 LYS 299 HB2 -0.00 -0.02 0.10 -0.04 1.87 1.90 2c49A1 LYS 299 HB3 0.00 0.26 0.11 -0.04 1.79 2.13 2c49A1 LYS 299 HG2 0.00 -0.01 -0.08 -0.04 1.46 1.33 2c49A1 LYS 299 HG3 -0.01 -0.07 0.06 -0.04 1.46 1.41 2c49A1 LYS 299 HD2 -0.01 -0.04 -0.02 -0.04 1.69 1.58 2c49A1 LYS 299 HD3 -0.02 0.04 -0.03 -0.04 1.68 1.63 2c49A1 LYS 299 HE2 -0.01 -0.01 -0.04 -0.04 2.99 2.88 2c49A1 LYS 299 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.90 2c49A1 HIS 300 H 0.08 0.28 -0.35 -0.55 8.41 7.87 2c49A1 HIS 300 HA -0.04 0.07 0.67 -0.75 4.63 4.58 2c49A1 HIS 300 HB2 -0.05 0.00 0.10 -0.04 3.26 3.27 2c49A1 HIS 300 HB3 -0.05 0.15 0.12 -0.04 3.20 3.38 2c49A1 HIS 300 HD2 -0.04 0.00 0.05 -0.04 6.97 6.94 2c49A1 HIS 300 HE1 -0.02 -0.03 0.01 -0.04 7.75 7.66 2c49A1 ARG 301 H -0.48 0.03 0.03 -0.55 8.46 7.49 2c49A1 ARG 301 HA -0.08 -0.02 0.18 -0.75 4.34 3.66 2c49A1 ARG 301 HB2 -0.03 0.36 0.21 -0.04 1.90 2.41 2c49A1 ARG 301 HB3 -0.03 -0.08 0.08 -0.04 1.80 1.74 2c49A1 ARG 301 HG2 0.06 -0.07 -0.04 -0.04 1.67 1.57 2c49A1 ARG 301 HG3 0.04 0.15 -0.31 -0.04 1.67 1.50 2c49A1 ARG 301 HD2 -0.01 -0.01 -0.02 -0.04 3.22 3.13 2c49A1 ARG 301 HD3 -0.00 -0.08 -0.05 -0.04 3.22 3.05