============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 17 1.000 -20.502 3.860 24.748 -99.200 -91.000 PHE 45 1.000 -18.090 3.471 29.169 -99.200 -91.000 TYR 48 0.840 -14.293 11.932 35.348 -99.200 -91.000 HIS 52 0.900 -11.018 10.503 24.590 -99.200 -91.000 PHE 55 1.000 -18.668 18.446 18.129 -99.200 -91.000 TYR 56 0.840 -9.575 17.271 16.795 -99.200 -91.000 HIS 57 0.900 -15.581 21.172 13.482 -99.200 -91.000 PHE 58 1.000 -17.027 24.756 17.925 -99.200 -91.000 TYR 61 0.840 -5.054 25.697 14.190 -99.200 -91.000 TYR 65 0.840 0.568 29.304 11.196 -99.200 -91.000 PHE 69 1.000 -8.501 19.882 12.370 -99.200 -91.000 HIS 71 0.900 -10.440 27.100 4.452 -99.200 -91.000 TYR 78 0.840 -12.544 17.676 10.488 -99.200 -91.000 TYR 86 0.840 -7.711 4.288 26.888 -99.200 -91.000 HIS 93 0.900 -11.744 2.494 14.767 -99.200 -91.000 PHE 96 1.000 -14.088 11.805 17.201 -99.200 -91.000 TYR 98 0.840 -16.962 16.366 13.195 -99.200 -91.000 TYR 100 0.840 -19.275 20.872 9.057 -99.200 -91.000 PHE 109 1.000 -18.485 13.300 17.442 -99.200 -91.000 PHE 116 1.000 -10.757 -0.121 27.692 -99.200 -91.000 PHE 123 1.000 -14.787 -2.289 32.803 -99.200 -91.000 HIS 136 0.900 4.195 15.834 15.485 -99.200 -91.000 HIS 138 0.900 3.430 14.311 10.429 -99.200 -91.000 PHE 149 1.000 -4.481 13.032 21.975 -99.200 -91.000 PHE 153 1.000 -8.624 9.165 31.224 -99.200 -91.000 TYR 160 0.840 -0.459 11.800 36.852 -99.200 -91.000 TYR 161 0.840 -6.478 3.695 32.454 -99.200 -91.000 HIS 168 0.900 -4.698 6.970 10.407 -99.200 -91.000 HIS 170 0.900 -9.394 11.675 3.067 -99.200 -91.000 PHE 171 1.000 -8.572 18.308 6.891 -99.200 -91.000 HIS 176 0.900 -6.038 28.274 5.350 -99.200 -91.000 PHE 187 1.000 4.420 20.954 18.329 -99.200 -91.000 PHE 189 1.000 -3.035 23.357 26.947 -99.200 -91.000 HIS 196 0.900 -17.906 13.889 32.383 -99.200 -91.000 TYR 206 0.840 -11.453 27.151 28.200 -99.200 -91.000 HIS 208 0.900 -6.509 28.366 23.761 -99.200 -91.000 PHE 210 1.000 1.886 24.935 21.327 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2g6yA1 ALA 3 HA 0.08 -0.06 0.29 -0.75 4.34 3.90 2g6yA1 ALA 3 HB3 0.01 -0.02 -0.04 -0.04 1.41 1.33 2g6yA1 MET 4 H 0.17 0.54 0.35 -0.55 8.47 8.99 2g6yA1 MET 4 HA 0.08 0.00 0.88 -0.75 4.52 4.73 2g6yA1 MET 4 HB2 0.19 0.00 0.06 -0.04 2.15 2.36 2g6yA1 MET 4 HB3 0.47 0.00 0.05 -0.04 2.03 2.51 2g6yA1 MET 4 HG2 0.15 0.21 -0.17 -0.04 2.63 2.79 2g6yA1 MET 4 HG3 0.10 -0.09 -0.36 -0.04 2.56 2.17 2g6yA1 MET 4 HE3 0.00 0.01 -0.04 -0.04 2.10 2.04 2g6yA1 GLU 5 H 0.04 0.76 0.41 -0.55 8.60 9.27 2g6yA1 GLU 5 HA -0.04 0.15 0.90 -0.75 4.29 4.54 2g6yA1 GLU 5 HB2 0.01 -0.02 0.25 -0.04 2.09 2.29 2g6yA1 GLU 5 HB3 -0.02 0.02 0.12 -0.04 1.99 2.07 2g6yA1 GLU 5 HG2 -0.01 -0.00 0.10 -0.04 2.34 2.39 2g6yA1 GLU 5 HG3 0.01 0.04 0.14 -0.04 2.34 2.48 2g6yA1 ILE 6 H -0.11 0.69 0.34 -0.55 8.25 8.62 2g6yA1 ILE 6 HA -0.11 0.25 1.03 -0.75 4.18 4.60 2g6yA1 ILE 6 HB -0.30 -0.11 -0.07 -0.04 1.89 1.37 2g6yA1 ILE 6 HG12 -0.31 -0.01 -0.12 -0.04 1.49 1.00 2g6yA1 ILE 6 HG13 -0.27 -0.01 -0.49 -0.04 1.21 0.39 2g6yA1 ILE 6 HG23 -0.71 -0.00 -0.19 -0.04 0.93 -0.01 2g6yA1 ILE 6 HD13 -0.88 0.02 -0.21 -0.04 0.88 -0.23 2g6yA1 GLU 7 H -0.02 0.60 0.50 -0.55 8.60 9.13 2g6yA1 GLU 7 HA -0.04 0.28 1.12 -0.75 4.29 4.89 2g6yA1 GLU 7 HB2 -0.01 -0.13 0.15 -0.04 2.09 2.06 2g6yA1 GLU 7 HB3 -0.03 0.03 0.13 -0.04 1.99 2.08 2g6yA1 GLU 7 HG2 -0.02 0.08 0.06 -0.04 2.34 2.42 2g6yA1 GLU 7 HG3 -0.02 -0.05 -0.26 -0.04 2.34 1.97 2g6yA1 CYS 8 H -0.03 0.67 0.38 -0.55 8.50 8.97 2g6yA1 CYS 8 HA -0.11 0.28 1.06 -0.75 4.58 5.06 2g6yA1 CYS 8 HB2 0.20 0.03 -0.37 -0.04 2.97 2.79 2g6yA1 CYS 8 HB3 0.04 -0.06 -0.21 -0.04 2.97 2.69 2g6yA1 ARG 9 H -0.29 0.64 0.41 -0.55 8.46 8.67 2g6yA1 ARG 9 HA -0.07 0.00 0.94 -0.75 4.34 4.46 2g6yA1 ARG 9 HB2 -0.08 0.00 0.14 -0.04 1.90 1.92 2g6yA1 ARG 9 HB3 -0.13 0.00 0.19 -0.04 1.80 1.82 2g6yA1 ARG 9 HG2 -0.08 -0.06 -0.37 -0.04 1.67 1.12 2g6yA1 ARG 9 HG3 -0.05 0.14 0.09 -0.04 1.67 1.81 2g6yA1 ARG 9 HD2 -0.06 0.00 -0.06 -0.04 3.22 3.07 2g6yA1 ARG 9 HD3 -0.06 0.00 -0.01 -0.04 3.22 3.11 2g6yA1 ILE 10 H -0.02 0.71 0.29 -0.55 8.25 8.68 2g6yA1 ILE 10 HA -0.01 0.27 0.98 -0.75 4.18 4.67 2g6yA1 ILE 10 HB 0.13 -0.09 0.01 -0.04 1.89 1.90 2g6yA1 ILE 10 HG12 0.26 0.07 -0.22 -0.04 1.49 1.55 2g6yA1 ILE 10 HG13 0.05 -0.07 -0.52 -0.04 1.21 0.63 2g6yA1 ILE 10 HG23 0.23 -0.01 -0.31 -0.04 0.93 0.80 2g6yA1 ILE 10 HD13 0.22 0.00 -0.35 -0.04 0.88 0.71 2g6yA1 THR 11 H -0.08 0.67 0.40 -0.55 8.28 8.73 2g6yA1 THR 11 HA -0.21 0.25 1.13 -0.75 4.39 4.81 2g6yA1 THR 11 HB -0.15 0.06 0.18 -0.04 4.32 4.36 2g6yA1 THR 11 HG23 -0.08 -0.01 -0.09 -0.04 1.22 0.99 2g6yA1 GLY 12 H -0.63 0.64 0.42 -0.55 8.43 8.32 2g6yA1 GLY 12 HA2 -0.28 0.09 0.60 -0.51 4.01 3.91 2g6yA1 GLY 12 HA3 -0.62 0.01 0.52 -0.51 4.01 3.41 2g6yA1 THR 13 H -0.09 0.55 0.42 -0.55 8.28 8.61 2g6yA1 THR 13 HA 0.07 0.38 0.68 -0.75 4.39 4.77 2g6yA1 THR 13 HB 0.05 -0.14 -0.27 -0.04 4.32 3.92 2g6yA1 THR 13 HG23 -0.04 0.01 -0.27 -0.04 1.22 0.89 2g6yA1 LEU 14 H 0.24 0.65 0.15 -0.55 8.37 8.86 2g6yA1 LEU 14 HA 0.06 0.14 0.88 -0.75 4.35 4.68 2g6yA1 LEU 14 HB2 -0.40 0.00 -0.14 -0.04 1.64 1.06 2g6yA1 LEU 14 HB3 -0.14 0.05 0.03 -0.04 1.64 1.53 2g6yA1 LEU 14 HG -0.16 -0.05 0.00 -0.04 1.64 1.40 2g6yA1 LEU 14 HD13 -1.11 -0.01 -0.12 -0.04 0.93 -0.34 2g6yA1 LEU 14 HD23 -0.19 0.01 -0.29 -0.04 0.89 0.39 2g6yA1 ASN 15 H 0.13 0.60 0.17 -0.55 8.53 8.88 2g6yA1 ASN 15 HA 0.12 -0.03 0.39 -0.75 4.76 4.49 2g6yA1 ASN 15 HB2 0.18 0.13 -0.15 -0.04 2.88 2.99 2g6yA1 ASN 15 HB3 0.10 0.06 0.25 -0.04 2.79 3.16 2g6yA1 ASN 15 HD21 0.41 0.41 0.06 -0.04 7.03 7.87 2g6yA1 ASN 15 HD22 0.21 0.03 -0.02 -0.04 7.74 7.92 2g6yA1 GLY 16 H 0.08 0.06 -0.38 -0.55 8.43 7.64 2g6yA1 GLY 16 HA2 0.04 -0.01 0.27 -0.51 4.01 3.80 2g6yA1 GLY 16 HA3 0.04 0.21 0.68 -0.51 4.01 4.43 2g6yA1 VAL 17 H 0.11 0.44 -0.36 -0.55 8.24 7.88 2g6yA1 VAL 17 HA 0.07 0.10 0.47 -0.75 4.13 4.02 2g6yA1 VAL 17 HB 0.17 0.00 0.14 -0.04 2.12 2.39 2g6yA1 VAL 17 HG13 0.12 0.02 -0.06 -0.04 0.97 1.01 2g6yA1 VAL 17 HG23 0.05 0.03 -0.02 -0.04 0.95 0.97 2g6yA1 GLU 18 H 0.06 0.16 0.26 -0.55 8.60 8.53 2g6yA1 GLU 18 HA 0.01 0.17 0.69 -0.75 4.29 4.40 2g6yA1 GLU 18 HB2 0.02 -0.02 0.17 -0.04 2.09 2.22 2g6yA1 GLU 18 HB3 -0.02 0.02 0.03 -0.04 1.99 1.98 2g6yA1 GLU 18 HG2 -0.04 0.01 0.04 -0.04 2.34 2.32 2g6yA1 GLU 18 HG3 0.00 0.03 0.11 -0.04 2.34 2.44 2g6yA1 PHE 19 H -0.30 0.68 0.41 -0.55 8.34 8.58 2g6yA1 PHE 19 HA 0.03 0.17 0.66 -0.75 4.62 4.73 2g6yA1 PHE 19 HB2 0.06 -0.04 0.02 -0.04 3.15 3.15 2g6yA1 PHE 19 HB3 0.15 0.08 -0.17 -0.04 3.06 3.08 2g6yA1 PHE 19 HD2 0.14 0.08 -0.31 -0.04 7.28 7.15 2g6yA1 PHE 19 HE2 0.03 -0.02 -0.47 -0.04 7.38 6.88 2g6yA1 PHE 19 HZ 0.02 -0.02 -0.27 -0.04 7.32 7.02 2g6yA1 GLU 20 H 0.16 0.23 0.19 -0.55 8.60 8.64 2g6yA1 GLU 20 HA -0.01 0.33 0.88 -0.75 4.29 4.74 2g6yA1 GLU 20 HB2 -0.05 0.07 -0.07 -0.04 2.09 2.00 2g6yA1 GLU 20 HB3 0.00 -0.10 0.04 -0.04 1.99 1.90 2g6yA1 GLU 20 HG2 -0.01 -0.01 -0.17 -0.04 2.34 2.11 2g6yA1 GLU 20 HG3 -0.04 0.05 0.10 -0.04 2.34 2.41 2g6yA1 LEU 21 H 0.06 0.70 0.39 -0.55 8.37 8.98 2g6yA1 LEU 21 HA 0.03 0.32 0.94 -0.75 4.35 4.89 2g6yA1 LEU 21 HB2 0.09 -0.05 -0.05 -0.04 1.64 1.59 2g6yA1 LEU 21 HB3 0.03 -0.01 -0.20 -0.04 1.64 1.42 2g6yA1 LEU 21 HG 0.07 0.10 -0.29 -0.04 1.64 1.48 2g6yA1 LEU 21 HD13 0.24 -0.01 -0.29 -0.04 0.93 0.82 2g6yA1 LEU 21 HD23 -0.03 -0.01 -0.30 -0.04 0.89 0.51 2g6yA1 VAL 22 H 0.00 0.55 0.39 -0.55 8.24 8.63 2g6yA1 VAL 22 HA -0.02 0.23 1.11 -0.75 4.13 4.69 2g6yA1 VAL 22 HB -0.02 0.05 0.16 -0.04 2.12 2.27 2g6yA1 VAL 22 HG13 -0.03 -0.02 -0.08 -0.04 0.97 0.80 2g6yA1 VAL 22 HG23 -0.01 0.01 0.04 -0.04 0.95 0.95 2g6yA1 GLY 23 H -0.02 0.62 0.44 -0.55 8.43 8.93 2g6yA1 GLY 23 HA2 -0.01 0.02 0.45 -0.51 4.01 3.95 2g6yA1 GLY 23 HA3 -0.00 0.24 0.95 -0.51 4.01 4.69 2g6yA1 GLY 24 H -0.01 0.67 0.46 -0.55 8.43 9.00 2g6yA1 GLY 24 HA2 -0.06 -0.04 0.36 -0.51 4.01 3.77 2g6yA1 GLY 24 HA3 -0.05 0.22 0.65 -0.51 4.01 4.32 2g6yA1 GLY 25 H -0.11 0.60 0.42 -0.55 8.43 8.80 2g6yA1 GLY 25 HA2 -0.07 0.03 0.53 -0.51 4.01 3.99 2g6yA1 GLY 25 HA3 -0.12 0.23 0.36 -0.51 4.01 3.98 2g6yA1 GLU 26 H -0.18 0.31 0.39 -0.55 8.60 8.57 2g6yA1 GLU 26 HA -0.18 0.20 0.85 -0.75 4.29 4.41 2g6yA1 GLU 26 HB2 -0.07 0.08 0.06 -0.04 2.09 2.11 2g6yA1 GLU 26 HB3 -0.07 0.06 -0.06 -0.04 1.99 1.88 2g6yA1 GLU 26 HG2 -0.08 -0.10 -0.06 -0.04 2.34 2.06 2g6yA1 GLU 26 HG3 -0.10 -0.03 -0.17 -0.04 2.34 2.00 2g6yA1 GLY 27 H -0.18 0.61 0.38 -0.55 8.43 8.69 2g6yA1 GLY 27 HA2 -0.32 0.13 0.85 -0.51 4.01 4.16 2g6yA1 GLY 27 HA3 -1.19 0.02 0.41 -0.51 4.01 2.74 2g6yA1 THR 28 H 0.04 0.72 0.25 -0.55 8.28 8.73 2g6yA1 THR 28 HA 0.17 0.20 1.00 -0.75 4.39 5.00 2g6yA1 THR 28 HB 0.08 -0.01 0.19 -0.04 4.32 4.54 2g6yA1 THR 28 HG23 0.09 -0.04 -0.00 -0.04 1.22 1.23 2g6yA1 PRO 29 HA 0.24 0.06 0.34 -0.51 4.44 4.56 2g6yA1 PRO 29 HB2 0.07 0.01 0.06 -0.04 2.28 2.38 2g6yA1 PRO 29 HB3 0.05 0.25 0.18 -0.04 2.02 2.46 2g6yA1 PRO 29 HG2 -0.02 0.04 0.03 -0.04 2.03 2.04 2g6yA1 PRO 29 HG3 -0.16 0.02 -0.10 -0.04 2.03 1.75 2g6yA1 PRO 29 HD2 0.15 0.12 0.18 -0.04 3.68 4.08 2g6yA1 PRO 29 HD3 0.38 0.18 -0.02 -0.04 3.65 4.15 2g6yA1 GLU 30 H 0.11 0.12 -0.19 -0.55 8.60 8.09 2g6yA1 GLU 30 HA 0.11 0.12 0.42 -0.75 4.29 4.19 2g6yA1 GLU 30 HB2 0.08 -0.02 0.04 -0.04 2.09 2.15 2g6yA1 GLU 30 HB3 0.08 0.05 0.05 -0.04 1.99 2.13 2g6yA1 GLU 30 HG2 0.07 -0.06 0.02 -0.04 2.34 2.33 2g6yA1 GLU 30 HG3 0.06 0.02 0.03 -0.04 2.34 2.41 2g6yA1 GLN 31 H 0.14 0.23 -0.32 -0.55 8.47 7.97 2g6yA1 GLN 31 HA 0.16 0.18 0.81 -0.75 4.36 4.76 2g6yA1 GLN 31 HB2 0.12 0.04 0.12 -0.04 2.15 2.39 2g6yA1 GLN 31 HB3 0.16 -0.00 0.09 -0.04 2.02 2.23 2g6yA1 GLN 31 HG2 0.10 0.04 0.01 -0.04 2.40 2.51 2g6yA1 GLN 31 HG3 0.09 -0.06 -0.08 -0.04 2.39 2.30 2g6yA1 GLN 31 HE21 0.05 0.01 -0.02 -0.04 6.97 6.97 2g6yA1 GLN 31 HE22 0.06 0.00 -0.02 -0.04 7.69 7.69 2g6yA1 GLY 32 H 0.17 0.23 -0.29 -0.55 8.43 7.99 2g6yA1 GLY 32 HA2 0.13 0.12 0.21 -0.51 4.01 3.96 2g6yA1 GLY 32 HA3 0.05 0.05 0.54 -0.51 4.01 4.14 2g6yA1 ARG 33 H 0.10 0.18 -0.03 -0.55 8.46 8.15 2g6yA1 ARG 33 HA -0.26 0.40 1.07 -0.75 4.34 4.80 2g6yA1 ARG 33 HB2 0.08 0.12 -0.16 -0.04 1.90 1.90 2g6yA1 ARG 33 HB3 -0.01 -0.13 0.03 -0.04 1.80 1.65 2g6yA1 ARG 33 HG2 -0.23 -0.06 -0.13 -0.04 1.67 1.21 2g6yA1 ARG 33 HG3 -0.74 0.05 -0.01 -0.04 1.67 0.93 2g6yA1 ARG 33 HD2 0.17 0.04 -0.05 -0.04 3.22 3.33 2g6yA1 ARG 33 HD3 0.00 -0.05 -0.08 -0.04 3.22 3.06 2g6yA1 MET 34 H -0.25 0.59 0.41 -0.55 8.47 8.68 2g6yA1 MET 34 HA -0.31 0.00 0.67 -0.75 4.52 4.13 2g6yA1 MET 34 HB2 -0.57 0.00 0.04 -0.04 2.15 1.58 2g6yA1 MET 34 HB3 -0.59 0.00 -0.04 -0.04 2.03 1.36 2g6yA1 MET 34 HG2 -0.02 0.00 -0.19 -0.04 2.63 2.38 2g6yA1 MET 34 HG3 -0.10 -0.11 -0.24 -0.04 2.56 2.07 2g6yA1 MET 34 HE3 -0.01 0.03 -0.34 -0.04 2.10 1.75 2g6yA1 THR 35 H -0.24 0.67 0.43 -0.55 8.28 8.60 2g6yA1 THR 35 HA -0.09 0.28 1.11 -0.75 4.39 4.93 2g6yA1 THR 35 HB -0.06 0.06 0.15 -0.04 4.32 4.44 2g6yA1 THR 35 HG23 -0.09 -0.01 -0.05 -0.04 1.22 1.04 2g6yA1 ASN 36 H -0.01 0.58 0.30 -0.55 8.53 8.85 2g6yA1 ASN 36 HA -0.05 0.15 0.37 -0.75 4.76 4.47 2g6yA1 ASN 36 HB2 0.00 0.09 -0.31 -0.04 2.88 2.62 2g6yA1 ASN 36 HB3 0.09 -0.09 -0.05 -0.04 2.79 2.70 2g6yA1 ASN 36 HD21 0.24 -0.10 -0.23 -0.04 7.03 6.89 2g6yA1 ASN 36 HD22 0.31 0.46 -0.15 -0.04 7.74 8.31 2g6yA1 LYS 37 H -0.01 0.73 0.36 -0.55 8.42 8.95 2g6yA1 LYS 37 HA 0.03 0.26 1.09 -0.75 4.32 4.94 2g6yA1 LYS 37 HB2 -0.01 0.03 0.24 -0.04 1.87 2.09 2g6yA1 LYS 37 HB3 0.01 0.01 0.09 -0.04 1.79 1.86 2g6yA1 LYS 37 HG2 0.02 0.02 0.15 -0.04 1.46 1.61 2g6yA1 LYS 37 HG3 -0.00 -0.07 -0.13 -0.04 1.46 1.22 2g6yA1 LYS 37 HD2 -0.01 -0.00 0.01 -0.04 1.69 1.66 2g6yA1 LYS 37 HD3 0.00 0.00 0.01 -0.04 1.68 1.65 2g6yA1 LYS 37 HE2 0.01 0.01 -0.02 -0.04 2.99 2.95 2g6yA1 LYS 37 HE3 0.00 -0.01 -0.03 -0.04 2.99 2.91 2g6yA1 MET 38 H 0.02 0.65 0.35 -0.55 8.47 8.93 2g6yA1 MET 38 HA 0.00 0.30 1.01 -0.75 4.52 5.07 2g6yA1 MET 38 HB2 0.02 -0.05 -0.16 -0.04 2.15 1.92 2g6yA1 MET 38 HB3 0.02 -0.04 -0.24 -0.04 2.03 1.72 2g6yA1 MET 38 HG2 0.02 0.01 -0.44 -0.04 2.63 2.18 2g6yA1 MET 38 HG3 0.04 -0.08 -0.75 -0.04 2.56 1.74 2g6yA1 MET 38 HE3 0.02 -0.05 -0.55 -0.04 2.10 1.48 2g6yA1 LYS 39 H -0.00 0.70 0.45 -0.55 8.42 9.01 2g6yA1 LYS 39 HA -0.02 0.00 1.22 -0.75 4.32 4.77 2g6yA1 LYS 39 HB2 -0.01 0.00 0.20 -0.04 1.87 2.03 2g6yA1 LYS 39 HB3 -0.01 0.00 0.09 -0.04 1.79 1.83 2g6yA1 LYS 39 HG2 -0.01 0.00 0.07 -0.04 1.46 1.48 2g6yA1 LYS 39 HG3 -0.01 -0.05 -0.11 -0.04 1.46 1.25 2g6yA1 LYS 39 HD2 -0.01 -0.00 0.02 -0.04 1.69 1.66 2g6yA1 LYS 39 HD3 -0.01 0.00 0.03 -0.04 1.68 1.66 2g6yA1 LYS 39 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2g6yA1 LYS 39 HE3 -0.01 -0.00 -0.02 -0.04 2.99 2.92 2g6yA1 SER 40 H -0.03 0.66 0.36 -0.55 8.46 8.90 2g6yA1 SER 40 HA 0.02 0.17 0.88 -0.75 4.49 4.80 2g6yA1 SER 40 HB2 -0.04 -0.05 0.16 -0.04 3.95 3.97 2g6yA1 SER 40 HB3 -0.03 -0.03 0.25 -0.04 3.93 4.08 2g6yA1 THR 41 H 0.02 0.63 0.40 -0.55 8.28 8.78 2g6yA1 THR 41 HA -0.00 0.24 1.07 -0.75 4.39 4.94 2g6yA1 THR 41 HB -0.00 0.01 0.18 -0.04 4.32 4.46 2g6yA1 THR 41 HG23 -0.00 0.02 -0.07 -0.04 1.22 1.12 2g6yA1 LYS 42 H 0.02 0.13 0.02 -0.55 8.42 8.03 2g6yA1 LYS 42 HA 0.01 0.22 0.87 -0.75 4.32 4.67 2g6yA1 LYS 42 HB2 0.06 -0.04 0.13 -0.04 1.87 1.97 2g6yA1 LYS 42 HB3 0.03 0.06 0.19 -0.04 1.79 2.03 2g6yA1 LYS 42 HG2 0.01 0.11 -0.11 -0.04 1.46 1.43 2g6yA1 LYS 42 HG3 0.02 -0.13 -0.25 -0.04 1.46 1.06 2g6yA1 LYS 42 HD2 0.02 -0.14 -0.37 -0.04 1.69 1.16 2g6yA1 LYS 42 HD3 0.02 0.07 -0.13 -0.04 1.68 1.61 2g6yA1 LYS 42 HE2 -0.02 -0.03 -0.13 -0.04 2.99 2.77 2g6yA1 LYS 42 HE3 -0.03 -0.01 -0.10 -0.04 2.99 2.81 2g6yA1 GLY 43 H -0.00 0.09 -0.25 -0.55 8.43 7.72 2g6yA1 GLY 43 HA2 -0.01 0.01 0.25 -0.51 4.01 3.75 2g6yA1 GLY 43 HA3 -0.01 0.12 0.48 -0.51 4.01 4.09 2g6yA1 ALA 44 H -0.03 0.08 0.12 -0.55 8.40 8.02 2g6yA1 ALA 44 HA -0.07 0.07 0.35 -0.75 4.34 3.94 2g6yA1 ALA 44 HB3 -0.05 -0.00 0.07 -0.04 1.41 1.39 2g6yA1 LEU 45 H -0.17 0.52 0.37 -0.55 8.37 8.55 2g6yA1 LEU 45 HA -0.23 0.08 0.57 -0.75 4.35 4.02 2g6yA1 LEU 45 HB2 -0.43 -0.03 0.16 -0.04 1.64 1.30 2g6yA1 LEU 45 HB3 -1.05 -0.09 0.02 -0.04 1.64 0.48 2g6yA1 LEU 45 HG -0.26 0.15 0.11 -0.04 1.64 1.60 2g6yA1 LEU 45 HD13 -0.54 -0.03 -0.10 -0.04 0.93 0.22 2g6yA1 LEU 45 HD23 -0.35 -0.00 -0.06 -0.04 0.89 0.45 2g6yA1 THR 46 H -0.13 0.12 0.11 -0.55 8.28 7.83 2g6yA1 THR 46 HA -0.02 0.19 0.68 -0.75 4.39 4.48 2g6yA1 THR 46 HB 0.07 0.00 0.15 -0.04 4.32 4.50 2g6yA1 THR 46 HG23 0.02 0.03 -0.01 -0.04 1.22 1.22 2g6yA1 PHE 47 H -0.58 0.14 -0.25 -0.55 8.34 7.09 2g6yA1 PHE 47 HA 0.00 0.30 0.68 -0.75 4.62 4.85 2g6yA1 PHE 47 HB2 -0.39 -0.10 -0.00 -0.04 3.15 2.62 2g6yA1 PHE 47 HB3 -0.08 0.05 -0.22 -0.04 3.06 2.77 2g6yA1 PHE 47 HD2 -0.19 0.08 -0.28 -0.04 7.28 6.85 2g6yA1 PHE 47 HE2 -0.44 0.01 -0.21 -0.04 7.38 6.70 2g6yA1 PHE 47 HZ -1.65 0.00 -0.22 -0.04 7.32 5.41 2g6yA1 SER 48 H -0.04 0.38 0.24 -0.55 8.46 8.50 2g6yA1 SER 48 HA -0.05 0.16 0.25 -0.75 4.49 4.10 2g6yA1 SER 48 HB2 -0.07 0.18 0.17 -0.04 3.95 4.18 2g6yA1 SER 48 HB3 -0.08 -0.14 0.11 -0.04 3.93 3.78 2g6yA1 PRO 49 HA -0.28 0.10 0.37 -0.51 4.44 4.12 2g6yA1 PRO 49 HB2 -0.63 -0.03 -0.09 -0.04 2.28 1.49 2g6yA1 PRO 49 HB3 -0.34 0.12 0.04 -0.04 2.02 1.80 2g6yA1 PRO 49 HG2 -0.31 -0.01 -0.07 -0.04 2.03 1.59 2g6yA1 PRO 49 HG3 -0.16 0.09 -0.26 -0.04 2.03 1.67 2g6yA1 PRO 49 HD2 -0.02 0.08 0.13 -0.04 3.68 3.84 2g6yA1 PRO 49 HD3 -0.18 0.23 0.09 -0.04 3.65 3.74 2g6yA1 TYR 50 H 0.14 0.16 -0.40 -0.55 8.29 7.64 2g6yA1 TYR 50 HA 0.35 0.07 0.27 -0.75 4.56 4.49 2g6yA1 TYR 50 HB2 0.03 0.00 -0.16 -0.04 3.06 2.88 2g6yA1 TYR 50 HB3 0.36 -0.02 -0.16 -0.04 2.98 3.11 2g6yA1 TYR 50 HD2 0.11 -0.07 -0.12 -0.04 7.15 7.04 2g6yA1 TYR 50 HE2 0.00 0.07 -0.07 -0.04 6.85 6.82 2g6yA1 LEU 51 H 0.10 0.43 -0.54 -0.55 8.37 7.81 2g6yA1 LEU 51 HA 0.22 0.03 0.28 -0.75 4.35 4.13 2g6yA1 LEU 51 HB2 -0.07 -0.04 -0.02 -0.04 1.64 1.46 2g6yA1 LEU 51 HB3 0.14 0.12 -0.14 -0.04 1.64 1.71 2g6yA1 LEU 51 HG -0.01 0.02 -0.15 -0.04 1.64 1.46 2g6yA1 LEU 51 HD13 -0.21 -0.02 -0.10 -0.04 0.93 0.56 2g6yA1 LEU 51 HD23 -0.72 -0.01 -0.14 -0.04 0.89 -0.02 2g6yA1 LEU 52 H 0.14 0.52 -0.50 -0.55 8.37 7.98 2g6yA1 LEU 52 HA 0.29 0.18 0.62 -0.75 4.35 4.68 2g6yA1 LEU 52 HB2 -0.01 0.16 -0.08 -0.04 1.64 1.67 2g6yA1 LEU 52 HB3 0.13 -0.06 -0.08 -0.04 1.64 1.59 2g6yA1 LEU 52 HG 0.19 -0.02 -0.27 -0.04 1.64 1.50 2g6yA1 LEU 52 HD13 -0.07 0.00 -0.20 -0.04 0.93 0.63 2g6yA1 LEU 52 HD23 0.14 0.02 -0.29 -0.04 0.89 0.72 2g6yA1 SER 53 H 0.32 0.35 -0.34 -0.55 8.46 8.24 2g6yA1 SER 53 HA 0.27 0.05 0.13 -0.75 4.49 4.19 2g6yA1 SER 53 HB2 0.30 0.04 -0.04 -0.04 3.95 4.21 2g6yA1 SER 53 HB3 0.26 0.03 -0.13 -0.04 3.93 4.05 2g6yA1 HIS 54 H 0.58 0.15 -0.39 -0.55 8.41 8.21 2g6yA1 HIS 54 HA 0.17 0.18 0.35 -0.75 4.63 4.58 2g6yA1 HIS 54 HB2 0.20 0.03 -0.06 -0.04 3.26 3.39 2g6yA1 HIS 54 HB3 0.16 -0.01 -0.13 -0.04 3.20 3.18 2g6yA1 HIS 54 HD2 0.31 -0.01 -0.21 -0.04 6.97 7.02 2g6yA1 HIS 54 HE1 0.29 0.12 -0.11 -0.04 7.75 8.00 2g6yA1 VAL 55 H 0.31 0.25 -0.69 -0.55 8.24 7.56 2g6yA1 VAL 55 HA 0.22 0.13 0.61 -0.75 4.13 4.33 2g6yA1 VAL 55 HB 0.20 0.07 -0.07 -0.04 2.12 2.28 2g6yA1 VAL 55 HG13 0.06 -0.01 -0.23 -0.04 0.97 0.75 2g6yA1 VAL 55 HG23 -0.01 -0.01 -0.21 -0.04 0.95 0.67 2g6yA1 MET 56 H 0.26 0.52 -0.16 -0.55 8.47 8.55 2g6yA1 MET 56 HA 0.38 0.03 0.16 -0.75 4.52 4.34 2g6yA1 MET 56 HB2 0.22 0.16 -0.05 -0.04 2.15 2.44 2g6yA1 MET 56 HB3 0.21 -0.04 -0.14 -0.04 2.03 2.02 2g6yA1 MET 56 HG2 0.16 -0.06 -0.24 -0.04 2.63 2.45 2g6yA1 MET 56 HG3 0.18 0.15 -0.17 -0.04 2.56 2.67 2g6yA1 MET 56 HE3 0.10 0.02 -0.32 -0.04 2.10 1.86 2g6yA1 PHE 60 HA 0.28 -0.08 0.10 -0.75 4.62 4.16 2g6yA1 PHE 60 HB2 0.43 0.05 0.02 -0.04 3.15 3.60 2g6yA1 PHE 60 HB3 0.68 -0.10 -0.05 -0.04 3.06 3.54 2g6yA1 PHE 60 HD2 0.31 0.02 0.76 -0.04 7.28 8.32 2g6yA1 PHE 60 HE2 0.31 0.02 -0.17 -0.04 7.38 7.50 2g6yA1 PHE 60 HZ 0.01 0.01 -0.02 -0.04 7.32 7.28 2g6yA1 TYR 61 H -0.27 0.15 -0.05 -0.55 8.29 7.56 2g6yA1 TYR 61 HA -0.07 0.18 0.16 -0.75 4.56 4.08 2g6yA1 TYR 61 HB2 -1.04 -0.04 -0.10 -0.04 3.06 1.84 2g6yA1 TYR 61 HB3 -0.87 -0.02 -0.05 -0.04 2.98 2.01 2g6yA1 TYR 61 HD2 -0.87 0.01 -0.22 -0.04 7.15 6.02 2g6yA1 TYR 61 HE2 -0.22 0.02 -0.17 -0.04 6.85 6.43 2g6yA1 HIS 62 H 0.15 0.08 -0.68 -0.55 8.41 7.41 2g6yA1 HIS 62 HA 0.05 -0.13 0.23 -0.75 4.63 4.03 2g6yA1 HIS 62 HB2 -0.82 0.08 -0.24 -0.04 3.26 2.25 2g6yA1 HIS 62 HB3 -0.31 0.01 -0.08 -0.04 3.20 2.78 2g6yA1 HIS 62 HD2 0.00 0.11 -0.17 -0.04 6.97 6.86 2g6yA1 HIS 62 HE1 -1.20 0.03 -0.13 -0.04 7.75 6.40 2g6yA1 PHE 63 H 0.31 0.41 -0.61 -0.55 8.34 7.91 2g6yA1 PHE 63 HA 0.13 0.06 0.41 -0.75 4.62 4.47 2g6yA1 PHE 63 HB2 0.12 0.14 -0.15 -0.04 3.15 3.21 2g6yA1 PHE 63 HB3 0.06 0.01 -0.18 -0.04 3.06 2.91 2g6yA1 PHE 63 HD2 0.15 0.10 -0.24 -0.04 7.28 7.25 2g6yA1 PHE 63 HE2 -0.04 0.02 -0.12 -0.04 7.38 7.20 2g6yA1 PHE 63 HZ -0.07 0.02 -0.17 -0.04 7.32 7.05 2g6yA1 GLY 64 H 0.19 0.23 -0.51 -0.55 8.43 7.80 2g6yA1 GLY 64 HA2 0.11 0.33 1.08 -0.51 4.01 5.02 2g6yA1 GLY 64 HA3 0.16 -0.05 0.19 -0.51 4.01 3.80 2g6yA1 THR 65 H 0.13 0.51 0.36 -0.55 8.28 8.74 2g6yA1 THR 65 HA 0.22 0.13 0.73 -0.75 4.39 4.71 2g6yA1 THR 65 HB 0.19 0.05 0.08 -0.04 4.32 4.60 2g6yA1 THR 65 HG23 0.24 0.02 -0.15 -0.04 1.22 1.29 2g6yA1 TYR 66 H 0.26 0.21 0.20 -0.55 8.29 8.42 2g6yA1 TYR 66 HA 0.03 0.17 0.72 -0.75 4.56 4.72 2g6yA1 TYR 66 HB2 0.03 -0.10 -0.15 -0.04 3.06 2.80 2g6yA1 TYR 66 HB3 0.04 0.07 -0.23 -0.04 2.98 2.82 2g6yA1 TYR 66 HD2 -0.02 0.05 -0.46 -0.04 7.15 6.67 2g6yA1 TYR 66 HE2 -0.01 0.00 -0.11 -0.04 6.85 6.69 2g6yA1 PRO 67 HA 0.09 0.08 0.46 -0.51 4.44 4.55 2g6yA1 PRO 67 HB2 0.16 0.13 -0.02 -0.04 2.28 2.51 2g6yA1 PRO 67 HB3 0.05 0.01 0.18 -0.04 2.02 2.21 2g6yA1 PRO 67 HG2 -0.43 0.01 0.02 -0.04 2.03 1.59 2g6yA1 PRO 67 HG3 -0.08 0.04 0.14 -0.04 2.03 2.09 2g6yA1 PRO 67 HD2 -0.13 0.04 0.03 -0.04 3.68 3.57 2g6yA1 PRO 67 HD3 -0.25 0.23 -0.04 -0.04 3.65 3.55 2g6yA1 SER 68 H 0.10 0.09 0.18 -0.55 8.46 8.29 2g6yA1 SER 68 HA 0.09 0.03 0.52 -0.75 4.49 4.37 2g6yA1 SER 68 HB2 0.08 0.00 0.13 -0.04 3.95 4.13 2g6yA1 SER 68 HB3 0.05 0.02 0.05 -0.04 3.93 4.02 2g6yA1 GLY 69 H 0.06 0.13 0.20 -0.55 8.43 8.27 2g6yA1 GLY 69 HA2 -0.02 -0.03 0.33 -0.51 4.01 3.78 2g6yA1 GLY 69 HA3 -0.06 0.12 0.48 -0.51 4.01 4.04 2g6yA1 TYR 70 H 0.24 0.55 -0.33 -0.55 8.29 8.21 2g6yA1 TYR 70 HA -0.01 0.10 0.80 -0.75 4.56 4.69 2g6yA1 TYR 70 HB2 0.13 0.15 -0.12 -0.04 3.06 3.17 2g6yA1 TYR 70 HB3 0.11 -0.06 -0.15 -0.04 2.98 2.84 2g6yA1 TYR 70 HD2 0.04 0.03 -0.28 -0.04 7.15 6.90 2g6yA1 TYR 70 HE2 0.01 0.06 -0.02 -0.04 6.85 6.86 2g6yA1 GLU 71 H -0.18 0.13 0.06 -0.55 8.60 8.06 2g6yA1 GLU 71 HA -0.19 0.22 0.88 -0.75 4.29 4.45 2g6yA1 GLU 71 HB2 -1.57 -0.10 0.01 -0.04 2.09 0.38 2g6yA1 GLU 71 HB3 -0.62 0.05 -0.13 -0.04 1.99 1.25 2g6yA1 GLU 71 HG2 -0.27 0.02 -0.23 -0.04 2.34 1.82 2g6yA1 GLU 71 HG3 -0.39 -0.01 -0.06 -0.04 2.34 1.84 2g6yA1 ASN 72 H -0.27 0.21 0.05 -0.55 8.53 7.98 2g6yA1 ASN 72 HA -1.50 0.15 0.51 -0.75 4.76 3.17 2g6yA1 ASN 72 HB2 -0.10 0.22 0.09 -0.04 2.88 3.05 2g6yA1 ASN 72 HB3 -0.13 -0.05 0.19 -0.04 2.79 2.76 2g6yA1 ASN 72 HD21 0.24 0.38 0.06 -0.04 7.03 7.67 2g6yA1 ASN 72 HD22 0.23 0.51 0.06 -0.04 7.74 8.49 2g6yA1 PRO 73 HA -0.26 0.08 0.34 -0.51 4.44 4.08 2g6yA1 PRO 73 HB2 -0.69 0.04 -0.05 -0.04 2.28 1.54 2g6yA1 PRO 73 HB3 -0.45 0.03 0.10 -0.04 2.02 1.66 2g6yA1 PRO 73 HG2 -1.58 -0.01 -0.02 -0.04 2.03 0.38 2g6yA1 PRO 73 HG3 -0.56 0.10 0.01 -0.04 2.03 1.54 2g6yA1 PRO 73 HD2 -0.73 0.09 0.16 -0.04 3.68 3.17 2g6yA1 PRO 73 HD3 -0.78 0.32 0.24 -0.04 3.65 3.39 2g6yA1 PHE 74 H -0.46 0.18 -0.26 -0.55 8.34 7.24 2g6yA1 PHE 74 HA -0.29 0.12 0.37 -0.75 4.62 4.06 2g6yA1 PHE 74 HB2 -0.23 0.07 -0.32 -0.04 3.15 2.64 2g6yA1 PHE 74 HB3 -0.58 -0.02 -0.22 -0.04 3.06 2.20 2g6yA1 PHE 74 HD2 -0.96 0.07 -0.15 -0.04 7.28 6.19 2g6yA1 PHE 74 HE2 -0.05 0.04 -0.13 -0.04 7.38 7.20 2g6yA1 PHE 74 HZ 0.05 0.03 -0.14 -0.04 7.32 7.22 2g6yA1 LEU 75 H 0.03 0.13 -0.20 -0.55 8.37 7.77 2g6yA1 LEU 75 HA 0.07 0.04 0.50 -0.75 4.35 4.20 2g6yA1 LEU 75 HB2 -0.00 0.18 0.19 -0.04 1.64 1.97 2g6yA1 LEU 75 HB3 -0.04 0.07 0.09 -0.04 1.64 1.72 2g6yA1 LEU 75 HG -0.03 -0.02 -0.12 -0.04 1.64 1.44 2g6yA1 LEU 75 HD13 -0.09 0.01 0.03 -0.04 0.93 0.85 2g6yA1 LEU 75 HD23 -0.01 0.03 0.04 -0.04 0.89 0.90 2g6yA1 HIS 76 H 0.00 0.45 -0.29 -0.55 8.41 8.03 2g6yA1 HIS 76 HA -0.06 0.06 0.33 -0.75 4.63 4.21 2g6yA1 HIS 76 HB2 -0.18 0.03 0.01 -0.04 3.26 3.09 2g6yA1 HIS 76 HB3 -0.10 0.02 0.06 -0.04 3.20 3.13 2g6yA1 HIS 76 HD2 0.02 0.04 -0.16 -0.04 6.97 6.82 2g6yA1 HIS 76 HE1 0.06 0.02 -0.02 -0.04 7.75 7.77 2g6yA1 ALA 77 H 0.08 0.38 -0.41 -0.55 8.40 7.90 2g6yA1 ALA 77 HA -0.01 0.05 0.31 -0.75 4.34 3.94 2g6yA1 ALA 77 HB3 0.30 0.03 0.00 -0.04 1.41 1.70 2g6yA1 ILE 78 H -0.13 0.46 -0.63 -0.55 8.25 7.40 2g6yA1 ILE 78 HA -0.65 -0.03 0.31 -0.75 4.18 3.05 2g6yA1 ILE 78 HB -0.25 0.14 0.09 -0.04 1.89 1.83 2g6yA1 ILE 78 HG12 -1.33 -0.09 0.01 -0.04 1.49 0.04 2g6yA1 ILE 78 HG13 -0.19 0.14 0.09 -0.04 1.21 1.22 2g6yA1 ILE 78 HG23 -0.39 -0.02 -0.10 -0.04 0.93 0.37 2g6yA1 ILE 78 HD13 -0.17 -0.02 0.01 -0.04 0.88 0.67 2g6yA1 ASN 79 H -0.19 0.36 -0.30 -0.55 8.53 7.85 2g6yA1 ASN 79 HA -0.06 0.18 0.73 -0.75 4.76 4.86 2g6yA1 ASN 79 HB2 -0.16 0.07 0.05 -0.04 2.88 2.80 2g6yA1 ASN 79 HB3 -0.07 -0.00 0.14 -0.04 2.79 2.82 2g6yA1 ASN 79 HD21 -0.07 -0.02 -0.02 -0.04 7.03 6.89 2g6yA1 ASN 79 HD22 -0.12 0.06 0.02 -0.04 7.74 7.66 2g6yA1 ASN 80 H -0.06 0.34 -0.25 -0.55 8.53 8.01 2g6yA1 ASN 80 HA -0.01 0.26 0.96 -0.75 4.76 5.22 2g6yA1 ASN 80 HB2 0.00 -0.03 0.17 -0.04 2.88 2.98 2g6yA1 ASN 80 HB3 -0.05 0.06 -0.13 -0.04 2.79 2.63 2g6yA1 ASN 80 HD21 0.00 -0.00 -0.15 -0.04 7.03 6.84 2g6yA1 ASN 80 HD22 -0.04 0.01 -0.08 -0.04 7.74 7.58 2g6yA1 GLY 81 H 0.04 0.24 -0.09 -0.55 8.43 8.08 2g6yA1 GLY 81 HA2 0.08 0.03 0.29 -0.51 4.01 3.90 2g6yA1 GLY 81 HA3 0.07 0.13 0.71 -0.51 4.01 4.42 2g6yA1 GLY 82 H 0.10 0.34 -0.02 -0.55 8.43 8.31 2g6yA1 GLY 82 HA2 0.22 0.01 0.15 -0.51 4.01 3.88 2g6yA1 GLY 82 HA3 0.24 0.08 0.36 -0.51 4.01 4.19 2g6yA1 TYR 83 H -0.05 0.26 0.24 -0.55 8.29 8.19 2g6yA1 TYR 83 HA -0.16 0.28 0.89 -0.75 4.56 4.81 2g6yA1 TYR 83 HB2 -0.79 0.07 -0.10 -0.04 3.06 2.20 2g6yA1 TYR 83 HB3 -1.14 -0.02 -0.25 -0.04 2.98 1.54 2g6yA1 TYR 83 HD2 -0.11 0.09 -0.29 -0.04 7.15 6.80 2g6yA1 TYR 83 HE2 -0.35 0.03 -0.18 -0.04 6.85 6.31 2g6yA1 THR 84 H 0.09 0.54 0.40 -0.55 8.28 8.76 2g6yA1 THR 84 HA -0.03 0.24 1.08 -0.75 4.39 4.93 2g6yA1 THR 84 HB 0.05 0.06 0.18 -0.04 4.32 4.57 2g6yA1 THR 84 HG23 0.04 -0.01 0.03 -0.04 1.22 1.25 2g6yA1 ASN 85 H 0.09 0.47 0.37 -0.55 8.53 8.92 2g6yA1 ASN 85 HA 0.15 0.24 1.03 -0.75 4.76 5.42 2g6yA1 ASN 85 HB2 -0.00 -0.02 -0.11 -0.04 2.88 2.70 2g6yA1 ASN 85 HB3 -0.13 -0.04 0.06 -0.04 2.79 2.64 2g6yA1 ASN 85 HD21 -0.10 -0.01 -0.18 -0.04 7.03 6.69 2g6yA1 ASN 85 HD22 -0.95 0.01 -0.15 -0.04 7.74 6.61 2g6yA1 THR 86 H 0.12 0.50 0.36 -0.55 8.28 8.71 2g6yA1 THR 86 HA -0.01 0.28 1.11 -0.75 4.39 5.01 2g6yA1 THR 86 HB 0.11 -0.04 0.18 -0.04 4.32 4.53 2g6yA1 THR 86 HG23 -0.09 0.01 -0.05 -0.04 1.22 1.05 2g6yA1 ARG 87 H -0.17 0.67 0.42 -0.55 8.46 8.83 2g6yA1 ARG 87 HA -0.08 0.28 1.07 -0.75 4.34 4.85 2g6yA1 ARG 87 HB2 0.04 -0.04 0.00 -0.04 1.90 1.86 2g6yA1 ARG 87 HB3 -0.01 -0.00 -0.15 -0.04 1.80 1.61 2g6yA1 ARG 87 HG2 0.06 -0.03 -0.32 -0.04 1.67 1.33 2g6yA1 ARG 87 HG3 0.22 0.01 -0.25 -0.04 1.67 1.61 2g6yA1 ARG 87 HD2 0.08 -0.02 -0.25 -0.04 3.22 2.99 2g6yA1 ARG 87 HD3 0.15 0.01 -0.21 -0.04 3.22 3.12 2g6yA1 ILE 88 H -0.11 0.73 0.44 -0.55 8.25 8.76 2g6yA1 ILE 88 HA -0.00 0.24 1.08 -0.75 4.18 4.75 2g6yA1 ILE 88 HB -0.06 -0.01 0.23 -0.04 1.89 2.00 2g6yA1 ILE 88 HG12 -0.03 -0.02 -0.15 -0.04 1.49 1.25 2g6yA1 ILE 88 HG13 0.05 0.01 -0.00 -0.04 1.21 1.22 2g6yA1 ILE 88 HG23 0.01 -0.01 -0.09 -0.04 0.93 0.80 2g6yA1 ILE 88 HD13 0.31 0.03 0.07 -0.04 0.88 1.25 2g6yA1 GLU 89 H 0.05 0.72 0.36 -0.55 8.60 9.19 2g6yA1 GLU 89 HA -0.13 0.30 1.09 -0.75 4.29 4.79 2g6yA1 GLU 89 HB2 0.28 -0.12 0.12 -0.04 2.09 2.33 2g6yA1 GLU 89 HB3 -0.07 -0.02 -0.07 -0.04 1.99 1.78 2g6yA1 GLU 89 HG2 -0.01 0.01 -0.34 -0.04 2.34 1.97 2g6yA1 GLU 89 HG3 0.07 0.12 -0.23 -0.04 2.34 2.26 2g6yA1 LYS 90 H -0.20 0.67 0.38 -0.55 8.42 8.72 2g6yA1 LYS 90 HA -0.03 0.00 1.08 -0.75 4.32 4.61 2g6yA1 LYS 90 HB2 -0.11 -0.06 0.22 -0.04 1.87 1.88 2g6yA1 LYS 90 HB3 -0.07 0.00 0.02 -0.04 1.79 1.70 2g6yA1 LYS 90 HG2 -0.03 0.07 -0.04 -0.04 1.46 1.42 2g6yA1 LYS 90 HG3 -0.05 -0.05 -0.18 -0.04 1.46 1.14 2g6yA1 LYS 90 HD2 -0.05 -0.03 -0.01 -0.04 1.69 1.55 2g6yA1 LYS 90 HD3 -0.04 0.03 -0.02 -0.04 1.68 1.61 2g6yA1 LYS 90 HE2 -0.03 -0.01 -0.05 -0.04 2.99 2.86 2g6yA1 LYS 90 HE3 -0.02 0.01 -0.03 -0.04 2.99 2.91 2g6yA1 TYR 91 H 0.11 0.82 0.27 -0.55 8.29 8.94 2g6yA1 TYR 91 HA -0.12 0.17 0.77 -0.75 4.56 4.62 2g6yA1 TYR 91 HB2 -0.09 0.03 0.10 -0.04 3.06 3.05 2g6yA1 TYR 91 HB3 -0.01 -0.12 0.08 -0.04 2.98 2.89 2g6yA1 TYR 91 HD2 -0.16 0.10 -0.21 -0.04 7.15 6.84 2g6yA1 TYR 91 HE2 0.32 0.02 -0.19 -0.04 6.85 6.96 2g6yA1 GLU 92 H -0.12 0.50 0.36 -0.55 8.60 8.80 2g6yA1 GLU 92 HA 0.00 0.15 0.31 -0.75 4.29 4.00 2g6yA1 GLU 92 HB2 0.05 0.08 0.16 -0.04 2.09 2.33 2g6yA1 GLU 92 HB3 -0.02 0.00 0.16 -0.04 1.99 2.09 2g6yA1 GLU 92 HG2 -0.05 -0.07 0.26 -0.04 2.34 2.44 2g6yA1 GLU 92 HG3 0.24 0.03 -0.03 -0.04 2.34 2.54 2g6yA1 ASP 93 H 0.23 -0.04 -0.26 -0.55 8.40 7.78 2g6yA1 ASP 93 HA 0.10 0.29 0.90 -0.75 4.63 5.16 2g6yA1 ASP 93 HB2 0.13 0.07 0.21 -0.04 2.71 3.08 2g6yA1 ASP 93 HB3 0.22 -0.01 0.09 -0.04 2.70 2.96 2g6yA1 GLY 94 H 0.02 0.50 -0.23 -0.55 8.43 8.18 2g6yA1 GLY 94 HA2 -0.04 0.03 0.31 -0.51 4.01 3.80 2g6yA1 GLY 94 HA3 -0.03 0.18 0.66 -0.51 4.01 4.31 2g6yA1 GLY 95 H -0.22 -0.14 -0.26 -0.55 8.43 7.26 2g6yA1 GLY 95 HA2 -0.75 0.20 0.23 -0.51 4.01 3.19 2g6yA1 GLY 95 HA3 -2.17 -0.13 0.18 -0.51 4.01 1.38 2g6yA1 VAL 96 H -0.38 0.60 0.40 -0.55 8.24 8.31 2g6yA1 VAL 96 HA 0.07 0.28 1.13 -0.75 4.13 4.85 2g6yA1 VAL 96 HB -0.01 -0.05 0.16 -0.04 2.12 2.18 2g6yA1 VAL 96 HG13 0.06 -0.01 -0.14 -0.04 0.97 0.83 2g6yA1 VAL 96 HG23 -0.04 0.04 -0.11 -0.04 0.95 0.79 2g6yA1 LEU 97 H 0.26 0.60 0.37 -0.55 8.37 9.06 2g6yA1 LEU 97 HA 0.20 0.22 1.02 -0.75 4.35 5.04 2g6yA1 LEU 97 HB2 0.50 -0.05 0.05 -0.04 1.64 2.09 2g6yA1 LEU 97 HB3 0.24 -0.00 -0.07 -0.04 1.64 1.77 2g6yA1 LEU 97 HG 0.15 0.03 -0.15 -0.04 1.64 1.63 2g6yA1 LEU 97 HD13 0.15 -0.01 -0.06 -0.04 0.93 0.97 2g6yA1 LEU 97 HD23 0.27 -0.01 -0.16 -0.04 0.89 0.96 2g6yA1 HIS 98 H 0.18 0.76 0.34 -0.55 8.41 9.14 2g6yA1 HIS 98 HA 0.02 0.30 1.13 -0.75 4.63 5.32 2g6yA1 HIS 98 HB2 0.01 -0.02 0.11 -0.04 3.26 3.32 2g6yA1 HIS 98 HB3 0.01 -0.02 0.26 -0.04 3.20 3.41 2g6yA1 HIS 98 HD2 -0.03 -0.07 -0.22 -0.04 6.97 6.61 2g6yA1 HIS 98 HE1 0.01 -0.00 -0.06 -0.04 7.75 7.66 2g6yA1 VAL 99 H -0.35 0.67 0.36 -0.55 8.24 8.37 2g6yA1 VAL 99 HA -0.20 0.36 1.26 -0.75 4.13 4.80 2g6yA1 VAL 99 HB -0.15 -0.06 0.01 -0.04 2.12 1.88 2g6yA1 VAL 99 HG13 -0.79 0.01 -0.19 -0.04 0.97 -0.04 2g6yA1 VAL 99 HG23 -0.04 -0.01 -0.31 -0.04 0.95 0.55 2g6yA1 SER 100 H -0.30 0.58 0.43 -0.55 8.46 8.63 2g6yA1 SER 100 HA -0.16 0.27 1.21 -0.75 4.49 5.06 2g6yA1 SER 100 HB2 -0.05 0.06 0.15 -0.04 3.95 4.07 2g6yA1 SER 100 HB3 -0.04 -0.01 0.03 -0.04 3.93 3.86 2g6yA1 PHE 101 H 0.03 0.81 0.44 -0.55 8.34 9.07 2g6yA1 PHE 101 HA -0.32 0.15 1.03 -0.75 4.62 4.73 2g6yA1 PHE 101 HB2 -0.32 -0.11 0.19 -0.04 3.15 2.87 2g6yA1 PHE 101 HB3 -0.86 0.03 -0.02 -0.04 3.06 2.17 2g6yA1 PHE 101 HD2 -1.55 0.07 -0.16 -0.04 7.28 5.60 2g6yA1 PHE 101 HE2 -0.49 0.12 -0.14 -0.04 7.38 6.83 2g6yA1 PHE 101 HZ -0.32 0.05 -0.11 -0.04 7.32 6.90 2g6yA1 SER 102 H -0.11 0.43 0.32 -0.55 8.46 8.56 2g6yA1 SER 102 HA -0.18 0.19 0.91 -0.75 4.49 4.65 2g6yA1 SER 102 HB2 -0.08 0.00 0.18 -0.04 3.95 4.01 2g6yA1 SER 102 HB3 -0.08 -0.01 0.01 -0.04 3.93 3.82 2g6yA1 TYR 103 H -0.05 0.34 0.29 -0.55 8.29 8.32 2g6yA1 TYR 103 HA -0.09 0.34 1.20 -0.75 4.56 5.26 2g6yA1 TYR 103 HB2 -0.25 0.01 0.01 -0.04 3.06 2.79 2g6yA1 TYR 103 HB3 -0.41 0.00 -0.01 -0.04 2.98 2.52 2g6yA1 TYR 103 HD2 -0.09 0.11 -0.10 -0.04 7.15 7.02 2g6yA1 TYR 103 HE2 -0.46 0.04 -0.17 -0.04 6.85 6.22 2g6yA1 ARG 104 H -0.17 0.55 0.43 -0.55 8.46 8.72 2g6yA1 ARG 104 HA -0.23 0.17 0.75 -0.75 4.34 4.28 2g6yA1 ARG 104 HB2 -0.08 0.03 -0.02 -0.04 1.90 1.79 2g6yA1 ARG 104 HB3 -0.08 -0.06 0.07 -0.04 1.80 1.68 2g6yA1 ARG 104 HG2 -0.03 0.05 -0.12 -0.04 1.67 1.53 2g6yA1 ARG 104 HG3 -0.03 0.02 0.14 -0.04 1.67 1.76 2g6yA1 ARG 104 HD2 -0.01 0.03 -0.00 -0.04 3.22 3.20 2g6yA1 ARG 104 HD3 -0.03 -0.01 -0.02 -0.04 3.22 3.13 2g6yA1 TYR 105 H 0.00 0.25 0.20 -0.55 8.29 8.20 2g6yA1 TYR 105 HA 0.04 0.18 1.08 -0.75 4.56 5.11 2g6yA1 TYR 105 HB2 0.03 0.04 0.09 -0.04 3.06 3.18 2g6yA1 TYR 105 HB3 0.02 0.08 0.10 -0.04 2.98 3.14 2g6yA1 TYR 105 HD2 0.02 0.07 0.04 -0.04 7.15 7.24 2g6yA1 TYR 105 HE2 -0.07 -0.02 -0.08 -0.04 6.85 6.64 2g6yA1 GLU 106 H 0.13 0.55 0.30 -0.55 8.60 9.03 2g6yA1 GLU 106 HA 0.07 0.14 0.62 -0.75 4.29 4.37 2g6yA1 GLU 106 HB2 0.05 -0.00 -0.05 -0.04 2.09 2.04 2g6yA1 GLU 106 HB3 0.04 0.01 0.11 -0.04 1.99 2.10 2g6yA1 GLU 106 HG2 0.03 0.05 0.01 -0.04 2.34 2.40 2g6yA1 GLU 106 HG3 0.04 -0.09 -0.55 -0.04 2.34 1.70 2g6yA1 ALA 107 H 0.04 0.14 0.13 -0.55 8.40 8.16 2g6yA1 ALA 107 HA 0.04 0.01 0.53 -0.75 4.34 4.17 2g6yA1 ALA 107 HB3 0.03 0.02 0.13 -0.04 1.41 1.55 2g6yA1 GLY 108 H 0.04 0.11 0.28 -0.55 8.43 8.31 2g6yA1 GLY 108 HA2 0.05 0.01 0.42 -0.51 4.01 3.98 2g6yA1 GLY 108 HA3 0.04 0.10 0.43 -0.51 4.01 4.07 2g6yA1 ARG 109 H 0.08 0.48 -0.07 -0.55 8.46 8.39 2g6yA1 ARG 109 HA 0.06 0.27 0.97 -0.75 4.34 4.89 2g6yA1 ARG 109 HB2 0.03 0.12 -0.33 -0.04 1.90 1.68 2g6yA1 ARG 109 HB3 0.05 -0.12 -0.14 -0.04 1.80 1.55 2g6yA1 ARG 109 HG2 0.03 -0.10 -0.38 -0.04 1.67 1.18 2g6yA1 ARG 109 HG3 0.02 0.03 -0.14 -0.04 1.67 1.53 2g6yA1 ARG 109 HD2 0.02 -0.04 -0.15 -0.04 3.22 3.01 2g6yA1 ARG 109 HD3 0.01 -0.03 -0.14 -0.04 3.22 3.01 2g6yA1 VAL 110 H 0.08 0.73 0.38 -0.55 8.24 8.87 2g6yA1 VAL 110 HA 0.12 0.00 1.00 -0.75 4.13 4.50 2g6yA1 VAL 110 HB 0.15 0.00 0.03 -0.04 2.12 2.26 2g6yA1 VAL 110 HG13 0.14 0.00 0.04 -0.04 0.97 1.11 2g6yA1 VAL 110 HG23 0.14 0.02 -0.12 -0.04 0.95 0.95 2g6yA1 ILE 111 H -0.00 0.71 0.34 -0.55 8.25 8.75 2g6yA1 ILE 111 HA 0.06 0.00 1.05 -0.75 4.18 4.54 2g6yA1 ILE 111 HB -0.04 0.00 0.13 -0.04 1.89 1.94 2g6yA1 ILE 111 HG12 -0.00 0.00 -0.15 -0.04 1.49 1.30 2g6yA1 ILE 111 HG13 0.01 0.00 -0.44 -0.04 1.21 0.74 2g6yA1 ILE 111 HG23 -0.04 -0.00 -0.15 -0.04 0.93 0.70 2g6yA1 ILE 111 HD13 -0.01 0.01 -0.17 -0.04 0.88 0.67 2g6yA1 GLY 112 H 0.13 0.79 0.42 -0.55 8.43 9.23 2g6yA1 GLY 112 HA2 -0.16 0.28 1.09 -0.51 4.01 4.71 2g6yA1 GLY 112 HA3 -0.36 0.03 0.36 -0.51 4.01 3.54 2g6yA1 ASP 113 H -0.27 0.65 0.33 -0.55 8.40 8.56 2g6yA1 ASP 113 HA -0.31 0.13 1.02 -0.75 4.63 4.71 2g6yA1 ASP 113 HB2 -0.14 -0.01 -0.09 -0.04 2.71 2.43 2g6yA1 ASP 113 HB3 -0.12 -0.03 0.15 -0.04 2.70 2.66 2g6yA1 PHE 114 H -0.21 0.72 0.40 -0.55 8.34 8.70 2g6yA1 PHE 114 HA -0.33 0.27 1.09 -0.75 4.62 4.90 2g6yA1 PHE 114 HB2 -0.18 -0.07 0.08 -0.04 3.15 2.94 2g6yA1 PHE 114 HB3 -0.55 0.03 0.01 -0.04 3.06 2.51 2g6yA1 PHE 114 HD2 -0.17 0.01 -0.33 -0.04 7.28 6.75 2g6yA1 PHE 114 HE2 -0.50 0.11 -0.11 -0.04 7.38 6.84 2g6yA1 PHE 114 HZ -1.25 0.00 -0.18 -0.04 7.32 5.86 2g6yA1 LYS 115 H -0.20 0.62 0.45 -0.55 8.42 8.74 2g6yA1 LYS 115 HA -0.09 0.00 1.16 -0.75 4.32 4.64 2g6yA1 LYS 115 HB2 -0.07 0.00 0.20 -0.04 1.87 1.96 2g6yA1 LYS 115 HB3 -0.06 0.00 0.04 -0.04 1.79 1.73 2g6yA1 LYS 115 HG2 -0.07 0.00 -0.19 -0.04 1.46 1.16 2g6yA1 LYS 115 HG3 -0.07 0.02 -0.10 -0.04 1.46 1.27 2g6yA1 LYS 115 HD2 -0.03 0.00 -0.03 -0.04 1.69 1.59 2g6yA1 LYS 115 HD3 -0.05 0.01 -0.04 -0.04 1.68 1.56 2g6yA1 LYS 115 HE2 -0.04 -0.00 -0.06 -0.04 2.99 2.85 2g6yA1 LYS 115 HE3 -0.04 0.00 -0.05 -0.04 2.99 2.86 2g6yA1 VAL 116 H -0.10 0.67 0.48 -0.55 8.24 8.74 2g6yA1 VAL 116 HA -0.02 0.33 1.23 -0.75 4.13 4.92 2g6yA1 VAL 116 HB 0.17 -0.04 0.01 -0.04 2.12 2.21 2g6yA1 VAL 116 HG13 0.18 -0.01 -0.26 -0.04 0.97 0.83 2g6yA1 VAL 116 HG23 0.07 -0.00 -0.26 -0.04 0.95 0.72 2g6yA1 MET 117 H 0.09 0.74 0.36 -0.55 8.47 9.12 2g6yA1 MET 117 HA 0.05 0.18 1.09 -0.75 4.52 5.08 2g6yA1 MET 117 HB2 0.02 0.02 0.00 -0.04 2.15 2.15 2g6yA1 MET 117 HB3 0.07 -0.01 0.20 -0.04 2.03 2.24 2g6yA1 MET 117 HG2 0.04 -0.05 -0.24 -0.04 2.63 2.34 2g6yA1 MET 117 HG3 0.03 0.02 0.01 -0.04 2.56 2.59 2g6yA1 MET 117 HE3 -0.02 0.00 -0.02 -0.04 2.10 2.02 2g6yA1 GLY 118 H 0.11 0.76 0.38 -0.55 8.43 9.14 2g6yA1 GLY 118 HA2 0.20 0.40 1.25 -0.51 4.01 5.36 2g6yA1 GLY 118 HA3 0.16 -0.06 0.45 -0.51 4.01 4.06 2g6yA1 THR 119 H 0.15 0.70 0.46 -0.55 8.28 9.03 2g6yA1 THR 119 HA 0.15 0.02 0.93 -0.75 4.39 4.73 2g6yA1 THR 119 HB 0.05 0.02 0.10 -0.04 4.32 4.45 2g6yA1 THR 119 HG23 0.05 -0.00 -0.26 -0.04 1.22 0.97 2g6yA1 GLY 120 H 0.10 0.18 0.17 -0.55 8.43 8.33 2g6yA1 GLY 120 HA2 0.02 0.07 0.28 -0.51 4.01 3.87 2g6yA1 GLY 120 HA3 -0.06 0.19 0.26 -0.51 4.01 3.89 2g6yA1 PHE 121 H 0.32 -0.02 -0.33 -0.55 8.34 7.76 2g6yA1 PHE 121 HA 0.05 0.10 0.60 -0.75 4.62 4.62 2g6yA1 PHE 121 HB2 0.09 0.00 -0.00 -0.04 3.15 3.20 2g6yA1 PHE 121 HB3 -0.10 0.03 -0.05 -0.04 3.06 2.90 2g6yA1 PHE 121 HD2 -0.09 -0.06 -0.13 -0.04 7.28 6.97 2g6yA1 PHE 121 HE2 -0.33 0.01 -0.10 -0.04 7.38 6.91 2g6yA1 PHE 121 HZ -0.48 0.04 -0.26 -0.04 7.32 6.57 2g6yA1 PRO 122 HA 0.13 0.14 0.41 -0.51 4.44 4.62 2g6yA1 PRO 122 HB2 0.10 -0.15 -0.01 -0.04 2.28 2.18 2g6yA1 PRO 122 HB3 0.08 0.13 0.12 -0.04 2.02 2.31 2g6yA1 PRO 122 HG2 0.11 -0.12 0.03 -0.04 2.03 2.01 2g6yA1 PRO 122 HG3 0.08 0.26 0.16 -0.04 2.03 2.49 2g6yA1 PRO 122 HD2 0.17 -0.15 0.20 -0.04 3.68 3.86 2g6yA1 PRO 122 HD3 0.06 0.43 0.26 -0.04 3.65 4.35 2g6yA1 GLU 123 H 0.09 0.17 0.17 -0.55 8.60 8.49 2g6yA1 GLU 123 HA 0.03 0.12 0.37 -0.75 4.29 4.07 2g6yA1 GLU 123 HB2 -0.02 0.05 0.06 -0.04 2.09 2.15 2g6yA1 GLU 123 HB3 -0.03 0.05 0.14 -0.04 1.99 2.11 2g6yA1 GLU 123 HG2 0.04 -0.10 0.18 -0.04 2.34 2.42 2g6yA1 GLU 123 HG3 0.03 0.02 0.02 -0.04 2.34 2.37 2g6yA1 ASP 124 H 0.09 0.03 -0.26 -0.55 8.40 7.72 2g6yA1 ASP 124 HA 0.09 0.26 0.74 -0.75 4.63 4.96 2g6yA1 ASP 124 HB2 0.04 0.02 0.12 -0.04 2.71 2.84 2g6yA1 ASP 124 HB3 0.04 0.01 0.03 -0.04 2.70 2.74 2g6yA1 SER 125 H 0.24 0.59 -0.55 -0.55 8.46 8.19 2g6yA1 SER 125 HA 0.01 0.02 0.36 -0.75 4.49 4.13 2g6yA1 SER 125 HB2 0.14 0.13 0.08 -0.04 3.95 4.27 2g6yA1 SER 125 HB3 -0.12 0.11 0.01 -0.04 3.93 3.89 2g6yA1 VAL 126 H -0.27 0.14 0.17 -0.55 8.24 7.72 2g6yA1 VAL 126 HA -0.16 0.18 0.48 -0.75 4.13 3.88 2g6yA1 VAL 126 HB -0.28 0.00 0.05 -0.04 2.12 1.85 2g6yA1 VAL 126 HG13 -0.15 0.03 0.04 -0.04 0.97 0.84 2g6yA1 VAL 126 HG23 -1.06 -0.00 -0.07 -0.04 0.95 -0.22 2g6yA1 ILE 127 H -0.45 0.08 -0.39 -0.55 8.25 6.94 2g6yA1 ILE 127 HA -0.35 0.07 0.39 -0.75 4.18 3.54 2g6yA1 ILE 127 HB -0.52 -0.04 0.09 -0.04 1.89 1.38 2g6yA1 ILE 127 HG12 -0.85 -0.06 -0.07 -0.04 1.49 0.46 2g6yA1 ILE 127 HG13 -1.76 0.19 -0.33 -0.04 1.21 -0.74 2g6yA1 ILE 127 HG23 -0.44 -0.01 -0.06 -0.04 0.93 0.38 2g6yA1 ILE 127 HD13 -1.44 0.01 -0.12 -0.04 0.88 -0.72 2g6yA1 PHE 128 H -0.24 0.37 -0.42 -0.55 8.34 7.49 2g6yA1 PHE 128 HA -0.04 0.23 0.91 -0.75 4.62 4.97 2g6yA1 PHE 128 HB2 -0.03 0.15 0.06 -0.04 3.15 3.29 2g6yA1 PHE 128 HB3 -0.02 0.04 0.20 -0.04 3.06 3.24 2g6yA1 PHE 128 HD2 0.00 0.24 0.06 -0.04 7.28 7.54 2g6yA1 PHE 128 HE2 0.03 0.06 -0.24 -0.04 7.38 7.19 2g6yA1 PHE 128 HZ -0.02 -0.07 -0.14 -0.04 7.32 7.05 2g6yA1 THR 129 H -0.05 0.25 -0.40 -0.55 8.28 7.53 2g6yA1 THR 129 HA 0.02 0.27 0.76 -0.75 4.39 4.69 2g6yA1 THR 129 HB -0.02 -0.03 0.15 -0.04 4.32 4.38 2g6yA1 THR 129 HG23 -0.00 0.06 -0.14 -0.04 1.22 1.09 2g6yA1 ASP 130 H -0.01 0.20 0.08 -0.55 8.40 8.12 2g6yA1 ASP 130 HA 0.01 0.00 0.91 -0.75 4.63 4.79 2g6yA1 ASP 130 HB2 0.02 0.05 0.17 -0.04 2.71 2.91 2g6yA1 ASP 130 HB3 0.01 0.00 0.02 -0.04 2.70 2.69 2g6yA1 LYS 131 H -0.06 0.14 -0.32 -0.55 8.42 7.63 2g6yA1 LYS 131 HA -0.04 0.00 0.33 -0.75 4.32 3.85 2g6yA1 LYS 131 HB2 -0.09 0.00 0.06 -0.04 1.87 1.80 2g6yA1 LYS 131 HB3 -0.06 0.00 0.04 -0.04 1.79 1.73 2g6yA1 LYS 131 HG2 -0.03 0.04 0.01 -0.04 1.46 1.43 2g6yA1 LYS 131 HG3 -0.04 -0.08 0.01 -0.04 1.46 1.32 2g6yA1 LYS 131 HD2 -0.06 -0.02 0.02 -0.04 1.69 1.58 2g6yA1 LYS 131 HD3 -0.05 0.00 -0.01 -0.04 1.68 1.59 2g6yA1 LYS 131 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.93 2g6yA1 LYS 131 HE3 -0.02 0.03 -0.01 -0.04 2.99 2.95 2g6yA1 ILE 132 H -0.10 0.11 -0.20 -0.55 8.25 7.52 2g6yA1 ILE 132 HA -0.09 0.18 0.46 -0.75 4.18 3.97 2g6yA1 ILE 132 HB -0.12 -0.03 -0.01 -0.04 1.89 1.69 2g6yA1 ILE 132 HG12 -0.10 0.05 -0.15 -0.04 1.49 1.25 2g6yA1 ILE 132 HG13 -0.21 -0.08 -0.12 -0.04 1.21 0.76 2g6yA1 ILE 132 HG23 -0.20 0.02 -0.25 -0.04 0.93 0.45 2g6yA1 ILE 132 HD13 -0.54 -0.01 -0.16 -0.04 0.88 0.13 2g6yA1 ILE 133 H -0.16 0.63 0.36 -0.55 8.25 8.53 2g6yA1 ILE 133 HA -0.34 0.24 0.97 -0.75 4.18 4.29 2g6yA1 ILE 133 HB -0.08 0.02 0.05 -0.04 1.89 1.83 2g6yA1 ILE 133 HG12 -0.09 0.03 -0.35 -0.04 1.49 1.05 2g6yA1 ILE 133 HG13 -0.09 -0.05 -0.23 -0.04 1.21 0.81 2g6yA1 ILE 133 HG23 -0.07 0.04 -0.14 -0.04 0.93 0.73 2g6yA1 ILE 133 HD13 -0.05 0.01 -0.15 -0.04 0.88 0.65 2g6yA1 ARG 134 H -0.18 0.24 0.24 -0.55 8.46 8.20 2g6yA1 ARG 134 HA -0.13 0.00 0.35 -0.75 4.34 3.80 2g6yA1 ARG 134 HB2 0.04 0.00 0.16 -0.04 1.90 2.06 2g6yA1 ARG 134 HB3 -0.02 0.00 0.01 -0.04 1.80 1.74 2g6yA1 ARG 134 HG2 -0.02 -0.13 -0.09 -0.04 1.67 1.39 2g6yA1 ARG 134 HG3 0.03 0.00 -0.35 -0.04 1.67 1.31 2g6yA1 ARG 134 HD2 0.04 0.00 -0.07 -0.04 3.22 3.15 2g6yA1 ARG 134 HD3 0.02 0.00 -0.02 -0.04 3.22 3.18 2g6yA1 SER 135 H 0.18 0.20 0.15 -0.55 8.46 8.45 2g6yA1 SER 135 HA -0.07 0.10 0.94 -0.75 4.49 4.70 2g6yA1 SER 135 HB2 0.08 -0.00 0.06 -0.04 3.95 4.04 2g6yA1 SER 135 HB3 -0.12 0.15 -0.01 -0.04 3.93 3.91 2g6yA1 ASN 136 H -0.14 0.64 0.33 -0.55 8.53 8.82 2g6yA1 ASN 136 HA 0.01 0.16 0.79 -0.75 4.76 4.96 2g6yA1 ASN 136 HB2 -0.01 0.01 0.08 -0.04 2.88 2.91 2g6yA1 ASN 136 HB3 0.02 -0.00 0.14 -0.04 2.79 2.91 2g6yA1 ASN 136 HD21 0.35 -0.03 -0.29 -0.04 7.03 7.01 2g6yA1 ASN 136 HD22 0.23 -0.03 -0.32 -0.04 7.74 7.58 2g6yA1 ALA 137 H -0.01 0.05 0.20 -0.55 8.40 8.10 2g6yA1 ALA 137 HA -0.20 0.18 0.59 -0.75 4.34 4.16 2g6yA1 ALA 137 HB3 -0.07 0.00 0.15 -0.04 1.41 1.44 2g6yA1 THR 138 H -0.37 0.56 0.44 -0.55 8.28 8.37 2g6yA1 THR 138 HA -0.08 0.16 0.84 -0.75 4.39 4.55 2g6yA1 THR 138 HB -0.29 -0.01 0.02 -0.04 4.32 4.00 2g6yA1 THR 138 HG23 -0.11 0.04 -0.10 -0.04 1.22 1.01 2g6yA1 VAL 139 H 0.01 0.23 0.17 -0.55 8.24 8.10 2g6yA1 VAL 139 HA 0.04 0.30 0.75 -0.75 4.13 4.47 2g6yA1 VAL 139 HB 0.12 -0.04 0.13 -0.04 2.12 2.29 2g6yA1 VAL 139 HG13 0.18 -0.00 -0.23 -0.04 0.97 0.88 2g6yA1 VAL 139 HG23 0.34 -0.01 -0.14 -0.04 0.95 1.10 2g6yA1 GLU 140 H -0.07 0.65 0.21 -0.55 8.60 8.84 2g6yA1 GLU 140 HA 0.22 0.24 0.84 -0.75 4.29 4.84 2g6yA1 GLU 140 HB2 -0.16 -0.02 -0.02 -0.04 2.09 1.85 2g6yA1 GLU 140 HB3 -0.09 -0.03 0.09 -0.04 1.99 1.92 2g6yA1 GLU 140 HG2 0.11 0.07 -0.41 -0.04 2.34 2.07 2g6yA1 GLU 140 HG3 0.35 -0.02 -0.11 -0.04 2.34 2.51 2g6yA1 HIS 141 H 0.28 0.58 0.42 -0.55 8.41 9.16 2g6yA1 HIS 141 HA -0.05 0.17 0.84 -0.75 4.63 4.83 2g6yA1 HIS 141 HB2 0.22 0.01 0.13 -0.04 3.26 3.59 2g6yA1 HIS 141 HB3 0.11 -0.03 0.29 -0.04 3.20 3.53 2g6yA1 HIS 141 HD2 0.24 0.00 0.01 -0.04 6.97 7.17 2g6yA1 HIS 141 HE1 -0.22 -0.01 -0.12 -0.04 7.75 7.35 2g6yA1 LEU 142 H -0.38 0.75 0.40 -0.55 8.37 8.59 2g6yA1 LEU 142 HA 0.07 0.37 1.15 -0.75 4.35 5.19 2g6yA1 LEU 142 HB2 -0.13 0.00 0.14 -0.04 1.64 1.61 2g6yA1 LEU 142 HB3 0.01 -0.03 -0.04 -0.04 1.64 1.53 2g6yA1 LEU 142 HG -0.01 -0.04 -0.37 -0.04 1.64 1.18 2g6yA1 LEU 142 HD13 0.05 -0.01 -0.17 -0.04 0.93 0.75 2g6yA1 LEU 142 HD23 0.13 0.01 -0.17 -0.04 0.89 0.82 2g6yA1 HIS 143 H 0.04 0.57 0.34 -0.55 8.41 8.81 2g6yA1 HIS 143 HA -0.11 0.16 0.43 -0.75 4.63 4.35 2g6yA1 HIS 143 HB2 -0.05 0.07 0.09 -0.04 3.26 3.33 2g6yA1 HIS 143 HB3 -0.13 -0.01 -0.11 -0.04 3.20 2.91 2g6yA1 HIS 143 HD2 0.03 0.14 -0.07 -0.04 6.97 7.02 2g6yA1 HIS 143 HE1 0.09 -0.03 -0.07 -0.04 7.75 7.70 2g6yA1 PRO 144 HA -0.10 0.16 0.78 -0.51 4.44 4.77 2g6yA1 PRO 144 HB2 -0.04 -0.04 -0.06 -0.04 2.28 2.10 2g6yA1 PRO 144 HB3 -0.09 0.05 0.03 -0.04 2.02 1.97 2g6yA1 PRO 144 HG2 -0.02 0.06 0.09 -0.04 2.03 2.12 2g6yA1 PRO 144 HG3 -0.06 0.07 -0.02 -0.04 2.03 1.97 2g6yA1 PRO 144 HD2 0.08 0.09 0.18 -0.04 3.68 3.99 2g6yA1 PRO 144 HD3 -0.01 0.17 0.16 -0.04 3.65 3.92 2g6yA1 MET 145 H -0.07 0.68 0.24 -0.55 8.47 8.77 2g6yA1 MET 145 HA -0.02 0.00 0.68 -0.75 4.52 4.43 2g6yA1 MET 145 HB2 -0.02 0.00 0.17 -0.04 2.15 2.26 2g6yA1 MET 145 HB3 -0.01 0.00 0.08 -0.04 2.03 2.06 2g6yA1 MET 145 HG2 -0.16 -0.01 -0.16 -0.04 2.63 2.25 2g6yA1 MET 145 HG3 -0.04 -0.03 -0.08 -0.04 2.56 2.36 2g6yA1 MET 145 HE3 0.04 -0.01 -0.01 -0.04 2.10 2.08 2g6yA1 GLY 146 H -0.00 0.19 -0.05 -0.55 8.43 8.03 2g6yA1 GLY 146 HA2 -0.01 0.08 0.36 -0.51 4.01 3.93 2g6yA1 GLY 146 HA3 0.00 0.07 0.52 -0.51 4.01 4.08 2g6yA1 ASP 147 H -0.01 0.15 0.17 -0.55 8.40 8.17 2g6yA1 ASP 147 HA -0.07 0.12 0.16 -0.75 4.63 4.08 2g6yA1 ASP 147 HB2 -0.02 0.02 0.13 -0.04 2.71 2.79 2g6yA1 ASP 147 HB3 -0.05 -0.02 0.09 -0.04 2.70 2.68 2g6yA1 ASN 148 H -0.00 0.11 -0.27 -0.55 8.53 7.82 2g6yA1 ASN 148 HA -0.06 0.20 0.82 -0.75 4.76 4.97 2g6yA1 ASN 148 HB2 0.05 -0.03 -0.00 -0.04 2.88 2.86 2g6yA1 ASN 148 HB3 -0.15 0.19 0.17 -0.04 2.79 2.95 2g6yA1 ASN 148 HD21 0.01 -0.09 -0.29 -0.04 7.03 6.62 2g6yA1 ASN 148 HD22 -0.03 0.39 -0.40 -0.04 7.74 7.66 2g6yA1 ASP 149 H -0.00 0.42 -0.11 -0.55 8.40 8.16 2g6yA1 ASP 149 HA 0.23 0.36 1.22 -0.75 4.63 5.69 2g6yA1 ASP 149 HB2 0.05 0.23 0.17 -0.04 2.71 3.13 2g6yA1 ASP 149 HB3 0.09 -0.02 0.04 -0.04 2.70 2.77 2g6yA1 LEU 150 H 0.25 0.61 0.37 -0.55 8.37 9.05 2g6yA1 LEU 150 HA -0.02 0.20 0.93 -0.75 4.35 4.70 2g6yA1 LEU 150 HB2 0.29 -0.08 0.06 -0.04 1.64 1.86 2g6yA1 LEU 150 HB3 0.12 0.06 -0.11 -0.04 1.64 1.66 2g6yA1 LEU 150 HG -0.08 -0.01 -0.22 -0.04 1.64 1.28 2g6yA1 LEU 150 HD13 0.02 -0.02 -0.14 -0.04 0.93 0.76 2g6yA1 LEU 150 HD23 -0.09 0.01 -0.25 -0.04 0.89 0.53 2g6yA1 ASP 151 H -0.12 0.71 0.34 -0.55 8.40 8.78 2g6yA1 ASP 151 HA 0.15 0.22 1.10 -0.75 4.63 5.35 2g6yA1 ASP 151 HB2 -0.24 0.05 0.15 -0.04 2.71 2.63 2g6yA1 ASP 151 HB3 0.09 0.03 0.01 -0.04 2.70 2.79 2g6yA1 GLY 152 H 0.12 0.57 0.36 -0.55 8.43 8.94 2g6yA1 GLY 152 HA2 0.16 0.48 1.05 -0.51 4.01 5.20 2g6yA1 GLY 152 HA3 0.15 -0.08 0.28 -0.51 4.01 3.85 2g6yA1 SER 153 H 0.20 0.49 0.37 -0.55 8.46 8.98 2g6yA1 SER 153 HA -0.04 0.29 0.78 -0.75 4.49 4.76 2g6yA1 SER 153 HB2 0.04 0.04 -0.01 -0.04 3.95 3.98 2g6yA1 SER 153 HB3 0.05 -0.02 0.13 -0.04 3.93 4.04 2g6yA1 PHE 154 H -0.27 0.60 0.39 -0.55 8.34 8.50 2g6yA1 PHE 154 HA 0.02 0.14 0.56 -0.75 4.62 4.57 2g6yA1 PHE 154 HB2 -0.01 0.10 0.04 -0.04 3.15 3.25 2g6yA1 PHE 154 HB3 0.02 0.08 0.01 -0.04 3.06 3.12 2g6yA1 PHE 154 HD2 -0.02 0.05 -0.46 -0.04 7.28 6.81 2g6yA1 PHE 154 HE2 0.03 -0.02 -0.23 -0.04 7.38 7.13 2g6yA1 PHE 154 HZ 0.14 0.02 -0.20 -0.04 7.32 7.24 2g6yA1 THR 155 H 0.12 0.20 0.23 -0.55 8.28 8.29 2g6yA1 THR 155 HA -0.04 0.16 1.07 -0.75 4.39 4.83 2g6yA1 THR 155 HB 0.02 0.01 0.15 -0.04 4.32 4.46 2g6yA1 THR 155 HG23 -0.04 0.01 -0.04 -0.04 1.22 1.11 2g6yA1 ARG 156 H -0.04 0.60 0.32 -0.55 8.46 8.78 2g6yA1 ARG 156 HA 0.01 0.25 0.86 -0.75 4.34 4.70 2g6yA1 ARG 156 HB2 0.36 0.03 -0.26 -0.04 1.90 1.99 2g6yA1 ARG 156 HB3 -0.03 -0.11 -0.06 -0.04 1.80 1.55 2g6yA1 ARG 156 HG2 -0.41 -0.08 -0.26 -0.04 1.67 0.87 2g6yA1 ARG 156 HG3 -0.17 0.15 -0.00 -0.04 1.67 1.61 2g6yA1 ARG 156 HD2 0.06 0.06 -0.15 -0.04 3.22 3.15 2g6yA1 ARG 156 HD3 0.02 -0.06 -0.18 -0.04 3.22 2.96 2g6yA1 THR 157 H -0.11 0.31 0.15 -0.55 8.28 8.08 2g6yA1 THR 157 HA -0.02 0.23 1.13 -0.75 4.39 4.98 2g6yA1 THR 157 HB 0.16 0.04 0.04 -0.04 4.32 4.52 2g6yA1 THR 157 HG23 -0.10 -0.02 -0.16 -0.04 1.22 0.89 2g6yA1 PHE 158 H 0.36 0.69 0.40 -0.55 8.34 9.24 2g6yA1 PHE 158 HA 0.10 0.17 1.04 -0.75 4.62 5.18 2g6yA1 PHE 158 HB2 0.23 -0.13 0.09 -0.04 3.15 3.30 2g6yA1 PHE 158 HB3 0.07 0.06 0.06 -0.04 3.06 3.20 2g6yA1 PHE 158 HD2 0.17 0.06 -0.18 -0.04 7.28 7.28 2g6yA1 PHE 158 HE2 0.26 0.10 -0.28 -0.04 7.38 7.42 2g6yA1 PHE 158 HZ 0.09 0.05 -0.20 -0.04 7.32 7.21 2g6yA1 SER 159 H 0.13 0.46 0.24 -0.55 8.46 8.75 2g6yA1 SER 159 HA -0.09 0.26 0.95 -0.75 4.49 4.86 2g6yA1 SER 159 HB2 -0.01 -0.07 0.06 -0.04 3.95 3.88 2g6yA1 SER 159 HB3 -0.11 0.11 -0.00 -0.04 3.93 3.89 2g6yA1 LEU 160 H -0.15 0.61 0.15 -0.55 8.37 8.43 2g6yA1 LEU 160 HA -0.05 0.21 0.82 -0.75 4.35 4.56 2g6yA1 LEU 160 HB2 -0.06 0.27 -0.23 -0.04 1.64 1.59 2g6yA1 LEU 160 HB3 -0.04 -0.12 -0.07 -0.04 1.64 1.37 2g6yA1 LEU 160 HG 0.05 0.05 -0.39 -0.04 1.64 1.30 2g6yA1 LEU 160 HD13 0.03 0.01 -0.25 -0.04 0.93 0.68 2g6yA1 LEU 160 HD23 0.01 -0.03 -0.43 -0.04 0.89 0.40 2g6yA1 ARG 161 H -0.06 0.39 0.27 -0.55 8.46 8.51 2g6yA1 ARG 161 HA -0.05 0.09 0.30 -0.75 4.34 3.93 2g6yA1 ARG 161 HB2 -0.04 0.11 0.20 -0.04 1.90 2.13 2g6yA1 ARG 161 HB3 -0.03 -0.10 0.13 -0.04 1.80 1.76 2g6yA1 ARG 161 HG2 -0.02 0.00 -0.12 -0.04 1.67 1.49 2g6yA1 ARG 161 HG3 -0.02 0.03 0.05 -0.04 1.67 1.69 2g6yA1 ARG 161 HD2 -0.02 -0.05 -0.03 -0.04 3.22 3.08 2g6yA1 ARG 161 HD3 -0.01 0.03 -0.02 -0.04 3.22 3.18 2g6yA1 ASP 162 H -0.04 0.04 -0.17 -0.55 8.40 7.68 2g6yA1 ASP 162 HA -0.03 0.00 0.81 -0.75 4.63 4.66 2g6yA1 ASP 162 HB2 -0.02 0.00 0.10 -0.04 2.71 2.74 2g6yA1 ASP 162 HB3 -0.02 0.03 0.18 -0.04 2.70 2.85 2g6yA1 GLY 163 H -0.07 0.47 -0.56 -0.55 8.43 7.72 2g6yA1 GLY 163 HA2 -0.12 0.04 0.34 -0.51 4.01 3.76 2g6yA1 GLY 163 HA3 -0.07 0.13 0.59 -0.51 4.01 4.15 2g6yA1 GLY 164 H -0.25 0.09 0.14 -0.55 8.43 7.87 2g6yA1 GLY 164 HA2 -0.13 0.03 0.40 -0.51 4.01 3.79 2g6yA1 GLY 164 HA3 -0.05 0.16 0.65 -0.51 4.01 4.26 2g6yA1 TYR 165 H 0.15 0.25 0.22 -0.55 8.29 8.35 2g6yA1 TYR 165 HA 0.12 0.36 0.91 -0.75 4.56 5.19 2g6yA1 TYR 165 HB2 0.07 -0.02 -0.00 -0.04 3.06 3.07 2g6yA1 TYR 165 HB3 0.08 0.00 -0.03 -0.04 2.98 2.99 2g6yA1 TYR 165 HD2 0.04 0.01 -0.14 -0.04 7.15 7.02 2g6yA1 TYR 165 HE2 0.02 0.02 -0.06 -0.04 6.85 6.78 2g6yA1 TYR 166 H 0.41 0.57 0.33 -0.55 8.29 9.05 2g6yA1 TYR 166 HA 0.16 0.14 0.74 -0.75 4.56 4.85 2g6yA1 TYR 166 HB2 0.11 0.04 0.01 -0.04 3.06 3.17 2g6yA1 TYR 166 HB3 0.24 -0.02 0.12 -0.04 2.98 3.28 2g6yA1 TYR 166 HD2 0.01 0.06 -0.00 -0.04 7.15 7.17 2g6yA1 TYR 166 HE2 -0.01 -0.00 -0.03 -0.04 6.85 6.76 2g6yA1 SER 167 H -0.05 0.13 0.21 -0.55 8.46 8.20 2g6yA1 SER 167 HA -0.02 0.00 1.13 -0.75 4.49 4.85 2g6yA1 SER 167 HB2 -0.05 0.00 0.10 -0.04 3.95 3.96 2g6yA1 SER 167 HB3 0.02 0.00 -0.10 -0.04 3.93 3.81 2g6yA1 SER 168 H -0.14 0.70 0.46 -0.55 8.46 8.94 2g6yA1 SER 168 HA -0.32 0.24 0.79 -0.75 4.49 4.45 2g6yA1 SER 168 HB2 -0.87 0.02 -0.15 -0.04 3.95 2.91 2g6yA1 SER 168 HB3 -1.04 -0.07 -0.18 -0.04 3.93 2.60 2g6yA1 VAL 169 H -0.27 0.54 0.37 -0.55 8.24 8.34 2g6yA1 VAL 169 HA -0.18 0.00 1.09 -0.75 4.13 4.29 2g6yA1 VAL 169 HB -0.13 0.00 0.19 -0.04 2.12 2.13 2g6yA1 VAL 169 HG13 -0.12 0.01 -0.13 -0.04 0.97 0.69 2g6yA1 VAL 169 HG23 -0.09 0.02 -0.05 -0.04 0.95 0.80 2g6yA1 VAL 170 H -0.38 0.84 0.41 -0.55 8.24 8.57 2g6yA1 VAL 170 HA -0.27 0.26 1.15 -0.75 4.13 4.51 2g6yA1 VAL 170 HB -1.72 0.00 0.04 -0.04 2.12 0.40 2g6yA1 VAL 170 HG13 -0.30 0.00 -0.28 -0.04 0.97 0.35 2g6yA1 VAL 170 HG23 -0.29 -0.02 -0.28 -0.04 0.95 0.32 2g6yA1 ASP 171 H -0.17 0.69 0.43 -0.55 8.40 8.80 2g6yA1 ASP 171 HA -0.12 0.30 1.12 -0.75 4.63 5.17 2g6yA1 ASP 171 HB2 -0.13 -0.03 0.23 -0.04 2.71 2.74 2g6yA1 ASP 171 HB3 -0.11 0.06 0.12 -0.04 2.70 2.72 2g6yA1 SER 172 H -0.03 0.74 0.39 -0.55 8.46 9.01 2g6yA1 SER 172 HA -0.09 0.34 1.25 -0.75 4.49 5.24 2g6yA1 SER 172 HB2 0.12 -0.07 -0.03 -0.04 3.95 3.93 2g6yA1 SER 172 HB3 0.10 0.00 -0.08 -0.04 3.93 3.91 2g6yA1 HIS 173 H 0.08 0.58 0.38 -0.55 8.41 8.91 2g6yA1 HIS 173 HA 0.09 0.00 0.99 -0.75 4.63 4.95 2g6yA1 HIS 173 HB2 0.07 -0.01 0.27 -0.04 3.26 3.55 2g6yA1 HIS 173 HB3 0.09 0.00 0.02 -0.04 3.20 3.27 2g6yA1 HIS 173 HD2 0.05 0.10 0.01 -0.04 6.97 7.09 2g6yA1 HIS 173 HE1 0.04 -0.01 -0.04 -0.04 7.75 7.69 2g6yA1 MET 174 H 0.24 0.77 0.34 -0.55 8.47 9.27 2g6yA1 MET 174 HA 0.21 0.36 1.17 -0.75 4.52 5.50 2g6yA1 MET 174 HB2 0.36 -0.06 0.16 -0.04 2.15 2.57 2g6yA1 MET 174 HB3 0.14 0.03 -0.03 -0.04 2.03 2.13 2g6yA1 MET 174 HG2 0.22 0.00 -0.10 -0.04 2.63 2.72 2g6yA1 MET 174 HG3 0.20 -0.07 -0.16 -0.04 2.56 2.49 2g6yA1 MET 174 HE3 0.21 -0.03 -0.37 -0.04 2.10 1.87 2g6yA1 HIS 175 H 0.20 0.41 0.30 -0.55 8.41 8.78 2g6yA1 HIS 175 HA 0.20 0.30 1.16 -0.75 4.63 5.53 2g6yA1 HIS 175 HB2 0.08 -0.03 -0.02 -0.04 3.26 3.25 2g6yA1 HIS 175 HB3 0.08 -0.08 0.15 -0.04 3.20 3.31 2g6yA1 HIS 175 HD2 0.07 -0.09 -0.23 -0.04 6.97 6.68 2g6yA1 HIS 175 HE1 0.06 -0.06 -0.04 -0.04 7.75 7.67 2g6yA1 PHE 176 H -0.07 0.87 0.38 -0.55 8.34 8.96 2g6yA1 PHE 176 HA 0.03 0.15 0.86 -0.75 4.62 4.91 2g6yA1 PHE 176 HB2 -0.13 0.01 0.12 -0.04 3.15 3.10 2g6yA1 PHE 176 HB3 -0.06 0.13 -0.00 -0.04 3.06 3.09 2g6yA1 PHE 176 HD2 -0.03 0.11 -0.20 -0.04 7.28 7.12 2g6yA1 PHE 176 HE2 -0.22 0.03 -0.27 -0.04 7.38 6.88 2g6yA1 PHE 176 HZ -0.96 -0.08 -0.24 -0.04 7.32 5.99 2g6yA1 LYS 177 H 0.10 0.58 0.18 -0.55 8.42 8.73 2g6yA1 LYS 177 HA 0.05 0.00 0.47 -0.75 4.32 4.08 2g6yA1 LYS 177 HB2 0.09 0.00 0.07 -0.04 1.87 1.99 2g6yA1 LYS 177 HB3 0.08 0.00 0.16 -0.04 1.79 1.99 2g6yA1 LYS 177 HG2 0.06 0.00 -0.10 -0.04 1.46 1.38 2g6yA1 LYS 177 HG3 0.08 0.00 0.10 -0.04 1.46 1.60 2g6yA1 LYS 177 HD2 0.08 0.02 0.06 -0.04 1.69 1.81 2g6yA1 LYS 177 HD3 0.07 -0.03 0.06 -0.04 1.68 1.73 2g6yA1 LYS 177 HE2 0.05 -0.01 -0.00 -0.04 2.99 2.98 2g6yA1 LYS 177 HE3 0.06 0.00 0.02 -0.04 2.99 3.03 2g6yA1 SER 178 H 0.10 0.13 -0.03 -0.55 8.46 8.12 2g6yA1 SER 178 HA 0.03 0.00 0.86 -0.75 4.49 4.62 2g6yA1 SER 178 HB2 0.02 -0.10 0.16 -0.04 3.95 3.98 2g6yA1 SER 178 HB3 0.04 0.00 0.03 -0.04 3.93 3.95 2g6yA1 ALA 179 H -0.01 0.10 0.08 -0.55 8.40 8.03 2g6yA1 ALA 179 HA -0.08 0.13 0.26 -0.75 4.34 3.90 2g6yA1 ALA 179 HB3 -0.07 -0.00 0.08 -0.04 1.41 1.38 2g6yA1 ILE 180 H -0.25 0.62 0.34 -0.55 8.25 8.42 2g6yA1 ILE 180 HA -0.54 -0.01 0.46 -0.75 4.18 3.34 2g6yA1 ILE 180 HB -0.31 0.03 0.04 -0.04 1.89 1.61 2g6yA1 ILE 180 HG12 -1.78 -0.07 -0.10 -0.04 1.49 -0.50 2g6yA1 ILE 180 HG13 -0.63 0.09 0.06 -0.04 1.21 0.68 2g6yA1 ILE 180 HG23 -0.46 0.00 -0.11 -0.04 0.93 0.32 2g6yA1 ILE 180 HD13 -0.28 -0.01 -0.36 -0.04 0.88 0.18 2g6yA1 HIS 181 H -0.21 0.04 0.12 -0.55 8.41 7.82 2g6yA1 HIS 181 HA -0.27 0.17 0.32 -0.75 4.63 4.10 2g6yA1 HIS 181 HB2 -0.38 0.03 0.09 -0.04 3.26 2.97 2g6yA1 HIS 181 HB3 -0.31 -0.07 0.06 -0.04 3.20 2.85 2g6yA1 HIS 181 HD2 -1.87 0.04 -0.01 -0.04 6.97 5.08 2g6yA1 HIS 181 HE1 -0.18 0.11 -0.02 -0.04 7.75 7.61 2g6yA1 PRO 182 HA -0.17 0.09 0.30 -0.51 4.44 4.15 2g6yA1 PRO 182 HB2 -0.20 0.07 -0.02 -0.04 2.28 2.09 2g6yA1 PRO 182 HB3 -0.19 0.06 0.10 -0.04 2.02 1.95 2g6yA1 PRO 182 HG2 -0.51 0.04 0.07 -0.04 2.03 1.59 2g6yA1 PRO 182 HG3 -0.32 0.08 0.07 -0.04 2.03 1.82 2g6yA1 PRO 182 HD2 -1.66 0.05 0.19 -0.04 3.68 2.22 2g6yA1 PRO 182 HD3 -0.46 0.22 0.17 -0.04 3.65 3.54 2g6yA1 SER 183 H 0.04 0.08 -0.27 -0.55 8.46 7.78 2g6yA1 SER 183 HA -0.10 0.14 0.36 -0.75 4.49 4.14 2g6yA1 SER 183 HB2 -0.24 0.14 0.13 -0.04 3.95 3.94 2g6yA1 SER 183 HB3 0.05 0.05 0.12 -0.04 3.93 4.11 2g6yA1 ILE 184 H 0.00 0.32 -0.35 -0.55 8.25 7.68 2g6yA1 ILE 184 HA 0.08 0.15 0.66 -0.75 4.18 4.32 2g6yA1 ILE 184 HB -0.16 0.06 0.04 -0.04 1.89 1.79 2g6yA1 ILE 184 HG12 -0.06 -0.10 -0.05 -0.04 1.49 1.24 2g6yA1 ILE 184 HG13 -0.25 -0.07 0.03 -0.04 1.21 0.88 2g6yA1 ILE 184 HG23 -0.12 -0.01 -0.12 -0.04 0.93 0.64 2g6yA1 ILE 184 HD13 0.13 0.04 -0.11 -0.04 0.88 0.89 2g6yA1 LEU 185 H -0.10 0.37 -0.05 -0.55 8.37 8.05 2g6yA1 LEU 185 HA -0.07 0.06 0.50 -0.75 4.35 4.08 2g6yA1 LEU 185 HB2 -0.11 0.02 0.02 -0.04 1.64 1.53 2g6yA1 LEU 185 HB3 -0.08 -0.03 -0.03 -0.04 1.64 1.46 2g6yA1 LEU 185 HG -0.17 0.04 -0.14 -0.04 1.64 1.33 2g6yA1 LEU 185 HD13 -0.11 -0.00 0.00 -0.04 0.93 0.79 2g6yA1 LEU 185 HD23 -0.12 -0.01 -0.08 -0.04 0.89 0.64 2g6yA1 GLN 186 H -0.05 0.61 -0.24 -0.55 8.47 8.23 2g6yA1 GLN 186 HA -0.04 0.09 0.66 -0.75 4.36 4.32 2g6yA1 GLN 186 HB2 -0.07 0.08 0.01 -0.04 2.15 2.13 2g6yA1 GLN 186 HB3 -0.05 -0.04 0.13 -0.04 2.02 2.02 2g6yA1 GLN 186 HG2 -0.06 -0.04 -0.01 -0.04 2.40 2.25 2g6yA1 GLN 186 HG3 -0.08 0.01 0.05 -0.04 2.39 2.32 2g6yA1 GLN 186 HE21 -0.09 -0.02 -0.03 -0.04 6.97 6.79 2g6yA1 GLN 186 HE22 -0.09 -0.02 -0.01 -0.04 7.69 7.53 2g6yA1 ASN 187 H 0.01 0.30 -0.55 -0.55 8.53 7.74 2g6yA1 ASN 187 HA 0.07 0.07 0.31 -0.75 4.76 4.45 2g6yA1 ASN 187 HB2 0.13 0.08 0.15 -0.04 2.88 3.21 2g6yA1 ASN 187 HB3 0.02 0.07 0.09 -0.04 2.79 2.93 2g6yA1 ASN 187 HD21 -0.07 -0.02 -0.09 -0.04 7.03 6.82 2g6yA1 ASN 187 HD22 -0.07 0.25 -0.25 -0.04 7.74 7.63 2g6yA1 GLY 188 H -0.00 0.10 -0.25 -0.55 8.43 7.74 2g6yA1 GLY 188 HA2 0.00 -0.04 0.28 -0.51 4.01 3.74 2g6yA1 GLY 188 HA3 0.01 0.08 0.43 -0.51 4.01 4.01 2g6yA1 GLY 189 H -0.02 0.25 -0.13 -0.55 8.43 7.99 2g6yA1 GLY 189 HA2 -0.04 -0.03 0.36 -0.51 4.01 3.79 2g6yA1 GLY 189 HA3 -0.03 0.12 0.42 -0.51 4.01 4.02 2g6yA1 PRO 190 HA -0.30 0.18 0.55 -0.51 4.44 4.36 2g6yA1 PRO 190 HB2 -1.26 0.02 0.02 -0.04 2.28 1.02 2g6yA1 PRO 190 HB3 -1.01 -0.03 0.06 -0.04 2.02 1.00 2g6yA1 PRO 190 HG2 -0.37 0.05 0.05 -0.04 2.03 1.71 2g6yA1 PRO 190 HG3 -0.10 -0.01 0.07 -0.04 2.03 1.95 2g6yA1 PRO 190 HD2 -0.07 0.14 0.21 -0.04 3.68 3.92 2g6yA1 PRO 190 HD3 -0.08 0.08 0.21 -0.04 3.65 3.82 2g6yA1 MET 191 H -0.41 0.45 0.42 -0.55 8.47 8.39 2g6yA1 MET 191 HA -0.47 0.00 0.79 -0.75 4.52 4.09 2g6yA1 MET 191 HB2 -0.18 0.00 0.09 -0.04 2.15 2.02 2g6yA1 MET 191 HB3 -0.20 0.00 0.07 -0.04 2.03 1.87 2g6yA1 MET 191 HG2 -0.07 -0.08 -0.06 -0.04 2.63 2.37 2g6yA1 MET 191 HG3 -0.37 0.06 -0.07 -0.04 2.56 2.14 2g6yA1 MET 191 HE3 -0.37 0.05 0.03 -0.04 2.10 1.76 2g6yA1 PHE 192 H -0.53 0.66 0.35 -0.55 8.34 8.27 2g6yA1 PHE 192 HA -0.31 0.36 1.08 -0.75 4.62 5.00 2g6yA1 PHE 192 HB2 -1.89 0.04 0.07 -0.04 3.15 1.33 2g6yA1 PHE 192 HB3 -0.64 -0.05 -0.04 -0.04 3.06 2.28 2g6yA1 PHE 192 HD2 -0.24 0.08 -0.11 -0.04 7.28 6.96 2g6yA1 PHE 192 HE2 0.05 0.05 -0.02 -0.04 7.38 7.42 2g6yA1 PHE 192 HZ 0.02 -0.01 -0.03 -0.04 7.32 7.26 2g6yA1 ALA 193 H -0.06 0.55 0.25 -0.55 8.40 8.59 2g6yA1 ALA 193 HA -0.12 0.18 0.91 -0.75 4.34 4.56 2g6yA1 ALA 193 HB3 -0.17 -0.02 -0.05 -0.04 1.41 1.13 2g6yA1 PHE 194 H 0.31 0.71 0.26 -0.55 8.34 9.06 2g6yA1 PHE 194 HA 0.06 0.21 0.93 -0.75 4.62 5.05 2g6yA1 PHE 194 HB2 0.32 -0.05 0.10 -0.04 3.15 3.48 2g6yA1 PHE 194 HB3 0.22 0.13 0.23 -0.04 3.06 3.61 2g6yA1 PHE 194 HD2 0.13 -0.04 -0.11 -0.04 7.28 7.22 2g6yA1 PHE 194 HE2 0.05 -0.04 -0.11 -0.04 7.38 7.24 2g6yA1 PHE 194 HZ 0.02 -0.05 -0.07 -0.04 7.32 7.18 2g6yA1 ARG 195 H -0.62 0.60 0.42 -0.55 8.46 8.31 2g6yA1 ARG 195 HA -0.26 0.40 1.05 -0.75 4.34 4.77 2g6yA1 ARG 195 HB2 -0.33 -0.10 0.02 -0.04 1.90 1.45 2g6yA1 ARG 195 HB3 -0.18 0.02 -0.03 -0.04 1.80 1.57 2g6yA1 ARG 195 HG2 -0.14 0.09 -0.08 -0.04 1.67 1.51 2g6yA1 ARG 195 HG3 -0.23 -0.05 -0.60 -0.04 1.67 0.75 2g6yA1 ARG 195 HD2 -0.28 -0.06 -0.18 -0.04 3.22 2.66 2g6yA1 ARG 195 HD3 -0.08 0.03 -0.20 -0.04 3.22 2.93 2g6yA1 ARG 196 H -0.11 0.63 0.37 -0.55 8.46 8.80 2g6yA1 ARG 196 HA -0.16 0.10 0.31 -0.75 4.34 3.84 2g6yA1 ARG 196 HB2 0.01 -0.00 0.14 -0.04 1.90 2.01 2g6yA1 ARG 196 HB3 -0.20 0.02 0.07 -0.04 1.80 1.65 2g6yA1 ARG 196 HG2 0.16 0.02 0.01 -0.04 1.67 1.82 2g6yA1 ARG 196 HG3 0.20 -0.01 -0.23 -0.04 1.67 1.59 2g6yA1 ARG 196 HD2 0.16 -0.01 -0.04 -0.04 3.22 3.30 2g6yA1 ARG 196 HD3 0.47 0.00 -0.08 -0.04 3.22 3.57 2g6yA1 VAL 197 H 0.02 0.24 0.14 -0.55 8.24 8.09 2g6yA1 VAL 197 HA 0.07 0.35 1.20 -0.75 4.13 5.00 2g6yA1 VAL 197 HB 0.08 0.03 -0.07 -0.04 2.12 2.12 2g6yA1 VAL 197 HG13 0.06 -0.01 -0.34 -0.04 0.97 0.64 2g6yA1 VAL 197 HG23 0.08 -0.03 -0.14 -0.04 0.95 0.82 2g6yA1 GLU 198 H 0.07 0.78 0.41 -0.55 8.60 9.31 2g6yA1 GLU 198 HA 0.06 0.14 0.87 -0.75 4.29 4.61 2g6yA1 GLU 198 HB2 0.06 -0.08 0.24 -0.04 2.09 2.28 2g6yA1 GLU 198 HB3 0.06 0.04 0.04 -0.04 1.99 2.09 2g6yA1 GLU 198 HG2 0.11 0.03 0.01 -0.04 2.34 2.44 2g6yA1 GLU 198 HG3 0.19 -0.00 -0.11 -0.04 2.34 2.37 2g6yA1 GLU 199 H 0.03 0.21 0.18 -0.55 8.60 8.47 2g6yA1 GLU 199 HA -0.14 0.33 0.94 -0.75 4.29 4.66 2g6yA1 GLU 199 HB2 0.07 0.00 0.12 -0.04 2.09 2.25 2g6yA1 GLU 199 HB3 -0.71 -0.04 -0.02 -0.04 1.99 1.18 2g6yA1 GLU 199 HG2 0.03 0.03 -0.11 -0.04 2.34 2.25 2g6yA1 GLU 199 HG3 0.06 -0.04 -0.37 -0.04 2.34 1.95 2g6yA1 ASP 200 H -0.23 0.64 0.23 -0.55 8.40 8.50 2g6yA1 ASP 200 HA -0.06 0.13 0.75 -0.75 4.63 4.70 2g6yA1 ASP 200 HB2 -0.01 0.05 -0.14 -0.04 2.71 2.56 2g6yA1 ASP 200 HB3 -0.00 -0.02 0.13 -0.04 2.70 2.76 2g6yA1 HIS 201 H -0.09 0.22 0.09 -0.55 8.41 8.09 2g6yA1 HIS 201 HA -0.09 0.26 1.13 -0.75 4.63 5.17 2g6yA1 HIS 201 HB2 -0.46 -0.01 0.00 -0.04 3.26 2.75 2g6yA1 HIS 201 HB3 -0.27 0.13 -0.04 -0.04 3.20 2.97 2g6yA1 HIS 201 HD2 -1.11 -0.11 -0.37 -0.04 6.97 5.35 2g6yA1 HIS 201 HE1 -0.01 0.09 -0.25 -0.04 7.75 7.54 2g6yA1 SER 202 H -0.00 0.68 0.39 -0.55 8.46 8.99 2g6yA1 SER 202 HA -0.01 0.23 0.67 -0.75 4.49 4.63 2g6yA1 SER 202 HB2 -0.02 -0.01 0.25 -0.04 3.95 4.13 2g6yA1 SER 202 HB3 -0.00 0.15 0.11 -0.04 3.93 4.15 2g6yA1 ASN 203 H -0.05 0.20 0.16 -0.55 8.53 8.30 2g6yA1 ASN 203 HA -0.16 0.00 0.82 -0.75 4.76 4.67 2g6yA1 ASN 203 HB2 -0.07 0.00 0.16 -0.04 2.88 2.92 2g6yA1 ASN 203 HB3 -0.12 0.00 0.25 -0.04 2.79 2.88 2g6yA1 ASN 203 HD21 -0.06 -0.00 -0.10 -0.04 7.03 6.82 2g6yA1 ASN 203 HD22 -0.05 -0.09 -0.07 -0.04 7.74 7.49 2g6yA1 THR 204 H -0.06 -0.02 -0.24 -0.55 8.28 7.41 2g6yA1 THR 204 HA -0.07 0.33 1.18 -0.75 4.39 5.07 2g6yA1 THR 204 HB -0.03 0.06 0.09 -0.04 4.32 4.40 2g6yA1 THR 204 HG23 -0.04 0.01 -0.22 -0.04 1.22 0.93 2g6yA1 GLU 205 H -0.05 -0.02 0.02 -0.55 8.60 8.00 2g6yA1 GLU 205 HA -0.03 0.27 1.17 -0.75 4.29 4.94 2g6yA1 GLU 205 HB2 -0.01 -0.05 0.12 -0.04 2.09 2.11 2g6yA1 GLU 205 HB3 -0.00 0.11 0.04 -0.04 1.99 2.10 2g6yA1 GLU 205 HG2 -0.02 0.13 -0.13 -0.04 2.34 2.28 2g6yA1 GLU 205 HG3 -0.02 -0.19 -0.30 -0.04 2.34 1.78 2g6yA1 LEU 206 H -0.03 0.78 0.41 -0.55 8.37 8.98 2g6yA1 LEU 206 HA 0.06 0.09 0.89 -0.75 4.35 4.64 2g6yA1 LEU 206 HB2 -0.10 0.01 0.00 -0.04 1.64 1.51 2g6yA1 LEU 206 HB3 -0.23 0.02 -0.14 -0.04 1.64 1.25 2g6yA1 LEU 206 HG -0.68 0.00 -0.09 -0.04 1.64 0.83 2g6yA1 LEU 206 HD13 -0.19 -0.04 -0.38 -0.04 0.93 0.28 2g6yA1 LEU 206 HD23 -0.37 -0.01 -0.14 -0.04 0.89 0.33 2g6yA1 GLY 207 H 0.48 0.15 0.11 -0.55 8.43 8.63 2g6yA1 GLY 207 HA2 0.08 0.28 1.07 -0.51 4.01 4.93 2g6yA1 GLY 207 HA3 0.07 0.05 0.39 -0.51 4.01 4.01 2g6yA1 ILE 208 H 0.07 0.74 0.42 -0.55 8.25 8.93 2g6yA1 ILE 208 HA 0.04 0.34 1.12 -0.75 4.18 4.92 2g6yA1 ILE 208 HB 0.08 0.04 -0.07 -0.04 1.89 1.91 2g6yA1 ILE 208 HG12 0.12 0.02 -0.00 -0.04 1.49 1.59 2g6yA1 ILE 208 HG13 0.05 -0.08 -0.18 -0.04 1.21 0.96 2g6yA1 ILE 208 HG23 0.21 -0.03 -0.22 -0.04 0.93 0.85 2g6yA1 ILE 208 HD13 0.15 0.05 -0.21 -0.04 0.88 0.84 2g6yA1 VAL 209 H 0.01 0.58 0.40 -0.55 8.24 8.68 2g6yA1 VAL 209 HA -0.09 0.25 0.82 -0.75 4.13 4.35 2g6yA1 VAL 209 HB 0.02 -0.08 0.20 -0.04 2.12 2.21 2g6yA1 VAL 209 HG13 -0.23 0.01 -0.08 -0.04 0.97 0.63 2g6yA1 VAL 209 HG23 -0.01 -0.00 -0.01 -0.04 0.95 0.88 2g6yA1 GLU 210 H -0.18 0.65 0.31 -0.55 8.60 8.83 2g6yA1 GLU 210 HA -0.02 0.24 1.19 -0.75 4.29 4.95 2g6yA1 GLU 210 HB2 0.04 -0.08 -0.21 -0.04 2.09 1.80 2g6yA1 GLU 210 HB3 -0.01 -0.03 -0.07 -0.04 1.99 1.84 2g6yA1 GLU 210 HG2 0.01 0.05 -0.40 -0.04 2.34 1.95 2g6yA1 GLU 210 HG3 0.01 0.08 -0.09 -0.04 2.34 2.30 2g6yA1 TYR 211 H 0.12 0.59 0.38 -0.55 8.29 8.83 2g6yA1 TYR 211 HA -0.03 0.47 1.15 -0.75 4.56 5.40 2g6yA1 TYR 211 HB2 0.09 -0.11 0.11 -0.04 3.06 3.11 2g6yA1 TYR 211 HB3 0.05 0.05 0.01 -0.04 2.98 3.05 2g6yA1 TYR 211 HD2 0.09 0.09 -0.09 -0.04 7.15 7.20 2g6yA1 TYR 211 HE2 0.07 -0.01 -0.09 -0.04 6.85 6.77 2g6yA1 GLN 212 H -0.17 0.72 0.39 -0.55 8.47 8.87 2g6yA1 GLN 212 HA -0.06 0.31 1.05 -0.75 4.36 4.91 2g6yA1 GLN 212 HB2 0.02 0.06 0.08 -0.04 2.15 2.27 2g6yA1 GLN 212 HB3 -0.02 -0.06 -0.08 -0.04 2.02 1.82 2g6yA1 GLN 212 HG2 -0.03 -0.00 -0.24 -0.04 2.40 2.08 2g6yA1 GLN 212 HG3 0.02 -0.03 -0.56 -0.04 2.39 1.78 2g6yA1 GLN 212 HE21 0.33 0.29 -0.33 -0.04 6.97 7.22 2g6yA1 GLN 212 HE22 0.19 0.02 -0.37 -0.04 7.69 7.49 2g6yA1 HIS 213 H 0.15 0.68 0.27 -0.55 8.41 8.97 2g6yA1 HIS 213 HA 0.09 0.11 0.98 -0.75 4.63 5.06 2g6yA1 HIS 213 HB2 0.24 -0.06 0.11 -0.04 3.26 3.51 2g6yA1 HIS 213 HB3 0.10 0.06 -0.02 -0.04 3.20 3.29 2g6yA1 HIS 213 HD2 0.28 -0.04 -0.16 -0.04 6.97 7.00 2g6yA1 HIS 213 HE1 0.16 0.17 -0.06 -0.04 7.75 7.97 2g6yA1 ALA 214 H -0.09 0.75 0.29 -0.55 8.40 8.81 2g6yA1 ALA 214 HA -0.16 0.21 1.09 -0.75 4.34 4.73 2g6yA1 ALA 214 HB3 -0.98 -0.04 0.10 -0.04 1.41 0.45 2g6yA1 PHE 215 H -0.46 0.61 0.42 -0.55 8.34 8.35 2g6yA1 PHE 215 HA -0.15 0.10 0.76 -0.75 4.62 4.58 2g6yA1 PHE 215 HB2 -0.04 0.09 -0.02 -0.04 3.15 3.13 2g6yA1 PHE 215 HB3 -0.06 0.10 -0.27 -0.04 3.06 2.79 2g6yA1 PHE 215 HD2 0.02 0.01 -0.56 -0.04 7.28 6.71 2g6yA1 PHE 215 HE2 -0.07 -0.00 -0.17 -0.04 7.38 7.10 2g6yA1 PHE 215 HZ -0.11 -0.02 -0.13 -0.04 7.32 7.03 2g6yA1 LYS 216 H 0.05 0.13 0.21 -0.55 8.42 8.25 2g6yA1 LYS 216 HA -0.02 0.18 0.90 -0.75 4.32 4.63 2g6yA1 LYS 216 HB2 -0.15 0.00 0.12 -0.04 1.87 1.79 2g6yA1 LYS 216 HB3 0.04 -0.04 0.14 -0.04 1.79 1.88 2g6yA1 LYS 216 HG2 0.08 -0.03 -0.06 -0.04 1.46 1.41 2g6yA1 LYS 216 HG3 -0.01 0.14 0.10 -0.04 1.46 1.65 2g6yA1 LYS 216 HD2 0.09 0.11 0.01 -0.04 1.69 1.86 2g6yA1 LYS 216 HD3 0.11 -0.04 0.02 -0.04 1.68 1.73 2g6yA1 LYS 216 HE2 0.07 -0.06 -0.04 -0.04 2.99 2.93 2g6yA1 LYS 216 HE3 0.07 -0.00 -0.03 -0.04 2.99 2.98 2g6yA1 THR 217 H 0.20 0.11 0.18 -0.55 8.28 8.22 2g6yA1 THR 217 HA 0.26 0.23 0.54 -0.75 4.39 4.67 2g6yA1 THR 217 HB 0.04 0.01 0.06 -0.04 4.32 4.39 2g6yA1 THR 217 HG23 0.09 0.01 -0.15 -0.04 1.22 1.13 2g6yA1 PRO 218 HA -0.62 0.17 0.30 -0.51 4.44 3.78 2g6yA1 PRO 218 HB2 -0.37 0.04 0.03 -0.04 2.28 1.94 2g6yA1 PRO 218 HB3 -0.76 0.03 -0.03 -0.04 2.02 1.21 2g6yA1 PRO 218 HG2 -0.15 0.04 0.04 -0.04 2.03 1.92 2g6yA1 PRO 218 HG3 -0.16 0.04 0.02 -0.04 2.03 1.89 2g6yA1 PRO 218 HD2 -0.03 0.12 0.12 -0.04 3.68 3.86 2g6yA1 PRO 218 HD3 0.05 0.16 0.06 -0.04 3.65 3.89