============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 9 1.000 -37.293 -21.698 -14.290 -99.200 -91.000 TYR 15 0.840 -40.700 -18.143 -13.766 -99.200 -91.000 HIS 44 0.900 -37.825 2.519 -10.043 -99.200 -91.000 HIS 52 0.900 -46.067 -21.829 -4.901 -99.200 -91.000 TYR 55 0.840 -37.082 -18.020 -9.745 -99.200 -91.000 TYR 57 0.840 -38.857 -16.385 -3.766 -99.200 -91.000 TYR 81 0.840 -26.840 -5.799 -22.495 -99.200 -91.000 TYR 86 0.840 -30.651 -6.774 -10.343 -99.200 -91.000 TYR 93 0.840 -47.110 -18.968 -2.268 -99.200 -91.000 PHE 101 1.000 -35.683 -9.833 -8.232 -99.200 -91.000 TYR 109 0.840 -25.916 9.373 -11.617 -99.200 -91.000 PHE 117 1.000 -19.148 5.962 -19.396 -99.200 -91.000 TYR 124 0.840 -35.193 -5.208 -18.549 -99.200 -91.000 PHE 144 1.000 -27.241 -13.192 2.639 -99.200 -91.000 PHE 151 1.000 -30.315 -19.310 14.625 -99.200 -91.000 PHE 157 1.000 -31.790 -10.398 9.135 -99.200 -91.000 PHE 167 1.000 -29.725 -8.568 5.500 -99.200 -91.000 HIS 177 0.900 -44.734 -14.379 5.492 -99.200 -91.000 PHE 182 1.000 -35.080 -15.122 15.239 -99.200 -91.000 TYR 190 0.840 -31.618 -0.004 4.864 -99.200 -91.000 TYR 194 0.840 -27.208 12.505 1.104 -99.200 -91.000 TYR 203 0.840 -41.654 -5.111 6.349 -99.200 -91.000 HIS 211 0.900 -42.736 -8.789 14.930 -99.200 -91.000 PHE 214 1.000 -36.472 -5.642 12.541 -99.200 -91.000 PHE 228 1.000 -17.541 3.909 18.037 -99.200 -91.000 TYR 234 0.840 -18.914 4.839 5.810 -99.200 -91.000 HIS 237 0.900 -17.797 4.029 11.613 -99.200 -91.000 PHE 256 1.000 -22.135 -11.198 13.801 -99.200 -91.000 TYR 257 0.840 -28.221 -14.482 7.600 -99.200 -91.000 TYR 283 0.840 -11.530 -9.911 6.614 -99.200 -91.000 PHE 286 1.000 -13.941 -13.014 13.619 -99.200 -91.000 HIS 288 0.900 -13.034 -20.870 5.046 -99.200 -91.000 HIS 289 0.900 -14.121 -20.324 13.824 -99.200 -91.000 HIS 294 0.900 -23.756 -23.442 8.070 -99.200 -91.000 PHE 297 1.000 -25.031 -17.799 7.146 -99.200 -91.000 TYR 301 0.840 -25.230 -6.050 -4.124 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rc5B1 THR 8 HA 0.00 -0.09 0.22 -0.75 4.39 3.77 2rc5B1 THR 8 HB 0.00 -0.09 -0.00 -0.04 4.32 4.18 2rc5B1 THR 8 HG23 0.00 -0.01 0.04 -0.04 1.22 1.21 2rc5B1 ARG 9 H 0.00 -0.05 0.13 -0.55 8.46 8.00 2rc5B1 ARG 9 HA 0.00 0.33 0.97 -0.75 4.34 4.89 2rc5B1 ARG 9 HB2 -0.00 -0.06 -0.04 -0.04 1.90 1.76 2rc5B1 ARG 9 HB3 -0.00 0.00 0.04 -0.04 1.80 1.80 2rc5B1 ARG 9 HG2 0.00 0.13 0.01 -0.04 1.67 1.77 2rc5B1 ARG 9 HG3 0.00 0.10 -0.34 -0.04 1.67 1.40 2rc5B1 ARG 9 HD2 0.00 -0.19 0.06 -0.04 3.22 3.06 2rc5B1 ARG 9 HD3 0.00 -0.08 0.03 -0.04 3.22 3.13 2rc5B1 GLU 10 H -0.00 -0.06 0.05 -0.55 8.60 8.05 2rc5B1 GLU 10 HA 0.01 0.04 0.17 -0.75 4.29 3.76 2rc5B1 GLU 10 HB2 -0.01 -0.01 0.06 -0.04 2.09 2.09 2rc5B1 GLU 10 HB3 0.00 0.09 -0.02 -0.04 1.99 2.02 2rc5B1 GLU 10 HG2 0.00 -0.13 0.11 -0.04 2.34 2.28 2rc5B1 GLU 10 HG3 -0.00 -0.01 0.03 -0.04 2.34 2.33 2rc5B1 PRO 11 HA 0.01 0.11 0.56 -0.51 4.44 4.61 2rc5B1 PRO 11 HB2 0.04 -0.01 -0.08 -0.04 2.28 2.19 2rc5B1 PRO 11 HB3 0.04 0.02 0.05 -0.04 2.02 2.10 2rc5B1 PRO 11 HG2 0.03 -0.04 0.09 -0.04 2.03 2.08 2rc5B1 PRO 11 HG3 0.04 0.06 0.02 -0.04 2.03 2.11 2rc5B1 PRO 11 HD2 0.01 -0.01 0.16 -0.04 3.68 3.80 2rc5B1 PRO 11 HD3 0.02 0.20 0.06 -0.04 3.65 3.88 2rc5B1 GLN 12 H -0.01 0.26 0.19 -0.55 8.47 8.35 2rc5B1 GLN 12 HA -0.03 0.11 0.86 -0.75 4.36 4.54 2rc5B1 GLN 12 HB2 -0.07 0.07 0.06 -0.04 2.15 2.17 2rc5B1 GLN 12 HB3 -0.09 -0.03 -0.02 -0.04 2.02 1.85 2rc5B1 GLN 12 HG2 -0.04 -0.05 -0.05 -0.04 2.40 2.21 2rc5B1 GLN 12 HG3 -0.04 0.16 -0.22 -0.04 2.39 2.26 2rc5B1 GLN 12 HE21 -0.06 -0.02 -0.01 -0.04 6.97 6.83 2rc5B1 GLN 12 HE22 -0.05 0.13 -0.01 -0.04 7.69 7.72 2rc5B1 ILE 13 H -0.04 0.22 0.09 -0.55 8.25 7.97 2rc5B1 ILE 13 HA -0.03 0.31 0.85 -0.75 4.18 4.55 2rc5B1 ILE 13 HB 0.00 -0.06 0.05 -0.04 1.89 1.85 2rc5B1 ILE 13 HG12 0.00 0.06 -0.08 -0.04 1.49 1.42 2rc5B1 ILE 13 HG13 -0.02 0.04 -0.04 -0.04 1.21 1.15 2rc5B1 ILE 13 HG23 0.02 -0.03 -0.43 -0.04 0.93 0.45 2rc5B1 ILE 13 HD13 0.01 -0.03 -0.08 -0.04 0.88 0.75 2rc5B1 ASN 14 H -0.02 0.60 0.15 -0.55 8.53 8.72 2rc5B1 ASN 14 HA 0.00 0.02 0.31 -0.75 4.76 4.33 2rc5B1 ASN 14 HB2 -0.03 0.15 -0.28 -0.04 2.88 2.68 2rc5B1 ASN 14 HB3 -0.01 -0.03 0.09 -0.04 2.79 2.79 2rc5B1 ASN 14 HD21 0.01 -0.06 -0.04 -0.04 7.03 6.90 2rc5B1 ASN 14 HD22 -0.00 0.06 -0.10 -0.04 7.74 7.65 2rc5B1 LEU 15 H -0.15 0.10 -0.57 -0.55 8.37 7.20 2rc5B1 LEU 15 HA -0.27 0.03 0.52 -0.75 4.35 3.87 2rc5B1 LEU 15 HB2 -0.41 0.11 0.13 -0.04 1.64 1.43 2rc5B1 LEU 15 HB3 -0.70 0.02 0.05 -0.04 1.64 0.98 2rc5B1 LEU 15 HG -0.19 -0.07 -0.21 -0.04 1.64 1.12 2rc5B1 LEU 15 HD13 -0.21 0.03 -0.04 -0.04 0.93 0.66 2rc5B1 LEU 15 HD23 -0.18 -0.01 -0.00 -0.04 0.89 0.66 2rc5B1 PHE 16 H -0.01 0.45 0.02 -0.55 8.34 8.25 2rc5B1 PHE 16 HA 0.05 0.30 0.88 -0.75 4.62 5.10 2rc5B1 PHE 16 HB2 0.16 -0.14 0.00 -0.04 3.15 3.13 2rc5B1 PHE 16 HB3 0.16 0.05 0.10 -0.04 3.06 3.33 2rc5B1 PHE 16 HD2 0.02 0.23 -0.12 -0.04 7.28 7.37 2rc5B1 PHE 16 HE2 -0.04 0.18 -0.08 -0.04 7.38 7.40 2rc5B1 PHE 16 HZ 0.02 -0.09 -0.01 -0.04 7.32 7.20 2rc5B1 LYS 17 H 0.15 0.27 0.04 -0.55 8.42 8.32 2rc5B1 LYS 17 HA 0.09 0.11 0.74 -0.75 4.32 4.50 2rc5B1 LYS 17 HB2 0.04 0.02 0.02 -0.04 1.87 1.92 2rc5B1 LYS 17 HB3 0.04 -0.15 0.16 -0.04 1.79 1.80 2rc5B1 LYS 17 HG2 0.03 -0.04 0.02 -0.04 1.46 1.42 2rc5B1 LYS 17 HG3 0.01 0.21 -0.31 -0.04 1.46 1.33 2rc5B1 LYS 17 HD2 0.00 0.07 -0.03 -0.04 1.69 1.69 2rc5B1 LYS 17 HD3 0.01 -0.08 0.01 -0.04 1.68 1.58 2rc5B1 LYS 17 HE2 -0.01 0.14 -0.00 -0.04 2.99 3.08 2rc5B1 LYS 17 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.93 2rc5B1 LYS 18 H 0.05 0.15 0.10 -0.55 8.42 8.17 2rc5B1 LYS 18 HA 0.06 0.17 0.25 -0.75 4.32 4.05 2rc5B1 LYS 18 HB2 0.03 0.09 0.06 -0.04 1.87 2.01 2rc5B1 LYS 18 HB3 0.04 -0.05 0.04 -0.04 1.79 1.77 2rc5B1 LYS 18 HG2 0.02 -0.10 0.07 -0.04 1.46 1.41 2rc5B1 LYS 18 HG3 0.02 0.07 -0.12 -0.04 1.46 1.39 2rc5B1 LYS 18 HD2 0.01 0.08 -0.04 -0.04 1.69 1.71 2rc5B1 LYS 18 HD3 0.02 -0.08 0.01 -0.04 1.68 1.58 2rc5B1 LYS 18 HE2 0.01 -0.04 -0.01 -0.04 2.99 2.91 2rc5B1 LYS 18 HE3 0.01 -0.02 -0.01 -0.04 2.99 2.92 2rc5B1 SER 19 H 0.05 -0.05 -0.31 -0.55 8.46 7.60 2rc5B1 SER 19 HA 0.03 0.15 0.58 -0.75 4.49 4.50 2rc5B1 SER 19 HB2 0.03 -0.02 -0.03 -0.04 3.95 3.89 2rc5B1 SER 19 HB3 0.03 0.04 0.03 -0.04 3.93 3.99 2rc5B1 ASN 20 H 0.09 -0.03 -0.36 -0.55 8.53 7.68 2rc5B1 ASN 20 HA 0.11 0.19 0.68 -0.75 4.76 4.99 2rc5B1 ASN 20 HB2 0.14 0.07 0.16 -0.04 2.88 3.21 2rc5B1 ASN 20 HB3 0.07 -0.02 -0.03 -0.04 2.79 2.77 2rc5B1 ASN 20 HD21 -0.08 0.21 0.12 -0.04 7.03 7.24 2rc5B1 ASN 20 HD22 -0.01 0.02 0.15 -0.04 7.74 7.86 2rc5B1 PRO 21 HA 0.22 0.13 0.41 -0.51 4.44 4.69 2rc5B1 PRO 21 HB2 0.04 -0.05 -0.00 -0.04 2.28 2.23 2rc5B1 PRO 21 HB3 0.08 -0.02 -0.02 -0.04 2.02 2.01 2rc5B1 PRO 21 HG2 0.03 -0.03 -0.10 -0.04 2.03 1.88 2rc5B1 PRO 21 HG3 0.03 0.04 -0.04 -0.04 2.03 2.02 2rc5B1 PRO 21 HD2 0.07 0.08 -0.07 -0.04 3.68 3.72 2rc5B1 PRO 21 HD3 0.07 0.15 -0.42 -0.04 3.65 3.41 2rc5B1 TYR 22 H 0.06 0.64 0.25 -0.55 8.29 8.69 2rc5B1 TYR 22 HA -0.46 0.17 0.87 -0.75 4.56 4.39 2rc5B1 TYR 22 HB2 -1.97 0.09 -0.08 -0.04 3.06 1.06 2rc5B1 TYR 22 HB3 -0.32 -0.09 -0.06 -0.04 2.98 2.47 2rc5B1 TYR 22 HD2 -0.51 0.01 -0.12 -0.04 7.15 6.49 2rc5B1 TYR 22 HE2 -0.11 -0.03 -0.06 -0.04 6.85 6.60 2rc5B1 LYS 23 H -0.65 0.19 0.09 -0.55 8.42 7.50 2rc5B1 LYS 23 HA -0.26 0.35 1.01 -0.75 4.32 4.67 2rc5B1 LYS 23 HB2 -0.25 -0.03 0.14 -0.04 1.87 1.68 2rc5B1 LYS 23 HB3 -0.17 0.00 -0.05 -0.04 1.79 1.52 2rc5B1 LYS 23 HG2 -0.13 0.03 -0.17 -0.04 1.46 1.15 2rc5B1 LYS 23 HG3 -0.09 -0.02 -0.07 -0.04 1.46 1.25 2rc5B1 LYS 23 HD2 -0.07 -0.01 -0.17 -0.04 1.69 1.39 2rc5B1 LYS 23 HD3 -0.09 0.07 -0.25 -0.04 1.68 1.37 2rc5B1 LYS 23 HE2 -0.02 -0.02 -0.10 -0.04 2.99 2.80 2rc5B1 LYS 23 HE3 -0.02 0.05 -0.17 -0.04 2.99 2.80 2rc5B1 ALA 24 H -0.23 0.58 0.25 -0.55 8.40 8.45 2rc5B1 ALA 24 HA -0.25 0.21 0.88 -0.75 4.34 4.43 2rc5B1 ALA 24 HB3 -0.06 -0.01 -0.08 -0.04 1.41 1.22 2rc5B1 LYS 25 H -0.08 0.35 0.25 -0.55 8.42 8.38 2rc5B1 LYS 25 HA -0.06 0.33 0.92 -0.75 4.32 4.76 2rc5B1 LYS 25 HB2 -0.04 -0.05 0.10 -0.04 1.87 1.83 2rc5B1 LYS 25 HB3 -0.04 0.02 -0.05 -0.04 1.79 1.69 2rc5B1 LYS 25 HG2 -0.07 -0.03 -0.20 -0.04 1.46 1.11 2rc5B1 LYS 25 HG3 -0.04 -0.02 -0.04 -0.04 1.46 1.31 2rc5B1 LYS 25 HD2 -0.03 0.01 -0.09 -0.04 1.69 1.54 2rc5B1 LYS 25 HD3 -0.04 0.04 -0.36 -0.04 1.68 1.28 2rc5B1 LYS 25 HE2 -0.05 -0.04 -0.10 -0.04 2.99 2.76 2rc5B1 LYS 25 HE3 -0.04 -0.05 -0.05 -0.04 2.99 2.82 2rc5B1 VAL 26 H -0.04 0.75 0.24 -0.55 8.24 8.63 2rc5B1 VAL 26 HA -0.04 0.09 0.64 -0.75 4.13 4.07 2rc5B1 VAL 26 HB -0.04 -0.11 0.19 -0.04 2.12 2.12 2rc5B1 VAL 26 HG13 -0.04 0.02 -0.56 -0.04 0.97 0.35 2rc5B1 VAL 26 HG23 -0.07 0.04 -0.10 -0.04 0.95 0.77 2rc5B1 ILE 27 H -0.03 0.53 0.48 -0.55 8.25 8.68 2rc5B1 ILE 27 HA -0.02 0.09 0.85 -0.75 4.18 4.36 2rc5B1 ILE 27 HB -0.02 0.02 0.01 -0.04 1.89 1.86 2rc5B1 ILE 27 HG12 -0.01 0.02 0.01 -0.04 1.49 1.47 2rc5B1 ILE 27 HG13 -0.02 -0.05 -0.04 -0.04 1.21 1.06 2rc5B1 ILE 27 HG23 -0.01 -0.01 -0.16 -0.04 0.93 0.71 2rc5B1 ILE 27 HD13 -0.00 0.00 -0.16 -0.04 0.88 0.68 2rc5B1 SER 28 H -0.03 0.44 0.34 -0.55 8.46 8.66 2rc5B1 SER 28 HA -0.01 0.20 0.65 -0.75 4.49 4.57 2rc5B1 SER 28 HB2 -0.01 -0.03 0.05 -0.04 3.95 3.91 2rc5B1 SER 28 HB3 -0.01 0.11 -0.10 -0.04 3.93 3.88 2rc5B1 ASN 29 H 0.00 0.21 -0.04 -0.55 8.53 8.15 2rc5B1 ASN 29 HA 0.03 0.21 0.70 -0.75 4.76 4.94 2rc5B1 ASN 29 HB2 -0.03 0.00 -0.10 -0.04 2.88 2.71 2rc5B1 ASN 29 HB3 -0.00 0.10 -0.03 -0.04 2.79 2.82 2rc5B1 ASN 29 HD21 -0.17 0.32 -0.19 -0.04 7.03 6.94 2rc5B1 ASN 29 HD22 -0.06 0.69 -0.07 -0.04 7.74 8.26 2rc5B1 VAL 30 H 0.01 0.50 0.24 -0.55 8.24 8.44 2rc5B1 VAL 30 HA -0.04 0.20 1.05 -0.75 4.13 4.59 2rc5B1 VAL 30 HB -0.04 0.05 0.11 -0.04 2.12 2.20 2rc5B1 VAL 30 HG13 -0.01 0.01 -0.08 -0.04 0.97 0.84 2rc5B1 VAL 30 HG23 -0.04 0.02 -0.11 -0.04 0.95 0.78 2rc5B1 LEU 31 H -0.24 0.18 0.18 -0.55 8.37 7.94 2rc5B1 LEU 31 HA -0.76 0.07 0.67 -0.75 4.35 3.58 2rc5B1 LEU 31 HB2 -0.48 0.03 0.10 -0.04 1.64 1.24 2rc5B1 LEU 31 HB3 -0.18 -0.01 0.16 -0.04 1.64 1.57 2rc5B1 LEU 31 HG -0.11 0.27 -0.18 -0.04 1.64 1.58 2rc5B1 LEU 31 HD13 -0.09 0.02 -0.02 -0.04 0.93 0.80 2rc5B1 LEU 31 HD23 -0.03 -0.02 -0.06 -0.04 0.89 0.74 2rc5B1 LEU 32 H -0.14 0.84 0.51 -0.55 8.37 9.04 2rc5B1 LEU 32 HA -0.04 0.11 0.71 -0.75 4.35 4.38 2rc5B1 LEU 32 HB2 0.01 0.04 0.02 -0.04 1.64 1.66 2rc5B1 LEU 32 HB3 0.02 -0.14 0.05 -0.04 1.64 1.53 2rc5B1 LEU 32 HG -0.04 0.08 0.04 -0.04 1.64 1.67 2rc5B1 LEU 32 HD13 0.03 -0.04 -0.24 -0.04 0.93 0.65 2rc5B1 LEU 32 HD23 -0.01 -0.02 -0.05 -0.04 0.89 0.78 2rc5B1 THR 33 H -0.04 0.03 0.19 -0.55 8.28 7.91 2rc5B1 THR 33 HA 0.01 0.30 0.85 -0.75 4.39 4.80 2rc5B1 THR 33 HB 0.02 0.12 0.18 -0.04 4.32 4.60 2rc5B1 THR 33 HG23 0.05 0.04 0.04 -0.04 1.22 1.30 2rc5B1 PRO 34 HA -0.02 -0.00 0.34 -0.51 4.44 4.25 2rc5B1 PRO 34 HB2 -0.03 0.23 -0.28 -0.04 2.28 2.16 2rc5B1 PRO 34 HB3 -0.02 -0.04 -0.11 -0.04 2.02 1.80 2rc5B1 PRO 34 HG2 -0.02 -0.18 0.09 -0.04 2.03 1.87 2rc5B1 PRO 34 HG3 -0.01 0.04 0.09 -0.04 2.03 2.11 2rc5B1 PRO 34 HD2 -0.00 0.04 0.13 -0.04 3.68 3.81 2rc5B1 PRO 34 HD3 0.01 0.35 0.29 -0.04 3.65 4.25 2rc5B1 GLU 35 H -0.01 0.05 0.13 -0.55 8.60 8.22 2rc5B1 GLU 35 HA 0.00 0.02 0.57 -0.75 4.29 4.13 2rc5B1 GLU 35 HB2 -0.01 -0.04 0.14 -0.04 2.09 2.14 2rc5B1 GLU 35 HB3 -0.00 0.08 0.01 -0.04 1.99 2.03 2rc5B1 GLU 35 HG2 0.01 -0.01 0.07 -0.04 2.34 2.37 2rc5B1 GLU 35 HG3 -0.01 0.03 0.06 -0.04 2.34 2.39 2rc5B1 THR 36 H 0.01 0.04 0.12 -0.55 8.28 7.91 2rc5B1 THR 36 HA -0.01 0.06 0.33 -0.75 4.39 4.02 2rc5B1 THR 36 HB 0.03 -0.04 0.12 -0.04 4.32 4.39 2rc5B1 THR 36 HG23 0.02 -0.01 0.04 -0.04 1.22 1.23 2rc5B1 GLY 37 H -0.04 0.21 0.10 -0.55 8.43 8.15 2rc5B1 GLY 37 HA2 -0.04 0.01 0.33 -0.51 4.01 3.81 2rc5B1 GLY 37 HA3 -0.02 0.02 0.46 -0.51 4.01 3.97 2rc5B1 THR 38 H -0.02 0.48 -0.63 -0.55 8.28 7.56 2rc5B1 THR 38 HA -0.03 0.05 0.69 -0.75 4.39 4.35 2rc5B1 THR 38 HB -0.02 0.16 -0.02 -0.04 4.32 4.40 2rc5B1 THR 38 HG23 -0.02 -0.04 0.05 -0.04 1.22 1.17 2rc5B1 GLY 39 H -0.04 0.04 0.09 -0.55 8.43 7.98 2rc5B1 GLY 39 HA2 -0.05 -0.04 0.34 -0.51 4.01 3.75 2rc5B1 GLY 39 HA3 -0.06 0.10 0.50 -0.51 4.01 4.04 2rc5B1 LYS 40 H -0.14 -0.02 0.13 -0.55 8.42 7.84 2rc5B1 LYS 40 HA -0.18 0.15 0.12 -0.75 4.32 3.65 2rc5B1 LYS 40 HB2 -0.23 -0.16 0.11 -0.04 1.87 1.55 2rc5B1 LYS 40 HB3 -0.28 0.08 0.01 -0.04 1.79 1.56 2rc5B1 LYS 40 HG2 -0.04 0.11 -0.00 -0.04 1.46 1.49 2rc5B1 LYS 40 HG3 -0.05 -0.05 0.04 -0.04 1.46 1.35 2rc5B1 LYS 40 HD2 0.07 -0.29 0.09 -0.04 1.69 1.52 2rc5B1 LYS 40 HD3 0.12 0.07 0.05 -0.04 1.68 1.87 2rc5B1 LYS 40 HE2 0.02 0.10 0.02 -0.04 2.99 3.08 2rc5B1 LYS 40 HE3 0.02 0.01 0.03 -0.04 2.99 3.00 2rc5B1 ARG 41 H -0.40 -0.07 -0.08 -0.55 8.46 7.36 2rc5B1 ARG 41 HA -0.80 0.03 0.35 -0.75 4.34 3.17 2rc5B1 ARG 41 HB2 -0.20 -0.20 0.04 -0.04 1.90 1.50 2rc5B1 ARG 41 HB3 -0.16 -0.04 0.02 -0.04 1.80 1.58 2rc5B1 ARG 41 HG2 -0.10 0.44 -0.32 -0.04 1.67 1.64 2rc5B1 ARG 41 HG3 0.03 -0.07 -0.03 -0.04 1.67 1.56 2rc5B1 ARG 41 HD2 -0.07 -0.22 -0.24 -0.04 3.22 2.66 2rc5B1 ARG 41 HD3 -0.08 0.30 -0.35 -0.04 3.22 3.05 2rc5B1 PRO 42 HA -0.08 0.09 0.56 -0.51 4.44 4.50 2rc5B1 PRO 42 HB2 -0.02 0.09 0.00 -0.04 2.28 2.31 2rc5B1 PRO 42 HB3 -0.03 -0.09 0.14 -0.04 2.02 1.99 2rc5B1 PRO 42 HG2 0.01 -0.05 0.07 -0.04 2.03 2.02 2rc5B1 PRO 42 HG3 -0.07 0.08 0.07 -0.04 2.03 2.07 2rc5B1 PRO 42 HD2 -0.03 0.01 0.21 -0.04 3.68 3.83 2rc5B1 PRO 42 HD3 -0.35 0.37 0.33 -0.04 3.65 3.96 2rc5B1 LYS 43 H -0.03 -0.07 0.21 -0.55 8.42 7.97 2rc5B1 LYS 43 HA -0.04 -0.01 -0.00 -0.75 4.32 3.51 2rc5B1 LYS 44 H -0.00 0.10 0.10 -0.55 8.42 8.06 2rc5B1 LYS 44 HA 0.01 -0.04 0.07 -0.75 4.32 3.60 2rc5B1 GLU 45 H 0.01 0.10 -0.03 -0.55 8.60 8.12 2rc5B1 GLU 45 HA 0.01 -0.08 0.26 -0.75 4.29 3.72 2rc5B1 GLU 45 HB2 0.00 0.25 -0.07 -0.04 2.09 2.24 2rc5B1 GLU 45 HB3 -0.00 0.13 0.13 -0.04 1.99 2.21 2rc5B1 GLU 45 HG2 0.06 -0.07 0.08 -0.04 2.34 2.38 2rc5B1 GLU 45 HG3 0.05 -0.08 -0.04 -0.04 2.34 2.23 2rc5B1 GLY 46 H -0.11 0.13 -0.22 -0.55 8.43 7.68 2rc5B1 GLY 46 HA2 -0.69 -0.05 0.28 -0.51 4.01 3.05 2rc5B1 GLY 46 HA3 -0.69 0.05 0.15 -0.51 4.01 3.01 2rc5B1 GLU 47 H -2.56 0.01 0.12 -0.55 8.60 5.62 2rc5B1 GLU 47 HA -0.19 0.22 0.86 -0.75 4.29 4.43 2rc5B1 GLU 47 HB2 0.28 -0.08 0.11 -0.04 2.09 2.37 2rc5B1 GLU 47 HB3 0.10 -0.05 -0.02 -0.04 1.99 1.97 2rc5B1 GLU 47 HG2 0.03 -0.03 0.05 -0.04 2.34 2.35 2rc5B1 GLU 47 HG3 0.01 0.13 -0.08 -0.04 2.34 2.36 2rc5B1 ALA 48 H -0.04 0.22 0.05 -0.55 8.40 8.08 2rc5B1 ALA 48 HA 0.05 0.15 0.65 -0.75 4.34 4.43 2rc5B1 ALA 48 HB3 0.04 0.01 0.07 -0.04 1.41 1.49 2rc5B1 LEU 49 H 0.10 0.22 0.01 -0.55 8.37 8.15 2rc5B1 LEU 49 HA 0.07 0.22 0.66 -0.75 4.35 4.54 2rc5B1 LEU 49 HB2 0.13 -0.08 0.17 -0.04 1.64 1.81 2rc5B1 LEU 49 HB3 0.17 0.08 -0.02 -0.04 1.64 1.83 2rc5B1 LEU 49 HG 0.07 -0.14 -0.23 -0.04 1.64 1.30 2rc5B1 LEU 49 HD13 0.11 0.01 -0.01 -0.04 0.93 0.99 2rc5B1 LEU 49 HD23 0.05 0.04 -0.10 -0.04 0.89 0.84 2rc5B1 VAL 50 H 0.05 0.21 0.27 -0.55 8.24 8.22 2rc5B1 VAL 50 HA 0.14 0.33 1.16 -0.75 4.13 5.00 2rc5B1 VAL 50 HB 0.07 -0.02 0.01 -0.04 2.12 2.14 2rc5B1 VAL 50 HG13 0.10 -0.00 -0.35 -0.04 0.97 0.67 2rc5B1 VAL 50 HG23 0.10 0.02 -0.21 -0.04 0.95 0.82 2rc5B1 HIS 51 H 0.18 0.84 0.35 -0.55 8.41 9.23 2rc5B1 HIS 51 HA -0.00 0.23 0.99 -0.75 4.63 5.09 2rc5B1 HIS 51 HB2 -0.05 0.00 0.03 -0.04 3.26 3.21 2rc5B1 HIS 51 HB3 -0.04 0.07 -0.26 -0.04 3.20 2.92 2rc5B1 HIS 51 HD2 -0.00 -0.09 -0.41 -0.04 6.97 6.42 2rc5B1 HIS 51 HE1 -0.02 0.06 -0.02 -0.04 7.75 7.72 2rc5B1 ARG 52 H -0.00 0.62 0.30 -0.55 8.46 8.83 2rc5B1 ARG 52 HA 0.02 0.25 0.98 -0.75 4.34 4.83 2rc5B1 ARG 52 HB2 -0.01 -0.06 0.08 -0.04 1.90 1.87 2rc5B1 ARG 52 HB3 -0.02 -0.03 0.17 -0.04 1.80 1.89 2rc5B1 ARG 52 HG2 -0.04 0.01 -0.29 -0.04 1.67 1.31 2rc5B1 ARG 52 HG3 -0.04 0.01 -0.07 -0.04 1.67 1.53 2rc5B1 ARG 52 HD2 -0.04 -0.05 -0.06 -0.04 3.22 3.03 2rc5B1 ARG 52 HD3 -0.04 -0.01 -0.07 -0.04 3.22 3.06 2rc5B1 ILE 53 H 0.02 0.70 0.27 -0.55 8.25 8.69 2rc5B1 ILE 53 HA -0.00 0.30 1.04 -0.75 4.18 4.76 2rc5B1 ILE 53 HB 0.07 -0.10 0.11 -0.04 1.89 1.92 2rc5B1 ILE 53 HG12 -0.05 0.16 -0.10 -0.04 1.49 1.46 2rc5B1 ILE 53 HG13 0.03 -0.18 -0.58 -0.04 1.21 0.45 2rc5B1 ILE 53 HG23 -0.02 0.02 -0.17 -0.04 0.93 0.72 2rc5B1 ILE 53 HD13 -0.16 -0.03 -0.23 -0.04 0.88 0.43 2rc5B1 VAL 54 H -0.03 0.63 0.26 -0.55 8.24 8.56 2rc5B1 VAL 54 HA -0.09 0.24 0.95 -0.75 4.13 4.47 2rc5B1 VAL 54 HB -0.03 -0.15 0.17 -0.04 2.12 2.07 2rc5B1 VAL 54 HG13 -0.04 0.01 -0.19 -0.04 0.97 0.71 2rc5B1 VAL 54 HG23 -0.05 0.01 -0.18 -0.04 0.95 0.69 2rc5B1 LEU 55 H -0.10 0.80 0.36 -0.55 8.37 8.88 2rc5B1 LEU 55 HA -0.03 0.12 1.11 -0.75 4.35 4.80 2rc5B1 LEU 55 HB2 -0.06 -0.06 0.01 -0.04 1.64 1.49 2rc5B1 LEU 55 HB3 -0.03 0.08 -0.19 -0.04 1.64 1.46 2rc5B1 LEU 55 HG 0.04 -0.01 -0.26 -0.04 1.64 1.37 2rc5B1 LEU 55 HD13 0.09 -0.00 -0.19 -0.04 0.93 0.79 2rc5B1 LEU 55 HD23 -0.02 0.02 -0.33 -0.04 0.89 0.52 2rc5B1 ALA 56 H -0.03 0.61 0.29 -0.55 8.40 8.73 2rc5B1 ALA 56 HA 0.01 0.12 0.73 -0.75 4.34 4.44 2rc5B1 ALA 56 HB3 -0.01 -0.01 0.13 -0.04 1.41 1.48 2rc5B1 ILE 57 H 0.04 0.65 0.46 -0.55 8.25 8.85 2rc5B1 ILE 57 HA 0.16 0.16 0.79 -0.75 4.18 4.54 2rc5B1 ILE 57 HB 0.19 -0.06 -0.03 -0.04 1.89 1.96 2rc5B1 ILE 57 HG12 0.08 -0.11 -0.40 -0.04 1.49 1.01 2rc5B1 ILE 57 HG13 0.08 -0.05 -0.58 -0.04 1.21 0.61 2rc5B1 ILE 57 HG23 0.04 0.01 -0.33 -0.04 0.93 0.61 2rc5B1 ILE 57 HD13 0.19 0.03 -0.23 -0.04 0.88 0.83 2rc5B1 ASP 58 H 0.30 0.23 0.06 -0.55 8.40 8.44 2rc5B1 ASP 58 HA 0.05 0.17 0.82 -0.75 4.63 4.91 2rc5B1 ASP 58 HB2 0.11 0.10 0.04 -0.04 2.71 2.92 2rc5B1 ASP 58 HB3 0.16 0.00 0.20 -0.04 2.70 3.03 2rc5B1 HIS 59 H 0.04 0.25 0.01 -0.55 8.41 8.16 2rc5B1 HIS 59 HA -0.06 0.23 0.18 -0.75 4.63 4.22 2rc5B1 HIS 59 HB2 -0.32 0.20 0.06 -0.04 3.26 3.16 2rc5B1 HIS 59 HB3 -0.54 -0.02 0.04 -0.04 3.20 2.64 2rc5B1 HIS 59 HD2 -0.09 0.10 -0.16 -0.04 6.97 6.78 2rc5B1 HIS 59 HE1 -0.07 -0.02 -0.04 -0.04 7.75 7.57 2rc5B1 SER 60 H -0.45 -0.04 -0.36 -0.55 8.46 7.07 2rc5B1 SER 60 HA -0.31 0.20 0.61 -0.75 4.49 4.24 2rc5B1 SER 60 HB2 -0.17 -0.08 -0.01 -0.04 3.95 3.65 2rc5B1 SER 60 HB3 -0.15 0.04 -0.02 -0.04 3.93 3.76 2rc5B1 ALA 61 H -0.05 0.02 -0.19 -0.55 8.40 7.64 2rc5B1 ALA 61 HA 0.07 0.11 0.64 -0.75 4.34 4.41 2rc5B1 ALA 61 HB3 0.15 -0.01 0.08 -0.04 1.41 1.59 2rc5B1 TYR 62 H 0.00 0.35 -0.18 -0.55 8.29 7.91 2rc5B1 TYR 62 HA 0.04 0.22 0.79 -0.75 4.56 4.85 2rc5B1 TYR 62 HB2 -0.67 -0.08 -0.16 -0.04 3.06 2.11 2rc5B1 TYR 62 HB3 -0.05 -0.05 0.08 -0.04 2.98 2.92 2rc5B1 TYR 62 HD2 -0.18 -0.01 -0.13 -0.04 7.15 6.78 2rc5B1 TYR 62 HE2 0.12 -0.04 -0.22 -0.04 6.85 6.67 2rc5B1 PRO 63 HA -0.05 0.18 0.50 -0.51 4.44 4.56 2rc5B1 PRO 63 HB2 -0.05 0.01 0.19 -0.04 2.28 2.39 2rc5B1 PRO 63 HB3 -0.06 0.09 0.12 -0.04 2.02 2.13 2rc5B1 PRO 63 HG2 -0.09 -0.07 0.01 -0.04 2.03 1.84 2rc5B1 PRO 63 HG3 -0.08 0.03 -0.01 -0.04 2.03 1.93 2rc5B1 PRO 63 HD2 -0.15 0.06 -0.10 -0.04 3.68 3.45 2rc5B1 PRO 63 HD3 -0.07 0.15 -0.76 -0.04 3.65 2.93 2rc5B1 TYR 64 H 0.14 0.47 -0.04 -0.55 8.29 8.31 2rc5B1 TYR 64 HA -0.00 0.01 0.38 -0.75 4.56 4.20 2rc5B1 TYR 64 HB2 0.14 -0.06 0.08 -0.04 3.06 3.18 2rc5B1 TYR 64 HB3 0.31 -0.05 0.02 -0.04 2.98 3.22 2rc5B1 TYR 64 HD2 0.18 0.04 -0.30 -0.04 7.15 7.02 2rc5B1 TYR 64 HE2 0.02 0.05 -0.22 -0.04 6.85 6.65 2rc5B1 VAL 65 H 0.22 0.14 0.24 -0.55 8.24 8.29 2rc5B1 VAL 65 HA 0.04 0.15 0.79 -0.75 4.13 4.36 2rc5B1 VAL 65 HB 0.07 -0.10 0.09 -0.04 2.12 2.14 2rc5B1 VAL 65 HG13 0.04 0.02 -0.06 -0.04 0.97 0.93 2rc5B1 VAL 65 HG23 0.01 0.07 -0.12 -0.04 0.95 0.87 2rc5B1 ILE 66 H 0.08 0.12 0.14 -0.55 8.25 8.04 2rc5B1 ILE 66 HA 0.13 0.11 0.56 -0.75 4.18 4.22 2rc5B1 ILE 66 HB 0.07 -0.04 0.06 -0.04 1.89 1.94 2rc5B1 ILE 66 HG12 -0.06 -0.14 -0.35 -0.04 1.49 0.90 2rc5B1 ILE 66 HG13 -0.05 0.02 -0.09 -0.04 1.21 1.05 2rc5B1 ILE 66 HG23 -0.04 0.01 -0.02 -0.04 0.93 0.84 2rc5B1 ILE 66 HD13 -0.01 0.07 -0.14 -0.04 0.88 0.75 2rc5B1 GLY 67 H 0.06 0.21 0.23 -0.55 8.43 8.38 2rc5B1 GLY 67 HA2 0.35 -0.14 0.40 -0.51 4.01 4.11 2rc5B1 GLY 67 HA3 0.22 0.53 0.98 -0.51 4.01 5.22 2rc5B1 GLN 68 H 0.12 0.32 -0.02 -0.55 8.47 8.35 2rc5B1 GLN 68 HA 0.10 0.15 0.78 -0.75 4.36 4.64 2rc5B1 GLN 68 HB2 0.16 0.17 0.21 -0.04 2.15 2.65 2rc5B1 GLN 68 HB3 0.12 -0.08 0.16 -0.04 2.02 2.18 2rc5B1 GLN 68 HG2 0.10 0.29 -0.08 -0.04 2.40 2.67 2rc5B1 GLN 68 HG3 0.12 -0.02 -0.15 -0.04 2.39 2.30 2rc5B1 GLN 68 HE21 0.03 0.38 -0.11 -0.04 6.97 7.23 2rc5B1 GLN 68 HE22 0.06 0.30 -0.20 -0.04 7.69 7.81 2rc5B1 SER 69 H 0.06 0.75 0.45 -0.55 8.46 9.18 2rc5B1 SER 69 HA 0.07 0.12 0.91 -0.75 4.49 4.84 2rc5B1 SER 69 HB2 0.01 -0.03 0.06 -0.04 3.95 3.95 2rc5B1 SER 69 HB3 -0.04 -0.06 -0.12 -0.04 3.93 3.67 2rc5B1 GLY 70 H 0.28 0.67 0.30 -0.55 8.43 9.14 2rc5B1 GLY 70 HA2 0.31 0.18 0.96 -0.51 4.01 4.95 2rc5B1 GLY 70 HA3 0.42 0.07 0.36 -0.51 4.01 4.34 2rc5B1 GLY 71 H 0.19 0.70 0.24 -0.55 8.43 9.01 2rc5B1 GLY 71 HA2 -0.02 0.18 0.77 -0.51 4.01 4.43 2rc5B1 GLY 71 HA3 0.06 -0.06 0.20 -0.51 4.01 3.70 2rc5B1 VAL 72 H 0.00 0.71 0.31 -0.55 8.24 8.71 2rc5B1 VAL 72 HA 0.04 0.38 1.00 -0.75 4.13 4.80 2rc5B1 VAL 72 HB 0.14 -0.09 0.06 -0.04 2.12 2.20 2rc5B1 VAL 72 HG13 0.12 0.00 -0.25 -0.04 0.97 0.80 2rc5B1 VAL 72 HG23 -0.12 0.00 -0.29 -0.04 0.95 0.51 2rc5B1 ILE 73 H 0.03 0.56 0.07 -0.55 8.25 8.36 2rc5B1 ILE 73 HA 0.01 0.18 0.75 -0.75 4.18 4.36 2rc5B1 ILE 73 HB 0.00 -0.03 0.06 -0.04 1.89 1.88 2rc5B1 ILE 73 HG12 0.03 -0.01 -0.14 -0.04 1.49 1.33 2rc5B1 ILE 73 HG13 0.04 -0.12 -0.29 -0.04 1.21 0.79 2rc5B1 ILE 73 HG23 0.02 0.12 -0.11 -0.04 0.93 0.92 2rc5B1 ILE 73 HD13 0.04 -0.01 -0.13 -0.04 0.88 0.73 2rc5B1 PRO 74 HA -0.73 0.13 0.65 -0.51 4.44 3.99 2rc5B1 PRO 74 HB2 -0.44 0.13 -0.11 -0.04 2.28 1.82 2rc5B1 PRO 74 HB3 -0.32 -0.05 -0.00 -0.04 2.02 1.61 2rc5B1 PRO 74 HG2 -0.36 -0.02 -0.00 -0.04 2.03 1.61 2rc5B1 PRO 74 HG3 -0.18 -0.16 0.01 -0.04 2.03 1.65 2rc5B1 PRO 74 HD2 0.01 0.20 0.09 -0.04 3.68 3.94 2rc5B1 PRO 74 HD3 -0.02 0.24 0.03 -0.04 3.65 3.86 2rc5B1 PRO 75 HA -0.07 0.09 0.48 -0.51 4.44 4.44 2rc5B1 PRO 75 HB2 -0.06 -0.01 -0.01 -0.04 2.28 2.16 2rc5B1 PRO 75 HB3 -0.11 0.06 0.12 -0.04 2.02 2.04 2rc5B1 PRO 75 HG2 -0.22 -0.01 0.04 -0.04 2.03 1.80 2rc5B1 PRO 75 HG3 -0.19 0.06 0.07 -0.04 2.03 1.94 2rc5B1 PRO 75 HD2 -1.48 0.02 0.21 -0.04 3.68 2.38 2rc5B1 PRO 75 HD3 -1.06 0.20 0.22 -0.04 3.65 2.96 2rc5B1 GLY 76 H -0.00 0.12 0.17 -0.55 8.43 8.18 2rc5B1 GLY 76 HA2 0.01 0.00 0.29 -0.51 4.01 3.80 2rc5B1 GLY 76 HA3 0.14 0.18 0.68 -0.51 4.01 4.50 2rc5B1 GLU 77 H -0.07 0.18 0.12 -0.55 8.60 8.29 2rc5B1 GLU 77 HA -0.29 0.23 0.80 -0.75 4.29 4.27 2rc5B1 GLU 77 HB2 -0.09 -0.04 0.05 -0.04 2.09 1.97 2rc5B1 GLU 77 HB3 -0.13 0.05 -0.11 -0.04 1.99 1.76 2rc5B1 GLU 77 HG2 -0.09 0.08 -0.19 -0.04 2.34 2.11 2rc5B1 GLU 77 HG3 -0.06 -0.10 -0.18 -0.04 2.34 1.96 2rc5B1 ASP 78 H -0.57 0.79 0.22 -0.55 8.40 8.29 2rc5B1 ASP 78 HA -0.48 0.10 0.58 -0.75 4.63 4.07 2rc5B1 ASP 78 HB2 -0.52 0.13 0.02 -0.04 2.71 2.30 2rc5B1 ASP 78 HB3 -0.21 -0.08 0.15 -0.04 2.70 2.52 2rc5B1 PRO 79 HA -0.05 0.11 0.42 -0.51 4.44 4.41 2rc5B1 PRO 79 HB2 -0.00 0.04 0.01 -0.04 2.28 2.29 2rc5B1 PRO 79 HB3 -0.00 0.08 0.14 -0.04 2.02 2.19 2rc5B1 PRO 79 HG2 0.03 -0.02 0.10 -0.04 2.03 2.09 2rc5B1 PRO 79 HG3 0.05 0.08 0.12 -0.04 2.03 2.23 2rc5B1 PRO 79 HD2 0.06 0.01 0.31 -0.04 3.68 4.02 2rc5B1 PRO 79 HD3 0.01 0.38 0.36 -0.04 3.65 4.35 2rc5B1 GLU 80 H -0.03 0.10 -0.23 -0.55 8.60 7.89 2rc5B1 GLU 80 HA -0.02 0.14 0.55 -0.75 4.29 4.20 2rc5B1 GLU 80 HB2 -0.01 -0.04 0.09 -0.04 2.09 2.10 2rc5B1 GLU 80 HB3 -0.02 0.06 -0.08 -0.04 1.99 1.91 2rc5B1 GLU 80 HG2 -0.02 0.04 0.07 -0.04 2.34 2.39 2rc5B1 GLU 80 HG3 -0.02 -0.01 0.03 -0.04 2.34 2.30 2rc5B1 LYS 81 H -0.07 0.14 -0.24 -0.55 8.42 7.69 2rc5B1 LYS 81 HA -0.04 0.12 0.57 -0.75 4.32 4.22 2rc5B1 LYS 81 HB2 -0.11 0.17 0.13 -0.04 1.87 2.02 2rc5B1 LYS 81 HB3 -0.07 -0.22 -0.00 -0.04 1.79 1.46 2rc5B1 LYS 81 HG2 -0.04 0.03 -0.01 -0.04 1.46 1.40 2rc5B1 LYS 81 HG3 -0.05 -0.10 -0.05 -0.04 1.46 1.22 2rc5B1 LYS 81 HD2 -0.09 0.17 -0.30 -0.04 1.69 1.42 2rc5B1 LYS 81 HD3 -0.05 -0.05 -0.16 -0.04 1.68 1.37 2rc5B1 LYS 81 HE2 -0.02 -0.02 -0.03 -0.04 2.99 2.87 2rc5B1 LYS 81 HE3 -0.01 -0.12 -0.03 -0.04 2.99 2.79 2rc5B1 LYS 82 H -0.07 0.42 -0.06 -0.55 8.42 8.16 2rc5B1 LYS 82 HA -0.05 0.09 0.52 -0.75 4.32 4.13 2rc5B1 LYS 82 HB2 -0.07 0.04 0.01 -0.04 1.87 1.82 2rc5B1 LYS 82 HB3 -0.04 0.06 -0.03 -0.04 1.79 1.74 2rc5B1 LYS 82 HG2 -0.03 -0.02 -0.04 -0.04 1.46 1.32 2rc5B1 LYS 82 HG3 -0.03 0.03 0.05 -0.04 1.46 1.46 2rc5B1 LYS 82 HD2 -0.06 -0.01 -0.07 -0.04 1.69 1.51 2rc5B1 LYS 82 HD3 -0.05 -0.03 -0.08 -0.04 1.68 1.48 2rc5B1 LYS 82 HE2 -0.04 0.03 -0.02 -0.04 2.99 2.92 2rc5B1 LYS 82 HE3 -0.04 -0.01 -0.05 -0.04 2.99 2.85 2rc5B1 ALA 83 H -0.03 0.17 -0.50 -0.55 8.40 7.48 2rc5B1 ALA 83 HA -0.02 0.04 0.40 -0.75 4.34 4.00 2rc5B1 ALA 83 HB3 -0.02 0.04 0.10 -0.04 1.41 1.49 2rc5B1 LYS 84 H -0.03 0.19 -0.61 -0.55 8.42 7.41 2rc5B1 LYS 84 HA -0.02 0.14 0.42 -0.75 4.32 4.10 2rc5B1 LYS 84 HB2 -0.02 0.08 0.12 -0.04 1.87 2.01 2rc5B1 LYS 84 HB3 -0.02 -0.03 0.07 -0.04 1.79 1.77 2rc5B1 LYS 84 HG2 -0.02 -0.03 -0.04 -0.04 1.46 1.33 2rc5B1 LYS 84 HG3 -0.02 0.16 0.02 -0.04 1.46 1.58 2rc5B1 LYS 84 HD2 -0.02 -0.05 0.04 -0.04 1.69 1.62 2rc5B1 LYS 84 HD3 -0.02 -0.03 0.02 -0.04 1.68 1.61 2rc5B1 LYS 84 HE2 -0.02 0.08 -0.08 -0.04 2.99 2.93 2rc5B1 LYS 84 HE3 -0.02 -0.06 -0.05 -0.04 2.99 2.82 2rc5B1 ASP 88 HA -0.03 -0.05 0.35 -0.75 4.63 4.14 2rc5B1 ASP 88 HB2 -0.03 -0.02 0.40 -0.04 2.71 3.03 2rc5B1 ASP 88 HB3 -0.03 0.02 -5.01 -0.04 2.70 -2.37 2rc5B1 VAL 89 H -0.06 0.12 -0.32 -0.55 8.24 7.43 2rc5B1 VAL 89 HA -0.11 -0.10 0.21 -0.75 4.13 3.38 2rc5B1 VAL 89 HB -0.06 0.12 -0.45 -0.04 2.12 1.69 2rc5B1 VAL 89 HG13 -0.10 -0.01 -0.17 -0.04 0.97 0.65 2rc5B1 VAL 89 HG23 -0.06 0.00 -0.19 -0.04 0.95 0.67 2rc5B1 GLY 90 H -0.07 0.77 0.53 -0.55 8.43 9.11 2rc5B1 GLY 90 HA2 -0.16 0.10 0.55 -0.51 4.01 3.99 2rc5B1 GLY 90 HA3 -0.06 0.08 0.35 -0.51 4.01 3.87 2rc5B1 TYR 91 H -0.07 0.27 0.13 -0.55 8.29 8.07 2rc5B1 TYR 91 HA -0.03 -0.11 0.40 -0.75 4.56 4.06 2rc5B1 TYR 91 HB2 -0.07 0.23 0.10 -0.04 3.06 3.27 2rc5B1 TYR 91 HB3 -0.04 0.04 0.01 -0.04 2.98 2.95 2rc5B1 TYR 91 HD2 -0.06 0.13 -0.20 -0.04 7.15 6.98 2rc5B1 TYR 91 HE2 -0.04 -0.01 -0.07 -0.04 6.85 6.69 2rc5B1 THR 92 H 0.09 -0.01 0.17 -0.55 8.28 7.98 2rc5B1 THR 92 HA 0.03 0.09 0.53 -0.75 4.39 4.28 2rc5B1 THR 92 HB 0.01 0.03 0.11 -0.04 4.32 4.43 2rc5B1 THR 92 HG23 0.03 -0.01 0.08 -0.04 1.22 1.28 2rc5B1 VAL 93 H 0.01 0.04 0.10 -0.55 8.24 7.84 2rc5B1 VAL 93 HA 0.00 0.27 0.37 -0.75 4.13 4.02 2rc5B1 VAL 93 HB -0.00 -0.06 0.05 -0.04 2.12 2.07 2rc5B1 VAL 93 HG13 -0.02 -0.04 -0.30 -0.04 0.97 0.57 2rc5B1 VAL 93 HG23 0.03 0.01 -0.19 -0.04 0.95 0.76 2rc5B1 ARG 94 H -0.03 0.67 0.38 -0.55 8.46 8.92 2rc5B1 ARG 94 HA -0.20 0.08 0.76 -0.75 4.34 4.24 2rc5B1 ARG 94 HB2 0.00 0.08 0.19 -0.04 1.90 2.13 2rc5B1 ARG 94 HB3 -0.52 0.03 -0.02 -0.04 1.80 1.24 2rc5B1 ARG 94 HG2 -0.05 -0.18 0.07 -0.04 1.67 1.47 2rc5B1 ARG 94 HG3 -0.14 0.02 0.13 -0.04 1.67 1.63 2rc5B1 ARG 94 HD2 -0.05 0.19 -0.28 -0.04 3.22 3.04 2rc5B1 ARG 94 HD3 -0.04 0.10 0.05 -0.04 3.22 3.29 2rc5B1 LEU 95 H -0.38 0.12 0.10 -0.55 8.37 7.67 2rc5B1 LEU 95 HA -0.21 0.30 0.76 -0.75 4.35 4.44 2rc5B1 LEU 95 HB2 -0.26 -0.04 0.04 -0.04 1.64 1.33 2rc5B1 LEU 95 HB3 -0.17 0.01 -0.09 -0.04 1.64 1.34 2rc5B1 LEU 95 HG -0.12 -0.01 -0.18 -0.04 1.64 1.29 2rc5B1 LEU 95 HD13 -0.07 0.00 -0.07 -0.04 0.93 0.75 2rc5B1 LEU 95 HD23 -0.03 0.01 -0.25 -0.04 0.89 0.58 2rc5B1 TYR 96 H -0.15 0.75 0.28 -0.55 8.29 8.61 2rc5B1 TYR 96 HA -0.26 0.04 0.80 -0.75 4.56 4.39 2rc5B1 TYR 96 HB2 -1.04 0.06 0.03 -0.04 3.06 2.07 2rc5B1 TYR 96 HB3 -0.32 0.01 -0.02 -0.04 2.98 2.60 2rc5B1 TYR 96 HD2 -0.32 0.05 -0.10 -0.04 7.15 6.73 2rc5B1 TYR 96 HE2 -0.14 -0.03 -0.07 -0.04 6.85 6.56 2rc5B1 SER 97 H -0.08 0.08 0.09 -0.55 8.46 8.01 2rc5B1 SER 97 HA -0.00 0.13 0.50 -0.75 4.49 4.37 2rc5B1 SER 97 HB2 -0.02 -0.07 0.12 -0.04 3.95 3.93 2rc5B1 SER 97 HB3 -0.10 0.12 -0.01 -0.04 3.93 3.90 2rc5B1 ILE 98 H 0.04 0.64 0.45 -0.55 8.25 8.84 2rc5B1 ILE 98 HA -0.25 0.15 0.70 -0.75 4.18 4.02 2rc5B1 ILE 98 HB -0.12 0.05 0.20 -0.04 1.89 1.97 2rc5B1 ILE 98 HG12 -0.38 -0.02 0.01 -0.04 1.49 1.05 2rc5B1 ILE 98 HG13 0.11 -0.10 0.02 -0.04 1.21 1.20 2rc5B1 ILE 98 HG23 -0.71 0.00 -0.04 -0.04 0.93 0.15 2rc5B1 ILE 98 HD13 -0.12 0.01 -0.20 -0.04 0.88 0.53 2rc5B1 ALA 99 H -0.26 0.72 0.33 -0.55 8.40 8.65 2rc5B1 ALA 99 HA -0.11 0.32 0.51 -0.75 4.34 4.31 2rc5B1 ALA 99 HB3 -0.09 -0.06 -0.09 -0.04 1.41 1.13 2rc5B1 SER 100 H -0.21 0.03 0.03 -0.55 8.46 7.77 2rc5B1 SER 100 HA -0.08 0.13 0.59 -0.75 4.49 4.38 2rc5B1 SER 100 HB2 0.06 0.27 -0.04 -0.04 3.95 4.19 2rc5B1 SER 100 HB3 -0.09 -0.08 -0.02 -0.04 3.93 3.69 2rc5B1 PRO 101 HA 0.04 0.03 0.50 -0.51 4.44 4.51 2rc5B1 PRO 101 HB2 0.13 0.00 -0.05 -0.04 2.28 2.32 2rc5B1 PRO 101 HB3 -0.14 0.08 0.13 -0.04 2.02 2.04 2rc5B1 PRO 101 HG2 0.11 0.06 0.02 -0.04 2.03 2.18 2rc5B1 PRO 101 HG3 -0.17 0.03 0.04 -0.04 2.03 1.89 2rc5B1 PRO 101 HD2 -0.03 0.04 0.19 -0.04 3.68 3.84 2rc5B1 PRO 101 HD3 -0.10 0.14 0.15 -0.04 3.65 3.80 2rc5B1 SER 102 H 0.06 0.05 0.12 -0.55 8.46 8.15 2rc5B1 SER 102 HA -0.27 0.09 0.21 -0.75 4.49 3.76 2rc5B1 SER 102 HB2 -0.00 -0.07 0.14 -0.04 3.95 3.98 2rc5B1 SER 102 HB3 -0.09 0.23 0.04 -0.04 3.93 4.07 2rc5B1 TYR 103 H 0.05 -0.06 -0.17 -0.55 8.29 7.55 2rc5B1 TYR 103 HA -0.08 0.05 0.24 -0.75 4.56 4.02 2rc5B1 TYR 103 HB2 -0.16 0.17 0.38 -0.04 3.06 3.41 2rc5B1 TYR 103 HB3 -0.20 0.02 0.09 -0.04 2.98 2.85 2rc5B1 TYR 103 HD2 -0.29 0.01 -0.03 -0.04 7.15 6.79 2rc5B1 TYR 103 HE2 -0.32 0.01 -0.14 -0.04 6.85 6.37 2rc5B1 MET 107 HA -0.23 -0.07 0.23 -0.75 4.52 3.70 2rc5B1 MET 107 HB2 -0.13 -0.07 -0.02 -0.04 2.15 1.89 2rc5B1 MET 107 HB3 -0.34 0.01 0.07 -0.04 2.03 1.73 2rc5B1 MET 107 HG2 -0.70 -0.03 0.18 -0.04 2.63 2.04 2rc5B1 MET 107 HG3 -0.04 0.14 -0.01 -0.04 2.56 2.61 2rc5B1 MET 107 HE3 0.13 0.01 -0.04 -0.04 2.10 2.15 2rc5B1 LYS 108 H -0.08 0.09 0.07 -0.55 8.42 7.95 2rc5B1 LYS 108 HA -0.01 0.01 0.28 -0.75 4.32 3.84 2rc5B1 GLU 109 H 0.03 0.07 -0.16 -0.55 8.60 7.99 2rc5B1 GLU 109 HA 0.06 0.20 0.93 -0.75 4.29 4.72 2rc5B1 GLU 109 HB2 0.03 -0.04 -0.01 -0.04 2.09 2.03 2rc5B1 GLU 109 HB3 0.03 -0.02 -0.06 -0.04 1.99 1.90 2rc5B1 GLU 109 HG2 0.01 -0.02 -0.05 -0.04 2.34 2.24 2rc5B1 GLU 109 HG3 0.02 0.14 -0.16 -0.04 2.34 2.30 2rc5B1 ASP 110 H 0.07 0.14 0.08 -0.55 8.40 8.14 2rc5B1 ASP 110 HA 0.12 0.24 0.86 -0.75 4.63 5.09 2rc5B1 ASP 110 HB2 0.03 0.03 0.06 -0.04 2.71 2.79 2rc5B1 ASP 110 HB3 0.01 0.06 0.30 -0.04 2.70 3.03 2rc5B1 ASN 111 H 0.10 0.35 0.09 -0.55 8.53 8.53 2rc5B1 ASN 111 HA 0.03 0.02 0.99 -0.75 4.76 5.05 2rc5B1 ASN 111 HB2 -0.03 0.12 0.01 -0.04 2.88 2.94 2rc5B1 ASN 111 HB3 0.01 -0.07 -0.34 -0.04 2.79 2.35 2rc5B1 ASN 111 HD21 0.01 -0.01 -0.20 -0.04 7.03 6.80 2rc5B1 ASN 111 HD22 0.01 -0.02 -0.28 -0.04 7.74 7.40 2rc5B1 ILE 112 H -0.08 0.66 0.35 -0.55 8.25 8.62 2rc5B1 ILE 112 HA -0.21 0.16 0.73 -0.75 4.18 4.11 2rc5B1 ILE 112 HB -0.16 0.08 -0.14 -0.04 1.89 1.62 2rc5B1 ILE 112 HG12 -0.94 -0.03 -0.03 -0.04 1.49 0.45 2rc5B1 ILE 112 HG13 -0.97 0.07 0.10 -0.04 1.21 0.37 2rc5B1 ILE 112 HG23 -0.26 0.00 -0.10 -0.04 0.93 0.53 2rc5B1 ILE 112 HD13 -0.37 0.00 -0.05 -0.04 0.88 0.42 2rc5B1 GLU 113 H -0.42 0.11 0.20 -0.55 8.60 7.95 2rc5B1 GLU 113 HA -0.30 0.48 1.27 -0.75 4.29 4.99 2rc5B1 GLU 113 HB2 -0.19 -0.11 -0.05 -0.04 2.09 1.70 2rc5B1 GLU 113 HB3 -0.14 0.02 -0.06 -0.04 1.99 1.77 2rc5B1 GLU 113 HG2 -0.10 0.01 -0.13 -0.04 2.34 2.08 2rc5B1 GLU 113 HG3 -0.12 -0.04 -0.38 -0.04 2.34 1.75 2rc5B1 PHE 114 H -0.09 0.64 0.37 -0.55 8.34 8.71 2rc5B1 PHE 114 HA -0.08 0.22 0.85 -0.75 4.62 4.85 2rc5B1 PHE 114 HB2 -0.15 -0.00 0.02 -0.04 3.15 2.98 2rc5B1 PHE 114 HB3 -0.13 -0.02 -0.08 -0.04 3.06 2.79 2rc5B1 PHE 114 HD2 -0.08 0.11 -0.23 -0.04 7.28 7.03 2rc5B1 PHE 114 HE2 -0.07 0.02 -0.10 -0.04 7.38 7.19 2rc5B1 PHE 114 HZ -0.09 -0.02 -0.07 -0.04 7.32 7.09 2rc5B1 ILE 115 H 0.12 0.27 0.14 -0.55 8.25 8.23 2rc5B1 ILE 115 HA 0.05 0.34 1.01 -0.75 4.18 4.82 2rc5B1 ILE 115 HB 0.06 0.01 0.25 -0.04 1.89 2.16 2rc5B1 ILE 115 HG12 0.00 -0.06 -0.15 -0.04 1.49 1.24 2rc5B1 ILE 115 HG13 0.00 -0.01 -0.05 -0.04 1.21 1.10 2rc5B1 ILE 115 HG23 0.08 -0.02 -0.15 -0.04 0.93 0.79 2rc5B1 ILE 115 HD13 -0.00 0.02 -0.12 -0.04 0.88 0.74 2rc5B1 ILE 116 H 0.04 0.76 0.23 -0.55 8.25 8.74 2rc5B1 ILE 116 HA 0.04 0.11 1.01 -0.75 4.18 4.59 2rc5B1 ILE 116 HB -0.15 0.05 -0.00 -0.04 1.89 1.74 2rc5B1 ILE 116 HG12 -0.59 0.01 -0.13 -0.04 1.49 0.73 2rc5B1 ILE 116 HG13 -0.15 -0.14 -0.54 -0.04 1.21 0.34 2rc5B1 ILE 116 HG23 -0.19 -0.00 -0.16 -0.04 0.93 0.54 2rc5B1 ILE 116 HD13 -0.79 0.03 -0.14 -0.04 0.88 -0.06 2rc5B1 LYS 117 H 0.10 0.13 0.20 -0.55 8.42 8.30 2rc5B1 LYS 117 HA 0.11 0.31 0.94 -0.75 4.32 4.92 2rc5B1 LYS 117 HB2 0.13 -0.07 0.04 -0.04 1.87 1.92 2rc5B1 LYS 117 HB3 0.13 -0.05 0.06 -0.04 1.79 1.88 2rc5B1 LYS 117 HG2 0.12 0.25 -0.14 -0.04 1.46 1.65 2rc5B1 LYS 117 HG3 0.11 -0.03 -0.15 -0.04 1.46 1.35 2rc5B1 LYS 117 HD2 0.12 -0.06 -0.02 -0.04 1.69 1.69 2rc5B1 LYS 117 HD3 0.12 -0.07 -0.00 -0.04 1.68 1.69 2rc5B1 LYS 117 HE2 0.11 0.12 0.06 -0.04 2.99 3.24 2rc5B1 LYS 117 HE3 0.09 -0.03 0.03 -0.04 2.99 3.04 2rc5B1 ARG 118 H 0.10 0.65 0.28 -0.55 8.46 8.93 2rc5B1 ARG 118 HA 0.03 -0.05 0.48 -0.75 4.34 4.05 2rc5B1 ARG 118 HB2 0.11 -0.06 0.19 -0.04 1.90 2.10 2rc5B1 ARG 118 HB3 0.07 -0.04 -0.03 -0.04 1.80 1.76 2rc5B1 ARG 118 HG2 -0.05 0.01 -0.10 -0.04 1.67 1.50 2rc5B1 ARG 118 HG3 0.04 0.12 0.03 -0.04 1.67 1.82 2rc5B1 ARG 118 HD2 0.08 -0.06 -0.01 -0.04 3.22 3.20 2rc5B1 ARG 118 HD3 0.01 -0.03 -0.03 -0.04 3.22 3.14 2rc5B1 ASP 119 H 0.05 0.05 0.15 -0.55 8.40 8.10 2rc5B1 ASP 119 HA 0.11 0.21 0.73 -0.75 4.63 4.93 2rc5B1 ASP 119 HB2 0.09 0.10 0.11 -0.04 2.71 2.97 2rc5B1 ASP 119 HB3 0.05 -0.16 0.29 -0.04 2.70 2.85 2rc5B1 ASN 120 H 0.16 0.40 0.17 -0.55 8.53 8.72 2rc5B1 ASN 120 HA -0.03 0.15 0.93 -0.75 4.76 5.06 2rc5B1 ASN 120 HB2 -0.72 0.03 -0.00 -0.04 2.88 2.15 2rc5B1 ASN 120 HB3 -0.41 0.05 0.25 -0.04 2.79 2.64 2rc5B1 ASN 120 HD21 0.06 0.01 -0.12 -0.04 7.03 6.95 2rc5B1 ASN 120 HD22 0.17 0.05 -0.07 -0.04 7.74 7.85 2rc5B1 ILE 121 H -0.13 0.25 0.34 -0.55 8.25 8.16 2rc5B1 ILE 121 HA 0.13 0.21 0.56 -0.75 4.18 4.32 2rc5B1 ILE 121 HB 0.17 -0.24 0.19 -0.04 1.89 1.97 2rc5B1 ILE 121 HG12 0.14 -0.04 -0.07 -0.04 1.49 1.48 2rc5B1 ILE 121 HG13 0.18 0.03 -0.03 -0.04 1.21 1.35 2rc5B1 ILE 121 HG23 0.17 0.04 -0.10 -0.04 0.93 1.00 2rc5B1 ILE 121 HD13 0.08 0.03 -0.15 -0.04 0.88 0.81 2rc5B1 TYR 122 H -0.32 -0.26 0.16 -0.55 8.29 7.32 2rc5B1 TYR 122 HA -0.00 0.05 0.35 -0.75 4.56 4.21 2rc5B1 TYR 122 HB2 0.03 0.19 -0.01 -0.04 3.06 3.23 2rc5B1 TYR 122 HB3 0.02 0.01 -0.10 -0.04 2.98 2.87 2rc5B1 TYR 122 HD2 0.03 0.25 -0.43 -0.04 7.15 6.96 2rc5B1 TYR 122 HE2 0.03 0.11 0.00 -0.04 6.85 6.95 2rc5B1 ASP 123 H 0.04 0.60 0.17 -0.55 8.40 8.66 2rc5B1 ASP 123 HA 0.04 0.20 0.66 -0.75 4.63 4.78 2rc5B1 ASP 123 HB2 0.00 -0.05 0.19 -0.04 2.71 2.82 2rc5B1 ASP 123 HB3 -0.03 0.05 0.08 -0.04 2.70 2.76 2rc5B1 GLU 124 H 0.03 0.18 0.17 -0.55 8.60 8.43 2rc5B1 GLU 124 HA 0.04 0.14 0.34 -0.75 4.29 4.05 2rc5B1 GLU 124 HB2 0.02 -0.03 0.11 -0.04 2.09 2.15 2rc5B1 GLU 124 HB3 0.02 0.06 0.05 -0.04 1.99 2.08 2rc5B1 GLU 124 HG2 0.03 0.05 0.08 -0.04 2.34 2.46 2rc5B1 GLU 124 HG3 0.03 -0.04 0.13 -0.04 2.34 2.41 2rc5B1 ASN 125 H 0.03 0.02 -0.28 -0.55 8.53 7.75 2rc5B1 ASN 125 HA 0.02 0.17 0.60 -0.75 4.76 4.80 2rc5B1 ASN 125 HB2 0.02 -0.08 0.02 -0.04 2.88 2.79 2rc5B1 ASN 125 HB3 0.01 0.07 0.10 -0.04 2.79 2.93 2rc5B1 ASN 125 HD21 0.01 0.03 -0.03 -0.04 7.03 7.00 2rc5B1 ASN 125 HD22 0.01 0.06 -0.00 -0.04 7.74 7.77 2rc5B1 GLY 126 H 0.06 0.50 -0.36 -0.55 8.43 8.09 2rc5B1 GLY 126 HA2 0.08 -0.01 0.37 -0.51 4.01 3.95 2rc5B1 GLY 126 HA3 0.02 0.40 0.84 -0.51 4.01 4.77 2rc5B1 ASN 127 H 0.07 -0.08 -0.28 -0.55 8.53 7.69 2rc5B1 ASN 127 HA 0.10 0.19 0.66 -0.75 4.76 4.96 2rc5B1 ASN 127 HB2 0.01 -0.09 -0.03 -0.04 2.88 2.73 2rc5B1 ASN 127 HB3 0.01 0.08 0.02 -0.04 2.79 2.86 2rc5B1 ASN 127 HD21 0.01 0.07 -0.06 -0.04 7.03 7.01 2rc5B1 ASN 127 HD22 0.01 -0.09 -0.05 -0.04 7.74 7.58 2rc5B1 ILE 128 H 0.00 0.19 0.11 -0.55 8.25 8.00 2rc5B1 ILE 128 HA -0.34 -0.12 0.47 -0.75 4.18 3.43 2rc5B1 ILE 128 HB -0.11 0.07 0.06 -0.04 1.89 1.87 2rc5B1 ILE 128 HG12 -0.68 -0.05 0.00 -0.04 1.49 0.72 2rc5B1 ILE 128 HG13 -0.10 0.03 0.03 -0.04 1.21 1.14 2rc5B1 ILE 128 HG23 -0.21 0.01 -0.32 -0.04 0.93 0.36 2rc5B1 ILE 128 HD13 -0.03 0.02 -0.02 -0.04 0.88 0.81 2rc5B1 GLN 129 H -0.23 -0.17 0.27 -0.55 8.47 7.79 2rc5B1 GLN 129 HA -0.35 0.23 0.80 -0.75 4.36 4.28 2rc5B1 GLN 129 HB2 -0.17 -0.04 -0.02 -0.04 2.15 1.88 2rc5B1 GLN 129 HB3 -0.31 -0.03 0.05 -0.04 2.02 1.68 2rc5B1 GLN 129 HG2 -1.04 0.03 -0.03 -0.04 2.40 1.33 2rc5B1 GLN 129 HG3 -0.31 0.02 0.05 -0.04 2.39 2.11 2rc5B1 GLN 129 HE21 0.05 0.02 -0.01 -0.04 6.97 6.98 2rc5B1 GLN 129 HE22 -0.08 0.02 -0.00 -0.04 7.69 7.58 2rc5B1 PHE 130 H -0.13 -0.12 0.27 -0.55 8.34 7.81 2rc5B1 PHE 130 HA -0.05 0.27 0.90 -0.75 4.62 4.99 2rc5B1 PHE 130 HB2 -0.04 -0.08 0.06 -0.04 3.15 3.05 2rc5B1 PHE 130 HB3 -0.03 0.10 0.02 -0.04 3.06 3.11 2rc5B1 PHE 130 HD2 -0.01 -0.01 -0.00 -0.04 7.28 7.21 2rc5B1 PHE 130 HE2 -0.00 0.02 -0.03 -0.04 7.38 7.33 2rc5B1 PHE 130 HZ -0.00 0.02 -0.03 -0.04 7.32 7.27 2rc5B1 LYS 131 H 0.11 0.29 0.16 -0.55 8.42 8.42 2rc5B1 LYS 131 HA -0.03 0.08 0.98 -0.75 4.32 4.59 2rc5B1 LYS 131 HB2 0.01 0.02 0.07 -0.04 1.87 1.92 2rc5B1 LYS 131 HB3 -0.01 0.13 -0.10 -0.04 1.79 1.77 2rc5B1 LYS 131 HG2 -0.05 0.00 -0.03 -0.04 1.46 1.34 2rc5B1 LYS 131 HG3 -0.07 -0.10 -0.23 -0.04 1.46 1.02 2rc5B1 LYS 131 HD2 -0.02 0.02 -0.06 -0.04 1.69 1.59 2rc5B1 LYS 131 HD3 -0.02 0.06 -0.06 -0.04 1.68 1.62 2rc5B1 LYS 131 HE2 -0.05 -0.07 -0.08 -0.04 2.99 2.74 2rc5B1 LYS 131 HE3 -0.02 0.05 -0.05 -0.04 2.99 2.92 2rc5B1 GLY 132 H 0.00 0.41 0.28 -0.55 8.43 8.58 2rc5B1 GLY 132 HA2 -0.01 0.05 0.71 -0.51 4.01 4.25 2rc5B1 GLY 132 HA3 0.01 0.04 0.48 -0.51 4.01 4.02 2rc5B1 VAL 133 H -0.08 0.16 0.22 -0.55 8.24 7.99 2rc5B1 VAL 133 HA -0.13 0.14 0.32 -0.75 4.13 3.72 2rc5B1 VAL 133 HB -0.40 -0.05 0.20 -0.04 2.12 1.82 2rc5B1 VAL 133 HG13 -1.10 0.03 -0.12 -0.04 0.97 -0.26 2rc5B1 VAL 133 HG23 -0.17 0.02 0.08 -0.04 0.95 0.84 2rc5B1 CYS 134 H -0.08 0.08 0.05 -0.55 8.50 8.00 2rc5B1 CYS 134 HA 0.04 0.18 0.30 -0.75 4.58 4.36 2rc5B1 CYS 134 HB2 -0.03 0.06 0.12 -0.04 2.97 3.08 2rc5B1 CYS 134 HB3 0.15 -0.04 0.04 -0.04 2.97 3.08 2rc5B1 SER 135 H 0.04 0.02 -0.11 -0.55 8.46 7.87 2rc5B1 SER 135 HA -0.07 0.12 0.35 -0.75 4.49 4.14 2rc5B1 SER 135 HB2 0.03 0.43 0.18 -0.04 3.95 4.55 2rc5B1 SER 135 HB3 0.10 0.02 0.19 -0.04 3.93 4.20 2rc5B1 ASN 136 H -0.02 0.22 -0.18 -0.55 8.53 8.01 2rc5B1 ASN 136 HA -0.08 0.02 0.43 -0.75 4.76 4.37 2rc5B1 ASN 136 HB2 -0.02 0.30 0.07 -0.04 2.88 3.19 2rc5B1 ASN 136 HB3 -0.03 0.03 -0.08 -0.04 2.79 2.67 2rc5B1 ASN 136 HD21 -0.01 -0.12 -0.06 -0.04 7.03 6.80 2rc5B1 ASN 136 HD22 -0.01 0.52 0.15 -0.04 7.74 8.36 2rc5B1 TYR 137 H 0.05 0.38 -0.23 -0.55 8.29 7.94 2rc5B1 TYR 137 HA -0.09 0.05 0.50 -0.75 4.56 4.27 2rc5B1 TYR 137 HB2 -0.10 0.01 0.11 -0.04 3.06 3.05 2rc5B1 TYR 137 HB3 -0.12 -0.03 0.21 -0.04 2.98 3.01 2rc5B1 TYR 137 HD2 -0.08 -0.02 -0.03 -0.04 7.15 6.99 2rc5B1 TYR 137 HE2 -0.05 -0.01 -0.05 -0.04 6.85 6.70 2rc5B1 MET 138 H -0.14 0.74 -0.12 -0.55 8.47 8.40 2rc5B1 MET 138 HA -0.57 0.05 0.40 -0.75 4.52 3.65 2rc5B1 MET 138 HB2 -0.33 0.08 0.14 -0.04 2.15 2.01 2rc5B1 MET 138 HB3 -0.35 -0.07 -0.05 -0.04 2.03 1.52 2rc5B1 MET 138 HG2 -0.14 0.12 -0.02 -0.04 2.63 2.55 2rc5B1 MET 138 HG3 -0.65 -0.08 -0.10 -0.04 2.56 1.69 2rc5B1 MET 138 HE3 -0.23 -0.01 -0.12 -0.04 2.10 1.69 2rc5B1 CYS 139 H -0.27 0.38 -0.23 -0.55 8.50 7.84 2rc5B1 CYS 139 HA -0.54 0.07 0.34 -0.75 4.58 3.69 2rc5B1 CYS 139 HB2 -0.31 -0.01 0.02 -0.04 2.97 2.62 2rc5B1 CYS 139 HB3 -1.07 -0.05 -0.00 -0.04 2.97 1.80 2rc5B1 ASP 140 H -0.25 0.31 -0.49 -0.55 8.40 7.42 2rc5B1 ASP 140 HA -0.12 0.07 0.68 -0.75 4.63 4.51 2rc5B1 ASP 140 HB2 -0.11 0.09 0.10 -0.04 2.71 2.75 2rc5B1 ASP 140 HB3 -0.06 -0.08 0.08 -0.04 2.70 2.60 2rc5B1 LEU 141 H -0.27 0.22 -0.46 -0.55 8.37 7.31 2rc5B1 LEU 141 HA -0.18 -0.05 0.38 -0.75 4.35 3.75 2rc5B1 LEU 141 HB2 -0.19 0.10 0.04 -0.04 1.64 1.54 2rc5B1 LEU 141 HB3 -0.15 -0.04 -0.12 -0.04 1.64 1.30 2rc5B1 LEU 141 HG -0.63 0.19 0.11 -0.04 1.64 1.26 2rc5B1 LEU 141 HD13 -0.25 0.00 -0.03 -0.04 0.93 0.61 2rc5B1 LEU 141 HD23 -0.36 -0.03 -0.11 -0.04 0.89 0.35 2rc5B1 LYS 142 H -0.07 0.09 0.19 -0.55 8.42 8.08 2rc5B1 LYS 142 HA -0.03 0.19 0.78 -0.75 4.32 4.50 2rc5B1 LYS 142 HB2 -0.03 -0.06 0.09 -0.04 1.87 1.83 2rc5B1 LYS 142 HB3 -0.02 0.04 0.09 -0.04 1.79 1.86 2rc5B1 LYS 142 HG2 -0.02 0.01 -0.01 -0.04 1.46 1.40 2rc5B1 LYS 142 HG3 -0.03 0.19 -0.12 -0.04 1.46 1.45 2rc5B1 LYS 142 HD2 -0.01 -0.04 0.01 -0.04 1.69 1.61 2rc5B1 LYS 142 HD3 -0.01 -0.02 0.02 -0.04 1.68 1.62 2rc5B1 LYS 142 HE2 -0.01 -0.02 0.00 -0.04 2.99 2.93 2rc5B1 LYS 142 HE3 -0.01 0.06 0.00 -0.04 2.99 3.00 2rc5B1 PRO 143 HA -0.03 0.11 0.33 -0.51 4.44 4.34 2rc5B1 PRO 143 HB2 -0.01 -0.04 0.06 -0.04 2.28 2.24 2rc5B1 PRO 143 HB3 -0.01 0.14 0.11 -0.04 2.02 2.21 2rc5B1 PRO 143 HG2 -0.01 -0.01 0.10 -0.04 2.03 2.07 2rc5B1 PRO 143 HG3 -0.01 0.09 0.09 -0.04 2.03 2.15 2rc5B1 PRO 143 HD2 -0.01 0.07 0.22 -0.04 3.68 3.91 2rc5B1 PRO 143 HD3 -0.02 0.17 0.12 -0.04 3.65 3.88 2rc5B1 GLY 144 H -0.02 0.76 0.33 -0.55 8.43 8.95 2rc5B1 GLY 144 HA2 -0.02 -0.01 0.38 -0.51 4.01 3.84 2rc5B1 GLY 144 HA3 -0.02 0.07 0.57 -0.51 4.01 4.12 2rc5B1 ASP 145 H -0.03 0.40 -0.20 -0.55 8.40 8.02 2rc5B1 ASP 145 HA -0.01 0.05 0.57 -0.75 4.63 4.48 2rc5B1 ASP 145 HB2 -0.06 0.10 0.14 -0.04 2.71 2.86 2rc5B1 ASP 145 HB3 -0.03 0.03 -0.04 -0.04 2.70 2.62 2rc5B1 GLU 146 H 0.00 0.13 0.17 -0.55 8.60 8.36 2rc5B1 GLU 146 HA -0.04 0.27 0.89 -0.75 4.29 4.65 2rc5B1 GLU 146 HB2 -0.03 0.01 0.03 -0.04 2.09 2.06 2rc5B1 GLU 146 HB3 -0.01 -0.05 0.09 -0.04 1.99 1.98 2rc5B1 GLU 146 HG2 -0.06 0.01 -0.25 -0.04 2.34 1.99 2rc5B1 GLU 146 HG3 -0.09 0.06 -0.19 -0.04 2.34 2.08 2rc5B1 VAL 147 H -0.04 0.85 0.32 -0.55 8.24 8.81 2rc5B1 VAL 147 HA 0.12 0.10 0.84 -0.75 4.13 4.45 2rc5B1 VAL 147 HB -0.01 -0.03 0.04 -0.04 2.12 2.08 2rc5B1 VAL 147 HG13 0.07 0.00 -0.19 -0.04 0.97 0.81 2rc5B1 VAL 147 HG23 -0.04 0.01 -0.19 -0.04 0.95 0.69 2rc5B1 THR 148 H 0.05 0.20 0.13 -0.55 8.28 8.12 2rc5B1 THR 148 HA -0.03 0.17 0.78 -0.75 4.39 4.55 2rc5B1 THR 148 HB -0.01 0.13 0.21 -0.04 4.32 4.61 2rc5B1 THR 148 HG23 0.01 -0.02 -0.14 -0.04 1.22 1.03 2rc5B1 MET 149 H -0.00 0.79 0.38 -0.55 8.47 9.09 2rc5B1 MET 149 HA 0.08 0.32 1.08 -0.75 4.52 5.25 2rc5B1 MET 149 HB2 0.11 -0.00 0.01 -0.04 2.15 2.23 2rc5B1 MET 149 HB3 0.12 -0.02 0.05 -0.04 2.03 2.15 2rc5B1 MET 149 HG2 0.05 0.03 -0.26 -0.04 2.63 2.42 2rc5B1 MET 149 HG3 -0.00 0.08 -0.34 -0.04 2.56 2.26 2rc5B1 MET 149 HE3 0.05 0.01 -0.09 -0.04 2.10 2.04 2rc5B1 THR 150 H 0.18 0.55 0.34 -0.55 8.28 8.80 2rc5B1 THR 150 HA 0.27 0.17 0.56 -0.75 4.39 4.63 2rc5B1 THR 150 HB 0.10 -0.10 -0.23 -0.04 4.32 4.05 2rc5B1 THR 150 HG23 0.09 0.00 -0.12 -0.04 1.22 1.15 2rc5B1 GLY 151 H 0.20 0.98 0.35 -0.55 8.43 9.42 2rc5B1 GLY 151 HA2 0.07 0.05 0.25 -0.51 4.01 3.87 2rc5B1 GLY 151 HA3 0.17 0.08 0.76 -0.51 4.01 4.51 2rc5B1 PRO 152 HA 0.14 0.20 0.55 -0.51 4.44 4.83 2rc5B1 PRO 152 HB2 -0.00 0.26 0.11 -0.04 2.28 2.61 2rc5B1 PRO 152 HB3 0.10 0.00 0.16 -0.04 2.02 2.24 2rc5B1 PRO 152 HG2 -0.15 0.16 -0.06 -0.04 2.03 1.95 2rc5B1 PRO 152 HG3 -0.49 -0.01 -0.02 -0.04 2.03 1.47 2rc5B1 PRO 152 HD2 -0.23 0.03 0.02 -0.04 3.68 3.45 2rc5B1 PRO 152 HD3 -0.71 0.19 0.27 -0.04 3.65 3.36 2rc5B1 SER 153 H 0.09 0.64 0.39 -0.55 8.46 9.04 2rc5B1 SER 153 HA 0.04 0.10 1.07 -0.75 4.49 4.94 2rc5B1 SER 153 HB2 0.04 -0.00 -0.12 -0.04 3.95 3.84 2rc5B1 SER 153 HB3 0.04 -0.03 0.04 -0.04 3.93 3.94 2rc5B1 GLY 154 H 0.04 0.11 0.07 -0.55 8.43 8.11 2rc5B1 GLY 154 HA2 0.06 -0.06 0.40 -0.51 4.01 3.90 2rc5B1 GLY 154 HA3 0.08 0.17 0.68 -0.51 4.01 4.42 2rc5B1 LYS 155 H 0.09 0.06 0.10 -0.55 8.42 8.12 2rc5B1 LYS 155 HA 0.09 0.27 0.57 -0.75 4.32 4.49 2rc5B1 LYS 155 HB2 0.06 0.09 0.12 -0.04 1.87 2.10 2rc5B1 LYS 155 HB3 0.05 0.09 -0.19 -0.04 1.79 1.70 2rc5B1 LYS 155 HG2 0.05 -0.19 -0.08 -0.04 1.46 1.20 2rc5B1 LYS 155 HG3 0.06 0.03 -0.09 -0.04 1.46 1.42 2rc5B1 LYS 155 HD2 0.03 0.10 -0.09 -0.04 1.69 1.68 2rc5B1 LYS 155 HD3 0.03 -0.05 -0.07 -0.04 1.68 1.54 2rc5B1 LYS 155 HE2 0.04 0.05 -0.02 -0.04 2.99 3.03 2rc5B1 LYS 155 HE3 0.03 0.02 -0.03 -0.04 2.99 2.97 2rc5B1 LYS 156 H 0.17 -0.10 0.04 -0.55 8.42 7.97 2rc5B1 LYS 156 HA 0.21 0.31 0.92 -0.75 4.32 5.01 2rc5B1 LYS 156 HB2 0.20 -0.10 0.14 -0.04 1.87 2.07 2rc5B1 LYS 156 HB3 0.22 0.07 0.05 -0.04 1.79 2.09 2rc5B1 LYS 156 HG2 0.10 0.12 0.00 -0.04 1.46 1.65 2rc5B1 LYS 156 HG3 0.11 -0.11 -0.18 -0.04 1.46 1.23 2rc5B1 LYS 156 HD2 0.09 -0.07 0.04 -0.04 1.69 1.71 2rc5B1 LYS 156 HD3 0.07 0.03 0.03 -0.04 1.68 1.77 2rc5B1 LYS 156 HE2 0.05 -0.00 -0.02 -0.04 2.99 2.98 2rc5B1 LYS 156 HE3 0.04 -0.04 0.01 -0.04 2.99 2.96 2rc5B1 PHE 157 H 0.34 -0.07 0.01 -0.55 8.34 8.06 2rc5B1 PHE 157 HA 0.32 0.08 0.32 -0.75 4.62 4.58 2rc5B1 PHE 157 HB2 0.17 -0.09 0.08 -0.04 3.15 3.27 2rc5B1 PHE 157 HB3 0.11 0.23 0.21 -0.04 3.06 3.58 2rc5B1 PHE 157 HD2 0.16 -0.03 -0.09 -0.04 7.28 7.28 2rc5B1 PHE 157 HE2 0.10 -0.01 -0.20 -0.04 7.38 7.22 2rc5B1 PHE 157 HZ 0.27 -0.05 -0.25 -0.04 7.32 7.25 2rc5B1 LEU 158 H -0.15 0.53 0.21 -0.55 8.37 8.41 2rc5B1 LEU 158 HA -0.02 0.24 0.91 -0.75 4.35 4.72 2rc5B1 LEU 158 HB2 -0.00 0.05 -0.17 -0.04 1.64 1.48 2rc5B1 LEU 158 HB3 -0.02 0.12 -0.09 -0.04 1.64 1.61 2rc5B1 LEU 158 HG 0.12 -0.32 -0.98 -0.04 1.64 0.43 2rc5B1 LEU 158 HD13 0.06 0.01 -0.20 -0.04 0.93 0.77 2rc5B1 LEU 158 HD23 0.08 0.06 -0.33 -0.04 0.89 0.66 2rc5B1 LEU 159 H -0.13 0.16 0.08 -0.55 8.37 7.94 2rc5B1 LEU 159 HA -0.22 0.08 0.56 -0.75 4.35 4.01 2rc5B1 LEU 159 HB2 -0.12 -0.04 0.04 -0.04 1.64 1.49 2rc5B1 LEU 159 HB3 -0.16 0.17 -0.01 -0.04 1.64 1.60 2rc5B1 LEU 159 HG -0.23 -0.06 -0.04 -0.04 1.64 1.26 2rc5B1 LEU 159 HD13 -0.12 -0.01 0.02 -0.04 0.93 0.77 2rc5B1 LEU 159 HD23 -0.28 0.00 -0.05 -0.04 0.89 0.52 2rc5B1 PRO 160 HA -0.14 0.04 0.54 -0.51 4.44 4.36 2rc5B1 PRO 160 HB2 -0.09 0.17 -0.00 -0.04 2.28 2.32 2rc5B1 PRO 160 HB3 -0.13 0.02 0.08 -0.04 2.02 1.95 2rc5B1 PRO 160 HG2 -1.24 0.01 0.04 -0.04 2.03 0.80 2rc5B1 PRO 160 HG3 -0.87 0.10 0.05 -0.04 2.03 1.28 2rc5B1 PRO 160 HD2 -0.31 0.05 0.14 -0.04 3.68 3.51 2rc5B1 PRO 160 HD3 -0.35 0.11 0.15 -0.04 3.65 3.52 2rc5B1 ASN 161 H -0.04 0.10 0.13 -0.55 8.53 8.17 2rc5B1 ASN 161 HA -0.02 0.19 0.62 -0.75 4.76 4.80 2rc5B1 ASN 161 HB2 -0.00 -0.04 0.09 -0.04 2.88 2.89 2rc5B1 ASN 161 HB3 -0.02 0.07 -0.01 -0.04 2.79 2.80 2rc5B1 ASN 161 HD21 -0.01 -0.02 -0.01 -0.04 7.03 6.94 2rc5B1 ASN 161 HD22 -0.01 0.03 -0.03 -0.04 7.74 7.69 2rc5B1 THR 162 H 0.02 0.10 -0.16 -0.55 8.28 7.69 2rc5B1 THR 162 HA 0.04 0.20 0.66 -0.75 4.39 4.53 2rc5B1 THR 162 HB 0.05 -0.03 0.12 -0.04 4.32 4.42 2rc5B1 THR 162 HG23 0.02 0.00 -0.07 -0.04 1.22 1.13 2rc5B1 ASP 163 H 0.06 0.08 0.12 -0.55 8.40 8.11 2rc5B1 ASP 163 HA 0.12 0.03 0.41 -0.75 4.63 4.44 2rc5B1 ASP 163 HB2 0.05 -0.04 0.11 -0.04 2.71 2.79 2rc5B1 ASP 163 HB3 0.05 0.10 0.06 -0.04 2.70 2.88 2rc5B1 PHE 164 H 0.25 0.72 0.37 -0.55 8.34 9.13 2rc5B1 PHE 164 HA 0.05 0.10 1.00 -0.75 4.62 5.02 2rc5B1 PHE 164 HB2 0.10 0.16 -0.11 -0.04 3.15 3.26 2rc5B1 PHE 164 HB3 0.33 -0.05 0.12 -0.04 3.06 3.41 2rc5B1 PHE 164 HD2 0.26 0.02 -0.03 -0.04 7.28 7.48 2rc5B1 PHE 164 HE2 0.09 0.06 -0.13 -0.04 7.38 7.36 2rc5B1 PHE 164 HZ 0.05 0.17 0.08 -0.04 7.32 7.58 2rc5B1 SER 165 H -0.49 0.17 0.20 -0.55 8.46 7.79 2rc5B1 SER 165 HA -0.25 0.03 0.76 -0.75 4.49 4.28 2rc5B1 SER 165 HB2 -0.17 0.03 0.05 -0.04 3.95 3.81 2rc5B1 SER 165 HB3 -0.15 -0.03 -0.04 -0.04 3.93 3.68 2rc5B1 GLY 166 H -1.29 -0.02 0.07 -0.55 8.43 6.63 2rc5B1 GLY 166 HA2 -0.26 0.14 0.48 -0.51 4.01 3.86 2rc5B1 GLY 166 HA3 -0.52 0.21 0.17 -0.51 4.01 3.35 2rc5B1 ASP 167 H -0.05 0.12 0.10 -0.55 8.40 8.02 2rc5B1 ASP 167 HA 0.11 0.10 0.64 -0.75 4.63 4.73 2rc5B1 ASP 167 HB2 -0.05 -0.06 0.02 -0.04 2.71 2.57 2rc5B1 ASP 167 HB3 -0.03 0.08 0.06 -0.04 2.70 2.77 2rc5B1 ILE 168 H 0.07 0.76 0.36 -0.55 8.25 8.89 2rc5B1 ILE 168 HA -0.05 0.28 1.05 -0.75 4.18 4.71 2rc5B1 ILE 168 HB -0.27 -0.02 0.03 -0.04 1.89 1.59 2rc5B1 ILE 168 HG12 0.06 0.02 -0.04 -0.04 1.49 1.49 2rc5B1 ILE 168 HG13 0.39 0.08 -0.53 -0.04 1.21 1.11 2rc5B1 ILE 168 HG23 -0.59 -0.03 -0.24 -0.04 0.93 0.03 2rc5B1 ILE 168 HD13 -0.39 -0.01 -0.10 -0.04 0.88 0.34 2rc5B1 MET 169 H -0.14 0.81 0.39 -0.55 8.47 8.98 2rc5B1 MET 169 HA -0.19 0.25 1.17 -0.75 4.52 4.99 2rc5B1 MET 169 HB2 0.00 -0.01 -0.01 -0.04 2.15 2.10 2rc5B1 MET 169 HB3 0.25 -0.06 0.19 -0.04 2.03 2.37 2rc5B1 MET 169 HG2 0.15 -0.04 -0.27 -0.04 2.63 2.43 2rc5B1 MET 169 HG3 0.04 0.07 0.03 -0.04 2.56 2.67 2rc5B1 MET 169 HE3 0.13 0.01 -0.11 -0.04 2.10 2.09 2rc5B1 PHE 170 H -0.24 0.71 0.35 -0.55 8.34 8.62 2rc5B1 PHE 170 HA -0.61 0.14 0.91 -0.75 4.62 4.31 2rc5B1 PHE 170 HB2 -0.41 -0.05 0.24 -0.04 3.15 2.89 2rc5B1 PHE 170 HB3 -1.80 -0.03 0.02 -0.04 3.06 1.20 2rc5B1 PHE 170 HD2 -0.21 0.01 -0.08 -0.04 7.28 6.96 2rc5B1 PHE 170 HE2 -0.39 0.04 -0.18 -0.04 7.38 6.81 2rc5B1 PHE 170 HZ -0.29 0.06 -0.21 -0.04 7.32 6.84 2rc5B1 LEU 171 H 0.06 0.88 0.39 -0.55 8.37 9.15 2rc5B1 LEU 171 HA 0.15 0.23 1.09 -0.75 4.35 5.07 2rc5B1 LEU 171 HB2 0.24 0.04 0.22 -0.04 1.64 2.10 2rc5B1 LEU 171 HB3 0.17 -0.13 0.01 -0.04 1.64 1.66 2rc5B1 LEU 171 HG 0.15 0.04 -0.54 -0.04 1.64 1.26 2rc5B1 LEU 171 HD13 0.21 -0.00 -0.15 -0.04 0.93 0.94 2rc5B1 LEU 171 HD23 0.11 -0.02 -0.07 -0.04 0.89 0.87 2rc5B1 ALA 172 H 0.26 0.78 0.40 -0.55 8.40 9.30 2rc5B1 ALA 172 HA 0.36 0.51 1.11 -0.75 4.34 5.56 2rc5B1 ALA 172 HB3 0.37 -0.02 -0.27 -0.04 1.41 1.45 2rc5B1 THR 173 H 0.16 0.44 0.42 -0.55 8.28 8.75 2rc5B1 THR 173 HA 0.23 0.27 0.85 -0.75 4.39 4.99 2rc5B1 THR 173 HB 0.08 0.02 0.14 -0.04 4.32 4.52 2rc5B1 THR 173 HG23 0.11 -0.01 -0.01 -0.04 1.22 1.27 2rc5B1 GLY 174 H 0.22 0.84 0.36 -0.55 8.43 9.30 2rc5B1 GLY 174 HA2 0.22 0.16 0.44 -0.51 4.01 4.32 2rc5B1 GLY 174 HA3 0.16 -0.06 0.49 -0.51 4.01 4.09 2rc5B1 THR 175 H 0.18 0.13 0.30 -0.55 8.28 8.34 2rc5B1 THR 175 HA 0.15 0.10 0.36 -0.75 4.39 4.25 2rc5B1 THR 175 HB 0.17 0.21 0.22 -0.04 4.32 4.88 2rc5B1 THR 175 HG23 0.15 -0.06 -0.01 -0.04 1.22 1.26 2rc5B1 GLY 176 H 0.14 0.47 -0.20 -0.55 8.43 8.29 2rc5B1 GLY 176 HA2 0.06 0.05 0.36 -0.51 4.01 3.97 2rc5B1 GLY 176 HA3 0.06 0.08 -0.06 -0.51 4.01 3.58 2rc5B1 ILE 177 H 0.03 0.37 -0.58 -0.55 8.25 7.52 2rc5B1 ILE 177 HA 0.02 0.05 0.44 -0.75 4.18 3.94 2rc5B1 ILE 177 HB -0.73 0.06 -0.01 -0.04 1.89 1.17 2rc5B1 ILE 177 HG12 -0.71 0.07 -0.10 -0.04 1.49 0.71 2rc5B1 ILE 177 HG13 -0.17 -0.03 -0.15 -0.04 1.21 0.82 2rc5B1 ILE 177 HG23 -0.02 -0.01 -0.17 -0.04 0.93 0.68 2rc5B1 ILE 177 HD13 -0.40 -0.01 -0.09 -0.04 0.88 0.34 2rc5B1 ALA 178 H -0.06 0.56 -0.21 -0.55 8.40 8.14 2rc5B1 ALA 178 HA -0.07 -0.04 0.19 -0.75 4.34 3.67 2rc5B1 ALA 178 HB3 -0.02 0.02 0.08 -0.04 1.41 1.45 2rc5B1 PRO 179 HA -0.15 0.29 0.43 -0.51 4.44 4.51 2rc5B1 PRO 179 HB2 -0.16 0.03 -0.09 -0.04 2.28 2.02 2rc5B1 PRO 179 HB3 -0.10 0.04 0.08 -0.04 2.02 2.00 2rc5B1 PRO 179 HG2 -1.53 0.05 -0.06 -0.04 2.03 0.45 2rc5B1 PRO 179 HG3 -0.52 0.01 0.01 -0.04 2.03 1.48 2rc5B1 PRO 179 HD2 -0.37 0.12 -0.41 -0.04 3.68 2.98 2rc5B1 PRO 179 HD3 -0.22 0.04 0.03 -0.04 3.65 3.45 2rc5B1 PHE 180 H -0.47 0.36 -0.41 -0.55 8.34 7.27 2rc5B1 PHE 180 HA -0.75 0.01 0.30 -0.75 4.62 3.42 2rc5B1 PHE 180 HB2 -0.17 0.13 0.03 -0.04 3.15 3.09 2rc5B1 PHE 180 HB3 -0.36 -0.04 0.03 -0.04 3.06 2.65 2rc5B1 PHE 180 HD2 -0.64 -0.03 -0.16 -0.04 7.28 6.41 2rc5B1 PHE 180 HE2 0.09 0.05 -0.28 -0.04 7.38 7.21 2rc5B1 PHE 180 HZ 0.49 -0.08 -0.42 -0.04 7.32 7.27 2rc5B1 ILE 181 H -0.07 0.44 -0.28 -0.55 8.25 7.79 2rc5B1 ILE 181 HA 0.12 0.02 0.61 -0.75 4.18 4.19 2rc5B1 ILE 181 HB -0.08 0.21 0.14 -0.04 1.89 2.12 2rc5B1 ILE 181 HG12 0.04 -0.06 -0.05 -0.04 1.49 1.38 2rc5B1 ILE 181 HG13 0.08 -0.02 -0.12 -0.04 1.21 1.11 2rc5B1 ILE 181 HG23 -0.25 0.01 -0.12 -0.04 0.93 0.52 2rc5B1 ILE 181 HD13 -0.03 -0.00 -0.26 -0.04 0.88 0.55 2rc5B1 GLY 182 H -0.10 0.35 -0.06 -0.55 8.43 8.08 2rc5B1 GLY 182 HA2 -0.10 -0.00 0.38 -0.51 4.01 3.78 2rc5B1 GLY 182 HA3 -0.07 0.10 -0.12 -0.51 4.01 3.42 2rc5B1 MET 183 H -0.14 0.62 -0.09 -0.55 8.47 8.31 2rc5B1 MET 183 HA -0.11 0.03 0.40 -0.75 4.52 4.09 2rc5B1 MET 183 HB2 -0.45 -0.04 0.02 -0.04 2.15 1.64 2rc5B1 MET 183 HB3 -0.19 0.01 -0.12 -0.04 2.03 1.69 2rc5B1 MET 183 HG2 -0.22 -0.01 -0.10 -0.04 2.63 2.26 2rc5B1 MET 183 HG3 -0.19 0.09 -0.10 -0.04 2.56 2.33 2rc5B1 MET 183 HE3 -0.28 0.00 -0.28 -0.04 2.10 1.50 2rc5B1 SER 184 H -0.02 0.45 -0.28 -0.55 8.46 8.06 2rc5B1 SER 184 HA 0.09 0.06 0.49 -0.75 4.49 4.37 2rc5B1 SER 184 HB2 0.04 0.07 0.11 -0.04 3.95 4.13 2rc5B1 SER 184 HB3 -0.19 -0.05 0.00 -0.04 3.93 3.65 2rc5B1 GLU 185 H -0.01 0.55 -0.15 -0.55 8.60 8.44 2rc5B1 GLU 185 HA -0.07 0.03 0.52 -0.75 4.29 4.01 2rc5B1 GLU 185 HB2 -0.03 0.02 0.12 -0.04 2.09 2.16 2rc5B1 GLU 185 HB3 -0.20 0.10 0.18 -0.04 1.99 2.03 2rc5B1 GLU 185 HG2 -0.49 0.00 -0.01 -0.04 2.34 1.80 2rc5B1 GLU 185 HG3 -1.11 -0.07 -0.21 -0.04 2.34 0.91 2rc5B1 GLU 186 H -0.14 0.63 -0.17 -0.55 8.60 8.38 2rc5B1 GLU 186 HA -0.11 -0.05 0.50 -0.75 4.29 3.88 2rc5B1 GLU 186 HB2 -0.08 0.14 0.23 -0.04 2.09 2.34 2rc5B1 GLU 186 HB3 -0.05 0.01 -0.02 -0.04 1.99 1.89 2rc5B1 GLU 186 HG2 0.03 -0.03 0.08 -0.04 2.34 2.38 2rc5B1 GLU 186 HG3 -0.06 0.03 0.14 -0.04 2.34 2.41 2rc5B1 LEU 187 H -0.09 0.59 -0.07 -0.55 8.37 8.25 2rc5B1 LEU 187 HA -0.04 0.02 0.42 -0.75 4.35 4.00 2rc5B1 LEU 187 HB2 -0.17 0.02 0.13 -0.04 1.64 1.57 2rc5B1 LEU 187 HB3 -0.43 0.01 0.02 -0.04 1.64 1.20 2rc5B1 LEU 187 HG -0.17 0.09 0.08 -0.04 1.64 1.59 2rc5B1 LEU 187 HD13 -0.45 -0.03 -0.11 -0.04 0.93 0.30 2rc5B1 LEU 187 HD23 -0.34 -0.01 -0.04 -0.04 0.89 0.46 2rc5B1 LEU 188 H -0.11 0.34 -0.25 -0.55 8.37 7.79 2rc5B1 LEU 188 HA -0.10 0.21 0.56 -0.75 4.35 4.26 2rc5B1 LEU 188 HB2 -0.40 0.08 0.08 -0.04 1.64 1.36 2rc5B1 LEU 188 HB3 -1.37 -0.04 0.01 -0.04 1.64 0.20 2rc5B1 LEU 188 HG -0.12 -0.05 -0.05 -0.04 1.64 1.37 2rc5B1 LEU 188 HD13 -0.33 -0.03 -0.07 -0.04 0.93 0.46 2rc5B1 LEU 188 HD23 -0.04 0.02 -0.12 -0.04 0.89 0.71 2rc5B1 GLU 189 H -0.06 0.34 0.05 -0.55 8.60 8.38 2rc5B1 GLU 189 HA 0.11 0.18 0.82 -0.75 4.29 4.65 2rc5B1 GLU 189 HB2 -0.02 0.10 0.24 -0.04 2.09 2.37 2rc5B1 GLU 189 HB3 0.18 -0.05 -0.00 -0.04 1.99 2.08 2rc5B1 GLU 189 HG2 0.03 -0.04 -0.13 -0.04 2.34 2.16 2rc5B1 GLU 189 HG3 0.10 -0.08 -0.01 -0.04 2.34 2.31 2rc5B1 HIS 190 H 0.04 0.44 0.27 -0.55 8.41 8.62 2rc5B1 HIS 190 HA -0.01 0.08 0.40 -0.75 4.63 4.34 2rc5B1 HIS 190 HB2 -0.02 -0.04 0.15 -0.04 3.26 3.31 2rc5B1 HIS 190 HB3 -0.04 0.01 0.01 -0.04 3.20 3.14 2rc5B1 HIS 190 HD2 -0.00 -0.01 -0.25 -0.04 6.97 6.66 2rc5B1 HIS 190 HE1 -0.04 -0.00 -0.05 -0.04 7.75 7.61 2rc5B1 LYS 191 H 0.07 0.32 -0.14 -0.55 8.42 8.12 2rc5B1 LYS 191 HA 0.07 0.10 0.35 -0.75 4.32 4.09 2rc5B1 LYS 191 HB2 0.05 0.05 -0.15 -0.04 1.87 1.79 2rc5B1 LYS 191 HB3 0.06 -0.03 0.07 -0.04 1.79 1.84 2rc5B1 LYS 191 HG2 0.08 0.12 -0.10 -0.04 1.46 1.51 2rc5B1 LYS 191 HG3 0.07 -0.07 -0.68 -0.04 1.46 0.74 2rc5B1 LYS 191 HD2 0.05 -0.04 -0.10 -0.04 1.69 1.56 2rc5B1 LYS 191 HD3 0.06 -0.08 -0.03 -0.04 1.68 1.59 2rc5B1 LYS 191 HE2 0.09 0.10 0.02 -0.04 2.99 3.17 2rc5B1 LYS 191 HE3 0.09 0.08 0.00 -0.04 2.99 3.12 2rc5B1 LEU 192 H 0.05 0.05 -0.07 -0.55 8.37 7.85 2rc5B1 LEU 192 HA 0.02 0.13 0.56 -0.75 4.35 4.31 2rc5B1 LEU 192 HB2 0.02 -0.05 -0.03 -0.04 1.64 1.53 2rc5B1 LEU 192 HB3 0.01 0.05 -0.02 -0.04 1.64 1.65 2rc5B1 LEU 192 HG 0.06 -0.09 -0.07 -0.04 1.64 1.50 2rc5B1 LEU 192 HD13 0.02 -0.02 -0.01 -0.04 0.93 0.88 2rc5B1 LEU 192 HD23 0.00 0.04 -0.08 -0.04 0.89 0.80 2rc5B1 ILE 193 H 0.05 0.05 -0.08 -0.55 8.25 7.71 2rc5B1 ILE 193 HA 0.05 0.15 0.56 -0.75 4.18 4.18 2rc5B1 ILE 193 HB 0.09 -0.08 -0.49 -0.04 1.89 1.37 2rc5B1 ILE 193 HG12 0.04 -0.07 -0.14 -0.04 1.49 1.28 2rc5B1 ILE 193 HG13 0.14 -0.06 -0.53 -0.04 1.21 0.71 2rc5B1 ILE 193 HG23 0.02 0.06 -0.46 -0.04 0.93 0.52 2rc5B1 ILE 193 HD13 0.10 0.05 -0.17 -0.04 0.88 0.82 2rc5B1 LYS 194 H 0.07 0.07 0.02 -0.55 8.42 8.03 2rc5B1 LYS 194 HA 0.08 0.21 0.76 -0.75 4.32 4.62 2rc5B1 LYS 194 HB2 0.05 -0.10 0.18 -0.04 1.87 1.95 2rc5B1 LYS 194 HB3 0.03 0.03 -0.01 -0.04 1.79 1.80 2rc5B1 LYS 194 HG2 0.03 0.08 -0.00 -0.04 1.46 1.53 2rc5B1 LYS 194 HG3 0.04 0.03 -0.07 -0.04 1.46 1.42 2rc5B1 LYS 194 HD2 0.02 -0.05 0.01 -0.04 1.69 1.63 2rc5B1 LYS 194 HD3 0.01 -0.00 -0.01 -0.04 1.68 1.64 2rc5B1 LYS 194 HE2 0.01 -0.04 -0.01 -0.04 2.99 2.91 2rc5B1 LYS 194 HE3 0.01 0.02 -0.02 -0.04 2.99 2.97 2rc5B1 PHE 195 H 0.21 0.37 0.09 -0.55 8.34 8.45 2rc5B1 PHE 195 HA 0.10 0.28 1.12 -0.75 4.62 5.37 2rc5B1 PHE 195 HB2 0.07 -0.06 0.02 -0.04 3.15 3.14 2rc5B1 PHE 195 HB3 0.04 0.18 0.23 -0.04 3.06 3.46 2rc5B1 PHE 195 HD2 0.16 0.04 -0.04 -0.04 7.28 7.41 2rc5B1 PHE 195 HE2 0.17 0.12 -0.18 -0.04 7.38 7.45 2rc5B1 PHE 195 HZ -0.00 -0.06 -0.53 -0.04 7.32 6.69 2rc5B1 THR 196 H -0.26 0.60 0.27 -0.55 8.28 8.34 2rc5B1 THR 196 HA -0.26 0.23 0.94 -0.75 4.39 4.54 2rc5B1 THR 196 HB -0.14 -0.02 0.19 -0.04 4.32 4.30 2rc5B1 THR 196 HG23 -0.06 -0.02 -0.17 -0.04 1.22 0.93 2rc5B1 GLY 197 H -1.62 0.05 -0.17 -0.55 8.43 6.15 2rc5B1 GLY 197 HA2 -0.31 0.16 0.61 -0.51 4.01 3.96 2rc5B1 GLY 197 HA3 -0.43 0.21 -0.10 -0.51 4.01 3.19 2rc5B1 ASN 198 H -0.07 0.05 0.08 -0.55 8.53 8.05 2rc5B1 ASN 198 HA 0.04 0.33 0.96 -0.75 4.76 5.34 2rc5B1 ASN 198 HB2 -0.02 -0.12 0.07 -0.04 2.88 2.77 2rc5B1 ASN 198 HB3 -0.00 0.03 -0.09 -0.04 2.79 2.69 2rc5B1 ASN 198 HD21 -0.03 0.01 -0.02 -0.04 7.03 6.95 2rc5B1 ASN 198 HD22 -0.03 -0.08 -0.01 -0.04 7.74 7.59 2rc5B1 ILE 199 H 0.14 0.86 0.37 -0.55 8.25 9.07 2rc5B1 ILE 199 HA -0.13 0.33 1.07 -0.75 4.18 4.70 2rc5B1 ILE 199 HB 0.24 -0.01 0.18 -0.04 1.89 2.26 2rc5B1 ILE 199 HG12 -0.38 -0.02 -0.07 -0.04 1.49 0.98 2rc5B1 ILE 199 HG13 0.23 0.05 -0.21 -0.04 1.21 1.24 2rc5B1 ILE 199 HG23 -0.21 -0.04 -0.24 -0.04 0.93 0.39 2rc5B1 ILE 199 HD13 0.05 -0.01 -0.08 -0.04 0.88 0.80 2rc5B1 THR 200 H -0.22 0.73 0.40 -0.55 8.28 8.65 2rc5B1 THR 200 HA -0.23 0.20 0.97 -0.75 4.39 4.57 2rc5B1 THR 200 HB -0.06 -0.05 0.18 -0.04 4.32 4.34 2rc5B1 THR 200 HG23 -0.03 -0.02 -0.20 -0.04 1.22 0.92 2rc5B1 LEU 201 H -0.40 1.02 0.32 -0.55 8.37 8.76 2rc5B1 LEU 201 HA -0.01 0.16 1.06 -0.75 4.35 4.80 2rc5B1 LEU 201 HB2 0.07 0.02 0.03 -0.04 1.64 1.72 2rc5B1 LEU 201 HB3 -0.16 -0.01 0.22 -0.04 1.64 1.64 2rc5B1 LEU 201 HG 0.19 -0.07 -0.23 -0.04 1.64 1.50 2rc5B1 LEU 201 HD13 0.13 0.02 -0.10 -0.04 0.93 0.93 2rc5B1 LEU 201 HD23 0.39 0.00 -0.09 -0.04 0.89 1.15 2rc5B1 VAL 202 H 0.05 0.90 0.32 -0.55 8.24 8.96 2rc5B1 VAL 202 HA 0.10 0.22 0.95 -0.75 4.13 4.64 2rc5B1 VAL 202 HB 0.11 -0.02 0.20 -0.04 2.12 2.37 2rc5B1 VAL 202 HG13 0.11 -0.02 -0.13 -0.04 0.97 0.88 2rc5B1 VAL 202 HG23 0.06 0.02 -0.20 -0.04 0.95 0.79 2rc5B1 TYR 203 H 0.21 0.79 0.32 -0.55 8.29 9.05 2rc5B1 TYR 203 HA 0.15 0.15 1.00 -0.75 4.56 5.11 2rc5B1 TYR 203 HB2 0.16 0.02 -0.24 -0.04 3.06 2.96 2rc5B1 TYR 203 HB3 0.12 0.05 0.05 -0.04 2.98 3.16 2rc5B1 TYR 203 HD2 0.15 0.00 -0.11 -0.04 7.15 7.14 2rc5B1 TYR 203 HE2 0.12 0.16 -0.03 -0.04 6.85 7.07 2rc5B1 GLY 204 H 0.35 0.77 0.38 -0.55 8.43 9.38 2rc5B1 GLY 204 HA2 0.03 0.27 0.98 -0.51 4.01 4.78 2rc5B1 GLY 204 HA3 0.13 -0.09 0.46 -0.51 4.01 4.01 2rc5B1 ALA 205 H -0.05 0.73 0.44 -0.55 8.40 8.97 2rc5B1 ALA 205 HA 0.02 0.06 0.59 -0.75 4.34 4.26 2rc5B1 ALA 205 HB3 -0.11 0.03 -0.11 -0.04 1.41 1.18 2rc5B1 PRO 206 HA -0.16 -0.06 0.61 -0.51 4.44 4.32 2rc5B1 PRO 206 HB2 0.00 0.04 0.09 -0.04 2.28 2.38 2rc5B1 PRO 206 HB3 -0.15 0.10 0.09 -0.04 2.02 2.02 2rc5B1 PRO 206 HG2 0.06 0.13 0.09 -0.04 2.03 2.27 2rc5B1 PRO 206 HG3 0.03 0.04 0.08 -0.04 2.03 2.14 2rc5B1 PRO 206 HD2 0.05 0.15 0.23 -0.04 3.68 4.06 2rc5B1 PRO 206 HD3 0.05 0.10 0.21 -0.04 3.65 3.96 2rc5B1 TYR 207 H 0.08 0.20 -0.00 -0.55 8.29 8.01 2rc5B1 TYR 207 HA -0.02 0.23 0.78 -0.75 4.56 4.80 2rc5B1 TYR 207 HB2 -0.01 0.00 0.02 -0.04 3.06 3.03 2rc5B1 TYR 207 HB3 -0.01 -0.06 0.08 -0.04 2.98 2.95 2rc5B1 TYR 207 HD2 -0.01 -0.03 -0.07 -0.04 7.15 6.99 2rc5B1 TYR 207 HE2 -0.01 0.11 -0.06 -0.04 6.85 6.85 2rc5B1 SER 208 H 0.12 0.24 0.12 -0.55 8.46 8.40 2rc5B1 SER 208 HA -0.00 0.10 0.34 -0.75 4.49 4.17 2rc5B1 SER 208 HB2 0.02 0.07 0.04 -0.04 3.95 4.04 2rc5B1 SER 208 HB3 0.03 0.04 0.10 -0.04 3.93 4.06 2rc5B1 ASP 209 H 0.07 0.04 -0.07 -0.55 8.40 7.89 2rc5B1 ASP 209 HA 0.03 0.21 0.60 -0.75 4.63 4.72 2rc5B1 ASP 209 HB2 0.01 0.10 0.20 -0.04 2.71 2.98 2rc5B1 ASP 209 HB3 0.01 0.03 0.13 -0.04 2.70 2.83 2rc5B1 GLU 210 H 0.07 0.17 -0.70 -0.55 8.60 7.59 2rc5B1 GLU 210 HA 0.06 0.21 0.76 -0.75 4.29 4.56 2rc5B1 GLU 210 HB2 0.10 -0.03 0.10 -0.04 2.09 2.22 2rc5B1 GLU 210 HB3 0.08 -0.04 0.12 -0.04 1.99 2.11 2rc5B1 GLU 210 HG2 0.07 0.16 0.02 -0.04 2.34 2.55 2rc5B1 GLU 210 HG3 0.09 -0.13 -0.16 -0.04 2.34 2.11 2rc5B1 LEU 211 H -0.01 0.18 -0.19 -0.55 8.37 7.80 2rc5B1 LEU 211 HA -0.17 0.00 0.58 -0.75 4.35 4.01 2rc5B1 LEU 211 HB2 -0.04 0.40 0.22 -0.04 1.64 2.18 2rc5B1 LEU 211 HB3 -0.00 -0.03 -0.12 -0.04 1.64 1.44 2rc5B1 LEU 211 HG -0.34 0.02 -0.08 -0.04 1.64 1.19 2rc5B1 LEU 211 HD13 -0.58 0.00 -0.18 -0.04 0.93 0.13 2rc5B1 LEU 211 HD23 -0.06 -0.04 -0.01 -0.04 0.89 0.73 2rc5B1 VAL 212 H 0.42 0.16 0.03 -0.55 8.24 8.30 2rc5B1 VAL 212 HA 0.13 0.26 0.88 -0.75 4.13 4.64 2rc5B1 VAL 212 HB 0.10 -0.05 -0.01 -0.04 2.12 2.12 2rc5B1 VAL 212 HG13 0.10 0.06 -0.33 -0.04 0.97 0.76 2rc5B1 VAL 212 HG23 0.18 0.00 -0.18 -0.04 0.95 0.91 2rc5B1 MET 213 H 0.11 0.22 0.10 -0.55 8.47 8.35 2rc5B1 MET 213 HA 0.11 0.04 0.29 -0.75 4.52 4.22 2rc5B1 MET 213 HB2 0.16 0.24 -0.01 -0.04 2.15 2.50 2rc5B1 MET 213 HB3 0.18 -0.01 0.14 -0.04 2.03 2.29 2rc5B1 MET 213 HG2 0.07 -0.08 -0.33 -0.04 2.63 2.25 2rc5B1 MET 213 HG3 0.01 0.07 -0.15 -0.04 2.56 2.45 2rc5B1 MET 213 HE3 -0.17 0.01 -0.04 -0.04 2.10 1.85 2rc5B1 MET 214 H 0.14 0.15 -0.25 -0.55 8.47 7.96 2rc5B1 MET 214 HA 0.19 0.14 0.17 -0.75 4.52 4.27 2rc5B1 MET 214 HB2 0.10 0.03 -0.04 -0.04 2.15 2.20 2rc5B1 MET 214 HB3 0.10 0.04 -0.11 -0.04 2.03 2.01 2rc5B1 MET 214 HG2 0.18 -0.01 -0.50 -0.04 2.63 2.26 2rc5B1 MET 214 HG3 0.08 0.10 -0.14 -0.04 2.56 2.55 2rc5B1 MET 214 HE3 0.09 0.00 -0.09 -0.04 2.10 2.06 2rc5B1 ASP 215 H 0.10 0.10 -0.07 -0.55 8.40 7.98 2rc5B1 ASP 215 HA 0.06 0.12 0.45 -0.75 4.63 4.51 2rc5B1 ASP 215 HB2 0.08 -0.05 0.03 -0.04 2.71 2.73 2rc5B1 ASP 215 HB3 0.06 0.09 -0.05 -0.04 2.70 2.77 2rc5B1 TYR 216 H 0.20 0.03 -0.41 -0.55 8.29 7.56 2rc5B1 TYR 216 HA 0.01 0.12 0.48 -0.75 4.56 4.43 2rc5B1 TYR 216 HB2 0.01 -0.01 0.02 -0.04 3.06 3.04 2rc5B1 TYR 216 HB3 0.02 0.05 0.06 -0.04 2.98 3.08 2rc5B1 TYR 216 HD2 -0.01 0.01 -0.07 -0.04 7.15 7.04 2rc5B1 TYR 216 HE2 -0.06 0.04 -0.03 -0.04 6.85 6.76 2rc5B1 LEU 217 H 0.15 0.47 -0.04 -0.55 8.37 8.41 2rc5B1 LEU 217 HA -0.18 0.08 0.40 -0.75 4.35 3.90 2rc5B1 LEU 217 HB2 0.20 -0.03 0.08 -0.04 1.64 1.85 2rc5B1 LEU 217 HB3 0.27 -0.03 -0.07 -0.04 1.64 1.78 2rc5B1 LEU 217 HG 0.26 0.22 0.00 -0.04 1.64 2.08 2rc5B1 LEU 217 HD13 0.25 -0.02 -0.14 -0.04 0.93 0.98 2rc5B1 LEU 217 HD23 0.23 -0.01 -0.09 -0.04 0.89 0.98 2rc5B1 LYS 218 H 0.07 0.80 -0.03 -0.55 8.42 8.71 2rc5B1 LYS 218 HA 0.11 0.05 0.58 -0.75 4.32 4.30 2rc5B1 LYS 218 HB2 0.06 0.08 0.11 -0.04 1.87 2.07 2rc5B1 LYS 218 HB3 0.05 -0.02 0.03 -0.04 1.79 1.81 2rc5B1 LYS 218 HG2 0.09 -0.01 0.01 -0.04 1.46 1.51 2rc5B1 LYS 218 HG3 0.10 0.02 0.01 -0.04 1.46 1.55 2rc5B1 LYS 218 HD2 0.05 0.01 -0.03 -0.04 1.69 1.68 2rc5B1 LYS 218 HD3 0.06 -0.02 -0.04 -0.04 1.68 1.64 2rc5B1 LYS 218 HE2 0.08 -0.06 -0.13 -0.04 2.99 2.83 2rc5B1 LYS 218 HE3 0.06 0.01 -0.24 -0.04 2.99 2.79 2rc5B1 GLY 219 H -0.03 0.33 -0.39 -0.55 8.43 7.79 2rc5B1 GLY 219 HA2 -0.02 0.02 0.50 -0.51 4.01 3.99 2rc5B1 GLY 219 HA3 -0.06 0.11 0.30 -0.51 4.01 3.85 2rc5B1 LEU 220 H -0.28 0.44 -0.22 -0.55 8.37 7.76 2rc5B1 LEU 220 HA -0.07 0.08 0.48 -0.75 4.35 4.08 2rc5B1 LEU 220 HB2 -0.66 0.16 0.09 -0.04 1.64 1.19 2rc5B1 LEU 220 HB3 -0.82 -0.03 -0.07 -0.04 1.64 0.67 2rc5B1 LEU 220 HG -1.12 0.17 0.02 -0.04 1.64 0.67 2rc5B1 LEU 220 HD13 -0.72 -0.02 -0.09 -0.04 0.93 0.06 2rc5B1 LEU 220 HD23 -0.23 -0.00 -0.07 -0.04 0.89 0.54 2rc5B1 GLU 221 H 0.08 0.25 -0.36 -0.55 8.60 8.02 2rc5B1 GLU 221 HA 0.37 0.13 0.55 -0.75 4.29 4.59 2rc5B1 GLU 221 HB2 0.34 0.01 0.11 -0.04 2.09 2.51 2rc5B1 GLU 221 HB3 0.14 0.08 0.18 -0.04 1.99 2.35 2rc5B1 GLU 221 HG2 0.10 0.00 -0.03 -0.04 2.34 2.38 2rc5B1 GLU 221 HG3 0.15 0.28 0.23 -0.04 2.34 2.96 2rc5B1 SER 222 H 0.03 0.47 -0.08 -0.55 8.46 8.34 2rc5B1 SER 222 HA 0.02 0.03 0.46 -0.75 4.49 4.26 2rc5B1 SER 222 HB2 0.00 -0.05 0.10 -0.04 3.95 3.95 2rc5B1 SER 222 HB3 0.01 0.01 0.14 -0.04 3.93 4.06 2rc5B1 LYS 223 H -0.06 0.24 -0.44 -0.55 8.42 7.60 2rc5B1 LYS 223 HA -0.14 0.07 0.53 -0.75 4.32 4.02 2rc5B1 LYS 223 HB2 -0.17 0.01 0.09 -0.04 1.87 1.77 2rc5B1 LYS 223 HB3 -0.42 0.03 0.11 -0.04 1.79 1.47 2rc5B1 LYS 223 HG2 -0.66 0.04 -0.05 -0.04 1.46 0.76 2rc5B1 LYS 223 HG3 -0.21 -0.05 0.06 -0.04 1.46 1.22 2rc5B1 LYS 223 HD2 -0.11 -0.05 -0.03 -0.04 1.69 1.47 2rc5B1 LYS 223 HD3 -0.18 0.01 -0.05 -0.04 1.68 1.42 2rc5B1 LYS 223 HE2 -0.05 0.07 -0.01 -0.04 2.99 2.96 2rc5B1 LYS 223 HE3 -0.07 -0.04 0.00 -0.04 2.99 2.84 2rc5B1 HIS 224 H 0.03 0.25 -0.16 -0.55 8.41 8.00 2rc5B1 HIS 224 HA 0.03 0.31 1.00 -0.75 4.63 5.22 2rc5B1 HIS 224 HB2 0.09 0.11 0.15 -0.04 3.26 3.57 2rc5B1 HIS 224 HB3 0.10 -0.08 0.06 -0.04 3.20 3.23 2rc5B1 HIS 224 HD2 -0.15 0.08 0.12 -0.04 6.97 6.98 2rc5B1 HIS 224 HE1 0.01 0.14 -0.05 -0.04 7.75 7.81 2rc5B1 LYS 225 H 0.14 0.40 0.17 -0.55 8.42 8.58 2rc5B1 LYS 225 HA 0.07 0.04 0.40 -0.75 4.32 4.08 2rc5B1 LYS 225 HB2 0.04 0.03 -0.36 -0.04 1.87 1.55 2rc5B1 LYS 225 HB3 0.05 0.09 0.08 -0.04 1.79 1.97 2rc5B1 LYS 225 HG2 0.02 -0.03 0.02 -0.04 1.46 1.43 2rc5B1 LYS 225 HG3 0.03 -0.05 0.12 -0.04 1.46 1.52 2rc5B1 LYS 225 HD2 0.02 0.05 -0.04 -0.04 1.69 1.68 2rc5B1 LYS 225 HD3 0.02 -0.07 0.01 -0.04 1.68 1.60 2rc5B1 LYS 225 HE2 0.04 0.13 0.05 -0.04 2.99 3.17 2rc5B1 LYS 225 HE3 0.02 -0.04 0.03 -0.04 2.99 2.96 2rc5B1 ASN 226 H 0.17 0.40 -2.01 -0.55 8.53 6.55 2rc5B1 ASN 226 HA 0.07 0.07 0.54 -0.75 4.76 4.69 2rc5B1 ASN 226 HB2 0.13 0.19 0.10 -0.04 2.88 3.26 2rc5B1 ASN 226 HB3 0.21 -0.08 -0.09 -0.04 2.79 2.78 2rc5B1 ASN 226 HD21 -0.12 0.93 0.12 -0.04 7.03 7.93 2rc5B1 ASN 226 HD22 0.02 -0.19 0.16 -0.04 7.74 7.70 2rc5B1 PHE 227 H 0.25 0.06 -0.28 -0.55 8.34 7.81 2rc5B1 PHE 227 HA 0.04 0.24 0.97 -0.75 4.62 5.12 2rc5B1 PHE 227 HB2 0.04 0.05 -0.16 -0.04 3.15 3.05 2rc5B1 PHE 227 HB3 0.10 0.03 -0.03 -0.04 3.06 3.12 2rc5B1 PHE 227 HD2 0.03 -0.02 -0.23 -0.04 7.28 7.02 2rc5B1 PHE 227 HE2 0.10 0.02 -0.10 -0.04 7.38 7.36 2rc5B1 PHE 227 HZ 0.09 -0.07 -0.08 -0.04 7.32 7.22 2rc5B1 LYS 228 H -0.41 0.83 0.32 -0.55 8.42 8.61 2rc5B1 LYS 228 HA -0.09 0.13 0.90 -0.75 4.32 4.50 2rc5B1 LYS 228 HB2 -0.09 0.10 0.00 -0.04 1.87 1.84 2rc5B1 LYS 228 HB3 -0.14 -0.12 0.10 -0.04 1.79 1.60 2rc5B1 LYS 228 HG2 -0.02 0.04 0.04 -0.04 1.46 1.48 2rc5B1 LYS 228 HG3 -0.03 0.00 -0.04 -0.04 1.46 1.35 2rc5B1 LYS 228 HD2 -0.04 -0.07 -0.17 -0.04 1.69 1.37 2rc5B1 LYS 228 HD3 -0.04 0.06 -0.25 -0.04 1.68 1.41 2rc5B1 LYS 228 HE2 -0.00 0.00 -0.04 -0.04 2.99 2.91 2rc5B1 LYS 228 HE3 0.00 -0.05 -0.07 -0.04 2.99 2.83 2rc5B1 LEU 229 H -0.06 0.22 0.14 -0.55 8.37 8.12 2rc5B1 LEU 229 HA -0.14 0.24 1.05 -0.75 4.35 4.74 2rc5B1 LEU 229 HB2 0.21 0.05 -0.07 -0.04 1.64 1.79 2rc5B1 LEU 229 HB3 0.11 -0.01 0.10 -0.04 1.64 1.80 2rc5B1 LEU 229 HG 0.12 -0.04 -0.40 -0.04 1.64 1.28 2rc5B1 LEU 229 HD13 0.26 0.03 -0.11 -0.04 0.93 1.06 2rc5B1 LEU 229 HD23 0.18 -0.02 -0.21 -0.04 0.89 0.79 2rc5B1 ILE 230 H 0.02 1.06 0.40 -0.55 8.25 9.18 2rc5B1 ILE 230 HA 0.04 0.13 0.91 -0.75 4.18 4.50 2rc5B1 ILE 230 HB 0.04 -0.02 0.10 -0.04 1.89 1.97 2rc5B1 ILE 230 HG12 0.02 0.03 -0.07 -0.04 1.49 1.43 2rc5B1 ILE 230 HG13 -0.01 -0.05 -0.49 -0.04 1.21 0.62 2rc5B1 ILE 230 HG23 0.06 -0.01 -0.12 -0.04 0.93 0.81 2rc5B1 ILE 230 HD13 0.02 0.00 -0.14 -0.04 0.88 0.71 2rc5B1 THR 231 H 0.05 0.20 0.15 -0.55 8.28 8.12 2rc5B1 THR 231 HA 0.07 0.33 1.12 -0.75 4.39 5.16 2rc5B1 THR 231 HB -0.04 -0.02 0.00 -0.04 4.32 4.23 2rc5B1 THR 231 HG23 0.05 0.01 -0.14 -0.04 1.22 1.09 2rc5B1 ALA 232 H 0.02 0.65 0.18 -0.55 8.40 8.69 2rc5B1 ALA 232 HA 0.02 0.13 0.55 -0.75 4.34 4.29 2rc5B1 ALA 232 HB3 0.08 -0.01 -0.37 -0.04 1.41 1.07 2rc5B1 ILE 233 H -0.04 0.21 -0.04 -0.55 8.25 7.83 2rc5B1 ILE 233 HA -0.07 0.52 1.02 -0.75 4.18 4.89 2rc5B1 ILE 233 HB -0.05 -0.01 0.10 -0.04 1.89 1.89 2rc5B1 ILE 233 HG12 -0.05 0.02 -0.23 -0.04 1.49 1.18 2rc5B1 ILE 233 HG13 -0.04 -0.11 -0.35 -0.04 1.21 0.66 2rc5B1 ILE 233 HG23 -0.07 -0.02 -0.28 -0.04 0.93 0.53 2rc5B1 ILE 233 HD13 -0.01 0.01 -0.07 -0.04 0.88 0.77 2rc5B1 SER 234 H -0.10 0.33 0.22 -0.55 8.46 8.36 2rc5B1 SER 234 HA -0.27 0.06 0.29 -0.75 4.49 3.82 2rc5B1 SER 234 HB2 -0.31 -0.05 0.00 -0.04 3.95 3.55 2rc5B1 SER 234 HB3 -0.12 0.05 0.03 -0.04 3.93 3.84 2rc5B1 ARG 235 H -0.31 0.51 0.13 -0.55 8.46 8.24 2rc5B1 ARG 235 HA -0.18 0.19 0.82 -0.75 4.34 4.42 2rc5B1 ARG 235 HB2 -1.11 0.07 0.05 -0.04 1.90 0.87 2rc5B1 ARG 235 HB3 -0.38 0.03 0.16 -0.04 1.80 1.57 2rc5B1 ARG 235 HG2 -0.13 0.05 0.00 -0.04 1.67 1.55 2rc5B1 ARG 235 HG3 -0.21 -0.13 -0.10 -0.04 1.67 1.18 2rc5B1 ARG 235 HD2 -0.41 0.00 -0.03 -0.04 3.22 2.74 2rc5B1 ARG 235 HD3 -0.02 0.05 0.01 -0.04 3.22 3.21 2rc5B1 GLU 236 H -0.15 0.13 -0.19 -0.55 8.60 7.84 2rc5B1 GLU 236 HA -0.03 0.22 0.86 -0.75 4.29 4.58 2rc5B1 GLU 236 HB2 -0.04 -0.05 0.03 -0.04 2.09 1.98 2rc5B1 GLU 236 HB3 0.00 0.01 0.10 -0.04 1.99 2.05 2rc5B1 GLU 236 HG2 0.12 0.13 0.00 -0.04 2.34 2.55 2rc5B1 GLU 236 HG3 0.01 -0.02 -0.26 -0.04 2.34 2.03 2rc5B1 GLU 237 H -0.11 0.31 0.20 -0.55 8.60 8.45 2rc5B1 GLU 237 HA -0.07 0.20 1.00 -0.75 4.29 4.67 2rc5B1 GLU 237 HB2 -0.09 0.04 0.11 -0.04 2.09 2.11 2rc5B1 GLU 237 HB3 -0.07 0.04 -0.01 -0.04 1.99 1.90 2rc5B1 GLU 237 HG2 -0.04 0.11 -0.04 -0.04 2.34 2.33 2rc5B1 GLU 237 HG3 -0.05 -0.09 -0.17 -0.04 2.34 1.99 2rc5B1 LYS 238 H -0.09 0.22 0.14 -0.55 8.42 8.14 2rc5B1 LYS 238 HA -0.15 0.24 0.68 -0.75 4.32 4.34 2rc5B1 LYS 238 HB2 -0.08 -0.07 0.03 -0.04 1.87 1.71 2rc5B1 LYS 238 HB3 -0.10 0.10 -0.11 -0.04 1.79 1.64 2rc5B1 LYS 238 HG2 -0.08 0.01 -0.22 -0.04 1.46 1.13 2rc5B1 LYS 238 HG3 -0.08 -0.11 -0.40 -0.04 1.46 0.84 2rc5B1 LYS 238 HD2 -0.05 -0.07 -0.03 -0.04 1.69 1.50 2rc5B1 LYS 238 HD3 -0.05 0.21 0.04 -0.04 1.68 1.83 2rc5B1 LYS 238 HE2 -0.04 -0.02 -0.06 -0.04 2.99 2.84 2rc5B1 LYS 238 HE3 -0.04 -0.02 -0.14 -0.04 2.99 2.75 2rc5B1 ASN 239 H -0.23 0.60 -0.06 -0.55 8.53 8.29 2rc5B1 ASN 239 HA -0.17 0.14 0.59 -0.75 4.76 4.57 2rc5B1 ASN 239 HB2 -0.13 -0.02 0.11 -0.04 2.88 2.79 2rc5B1 ASN 239 HB3 -0.48 0.02 0.02 -0.04 2.79 2.31 2rc5B1 ASN 239 HD21 -0.29 -0.13 -0.05 -0.04 7.03 6.52 2rc5B1 ASN 239 HD22 -0.74 0.36 -0.21 -0.04 7.74 7.12 2rc5B1 SER 240 H -0.48 0.16 0.15 -0.55 8.46 7.74 2rc5B1 SER 240 HA -0.22 0.20 0.41 -0.75 4.49 4.12 2rc5B1 SER 240 HB2 -0.28 0.06 0.10 -0.04 3.95 3.78 2rc5B1 SER 240 HB3 -0.27 0.04 0.08 -0.04 3.93 3.73 2rc5B1 PHE 241 H -0.40 -0.08 -0.23 -0.55 8.34 7.07 2rc5B1 PHE 241 HA -0.01 0.20 0.49 -0.75 4.62 4.55 2rc5B1 PHE 241 HB2 0.01 -0.12 0.07 -0.04 3.15 3.07 2rc5B1 PHE 241 HB3 0.03 0.09 0.00 -0.04 3.06 3.14 2rc5B1 PHE 241 HD2 0.03 -0.01 0.00 -0.04 7.28 7.26 2rc5B1 PHE 241 HE2 0.06 0.13 0.01 -0.04 7.38 7.53 2rc5B1 PHE 241 HZ 0.04 0.06 -0.17 -0.04 7.32 7.21 2rc5B1 ASP 242 H 0.06 -0.06 -0.02 -0.55 8.40 7.83 2rc5B1 ASP 242 HA 0.04 0.35 0.91 -0.75 4.63 5.18 2rc5B1 ASP 242 HB2 0.04 0.06 0.13 -0.04 2.71 2.90 2rc5B1 ASP 242 HB3 0.08 0.06 -0.05 -0.04 2.70 2.74 2rc5B1 GLY 243 H -0.08 0.14 -0.20 -0.55 8.43 7.75 2rc5B1 GLY 243 HA2 -0.09 0.21 0.28 -0.51 4.01 3.91 2rc5B1 GLY 243 HA3 -0.05 0.08 0.41 -0.51 4.01 3.94 2rc5B1 GLY 244 H -0.07 -0.14 -0.50 -0.55 8.43 7.17 2rc5B1 GLY 244 HA2 -0.04 0.17 0.54 -0.51 4.01 4.17 2rc5B1 GLY 244 HA3 -0.02 -0.01 0.26 -0.51 4.01 3.74 2rc5B1 ARG 245 H -0.06 0.08 0.14 -0.55 8.46 8.07 2rc5B1 ARG 245 HA -0.21 0.32 0.56 -0.75 4.34 4.25 2rc5B1 ARG 245 HB2 -0.40 -0.14 0.05 -0.04 1.90 1.37 2rc5B1 ARG 245 HB3 -0.52 0.06 0.10 -0.04 1.80 1.40 2rc5B1 ARG 245 HG2 -0.11 0.16 0.14 -0.04 1.67 1.83 2rc5B1 ARG 245 HG3 -0.03 -0.09 0.13 -0.04 1.67 1.64 2rc5B1 ARG 245 HD2 0.13 -0.08 0.01 -0.04 3.22 3.23 2rc5B1 ARG 245 HD3 -0.07 -0.01 -0.04 -0.04 3.22 3.06 2rc5B1 MET 246 H -0.27 0.61 0.17 -0.55 8.47 8.43 2rc5B1 MET 246 HA -0.10 -0.02 0.55 -0.75 4.52 4.20 2rc5B1 MET 246 HB2 -0.12 0.02 -0.49 -0.04 2.15 1.53 2rc5B1 MET 246 HB3 -0.12 0.06 -0.15 -0.04 2.03 1.78 2rc5B1 MET 246 HG2 -0.02 -0.02 -0.12 -0.04 2.63 2.43 2rc5B1 MET 246 HG3 0.04 -0.03 -0.40 -0.04 2.56 2.13 2rc5B1 MET 246 HE3 -0.06 0.06 -0.17 -0.04 2.10 1.89 2rc5B1 TYR 247 H 0.66 0.15 0.15 -0.55 8.29 8.70 2rc5B1 TYR 247 HA 0.08 0.25 0.75 -0.75 4.56 4.88 2rc5B1 TYR 247 HB2 -0.04 -0.06 0.02 -0.04 3.06 2.94 2rc5B1 TYR 247 HB3 0.01 -0.05 0.10 -0.04 2.98 3.00 2rc5B1 TYR 247 HD2 0.11 -0.02 -0.05 -0.04 7.15 7.16 2rc5B1 TYR 247 HE2 0.05 0.01 -0.06 -0.04 6.85 6.80 2rc5B1 ILE 248 H 0.20 0.25 0.08 -0.55 8.25 8.23 2rc5B1 ILE 248 HA 0.13 0.12 0.24 -0.75 4.18 3.91 2rc5B1 ILE 248 HB 0.12 0.07 -0.04 -0.04 1.89 2.01 2rc5B1 ILE 248 HG12 0.12 -0.03 -0.00 -0.04 1.49 1.54 2rc5B1 ILE 248 HG13 0.08 -0.05 -0.14 -0.04 1.21 1.06 2rc5B1 ILE 248 HG23 0.16 0.07 -0.14 -0.04 0.93 0.98 2rc5B1 ILE 248 HD13 0.14 0.05 -0.24 -0.04 0.88 0.79 2rc5B1 SER 249 H 0.05 0.05 -0.42 -0.55 8.46 7.58 2rc5B1 SER 249 HA -0.02 0.13 0.30 -0.75 4.49 4.15 2rc5B1 SER 249 HB2 -0.12 0.24 -0.20 -0.04 3.95 3.82 2rc5B1 SER 249 HB3 -0.08 -0.05 -0.18 -0.04 3.93 3.58 2rc5B1 HIS 250 H -0.03 0.21 -0.28 -0.55 8.41 7.76 2rc5B1 HIS 250 HA 0.09 0.12 0.52 -0.75 4.63 4.62 2rc5B1 HIS 250 HB2 0.14 0.15 0.09 -0.04 3.26 3.60 2rc5B1 HIS 250 HB3 0.34 -0.04 0.06 -0.04 3.20 3.52 2rc5B1 HIS 250 HD2 0.16 0.04 -0.02 -0.04 6.97 7.11 2rc5B1 HIS 250 HE1 0.27 0.14 0.00 -0.04 7.75 8.12 2rc5B1 ARG 251 H 0.16 0.22 -0.34 -0.55 8.46 7.95 2rc5B1 ARG 251 HA 0.15 0.08 0.46 -0.75 4.34 4.28 2rc5B1 ARG 251 HB2 0.11 0.15 0.05 -0.04 1.90 2.17 2rc5B1 ARG 251 HB3 0.09 0.03 -0.08 -0.04 1.80 1.80 2rc5B1 ARG 251 HG2 0.13 -0.01 -0.17 -0.04 1.67 1.58 2rc5B1 ARG 251 HG3 0.09 0.00 -0.33 -0.04 1.67 1.39 2rc5B1 ARG 251 HD2 0.08 0.02 -0.04 -0.04 3.22 3.23 2rc5B1 ARG 251 HD3 0.11 -0.08 -0.14 -0.04 3.22 3.07 2rc5B1 VAL 252 H 0.08 0.44 -0.15 -0.55 8.24 8.05 2rc5B1 VAL 252 HA 0.07 0.06 0.34 -0.75 4.13 3.85 2rc5B1 VAL 252 HB -0.01 0.13 0.11 -0.04 2.12 2.31 2rc5B1 VAL 252 HG13 -0.02 0.02 -0.16 -0.04 0.97 0.76 2rc5B1 VAL 252 HG23 0.05 0.09 -0.02 -0.04 0.95 1.03 2rc5B1 ARG 253 H 0.02 0.31 -0.35 -0.55 8.46 7.89 2rc5B1 ARG 253 HA -0.07 0.08 0.35 -0.75 4.34 3.95 2rc5B1 ARG 253 HB2 -0.19 0.05 0.13 -0.04 1.90 1.84 2rc5B1 ARG 253 HB3 -0.16 0.14 0.09 -0.04 1.80 1.83 2rc5B1 ARG 253 HG2 -0.93 -0.00 -0.10 -0.04 1.67 0.59 2rc5B1 ARG 253 HG3 -0.33 0.04 0.04 -0.04 1.67 1.37 2rc5B1 ARG 253 HD2 -0.37 0.01 -0.01 -0.04 3.22 2.81 2rc5B1 ARG 253 HD3 -0.93 -0.10 0.00 -0.04 3.22 2.15 2rc5B1 GLU 254 H 0.20 0.29 -0.31 -0.55 8.60 8.24 2rc5B1 GLU 254 HA 0.23 0.06 0.65 -0.75 4.29 4.49 2rc5B1 GLU 254 HB2 0.14 0.10 0.11 -0.04 2.09 2.39 2rc5B1 GLU 254 HB3 0.12 -0.03 0.09 -0.04 1.99 2.12 2rc5B1 GLU 254 HG2 0.30 -0.04 0.04 -0.04 2.34 2.60 2rc5B1 GLU 254 HG3 0.44 0.30 0.13 -0.04 2.34 3.17 2rc5B1 GLN 255 H 0.09 0.40 -0.46 -0.55 8.47 7.95 2rc5B1 GLN 255 HA 0.06 0.12 0.81 -0.75 4.36 4.59 2rc5B1 GLN 255 HB2 0.08 0.07 0.12 -0.04 2.15 2.37 2rc5B1 GLN 255 HB3 0.06 -0.14 0.17 -0.04 2.02 2.06 2rc5B1 GLN 255 HG2 0.07 0.10 -0.12 -0.04 2.40 2.41 2rc5B1 GLN 255 HG3 0.05 -0.05 -0.09 -0.04 2.39 2.26 2rc5B1 GLN 255 HE21 0.03 0.02 -0.06 -0.04 6.97 6.91 2rc5B1 GLN 255 HE22 0.04 -0.03 -0.12 -0.04 7.69 7.54 2rc5B1 ALA 256 H 0.06 0.30 -0.50 -0.55 8.40 7.71 2rc5B1 ALA 256 HA 0.05 0.09 0.38 -0.75 4.34 4.11 2rc5B1 ALA 256 HB3 0.03 0.05 0.05 -0.04 1.41 1.50 2rc5B1 GLU 257 H 0.04 0.15 -0.15 -0.55 8.60 8.10 2rc5B1 GLU 257 HA 0.03 0.10 0.36 -0.75 4.29 4.03 2rc5B1 GLU 257 HB2 0.03 0.03 0.08 -0.04 2.09 2.18 2rc5B1 GLU 257 HB3 0.03 -0.02 0.04 -0.04 1.99 2.00 2rc5B1 GLU 257 HG2 0.02 0.01 -0.25 -0.04 2.34 2.07 2rc5B1 GLU 257 HG3 0.02 0.02 -0.00 -0.04 2.34 2.33 2rc5B1 ALA 258 H 0.04 0.09 -0.30 -0.55 8.40 7.69 2rc5B1 ALA 258 HA 0.02 0.06 0.38 -0.75 4.34 4.05 2rc5B1 ALA 258 HB3 0.04 0.05 0.03 -0.04 1.41 1.49 2rc5B1 VAL 259 H 0.11 0.64 -0.04 -0.55 8.24 8.40 2rc5B1 VAL 259 HA 0.40 -0.01 0.38 -0.75 4.13 4.14 2rc5B1 VAL 259 HB 0.12 0.09 0.14 -0.04 2.12 2.43 2rc5B1 VAL 259 HG13 0.17 -0.02 -0.06 -0.04 0.97 1.02 2rc5B1 VAL 259 HG23 0.17 0.07 -0.01 -0.04 0.95 1.14 2rc5B1 LYS 260 H 0.09 0.80 -0.13 -0.55 8.42 8.62 2rc5B1 LYS 260 HA 0.11 0.01 0.43 -0.75 4.32 4.11 2rc5B1 LYS 260 HB2 0.05 0.10 0.13 -0.04 1.87 2.11 2rc5B1 LYS 260 HB3 0.04 -0.03 -0.07 -0.04 1.79 1.69 2rc5B1 LYS 260 HG2 0.06 -0.00 -0.03 -0.04 1.46 1.45 2rc5B1 LYS 260 HG3 0.06 -0.00 -0.05 -0.04 1.46 1.42 2rc5B1 LYS 260 HD2 0.03 -0.06 -0.07 -0.04 1.69 1.54 2rc5B1 LYS 260 HD3 0.03 -0.03 -0.03 -0.04 1.68 1.61 2rc5B1 LYS 260 HE2 0.03 0.23 0.01 -0.04 2.99 3.21 2rc5B1 LYS 260 HE3 0.02 -0.07 -0.03 -0.04 2.99 2.88 2rc5B1 LYS 261 H 0.04 0.53 -0.15 -0.55 8.42 8.28 2rc5B1 LYS 261 HA 0.00 0.02 0.50 -0.75 4.32 4.09 2rc5B1 LYS 261 HB2 -0.00 0.10 0.22 -0.04 1.87 2.14 2rc5B1 LYS 261 HB3 -0.02 -0.05 0.01 -0.04 1.79 1.69 2rc5B1 LYS 261 HG2 -0.01 -0.02 0.04 -0.04 1.46 1.42 2rc5B1 LYS 261 HG3 0.01 0.08 0.04 -0.04 1.46 1.54 2rc5B1 LYS 261 HD2 -0.00 -0.07 -0.14 -0.04 1.69 1.44 2rc5B1 LYS 261 HD3 -0.02 -0.00 -0.01 -0.04 1.68 1.61 2rc5B1 LYS 261 HE2 -0.02 0.02 -0.02 -0.04 2.99 2.94 2rc5B1 LYS 261 HE3 -0.00 -0.03 -0.05 -0.04 2.99 2.86 2rc5B1 ILE 262 H -0.02 0.57 -0.15 -0.55 8.25 8.10 2rc5B1 ILE 262 HA -0.10 -0.03 0.44 -0.75 4.18 3.74 2rc5B1 ILE 262 HB -0.34 0.12 0.08 -0.04 1.89 1.72 2rc5B1 ILE 262 HG12 -0.25 0.14 -0.25 -0.04 1.49 1.09 2rc5B1 ILE 262 HG13 -0.14 -0.04 -0.09 -0.04 1.21 0.89 2rc5B1 ILE 262 HG23 -0.88 -0.05 -0.52 -0.04 0.93 -0.56 2rc5B1 ILE 262 HD13 -0.34 -0.01 -0.26 -0.04 0.88 0.22 2rc5B1 LEU 263 H 0.11 0.63 -0.03 -0.55 8.37 8.53 2rc5B1 LEU 263 HA 0.14 0.03 0.37 -0.75 4.35 4.13 2rc5B1 LEU 263 HB2 0.14 0.05 0.15 -0.04 1.64 1.93 2rc5B1 LEU 263 HB3 0.15 -0.03 -0.01 -0.04 1.64 1.71 2rc5B1 LEU 263 HG 0.45 0.13 0.02 -0.04 1.64 2.20 2rc5B1 LEU 263 HD13 0.19 -0.02 -0.15 -0.04 0.93 0.91 2rc5B1 LEU 263 HD23 0.35 -0.03 -0.04 -0.04 0.89 1.13 2rc5B1 ASN 264 H 0.04 0.44 -0.31 -0.55 8.53 8.15 2rc5B1 ASN 264 HA 0.04 0.12 0.71 -0.75 4.76 4.88 2rc5B1 ASN 264 HB2 0.02 0.14 0.07 -0.04 2.88 3.08 2rc5B1 ASN 264 HB3 0.02 -0.08 0.10 -0.04 2.79 2.79 2rc5B1 ASN 264 HD21 0.05 -0.05 -0.01 -0.04 7.03 6.98 2rc5B1 ASN 264 HD22 0.04 0.05 -0.02 -0.04 7.74 7.76 2rc5B1 GLY 265 H -0.01 0.25 -0.21 -0.55 8.43 7.91 2rc5B1 GLY 265 HA2 -0.03 0.13 0.80 -0.51 4.01 4.39 2rc5B1 GLY 265 HA3 -0.04 0.05 0.40 -0.51 4.01 3.90 2rc5B1 GLY 266 H -0.01 0.18 -0.15 -0.55 8.43 7.90 2rc5B1 GLY 266 HA2 0.02 0.06 0.31 -0.51 4.01 3.88 2rc5B1 GLY 266 HA3 -0.04 -0.01 0.44 -0.51 4.01 3.88 2rc5B1 GLY 267 H -0.02 0.45 0.09 -0.55 8.43 8.40 2rc5B1 GLY 267 HA2 0.21 0.07 0.46 -0.51 4.01 4.24 2rc5B1 GLY 267 HA3 -0.03 -0.12 0.39 -0.51 4.01 3.73 2rc5B1 ARG 268 H 0.03 0.53 0.38 -0.55 8.46 8.85 2rc5B1 ARG 268 HA -0.01 0.29 1.03 -0.75 4.34 4.89 2rc5B1 ARG 268 HB2 0.10 -0.13 0.01 -0.04 1.90 1.84 2rc5B1 ARG 268 HB3 -0.02 -0.02 -0.15 -0.04 1.80 1.57 2rc5B1 ARG 268 HG2 0.21 0.37 -0.06 -0.04 1.67 2.15 2rc5B1 ARG 268 HG3 0.19 -0.06 -0.22 -0.04 1.67 1.54 2rc5B1 ARG 268 HD2 -0.38 -0.11 -0.05 -0.04 3.22 2.65 2rc5B1 ARG 268 HD3 -0.23 -0.03 -0.08 -0.04 3.22 2.83 2rc5B1 PHE 269 H 0.08 0.96 0.31 -0.55 8.34 9.14 2rc5B1 PHE 269 HA 0.10 0.19 0.98 -0.75 4.62 5.13 2rc5B1 PHE 269 HB2 0.03 -0.06 0.18 -0.04 3.15 3.27 2rc5B1 PHE 269 HB3 0.09 -0.09 -0.02 -0.04 3.06 3.00 2rc5B1 PHE 269 HD2 0.03 0.06 -0.01 -0.04 7.28 7.33 2rc5B1 PHE 269 HE2 0.05 -0.01 -0.07 -0.04 7.38 7.31 2rc5B1 PHE 269 HZ 0.07 0.12 0.06 -0.04 7.32 7.52 2rc5B1 TYR 270 H 0.42 0.82 0.34 -0.55 8.29 9.32 2rc5B1 TYR 270 HA 0.35 0.25 0.96 -0.75 4.56 5.37 2rc5B1 TYR 270 HB2 0.40 -0.04 0.17 -0.04 3.06 3.55 2rc5B1 TYR 270 HB3 0.64 -0.05 -0.06 -0.04 2.98 3.47 2rc5B1 TYR 270 HD2 -0.72 -0.02 -0.24 -0.04 7.15 6.13 2rc5B1 TYR 270 HE2 -0.59 0.02 -0.29 -0.04 6.85 5.94 2rc5B1 ILE 271 H 0.55 0.90 0.38 -0.55 8.25 9.53 2rc5B1 ILE 271 HA 0.42 0.28 1.13 -0.75 4.18 5.25 2rc5B1 ILE 271 HB 0.24 -0.10 0.15 -0.04 1.89 2.14 2rc5B1 ILE 271 HG12 0.18 0.03 -0.14 -0.04 1.49 1.53 2rc5B1 ILE 271 HG13 0.25 0.04 -0.35 -0.04 1.21 1.11 2rc5B1 ILE 271 HG23 0.15 -0.04 -0.17 -0.04 0.93 0.82 2rc5B1 ILE 271 HD13 0.08 -0.02 -0.10 -0.04 0.88 0.80 2rc5B1 CYS 272 H 0.49 0.93 0.39 -0.55 8.50 9.77 2rc5B1 CYS 272 HA 0.05 0.22 0.93 -0.75 4.58 5.02 2rc5B1 CYS 272 HB2 0.04 -0.02 -0.11 -0.04 2.97 2.84 2rc5B1 CYS 272 HB3 -0.14 0.24 0.17 -0.04 2.97 3.20 2rc5B1 GLY 273 H -0.19 0.47 0.42 -0.55 8.43 8.58 2rc5B1 GLY 273 HA2 -0.26 -0.02 0.43 -0.51 4.01 3.66 2rc5B1 GLY 273 HA3 -0.06 0.11 1.21 -0.51 4.01 4.76 2rc5B1 GLY 274 H -0.16 0.24 0.25 -0.55 8.43 8.20 2rc5B1 GLY 274 HA2 -0.29 -0.04 0.84 -0.51 4.01 4.01 2rc5B1 GLY 274 HA3 -0.20 0.06 0.36 -0.51 4.01 3.73 2rc5B1 PRO 275 HA -0.08 0.01 0.40 -0.51 4.44 4.27 2rc5B1 PRO 275 HB2 -0.02 0.07 0.15 -0.04 2.28 2.43 2rc5B1 PRO 275 HB3 -0.01 0.08 0.13 -0.04 2.02 2.17 2rc5B1 PRO 275 HG2 -0.05 0.12 -0.08 -0.04 2.03 1.97 2rc5B1 PRO 275 HG3 -0.04 0.09 0.05 -0.04 2.03 2.09 2rc5B1 PRO 275 HD2 -0.08 0.04 0.22 -0.04 3.68 3.82 2rc5B1 PRO 275 HD3 -0.05 0.13 0.19 -0.04 3.65 3.88 2rc5B1 LYS 276 H -0.02 0.27 0.14 -0.55 8.42 8.25 2rc5B1 LYS 276 HA -0.03 -0.04 0.23 -0.75 4.32 3.73 2rc5B1 LYS 276 HB2 0.01 0.08 0.17 -0.04 1.87 2.09 2rc5B1 LYS 276 HB3 -0.00 0.05 0.04 -0.04 1.79 1.83 2rc5B1 LYS 276 HG2 0.01 -0.03 -0.00 -0.04 1.46 1.39 2rc5B1 LYS 276 HG3 0.03 0.09 -0.00 -0.04 1.46 1.53 2rc5B1 LYS 276 HD2 0.02 0.03 0.05 -0.04 1.69 1.76 2rc5B1 LYS 276 HD3 0.01 -0.01 0.01 -0.04 1.68 1.65 2rc5B1 LYS 276 HE2 0.02 0.04 0.06 -0.04 2.99 3.07 2rc5B1 LYS 276 HE3 0.01 0.02 0.03 -0.04 2.99 3.00 2rc5B1 GLY 277 H -0.01 0.11 0.16 -0.55 8.43 8.14 2rc5B1 GLY 277 HA2 0.01 0.00 0.33 -0.51 4.01 3.84 2rc5B1 GLY 277 HA3 -0.02 0.21 0.46 -0.51 4.01 4.15 2rc5B1 MET 278 H -0.04 0.45 -0.20 -0.55 8.47 8.13 2rc5B1 MET 278 HA -0.07 0.09 0.35 -0.75 4.52 4.14 2rc5B1 MET 278 HB2 -0.06 -0.05 -0.06 -0.04 2.15 1.94 2rc5B1 MET 278 HB3 -0.07 0.16 -0.26 -0.04 2.03 1.82 2rc5B1 MET 278 HG2 -0.07 0.05 -0.56 -0.04 2.63 2.01 2rc5B1 MET 278 HG3 -0.04 -0.15 -0.20 -0.04 2.56 2.13 2rc5B1 MET 278 HE3 0.07 -0.04 -0.47 -0.04 2.10 1.62 2rc5B1 GLU 279 H 0.02 0.03 -0.42 -0.55 8.60 7.68 2rc5B1 GLU 279 HA 0.06 0.10 0.29 -0.75 4.29 3.99 2rc5B1 GLU 279 HB2 0.10 0.08 -0.01 -0.04 2.09 2.22 2rc5B1 GLU 279 HB3 0.08 0.01 -0.04 -0.04 1.99 2.00 2rc5B1 GLU 279 HG2 0.15 0.05 -0.33 -0.04 2.34 2.18 2rc5B1 GLU 279 HG3 0.10 0.09 -0.10 -0.04 2.34 2.39 2rc5B1 LYS 280 H 0.03 0.34 -0.44 -0.55 8.42 7.80 2rc5B1 LYS 280 HA 0.18 0.03 0.33 -0.75 4.32 4.11 2rc5B1 LYS 280 HB2 -0.11 0.01 0.10 -0.04 1.87 1.83 2rc5B1 LYS 280 HB3 -0.11 0.07 0.11 -0.04 1.79 1.82 2rc5B1 LYS 280 HG2 -0.27 0.03 -0.13 -0.04 1.46 1.04 2rc5B1 LYS 280 HG3 -0.65 -0.06 -0.05 -0.04 1.46 0.66 2rc5B1 LYS 280 HD2 -0.56 -0.02 -0.01 -0.04 1.69 1.06 2rc5B1 LYS 280 HD3 -0.28 0.05 -0.01 -0.04 1.68 1.41 2rc5B1 LYS 280 HE2 -0.38 0.04 -0.03 -0.04 2.99 2.58 2rc5B1 LYS 280 HE3 -1.21 -0.05 -0.03 -0.04 2.99 1.66 2rc5B1 GLY 281 H -0.06 0.24 -0.15 -0.55 8.43 7.92 2rc5B1 GLY 281 HA2 -0.07 0.07 0.29 -0.51 4.01 3.79 2rc5B1 GLY 281 HA3 -0.08 0.04 0.24 -0.51 4.01 3.70 2rc5B1 VAL 282 H -0.01 0.24 -0.37 -0.55 8.24 7.55 2rc5B1 VAL 282 HA -0.03 -0.02 0.44 -0.75 4.13 3.77 2rc5B1 VAL 282 HB 0.04 0.14 0.11 -0.04 2.12 2.37 2rc5B1 VAL 282 HG13 0.01 0.01 -0.19 -0.04 0.97 0.76 2rc5B1 VAL 282 HG23 0.03 0.01 -0.10 -0.04 0.95 0.85 2rc5B1 ILE 283 H 0.08 0.82 0.02 -0.55 8.25 8.62 2rc5B1 ILE 283 HA 0.00 0.04 0.31 -0.75 4.18 3.78 2rc5B1 ILE 283 HB 0.34 0.04 0.09 -0.04 1.89 2.31 2rc5B1 ILE 283 HG12 0.01 0.04 -0.06 -0.04 1.49 1.44 2rc5B1 ILE 283 HG13 0.06 -0.01 -0.01 -0.04 1.21 1.22 2rc5B1 ILE 283 HG23 0.09 -0.01 -0.16 -0.04 0.93 0.82 2rc5B1 ILE 283 HD13 0.08 -0.04 -0.19 -0.04 0.88 0.69 2rc5B1 GLU 284 H 0.11 0.69 -0.09 -0.55 8.60 8.76 2rc5B1 GLU 284 HA 0.02 0.04 0.42 -0.75 4.29 4.02 2rc5B1 GLU 284 HB2 -0.03 0.02 0.01 -0.04 2.09 2.05 2rc5B1 GLU 284 HB3 0.08 -0.06 0.06 -0.04 1.99 2.03 2rc5B1 GLU 284 HG2 -0.00 0.40 -0.00 -0.04 2.34 2.70 2rc5B1 GLU 284 HG3 -0.04 0.05 0.03 -0.04 2.34 2.34 2rc5B1 GLU 285 H -0.04 0.32 -0.51 -0.55 8.60 7.82 2rc5B1 GLU 285 HA -0.10 0.04 0.55 -0.75 4.29 4.02 2rc5B1 GLU 285 HB2 -0.08 0.16 0.21 -0.04 2.09 2.35 2rc5B1 GLU 285 HB3 -0.07 0.05 0.06 -0.04 1.99 1.99 2rc5B1 GLU 285 HG2 -0.10 0.29 0.08 -0.04 2.34 2.56 2rc5B1 GLU 285 HG3 -0.10 -0.04 -0.07 -0.04 2.34 2.09 2rc5B1 ILE 286 H -0.09 0.47 -0.00 -0.55 8.25 8.08 2rc5B1 ILE 286 HA -0.09 0.04 0.47 -0.75 4.18 3.85 2rc5B1 ILE 286 HB -0.08 0.07 0.16 -0.04 1.89 2.01 2rc5B1 ILE 286 HG12 -0.51 0.00 -0.01 -0.04 1.49 0.93 2rc5B1 ILE 286 HG13 -0.23 0.06 0.00 -0.04 1.21 1.00 2rc5B1 ILE 286 HG23 -0.08 0.00 -0.13 -0.04 0.93 0.68 2rc5B1 ILE 286 HD13 -0.92 -0.02 -0.12 -0.04 0.88 -0.22 2rc5B1 GLN 287 H -0.19 0.65 -0.14 -0.55 8.47 8.24 2rc5B1 GLN 287 HA -1.03 0.01 0.40 -0.75 4.36 2.98 2rc5B1 GLN 287 HB2 -0.98 -0.03 0.02 -0.04 2.15 1.12 2rc5B1 GLN 287 HB3 -0.34 0.06 0.06 -0.04 2.02 1.76 2rc5B1 GLN 287 HG2 -0.39 0.14 -0.17 -0.04 2.40 1.93 2rc5B1 GLN 287 HG3 -1.11 -0.10 0.01 -0.04 2.39 1.16 2rc5B1 GLN 287 HE21 -0.02 0.09 -0.53 -0.04 6.97 6.48 2rc5B1 GLN 287 HE22 -0.16 0.06 -0.30 -0.04 7.69 7.25 2rc5B1 LYS 288 H -0.16 0.40 -0.26 -0.55 8.42 7.83 2rc5B1 LYS 288 HA -0.12 0.05 0.49 -0.75 4.32 3.98 2rc5B1 LYS 288 HB2 -0.10 0.09 0.17 -0.04 1.87 1.99 2rc5B1 LYS 288 HB3 -0.09 -0.03 0.00 -0.04 1.79 1.63 2rc5B1 LYS 288 HG2 -0.08 -0.03 0.04 -0.04 1.46 1.34 2rc5B1 LYS 288 HG3 -0.10 0.18 0.09 -0.04 1.46 1.59 2rc5B1 LYS 288 HD2 -0.10 -0.02 0.01 -0.04 1.69 1.54 2rc5B1 LYS 288 HD3 -0.08 -0.03 -0.01 -0.04 1.68 1.53 2rc5B1 LYS 288 HE2 -0.06 -0.02 -0.04 -0.04 2.99 2.83 2rc5B1 LYS 288 HE3 -0.07 0.03 -0.10 -0.04 2.99 2.81 2rc5B1 ILE 289 H -0.09 0.40 -0.29 -0.55 8.25 7.72 2rc5B1 ILE 289 HA -0.03 0.02 0.42 -0.75 4.18 3.84 2rc5B1 ILE 289 HB 0.00 0.14 0.13 -0.04 1.89 2.12 2rc5B1 ILE 289 HG12 -0.01 -0.07 0.03 -0.04 1.49 1.41 2rc5B1 ILE 289 HG13 -0.05 0.00 0.02 -0.04 1.21 1.15 2rc5B1 ILE 289 HG23 0.05 -0.02 -0.13 -0.04 0.93 0.79 2rc5B1 ILE 289 HD13 -0.00 -0.04 -0.15 -0.04 0.88 0.65 2rc5B1 SER 290 H -0.07 0.36 -0.19 -0.55 8.46 8.02 2rc5B1 SER 290 HA 0.06 0.06 0.35 -0.75 4.49 4.21 2rc5B1 SER 290 HB2 0.20 -0.02 0.06 -0.04 3.95 4.15 2rc5B1 SER 290 HB3 0.18 0.07 0.06 -0.04 3.93 4.20 2rc5B1 GLY 291 H -0.08 0.32 -0.54 -0.55 8.43 7.59 2rc5B1 GLY 291 HA2 -0.05 0.04 0.23 -0.51 4.01 3.72 2rc5B1 GLY 291 HA3 -0.02 0.05 0.47 -0.51 4.01 4.00 2rc5B1 ASN 292 H -0.11 0.08 -0.38 -0.55 8.53 7.59 2rc5B1 ASN 292 HA -0.01 0.02 0.47 -0.75 4.76 4.49 2rc5B1 ASN 292 HB2 0.11 0.09 0.00 -0.04 2.88 3.04 2rc5B1 ASN 292 HB3 -0.22 -0.00 0.06 -0.04 2.79 2.58 2rc5B1 ASN 292 HD21 0.00 -0.03 -0.03 -0.04 7.03 6.93 2rc5B1 ASN 292 HD22 0.07 0.11 -0.02 -0.04 7.74 7.87 2rc5B1 THR 293 H -0.02 0.11 0.16 -0.55 8.28 7.98 2rc5B1 THR 293 HA -0.04 0.22 0.70 -0.75 4.39 4.51 2rc5B1 THR 293 HB -0.02 -0.05 0.13 -0.04 4.32 4.34 2rc5B1 THR 293 HG23 -0.03 0.05 -0.08 -0.04 1.22 1.12 2rc5B1 GLY 294 H -0.00 -0.01 -0.17 -0.55 8.43 7.70 2rc5B1 GLY 294 HA2 0.01 0.08 0.55 -0.51 4.01 4.13 2rc5B1 GLY 294 HA3 0.02 0.00 0.25 -0.51 4.01 3.77 2rc5B1 THR 295 H 0.03 0.06 0.11 -0.55 8.28 7.94 2rc5B1 THR 295 HA 0.05 0.24 0.51 -0.75 4.39 4.44 2rc5B1 THR 295 HB 0.07 0.01 0.18 -0.04 4.32 4.53 2rc5B1 THR 295 HG23 0.03 0.05 0.07 -0.04 1.22 1.34 2rc5B1 TYR 296 H 0.18 0.20 0.14 -0.55 8.29 8.26 2rc5B1 TYR 296 HA 0.06 0.18 0.41 -0.75 4.56 4.45 2rc5B1 TYR 296 HB2 0.00 0.10 0.10 -0.04 3.06 3.23 2rc5B1 TYR 296 HB3 0.02 -0.06 0.13 -0.04 2.98 3.03 2rc5B1 TYR 296 HD2 0.02 0.01 -0.10 -0.04 7.15 7.05 2rc5B1 TYR 296 HE2 0.02 0.03 -0.04 -0.04 6.85 6.81 2rc5B1 GLU 297 H 0.16 0.09 -0.15 -0.55 8.60 8.16 2rc5B1 GLU 297 HA -0.11 0.09 0.36 -0.75 4.29 3.88 2rc5B1 GLU 297 HB2 0.15 0.01 0.08 -0.04 2.09 2.28 2rc5B1 GLU 297 HB3 0.07 -0.00 0.02 -0.04 1.99 2.03 2rc5B1 GLU 297 HG2 0.03 0.01 0.03 -0.04 2.34 2.36 2rc5B1 GLU 297 HG3 0.04 0.05 -0.01 -0.04 2.34 2.38 2rc5B1 GLU 298 H 0.05 0.00 -0.30 -0.55 8.60 7.81 2rc5B1 GLU 298 HA 0.05 0.10 0.48 -0.75 4.29 4.17 2rc5B1 GLU 298 HB2 0.05 0.05 0.05 -0.04 2.09 2.19 2rc5B1 GLU 298 HB3 0.02 0.09 -0.01 -0.04 1.99 2.04 2rc5B1 GLU 298 HG2 0.03 0.09 0.02 -0.04 2.34 2.44 2rc5B1 GLU 298 HG3 0.04 -0.10 0.04 -0.04 2.34 2.27 2rc5B1 PHE 299 H 0.13 0.49 -0.33 -0.55 8.34 8.08 2rc5B1 PHE 299 HA -0.03 0.08 0.41 -0.75 4.62 4.32 2rc5B1 PHE 299 HB2 -0.05 0.02 -0.06 -0.04 3.15 3.02 2rc5B1 PHE 299 HB3 -0.11 0.06 0.06 -0.04 3.06 3.03 2rc5B1 PHE 299 HD2 -0.08 -0.04 -0.12 -0.04 7.28 7.00 2rc5B1 PHE 299 HE2 -0.04 0.02 -0.09 -0.04 7.38 7.23 2rc5B1 PHE 299 HZ -0.01 0.06 -0.23 -0.04 7.32 7.10 2rc5B1 LYS 300 H -0.12 0.54 -0.11 -0.55 8.42 8.18 2rc5B1 LYS 300 HA -0.27 0.07 0.38 -0.75 4.32 3.74 2rc5B1 LYS 300 HB2 -0.59 0.02 0.05 -0.04 1.87 1.32 2rc5B1 LYS 300 HB3 -0.32 -0.02 0.14 -0.04 1.79 1.55 2rc5B1 LYS 300 HG2 -0.12 0.03 -0.27 -0.04 1.46 1.07 2rc5B1 LYS 300 HG3 -0.14 -0.01 -0.07 -0.04 1.46 1.20 2rc5B1 LYS 300 HD2 -0.25 -0.04 -0.10 -0.04 1.69 1.27 2rc5B1 LYS 300 HD3 -0.12 -0.01 -0.08 -0.04 1.68 1.43 2rc5B1 LYS 300 HE2 0.01 0.02 -0.11 -0.04 2.99 2.87 2rc5B1 LYS 300 HE3 0.11 -0.10 -0.10 -0.04 2.99 2.86 2rc5B1 HIS 301 H 0.01 0.58 -0.05 -0.55 8.41 8.41 2rc5B1 HIS 301 HA -0.12 0.03 0.39 -0.75 4.63 4.17 2rc5B1 HIS 301 HB2 -0.06 0.00 0.14 -0.04 3.26 3.30 2rc5B1 HIS 301 HB3 -0.04 0.05 0.07 -0.04 3.20 3.23 2rc5B1 HIS 301 HD2 -0.10 -0.03 0.10 -0.04 6.97 6.90 2rc5B1 HIS 301 HE1 -0.03 0.01 -0.01 -0.04 7.75 7.67 2rc5B1 HIS 302 H 0.02 0.37 -0.32 -0.55 8.41 7.93 2rc5B1 HIS 302 HA -0.23 0.03 0.55 -0.75 4.63 4.23 2rc5B1 HIS 302 HB2 -0.11 -0.00 0.14 -0.04 3.26 3.25 2rc5B1 HIS 302 HB3 -0.18 0.13 0.15 -0.04 3.20 3.26 2rc5B1 HIS 302 HD2 -0.09 -0.03 0.02 -0.04 6.97 6.82 2rc5B1 HIS 302 HE1 -0.05 0.05 -0.04 -0.04 7.75 7.67 2rc5B1 LEU 303 H -0.25 0.39 -0.27 -0.55 8.37 7.70 2rc5B1 LEU 303 HA -0.30 0.10 0.41 -0.75 4.35 3.80 2rc5B1 LEU 303 HB2 -0.53 0.26 0.18 -0.04 1.64 1.51 2rc5B1 LEU 303 HB3 -0.26 -0.04 -0.02 -0.04 1.64 1.29 2rc5B1 LEU 303 HG -0.05 0.00 -0.16 -0.04 1.64 1.39 2rc5B1 LEU 303 HD13 -0.18 0.01 -0.03 -0.04 0.93 0.70 2rc5B1 LEU 303 HD23 -0.33 -0.02 -0.10 -0.04 0.89 0.39 2rc5B1 GLU 304 H -0.21 0.52 -0.05 -0.55 8.60 8.32 2rc5B1 GLU 304 HA -0.42 0.17 0.73 -0.75 4.29 4.01 2rc5B1 GLU 304 HB2 -0.04 0.02 0.17 -0.04 2.09 2.20 2rc5B1 GLU 304 HB3 -0.17 -0.02 0.10 -0.04 1.99 1.86 2rc5B1 GLU 304 HG2 -0.17 0.12 -0.03 -0.04 2.34 2.21 2rc5B1 GLU 304 HG3 -0.14 0.22 0.04 -0.04 2.34 2.42 2rc5B1 GLY 305 H -0.27 0.65 -0.03 -0.55 8.43 8.22 2rc5B1 GLY 305 HA2 -0.29 0.02 0.55 -0.51 4.01 3.77 2rc5B1 GLY 305 HA3 -0.31 0.00 0.36 -0.51 4.01 3.55 2rc5B1 ALA 306 H -0.37 0.56 -0.15 -0.55 8.40 7.89 2rc5B1 ALA 306 HA -0.14 0.04 0.56 -0.75 4.34 4.05 2rc5B1 ALA 306 HB3 -0.30 -0.02 0.12 -0.04 1.41 1.18 2rc5B1 HIS 307 H -0.36 0.25 -0.78 -0.55 8.41 6.97 2rc5B1 HIS 307 HA -0.36 0.05 0.33 -0.75 4.63 3.90 2rc5B1 HIS 307 HB2 0.03 0.27 0.03 -0.04 3.26 3.54 2rc5B1 HIS 307 HB3 0.19 -0.05 0.26 -0.04 3.20 3.56 2rc5B1 HIS 307 HD2 -0.00 0.01 -0.09 -0.04 6.97 6.84 2rc5B1 HIS 307 HE1 0.10 -0.04 0.05 -0.04 7.75 7.81 2rc5B1 GLN 308 H -0.24 0.67 0.13 -0.55 8.47 8.48 2rc5B1 GLN 308 HA 0.06 0.36 0.96 -0.75 4.36 4.99 2rc5B1 GLN 308 HB2 -0.08 -0.06 0.07 -0.04 2.15 2.03 2rc5B1 GLN 308 HB3 0.02 -0.11 0.08 -0.04 2.02 1.98 2rc5B1 GLN 308 HG2 0.05 0.26 -0.15 -0.04 2.40 2.52 2rc5B1 GLN 308 HG3 -0.03 0.02 -0.27 -0.04 2.39 2.08 2rc5B1 GLN 308 HE21 0.03 0.02 0.09 -0.04 6.97 7.06 2rc5B1 GLN 308 HE22 0.01 0.34 0.00 -0.04 7.69 8.00 2rc5B1 LEU 309 H -0.53 0.21 -0.01 -0.55 8.37 7.49 2rc5B1 LEU 309 HA 0.02 0.25 0.91 -0.75 4.35 4.78 2rc5B1 LEU 309 HB2 -0.03 0.05 -0.27 -0.04 1.64 1.35 2rc5B1 LEU 309 HB3 -0.21 -0.07 -0.31 -0.04 1.64 1.02 2rc5B1 LEU 309 HG -0.05 -0.05 -0.38 -0.04 1.64 1.11 2rc5B1 LEU 309 HD13 0.07 0.01 -0.11 -0.04 0.93 0.85 2rc5B1 LEU 309 HD23 -0.11 0.01 -0.06 -0.04 0.89 0.68 2rc5B1 PHE 310 H 0.10 0.68 0.28 -0.55 8.34 8.84 2rc5B1 PHE 310 HA 0.04 0.12 0.89 -0.75 4.62 4.91 2rc5B1 PHE 310 HB2 -0.61 -0.05 0.13 -0.04 3.15 2.58 2rc5B1 PHE 310 HB3 -0.08 -0.07 -0.01 -0.04 3.06 2.86 2rc5B1 PHE 310 HD2 -0.41 0.05 -0.18 -0.04 7.28 6.71 2rc5B1 PHE 310 HE2 -0.06 0.11 -0.14 -0.04 7.38 7.25 2rc5B1 PHE 310 HZ 0.07 0.11 -0.01 -0.04 7.32 7.45 2rc5B1 VAL 311 H 0.25 0.25 0.16 -0.55 8.24 8.35 2rc5B1 VAL 311 HA 0.42 0.37 1.11 -0.75 4.13 5.28 2rc5B1 VAL 311 HB 0.18 -0.00 0.08 -0.04 2.12 2.34 2rc5B1 VAL 311 HG13 0.08 0.01 -0.19 -0.04 0.97 0.83 2rc5B1 VAL 311 HG23 0.10 -0.05 -0.09 -0.04 0.95 0.87 2rc5B1 GLU 312 H 0.15 0.80 0.27 -0.55 8.60 9.27 2rc5B1 GLU 312 HA 0.01 0.12 0.70 -0.75 4.29 4.37 2rc5B1 GLU 312 HB2 -0.60 0.07 -0.07 -0.04 2.09 1.45 2rc5B1 GLU 312 HB3 -0.54 -0.04 0.27 -0.04 1.99 1.64 2rc5B1 GLU 312 HG2 -0.30 0.05 0.03 -0.04 2.34 2.08 2rc5B1 GLU 312 HG3 -0.04 -0.08 -0.06 -0.04 2.34 2.12 2rc5B1 THR 313 H 0.04 0.19 0.10 -0.55 8.28 8.06 2rc5B1 THR 313 HA -0.18 0.29 1.18 -0.75 4.39 4.92 2rc5B1 THR 313 HB -0.09 0.12 0.11 -0.04 4.32 4.42 2rc5B1 THR 313 HG23 0.02 -0.03 -0.24 -0.04 1.22 0.93 2rc5B1 TYR 314 H -0.50 0.37 0.04 -0.55 8.29 7.65 2rc5B1 TYR 314 HA -0.02 0.19 0.63 -0.75 4.56 4.60 2rc5B1 TYR 314 HB2 -0.06 0.04 0.03 -0.04 3.06 3.03 2rc5B1 TYR 314 HB3 -0.06 0.14 -0.31 -0.04 2.98 2.71 2rc5B1 TYR 314 HD2 -0.05 0.03 -0.15 -0.04 7.15 6.94 2rc5B1 TYR 314 HE2 -0.03 0.03 0.03 -0.04 6.85 6.84