============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 24 1.000 38.292 30.676 76.888 -99.200 -91.000 TYR 41 0.840 49.845 38.562 81.897 -99.200 -91.000 PHE 63 1.000 46.274 38.738 90.042 -99.200 -91.000 PHE 77 1.000 48.913 31.059 94.195 -99.200 -91.000 PHE 84 1.000 39.578 36.648 92.621 -99.200 -91.000 TYR 89 0.840 35.510 26.368 92.571 -99.200 -91.000 HIS 92 0.900 49.371 22.449 86.634 -99.200 -91.000 PHE 96 1.000 58.193 24.767 76.977 -99.200 -91.000 TYR 106 0.840 61.852 9.466 78.004 -99.200 -91.000 TRP 114 1.040 63.702 13.635 81.378 -99.200 -91.000 TRP6 114 1.020 63.546 13.658 83.740 -99.200 -91.000 TYR 123 0.840 58.510 22.541 92.210 -99.200 -91.000 TYR 147 0.840 47.239 11.579 75.319 -99.200 -91.000 TYR 148 0.840 45.909 5.311 76.812 -99.200 -91.000 TYR 157 0.840 51.359 13.023 74.282 -99.200 -91.000 TYR 173 0.840 52.825 10.479 97.542 -99.200 -91.000 TYR 176 0.840 48.739 11.736 103.282 -99.200 -91.000 PHE 218 1.000 30.928 15.463 88.972 -99.200 -91.000 TYR 233 0.840 42.085 7.808 81.683 -99.200 -91.000 TYR 238 0.840 42.492 5.778 71.810 -99.200 -91.000 HIS 239 0.900 40.943 4.971 79.776 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2yw9A1 MET 1 HA 0.00 -0.10 0.21 -0.75 4.52 3.88 2yw9A1 MET 1 HB2 0.00 -0.04 0.04 -0.04 2.15 2.12 2yw9A1 MET 1 HB3 0.00 -0.02 0.03 -0.04 2.03 2.01 2yw9A1 MET 1 HG2 0.00 0.08 -0.20 -0.04 2.63 2.47 2yw9A1 MET 1 HG3 0.00 -0.03 -0.01 -0.04 2.56 2.48 2yw9A1 MET 1 HE3 0.00 -0.01 -0.00 -0.04 2.10 2.05 2yw9A1 LEU 2 H 0.01 0.06 0.09 -0.55 8.37 7.98 2yw9A1 LEU 2 HA 0.01 0.13 0.78 -0.75 4.35 4.52 2yw9A1 THR 3 H 0.01 0.19 0.17 -0.55 8.28 8.11 2yw9A1 THR 3 HA 0.01 0.18 0.94 -0.75 4.39 4.77 2yw9A1 THR 3 HB 0.01 0.04 -0.08 -0.04 4.32 4.25 2yw9A1 THR 3 HG23 0.01 0.03 -0.17 -0.04 1.22 1.04 2yw9A1 VAL 4 H 0.01 0.20 0.08 -0.55 8.24 7.99 2yw9A1 VAL 4 HA 0.01 0.16 0.92 -0.75 4.13 4.47 2yw9A1 VAL 4 HB 0.01 0.01 0.18 -0.04 2.12 2.28 2yw9A1 VAL 4 HG13 0.00 0.01 -0.09 -0.04 0.97 0.84 2yw9A1 VAL 4 HG23 0.03 -0.00 -0.10 -0.04 0.95 0.84 2yw9A1 ASP 5 H 0.01 0.22 0.01 -0.55 8.40 8.10 2yw9A1 ASP 5 HA 0.01 0.26 0.94 -0.75 4.63 5.09 2yw9A1 ASP 5 HB2 0.01 -0.04 -0.01 -0.04 2.71 2.62 2yw9A1 ASP 5 HB3 0.01 0.02 0.19 -0.04 2.70 2.87 2yw9A1 LEU 6 H 0.01 0.81 0.21 -0.55 8.37 8.85 2yw9A1 LEU 6 HA 0.05 0.22 0.77 -0.75 4.35 4.64 2yw9A1 LEU 6 HB2 0.04 0.02 -0.23 -0.04 1.64 1.42 2yw9A1 LEU 6 HB3 0.14 -0.06 0.03 -0.04 1.64 1.71 2yw9A1 LEU 6 HG 0.01 -0.01 -0.24 -0.04 1.64 1.36 2yw9A1 LEU 6 HD13 -0.07 -0.00 -0.10 -0.04 0.93 0.71 2yw9A1 LEU 6 HD23 0.08 0.03 -0.21 -0.04 0.89 0.75 2yw9A1 SER 7 H 0.01 0.03 -0.19 -0.55 8.46 7.76 2yw9A1 SER 7 HA -0.01 0.41 0.52 -0.75 4.49 4.66 2yw9A1 SER 7 HB2 -0.01 -0.02 0.05 -0.04 3.95 3.93 2yw9A1 SER 7 HB3 -0.01 0.03 0.16 -0.04 3.93 4.07 2yw9A1 GLY 8 H -0.04 0.21 0.21 -0.55 8.43 8.27 2yw9A1 GLY 8 HA2 -0.06 -0.02 0.35 -0.51 4.01 3.77 2yw9A1 GLY 8 HA3 -0.04 0.09 0.57 -0.51 4.01 4.13 2yw9A1 LYS 9 H -0.05 0.38 -0.34 -0.55 8.42 7.86 2yw9A1 LYS 9 HA -0.17 0.13 0.76 -0.75 4.32 4.28 2yw9A1 LYS 9 HB2 0.07 0.09 0.05 -0.04 1.87 2.04 2yw9A1 LYS 9 HB3 -0.26 -0.06 -0.02 -0.04 1.79 1.41 2yw9A1 LYS 9 HG2 -0.00 0.08 -0.32 -0.04 1.46 1.17 2yw9A1 LYS 9 HG3 0.12 -0.04 -0.05 -0.04 1.46 1.44 2yw9A1 LYS 9 HD2 -0.19 0.02 -0.04 -0.04 1.69 1.43 2yw9A1 LYS 9 HD3 -0.12 0.01 -0.14 -0.04 1.68 1.39 2yw9A1 LYS 9 HE2 -0.02 0.03 -0.10 -0.04 2.99 2.86 2yw9A1 LYS 9 HE3 0.02 -0.00 -0.04 -0.04 2.99 2.93 2yw9A1 LYS 10 H -0.29 0.15 0.20 -0.55 8.42 7.93 2yw9A1 LYS 10 HA -0.42 0.26 1.01 -0.75 4.32 4.41 2yw9A1 LYS 10 HB2 -0.24 -0.13 0.10 -0.04 1.87 1.56 2yw9A1 LYS 10 HB3 -0.97 0.04 0.03 -0.04 1.79 0.85 2yw9A1 LYS 10 HG2 -0.26 0.02 -0.10 -0.04 1.46 1.08 2yw9A1 LYS 10 HG3 -0.26 0.12 -0.03 -0.04 1.46 1.25 2yw9A1 LYS 10 HD2 -1.25 -0.01 -0.02 -0.04 1.69 0.37 2yw9A1 LYS 10 HD3 -0.50 -0.00 -0.27 -0.04 1.68 0.87 2yw9A1 LYS 10 HE2 -0.16 0.11 -0.06 -0.04 2.99 2.83 2yw9A1 LYS 10 HE3 -0.12 0.13 0.06 -0.04 2.99 3.01 2yw9A1 ALA 11 H -0.09 0.70 0.40 -0.55 8.40 8.86 2yw9A1 ALA 11 HA 0.09 0.20 1.18 -0.75 4.34 5.06 2yw9A1 ALA 11 HB3 0.17 -0.01 -0.08 -0.04 1.41 1.45 2yw9A1 LEU 12 H 0.12 0.81 0.41 -0.55 8.37 9.16 2yw9A1 LEU 12 HA 0.13 0.23 1.02 -0.75 4.35 4.97 2yw9A1 LEU 12 HB2 0.04 0.05 0.01 -0.04 1.64 1.70 2yw9A1 LEU 12 HB3 0.06 0.04 0.21 -0.04 1.64 1.90 2yw9A1 LEU 12 HG -0.01 -0.10 -0.31 -0.04 1.64 1.18 2yw9A1 LEU 12 HD13 -0.01 0.03 -0.15 -0.04 0.93 0.76 2yw9A1 LEU 12 HD23 -0.40 -0.00 -0.13 -0.04 0.89 0.32 2yw9A1 VAL 13 H 0.08 0.81 0.32 -0.55 8.24 8.89 2yw9A1 VAL 13 HA 0.06 0.15 1.09 -0.75 4.13 4.68 2yw9A1 VAL 13 HB 0.05 0.01 0.09 -0.04 2.12 2.24 2yw9A1 VAL 13 HG13 0.04 -0.03 -0.16 -0.04 0.97 0.78 2yw9A1 VAL 13 HG23 0.04 0.00 -0.19 -0.04 0.95 0.76 2yw9A1 MET 14 H 0.04 0.83 0.39 -0.55 8.47 9.18 2yw9A1 MET 14 HA 0.03 0.11 1.04 -0.75 4.52 4.94 2yw9A1 MET 14 HB2 0.01 -0.00 0.13 -0.04 2.15 2.24 2yw9A1 MET 14 HB3 0.01 -0.06 0.02 -0.04 2.03 1.96 2yw9A1 MET 14 HG2 0.01 0.01 -0.27 -0.04 2.63 2.34 2yw9A1 MET 14 HG3 0.05 0.11 -0.26 -0.04 2.56 2.42 2yw9A1 MET 14 HE3 0.04 -0.03 -0.10 -0.04 2.10 1.98 2yw9A1 GLY 15 H 0.01 0.23 0.13 -0.55 8.43 8.25 2yw9A1 GLY 15 HA2 -0.02 -0.01 0.22 -0.51 4.01 3.69 2yw9A1 GLY 15 HA3 -0.06 0.09 0.22 -0.51 4.01 3.75 2yw9A1 VAL 16 H 0.05 0.18 -0.15 -0.55 8.24 7.77 2yw9A1 VAL 16 HA 0.05 0.02 0.66 -0.75 4.13 4.10 2yw9A1 VAL 16 HB 0.10 0.11 0.01 -0.04 2.12 2.30 2yw9A1 VAL 16 HG13 0.18 0.00 -0.23 -0.04 0.97 0.88 2yw9A1 VAL 16 HG23 0.09 -0.01 -0.36 -0.04 0.95 0.63 2yw9A1 THR 17 H 0.03 0.03 0.25 -0.55 8.28 8.04 2yw9A1 THR 17 HA 0.02 0.24 0.95 -0.75 4.39 4.85 2yw9A1 THR 17 HB 0.00 -0.01 0.08 -0.04 4.32 4.36 2yw9A1 THR 17 HG23 0.01 0.02 -0.16 -0.04 1.22 1.04 2yw9A1 ASN 18 H -0.01 0.03 0.21 -0.55 8.53 8.22 2yw9A1 ASN 18 HA -0.10 0.25 0.58 -0.75 4.76 4.74 2yw9A1 ASN 18 HB2 -0.08 0.03 0.16 -0.04 2.88 2.95 2yw9A1 ASN 18 HB3 -0.04 0.11 -0.18 -0.04 2.79 2.64 2yw9A1 ASN 18 HD21 -0.01 0.09 -0.15 -0.04 7.03 6.92 2yw9A1 ASN 18 HD22 -0.01 -0.09 0.00 -0.04 7.74 7.60 2yw9A1 GLN 19 H -0.24 0.24 0.13 -0.55 8.47 8.05 2yw9A1 GLN 19 HA -1.12 0.12 0.40 -0.75 4.36 3.01 2yw9A1 ARG 20 H -0.11 0.02 -0.30 -0.55 8.46 7.51 2yw9A1 ARG 20 HA -0.02 0.20 0.65 -0.75 4.34 4.43 2yw9A1 SER 21 H 0.01 0.26 -0.52 -0.55 8.46 7.66 2yw9A1 SER 21 HA 0.03 0.22 0.80 -0.75 4.49 4.79 2yw9A1 SER 21 HB2 0.05 -0.01 0.19 -0.04 3.95 4.13 2yw9A1 SER 21 HB3 0.02 -0.02 0.13 -0.04 3.93 4.02 2yw9A1 LEU 22 H 0.05 0.22 0.18 -0.55 8.37 8.27 2yw9A1 LEU 22 HA 0.06 0.12 0.46 -0.75 4.35 4.24 2yw9A1 LEU 22 HB2 0.04 0.03 0.09 -0.04 1.64 1.76 2yw9A1 LEU 22 HB3 0.04 0.05 0.04 -0.04 1.64 1.72 2yw9A1 LEU 22 HG 0.04 -0.02 0.09 -0.04 1.64 1.70 2yw9A1 LEU 22 HD13 0.05 0.03 0.01 -0.04 0.93 0.97 2yw9A1 LEU 22 HD23 0.04 0.01 -0.04 -0.04 0.89 0.85 2yw9A1 GLY 23 H 0.06 0.09 -0.09 -0.55 8.43 7.94 2yw9A1 GLY 23 HA2 0.04 0.15 0.37 -0.51 4.01 4.06 2yw9A1 GLY 23 HA3 0.05 0.10 0.17 -0.51 4.01 3.82 2yw9A1 PHE 24 H 0.20 0.07 -0.40 -0.55 8.34 7.66 2yw9A1 PHE 24 HA 0.01 0.10 0.37 -0.75 4.62 4.35 2yw9A1 PHE 24 HB2 0.01 -0.03 0.04 -0.04 3.15 3.13 2yw9A1 PHE 24 HB3 0.01 0.19 0.05 -0.04 3.06 3.27 2yw9A1 PHE 24 HD2 0.01 0.02 -0.14 -0.04 7.28 7.13 2yw9A1 PHE 24 HE2 0.00 0.10 -0.06 -0.04 7.38 7.38 2yw9A1 PHE 24 HZ 0.00 0.09 -0.21 -0.04 7.32 7.16 2yw9A1 ALA 25 H 0.13 0.23 -0.34 -0.55 8.40 7.88 2yw9A1 ALA 25 HA 0.03 0.06 0.26 -0.75 4.34 3.94 2yw9A1 ALA 25 HB3 0.06 0.04 0.05 -0.04 1.41 1.52 2yw9A1 ILE 26 H -0.01 0.32 -0.30 -0.55 8.25 7.71 2yw9A1 ILE 26 HA -0.04 0.07 0.49 -0.75 4.18 3.94 2yw9A1 ILE 26 HB -0.01 0.07 0.04 -0.04 1.89 1.95 2yw9A1 ILE 26 HG12 -0.00 0.01 -0.03 -0.04 1.49 1.42 2yw9A1 ILE 26 HG13 0.01 0.13 -0.00 -0.04 1.21 1.31 2yw9A1 ILE 26 HG23 -0.03 0.00 -0.19 -0.04 0.93 0.66 2yw9A1 ILE 26 HD13 0.02 -0.02 -0.12 -0.04 0.88 0.71 2yw9A1 ALA 27 H -0.10 0.36 -0.24 -0.55 8.40 7.87 2yw9A1 ALA 27 HA -0.08 0.03 0.32 -0.75 4.34 3.85 2yw9A1 ALA 27 HB3 -0.18 0.02 0.03 -0.04 1.41 1.25 2yw9A1 ALA 28 H -0.41 0.66 -0.13 -0.55 8.40 7.96 2yw9A1 ALA 28 HA -0.24 0.09 0.41 -0.75 4.34 3.85 2yw9A1 ALA 28 HB3 -0.27 0.01 0.05 -0.04 1.41 1.15 2yw9A1 LYS 29 H -0.10 0.45 -0.19 -0.55 8.42 8.03 2yw9A1 LYS 29 HA -0.04 0.01 0.45 -0.75 4.32 3.99 2yw9A1 LYS 29 HB2 -0.04 0.11 0.13 -0.04 1.87 2.03 2yw9A1 LYS 29 HB3 -0.04 0.03 -0.10 -0.04 1.79 1.64 2yw9A1 LYS 29 HG2 -0.01 -0.07 -0.30 -0.04 1.46 1.03 2yw9A1 LYS 29 HG3 -0.02 0.02 -0.03 -0.04 1.46 1.39 2yw9A1 LYS 29 HD2 -0.02 0.00 -0.08 -0.04 1.69 1.54 2yw9A1 LYS 29 HD3 -0.01 -0.06 -0.03 -0.04 1.68 1.54 2yw9A1 LYS 29 HE2 -0.00 -0.03 -0.04 -0.04 2.99 2.88 2yw9A1 LYS 29 HE3 -0.01 0.06 -0.03 -0.04 2.99 2.97 2yw9A1 LEU 30 H -0.08 0.61 -0.12 -0.55 8.37 8.24 2yw9A1 LEU 30 HA -0.06 0.03 0.43 -0.75 4.35 3.99 2yw9A1 LEU 30 HB2 -0.05 0.08 0.08 -0.04 1.64 1.72 2yw9A1 LEU 30 HB3 -0.01 -0.02 -0.12 -0.04 1.64 1.45 2yw9A1 LEU 30 HG -0.09 0.10 -0.10 -0.04 1.64 1.51 2yw9A1 LEU 30 HD13 -0.02 -0.04 -0.22 -0.04 0.93 0.62 2yw9A1 LEU 30 HD23 -0.26 0.01 -0.11 -0.04 0.89 0.48 2yw9A1 LYS 31 H -0.07 0.61 -0.18 -0.55 8.42 8.23 2yw9A1 LYS 31 HA -0.02 0.22 0.43 -0.75 4.32 4.19 2yw9A1 LYS 31 HB2 -0.05 -0.05 0.11 -0.04 1.87 1.83 2yw9A1 LYS 31 HB3 -0.06 0.06 0.20 -0.04 1.79 1.94 2yw9A1 LYS 31 HG2 -0.02 0.28 0.10 -0.04 1.46 1.77 2yw9A1 LYS 31 HG3 -0.02 -0.09 -0.11 -0.04 1.46 1.20 2yw9A1 LYS 31 HD2 -0.01 0.14 0.14 -0.04 1.69 1.91 2yw9A1 LYS 31 HD3 -0.01 -0.11 0.08 -0.04 1.68 1.60 2yw9A1 LYS 31 HE2 0.00 0.25 0.05 -0.04 2.99 3.24 2yw9A1 LYS 31 HE3 -0.00 -0.13 0.04 -0.04 2.99 2.86 2yw9A1 GLU 32 H -0.04 0.52 -0.10 -0.55 8.60 8.43 2yw9A1 GLU 32 HA -0.01 0.02 0.43 -0.75 4.29 3.97 2yw9A1 GLU 32 HB2 -0.02 0.07 0.14 -0.04 2.09 2.23 2yw9A1 GLU 32 HB3 -0.02 0.08 0.13 -0.04 1.99 2.13 2yw9A1 GLU 32 HG2 -0.01 0.01 -0.02 -0.04 2.34 2.27 2yw9A1 GLU 32 HG3 -0.01 -0.02 0.07 -0.04 2.34 2.34 2yw9A1 ALA 33 H -0.02 0.36 -0.44 -0.55 8.40 7.75 2yw9A1 ALA 33 HA -0.01 0.07 0.58 -0.75 4.34 4.24 2yw9A1 ALA 33 HB3 -0.01 -0.01 0.10 -0.04 1.41 1.45 2yw9A1 GLY 34 H -0.01 0.44 -0.43 -0.55 8.43 7.88 2yw9A1 GLY 34 HA2 -0.00 0.05 0.23 -0.51 4.01 3.78 2yw9A1 GLY 34 HA3 -0.00 -0.03 0.70 -0.51 4.01 4.18 2yw9A1 ALA 35 H 0.01 0.37 0.01 -0.55 8.40 8.24 2yw9A1 ALA 35 HA -0.01 0.15 0.63 -0.75 4.34 4.35 2yw9A1 ALA 35 HB3 0.08 -0.02 -0.11 -0.04 1.41 1.31 2yw9A1 GLU 36 H -0.11 0.57 0.35 -0.55 8.60 8.87 2yw9A1 GLU 36 HA -0.02 0.16 0.90 -0.75 4.29 4.58 2yw9A1 GLU 36 HB2 -0.33 0.02 0.18 -0.04 2.09 1.92 2yw9A1 GLU 36 HB3 -0.07 -0.03 0.04 -0.04 1.99 1.88 2yw9A1 GLU 36 HG2 -0.06 0.03 -0.00 -0.04 2.34 2.26 2yw9A1 GLU 36 HG3 -0.09 -0.01 0.03 -0.04 2.34 2.24 2yw9A1 VAL 37 H 0.05 0.26 0.20 -0.55 8.24 8.20 2yw9A1 VAL 37 HA 0.10 0.22 1.04 -0.75 4.13 4.72 2yw9A1 VAL 37 HB 0.05 -0.07 -0.15 -0.04 2.12 1.90 2yw9A1 VAL 37 HG13 0.03 -0.02 -0.13 -0.04 0.97 0.80 2yw9A1 VAL 37 HG23 0.00 0.05 -0.06 -0.04 0.95 0.91 2yw9A1 ALA 38 H 0.22 0.67 0.36 -0.55 8.40 9.10 2yw9A1 ALA 38 HA 0.12 0.14 0.95 -0.75 4.34 4.79 2yw9A1 ALA 38 HB3 0.21 0.00 0.04 -0.04 1.41 1.62 2yw9A1 LEU 39 H 0.07 0.68 0.23 -0.55 8.37 8.80 2yw9A1 LEU 39 HA 0.09 0.22 1.04 -0.75 4.35 4.94 2yw9A1 LEU 39 HB2 0.07 0.02 0.07 -0.04 1.64 1.76 2yw9A1 LEU 39 HB3 0.10 0.03 0.03 -0.04 1.64 1.76 2yw9A1 LEU 39 HG 0.07 0.03 -0.18 -0.04 1.64 1.52 2yw9A1 LEU 39 HD13 0.10 0.00 -0.19 -0.04 0.93 0.81 2yw9A1 LEU 39 HD23 0.08 -0.01 -0.06 -0.04 0.89 0.86 2yw9A1 SER 40 H 0.08 0.42 0.35 -0.55 8.46 8.77 2yw9A1 SER 40 HA 0.12 0.29 1.01 -0.75 4.49 5.16 2yw9A1 SER 40 HB2 -0.01 0.03 0.06 -0.04 3.95 3.99 2yw9A1 SER 40 HB3 0.01 0.06 -0.03 -0.04 3.93 3.93 2yw9A1 TYR 41 H -0.12 0.64 0.38 -0.55 8.29 8.63 2yw9A1 TYR 41 HA 0.00 0.12 0.64 -0.75 4.56 4.56 2yw9A1 TYR 41 HB2 -0.01 -0.09 0.05 -0.04 3.06 2.97 2yw9A1 TYR 41 HB3 0.00 0.14 -0.11 -0.04 2.98 2.97 2yw9A1 TYR 41 HD2 -0.00 0.05 -0.27 -0.04 7.15 6.89 2yw9A1 TYR 41 HE2 -0.02 -0.04 -0.39 -0.04 6.85 6.35 2yw9A1 GLN 42 H 0.09 0.14 0.13 -0.55 8.47 8.28 2yw9A1 GLN 42 HA -0.06 0.31 0.21 -0.75 4.36 4.07 2yw9A1 GLN 42 HB2 -0.02 0.03 0.11 -0.04 2.15 2.23 2yw9A1 GLN 42 HB3 0.00 -0.03 0.14 -0.04 2.02 2.09 2yw9A1 GLN 42 HG2 -0.04 -0.01 -0.23 -0.04 2.40 2.07 2yw9A1 GLN 42 HG3 -0.05 -0.09 0.08 -0.04 2.39 2.28 2yw9A1 GLN 42 HE21 -0.18 0.03 -0.03 -0.04 6.97 6.75 2yw9A1 GLN 42 HE22 -0.09 -0.03 -0.03 -0.04 7.69 7.49 2yw9A1 ALA 43 H 0.11 0.17 0.03 -0.55 8.40 8.16 2yw9A1 ALA 43 HA -0.03 0.23 0.73 -0.75 4.34 4.52 2yw9A1 ALA 43 HB3 0.01 0.02 -0.04 -0.04 1.41 1.36 2yw9A1 GLU 44 H 0.05 0.23 0.14 -0.55 8.60 8.48 2yw9A1 GLU 44 HA 0.33 0.12 0.30 -0.75 4.29 4.28 2yw9A1 GLU 44 HB2 0.07 0.04 0.11 -0.04 2.09 2.27 2yw9A1 GLU 44 HB3 0.05 0.03 0.07 -0.04 1.99 2.09 2yw9A1 GLU 44 HG2 0.05 0.06 0.02 -0.04 2.34 2.43 2yw9A1 GLU 44 HG3 0.06 0.00 0.04 -0.04 2.34 2.40 2yw9A1 ARG 45 H 0.05 0.05 -0.25 -0.55 8.46 7.76 2yw9A1 ARG 45 HA 0.02 0.16 0.53 -0.75 4.34 4.30 2yw9A1 ARG 45 HB2 0.01 0.07 0.10 -0.04 1.90 2.04 2yw9A1 ARG 45 HB3 0.02 0.01 0.08 -0.04 1.80 1.86 2yw9A1 ARG 45 HG2 0.03 -0.15 -0.08 -0.04 1.67 1.42 2yw9A1 ARG 45 HG3 0.02 0.05 -0.27 -0.04 1.67 1.42 2yw9A1 LEU 46 H 0.10 0.37 -0.43 -0.55 8.37 7.87 2yw9A1 LEU 46 HA -0.01 0.21 0.85 -0.75 4.35 4.64 2yw9A1 LEU 46 HB2 0.15 0.04 0.10 -0.04 1.64 1.89 2yw9A1 LEU 46 HB3 0.03 0.00 0.18 -0.04 1.64 1.81 2yw9A1 LEU 46 HG 0.03 -0.09 -0.15 -0.04 1.64 1.39 2yw9A1 LEU 46 HD13 0.03 -0.03 0.04 -0.04 0.93 0.92 2yw9A1 LEU 46 HD23 -0.00 0.06 -0.03 -0.04 0.89 0.87 2yw9A1 ARG 47 H -0.04 0.39 -0.28 -0.55 8.46 7.97 2yw9A1 ARG 47 HA -0.69 0.02 0.34 -0.75 4.34 3.26 2yw9A1 ARG 47 HB2 -0.10 -0.01 0.11 -0.04 1.90 1.86 2yw9A1 ARG 47 HB3 -0.10 0.10 0.08 -0.04 1.80 1.84 2yw9A1 ARG 47 HG2 -0.17 0.00 -0.18 -0.04 1.67 1.28 2yw9A1 ARG 47 HG3 -0.43 -0.04 -0.00 -0.04 1.67 1.15 2yw9A1 ARG 47 HD2 0.02 -0.03 -0.03 -0.04 3.22 3.14 2yw9A1 ARG 47 HD3 -0.04 0.03 -0.02 -0.04 3.22 3.15 2yw9A1 PRO 48 HA -0.08 0.09 0.46 -0.51 4.44 4.40 2yw9A1 PRO 48 HB2 -0.05 0.01 0.01 -0.04 2.28 2.21 2yw9A1 PRO 48 HB3 -0.05 0.06 0.05 -0.04 2.02 2.05 2yw9A1 PRO 48 HG2 -0.03 0.09 0.04 -0.04 2.03 2.09 2yw9A1 PRO 48 HG3 -0.04 0.06 0.04 -0.04 2.03 2.05 2yw9A1 PRO 48 HD2 -0.06 0.13 -0.22 -0.04 3.68 3.50 2yw9A1 PRO 48 HD3 -0.06 0.14 0.06 -0.04 3.65 3.75 2yw9A1 GLU 49 H -0.08 0.18 -0.28 -0.55 8.60 7.88 2yw9A1 GLU 49 HA -0.06 0.05 0.48 -0.75 4.29 4.00 2yw9A1 ALA 50 H -0.17 0.46 -0.08 -0.55 8.40 8.06 2yw9A1 ALA 50 HA -0.07 0.04 0.40 -0.75 4.34 3.95 2yw9A1 ALA 50 HB3 -0.36 0.01 0.02 -0.04 1.41 1.04 2yw9A1 GLU 51 H -0.15 0.68 -0.10 -0.55 8.60 8.48 2yw9A1 GLU 51 HA -0.08 0.06 0.50 -0.75 4.29 4.02 2yw9A1 GLU 51 HB2 -0.08 0.09 0.15 -0.04 2.09 2.20 2yw9A1 GLU 51 HB3 -0.06 -0.02 -0.01 -0.04 1.99 1.87 2yw9A1 GLU 51 HG2 -0.09 0.01 0.01 -0.04 2.34 2.24 2yw9A1 GLU 51 HG3 -0.15 0.02 -0.01 -0.04 2.34 2.16 2yw9A1 LYS 52 H -0.06 0.46 -0.17 -0.55 8.42 8.09 2yw9A1 LYS 52 HA -0.03 0.03 0.45 -0.75 4.32 4.02 2yw9A1 LYS 52 HB2 -0.06 0.17 0.18 -0.04 1.87 2.12 2yw9A1 LYS 52 HB3 -0.05 -0.06 0.03 -0.04 1.79 1.67 2yw9A1 LYS 52 HG2 -0.04 -0.03 0.05 -0.04 1.46 1.39 2yw9A1 LYS 52 HG3 -0.05 0.26 0.10 -0.04 1.46 1.73 2yw9A1 LYS 52 HD2 -0.05 -0.03 0.02 -0.04 1.69 1.59 2yw9A1 LYS 52 HD3 -0.04 -0.01 0.00 -0.04 1.68 1.59 2yw9A1 LYS 52 HE2 -0.04 -0.02 -0.10 -0.04 2.99 2.79 2yw9A1 LYS 52 HE3 -0.05 -0.00 0.02 -0.04 2.99 2.91 2yw9A1 LEU 53 H -0.03 0.41 -0.30 -0.55 8.37 7.90 2yw9A1 LEU 53 HA 0.02 -0.00 0.39 -0.75 4.35 4.00 2yw9A1 LEU 53 HB2 0.04 0.18 0.05 -0.04 1.64 1.87 2yw9A1 LEU 53 HB3 0.18 -0.04 -0.12 -0.04 1.64 1.62 2yw9A1 LEU 53 HG -0.04 0.27 -0.06 -0.04 1.64 1.77 2yw9A1 LEU 53 HD13 0.03 -0.04 -0.35 -0.04 0.93 0.53 2yw9A1 LEU 53 HD23 -0.18 -0.05 -0.28 -0.04 0.89 0.33 2yw9A1 ALA 54 H 0.01 0.51 -0.14 -0.55 8.40 8.24 2yw9A1 ALA 54 HA 0.05 0.06 0.34 -0.75 4.34 4.05 2yw9A1 ALA 54 HB3 -0.01 0.03 0.09 -0.04 1.41 1.48 2yw9A1 GLU 55 H 0.01 0.48 -0.28 -0.55 8.60 8.27 2yw9A1 GLU 55 HA 0.02 0.02 0.40 -0.75 4.29 3.97 2yw9A1 GLU 55 HB2 -0.01 0.05 0.11 -0.04 2.09 2.21 2yw9A1 GLU 55 HB3 0.00 0.10 0.13 -0.04 1.99 2.19 2yw9A1 GLU 55 HG2 0.01 0.01 -0.11 -0.04 2.34 2.20 2yw9A1 GLU 55 HG3 0.00 -0.01 0.04 -0.04 2.34 2.33 2yw9A1 ALA 56 H 0.06 0.43 -0.19 -0.55 8.40 8.16 2yw9A1 ALA 56 HA 0.08 0.03 0.44 -0.75 4.34 4.13 2yw9A1 ALA 56 HB3 0.14 0.01 0.09 -0.04 1.41 1.61 2yw9A1 LEU 57 H 0.13 0.33 -0.46 -0.55 8.37 7.83 2yw9A1 LEU 57 HA 0.02 0.04 0.52 -0.75 4.35 4.17 2yw9A1 LEU 57 HB2 0.04 0.08 -0.05 -0.04 1.64 1.67 2yw9A1 LEU 57 HB3 -0.02 0.06 0.01 -0.04 1.64 1.65 2yw9A1 LEU 57 HG 0.15 0.06 -0.08 -0.04 1.64 1.72 2yw9A1 LEU 57 HD13 -0.02 -0.04 -0.16 -0.04 0.93 0.67 2yw9A1 LEU 57 HD23 -0.49 0.00 -0.18 -0.04 0.89 0.18 2yw9A1 GLY 58 H 0.05 0.29 -0.74 -0.55 8.43 7.48 2yw9A1 GLY 58 HA2 0.02 -0.01 0.30 -0.51 4.01 3.81 2yw9A1 GLY 58 HA3 0.02 0.05 0.53 -0.51 4.01 4.10 2yw9A1 GLY 59 H 0.02 0.48 0.01 -0.55 8.43 8.40 2yw9A1 GLY 59 HA2 0.01 -0.15 0.29 -0.51 4.01 3.64 2yw9A1 GLY 59 HA3 0.01 0.15 0.73 -0.51 4.01 4.40 2yw9A1 ALA 60 H 0.01 0.18 0.14 -0.55 8.40 8.17 2yw9A1 ALA 60 HA 0.05 0.18 0.62 -0.75 4.34 4.43 2yw9A1 ALA 60 HB3 0.04 0.01 -0.07 -0.04 1.41 1.34 2yw9A1 LEU 61 H 0.06 0.44 0.33 -0.55 8.37 8.65 2yw9A1 LEU 61 HA -0.13 0.04 0.61 -0.75 4.35 4.12 2yw9A1 LEU 61 HB2 0.02 0.10 0.17 -0.04 1.64 1.89 2yw9A1 LEU 61 HB3 -0.18 -0.05 0.01 -0.04 1.64 1.37 2yw9A1 LEU 61 HG -0.56 0.01 -0.01 -0.04 1.64 1.04 2yw9A1 LEU 61 HD13 -0.12 -0.01 0.05 -0.04 0.93 0.81 2yw9A1 LEU 61 HD23 -0.25 0.02 -0.04 -0.04 0.89 0.57 2yw9A1 LEU 62 H -0.29 0.17 0.21 -0.55 8.37 7.91 2yw9A1 LEU 62 HA -0.02 0.37 1.04 -0.75 4.35 4.99 2yw9A1 LEU 62 HB2 -0.07 -0.04 0.05 -0.04 1.64 1.54 2yw9A1 LEU 62 HB3 0.10 -0.07 -0.08 -0.04 1.64 1.55 2yw9A1 LEU 62 HG -0.07 0.10 -0.27 -0.04 1.64 1.36 2yw9A1 LEU 62 HD13 -0.15 -0.03 -0.20 -0.04 0.93 0.51 2yw9A1 LEU 62 HD23 -0.01 0.04 -0.15 -0.04 0.89 0.73 2yw9A1 PHE 63 H 0.17 0.55 0.29 -0.55 8.34 8.80 2yw9A1 PHE 63 HA -0.02 0.13 0.75 -0.75 4.62 4.73 2yw9A1 PHE 63 HB2 -0.11 -0.01 -0.00 -0.04 3.15 2.99 2yw9A1 PHE 63 HB3 -0.13 0.01 -0.06 -0.04 3.06 2.85 2yw9A1 PHE 63 HD2 -0.11 -0.03 -0.11 -0.04 7.28 7.00 2yw9A1 PHE 63 HE2 -0.22 0.01 -0.11 -0.04 7.38 7.01 2yw9A1 PHE 63 HZ -0.26 0.14 -0.30 -0.04 7.32 6.85 2yw9A1 ARG 64 H -0.08 0.17 0.08 -0.55 8.46 8.08 2yw9A1 ARG 64 HA -1.04 0.21 0.81 -0.75 4.34 3.57 2yw9A1 ARG 64 HB2 -0.54 -0.03 -0.06 -0.04 1.90 1.22 2yw9A1 ARG 64 HB3 -0.18 0.02 0.09 -0.04 1.80 1.69 2yw9A1 ARG 64 HG2 -0.19 0.02 -0.33 -0.04 1.67 1.13 2yw9A1 ARG 64 HG3 -0.38 -0.00 -0.35 -0.04 1.67 0.90 2yw9A1 ARG 64 HD2 -0.05 -0.11 0.01 -0.04 3.22 3.03 2yw9A1 ARG 64 HD3 -0.01 -0.06 -0.11 -0.04 3.22 3.00 2yw9A1 ALA 65 H -0.26 0.76 0.22 -0.55 8.40 8.57 2yw9A1 ALA 65 HA -0.08 -0.04 0.34 -0.75 4.34 3.81 2yw9A1 ALA 65 HB3 -0.06 0.04 -0.17 -0.04 1.41 1.19 2yw9A1 ASP 66 H -0.04 0.12 0.14 -0.55 8.40 8.07 2yw9A1 ASP 66 HA -0.04 0.09 0.86 -0.75 4.63 4.80 2yw9A1 ASP 66 HB2 -0.04 0.18 0.15 -0.04 2.71 2.96 2yw9A1 ASP 66 HB3 -0.02 -0.03 0.21 -0.04 2.70 2.82 2yw9A1 VAL 67 H -0.01 0.19 0.08 -0.55 8.24 7.96 2yw9A1 VAL 67 HA 0.04 0.15 0.09 -0.75 4.13 3.65 2yw9A1 VAL 67 HB 0.06 0.07 0.09 -0.04 2.12 2.30 2yw9A1 VAL 67 HG13 0.02 0.02 -0.04 -0.04 0.97 0.93 2yw9A1 VAL 67 HG23 0.04 0.01 -0.08 -0.04 0.95 0.88 2yw9A1 THR 68 H 0.02 -0.01 -0.52 -0.55 8.28 7.23 2yw9A1 THR 68 HA 0.09 0.24 0.75 -0.75 4.39 4.71 2yw9A1 THR 68 HB 0.04 0.03 0.09 -0.04 4.32 4.44 2yw9A1 THR 68 HG23 0.04 -0.01 -0.10 -0.04 1.22 1.11 2yw9A1 GLN 69 H 0.03 0.57 -0.15 -0.55 8.47 8.38 2yw9A1 GLN 69 HA 0.03 0.18 0.94 -0.75 4.36 4.75 2yw9A1 GLN 69 HB2 0.00 0.05 0.27 -0.04 2.15 2.43 2yw9A1 GLN 69 HB3 0.01 -0.07 0.10 -0.04 2.02 2.01 2yw9A1 GLN 69 HG2 0.00 -0.11 -0.14 -0.04 2.40 2.12 2yw9A1 GLN 69 HG3 -0.00 0.01 0.03 -0.04 2.39 2.38 2yw9A1 GLN 69 HE21 0.01 0.05 -0.06 -0.04 6.97 6.92 2yw9A1 GLN 69 HE22 0.01 -0.10 -0.20 -0.04 7.69 7.36 2yw9A1 ASP 70 H 0.04 0.27 0.06 -0.55 8.40 8.22 2yw9A1 ASP 70 HA 0.04 0.12 0.29 -0.75 4.63 4.33 2yw9A1 ASP 70 HB2 0.03 -0.02 0.08 -0.04 2.71 2.76 2yw9A1 ASP 70 HB3 0.03 0.08 -0.00 -0.04 2.70 2.77 2yw9A1 GLU 71 H 0.02 0.07 -0.21 -0.55 8.60 7.92 2yw9A1 GLU 71 HA 0.01 0.14 0.43 -0.75 4.29 4.12 2yw9A1 GLU 71 HB2 0.00 0.08 0.07 -0.04 2.09 2.20 2yw9A1 GLU 71 HB3 0.01 0.00 0.10 -0.04 1.99 2.05 2yw9A1 GLU 71 HG2 0.00 0.07 -0.19 -0.04 2.34 2.18 2yw9A1 GLU 71 HG3 0.00 0.07 -0.03 -0.04 2.34 2.33 2yw9A1 GLU 72 H 0.01 0.12 -0.13 -0.55 8.60 8.04 2yw9A1 GLU 72 HA -0.01 0.08 0.45 -0.75 4.29 4.06 2yw9A1 GLU 72 HB2 -0.01 0.17 0.17 -0.04 2.09 2.38 2yw9A1 GLU 72 HB3 -0.03 0.04 0.14 -0.04 1.99 2.09 2yw9A1 GLU 72 HG2 -0.02 0.06 0.05 -0.04 2.34 2.39 2yw9A1 GLU 72 HG3 -0.01 -0.07 0.09 -0.04 2.34 2.32 2yw9A1 LEU 73 H 0.03 0.38 -0.24 -0.55 8.37 7.99 2yw9A1 LEU 73 HA 0.08 0.03 0.43 -0.75 4.35 4.13 2yw9A1 LEU 73 HB2 0.05 0.08 0.04 -0.04 1.64 1.77 2yw9A1 LEU 73 HB3 0.11 0.06 -0.10 -0.04 1.64 1.67 2yw9A1 LEU 73 HG 0.05 0.05 -0.17 -0.04 1.64 1.52 2yw9A1 LEU 73 HD13 0.05 0.01 -0.17 -0.04 0.93 0.77 2yw9A1 LEU 73 HD23 0.11 -0.02 -0.17 -0.04 0.89 0.78 2yw9A1 ASP 74 H 0.03 0.45 -0.17 -0.55 8.40 8.16 2yw9A1 ASP 74 HA 0.05 0.09 0.49 -0.75 4.63 4.50 2yw9A1 ASP 74 HB2 0.01 0.12 0.20 -0.04 2.71 3.01 2yw9A1 ASP 74 HB3 0.01 -0.01 0.01 -0.04 2.70 2.67 2yw9A1 ALA 75 H 0.00 0.42 -0.13 -0.55 8.40 8.15 2yw9A1 ALA 75 HA -0.02 0.04 0.39 -0.75 4.34 3.99 2yw9A1 ALA 75 HB3 -0.02 0.02 0.12 -0.04 1.41 1.49 2yw9A1 LEU 76 H -0.05 0.55 -0.15 -0.55 8.37 8.17 2yw9A1 LEU 76 HA -0.38 0.01 0.40 -0.75 4.35 3.63 2yw9A1 LEU 76 HB2 -0.15 0.03 -0.01 -0.04 1.64 1.47 2yw9A1 LEU 76 HB3 -0.12 0.07 0.11 -0.04 1.64 1.67 2yw9A1 LEU 76 HG -0.64 -0.03 -0.13 -0.04 1.64 0.80 2yw9A1 LEU 76 HD13 -0.10 -0.03 -0.21 -0.04 0.93 0.55 2yw9A1 LEU 76 HD23 -0.71 0.01 -0.24 -0.04 0.89 -0.09 2yw9A1 PHE 77 H 0.09 0.50 -0.22 -0.55 8.34 8.16 2yw9A1 PHE 77 HA -0.19 0.04 0.49 -0.75 4.62 4.20 2yw9A1 PHE 77 HB2 -0.08 0.09 0.12 -0.04 3.15 3.23 2yw9A1 PHE 77 HB3 -0.08 0.09 -0.01 -0.04 3.06 3.02 2yw9A1 PHE 77 HD2 -0.06 0.18 -0.05 -0.04 7.28 7.30 2yw9A1 PHE 77 HE2 -0.03 -0.04 -0.10 -0.04 7.38 7.17 2yw9A1 PHE 77 HZ -0.01 -0.02 -0.06 -0.04 7.32 7.19 2yw9A1 ALA 78 H -0.02 0.47 -0.21 -0.55 8.40 8.09 2yw9A1 ALA 78 HA -0.02 0.09 0.59 -0.75 4.34 4.24 2yw9A1 ALA 78 HB3 -0.02 0.01 0.09 -0.04 1.41 1.45 2yw9A1 GLY 79 H -0.23 0.55 -0.15 -0.55 8.43 8.05 2yw9A1 GLY 79 HA2 -0.05 0.00 0.43 -0.51 4.01 3.88 2yw9A1 GLY 79 HA3 -0.31 0.04 0.31 -0.51 4.01 3.54 2yw9A1 VAL 80 H -0.64 0.61 -0.10 -0.55 8.24 7.56 2yw9A1 VAL 80 HA -0.40 0.00 0.38 -0.75 4.13 3.36 2yw9A1 VAL 80 HB -0.38 0.05 0.08 -0.04 2.12 1.82 2yw9A1 VAL 80 HG13 -0.04 0.01 -0.24 -0.04 0.97 0.66 2yw9A1 VAL 80 HG23 -0.65 0.01 -0.07 -0.04 0.95 0.20 2yw9A1 LYS 81 H -0.10 0.49 -0.32 -0.55 8.42 7.93 2yw9A1 LYS 81 HA 0.03 0.07 0.27 -0.75 4.32 3.94 2yw9A1 LYS 81 HB2 0.02 0.08 0.10 -0.04 1.87 2.03 2yw9A1 LYS 81 HB3 -0.01 0.05 0.16 -0.04 1.79 1.94 2yw9A1 LYS 81 HG2 0.01 -0.04 -0.21 -0.04 1.46 1.18 2yw9A1 LYS 81 HG3 0.03 0.13 0.00 -0.04 1.46 1.58 2yw9A1 LYS 81 HD2 0.02 0.01 -0.03 -0.04 1.69 1.65 2yw9A1 LYS 81 HD3 0.01 -0.08 -0.01 -0.04 1.68 1.56 2yw9A1 LYS 81 HE2 0.01 -0.04 -0.01 -0.04 2.99 2.90 2yw9A1 LYS 81 HE3 0.01 0.12 0.01 -0.04 2.99 3.09 2yw9A1 GLU 82 H -0.04 0.52 -0.19 -0.55 8.60 8.34 2yw9A1 GLU 82 HA 0.01 0.01 0.38 -0.75 4.29 3.94 2yw9A1 GLU 82 HB2 -0.00 0.02 0.13 -0.04 2.09 2.20 2yw9A1 GLU 82 HB3 0.00 0.07 0.17 -0.04 1.99 2.19 2yw9A1 GLU 82 HG2 0.01 -0.08 0.00 -0.04 2.34 2.23 2yw9A1 GLU 82 HG3 0.02 0.01 -0.13 -0.04 2.34 2.20 2yw9A1 ALA 83 H -0.04 0.52 -0.17 -0.55 8.40 8.16 2yw9A1 ALA 83 HA 0.02 0.03 0.44 -0.75 4.34 4.07 2yw9A1 ALA 83 HB3 -0.13 -0.03 0.06 -0.04 1.41 1.26 2yw9A1 PHE 84 H 0.06 0.43 -0.15 -0.55 8.34 8.14 2yw9A1 PHE 84 HA 0.02 0.15 1.01 -0.75 4.62 5.04 2yw9A1 PHE 84 HB2 0.01 0.21 0.08 -0.04 3.15 3.40 2yw9A1 PHE 84 HB3 -0.00 -0.01 0.07 -0.04 3.06 3.08 2yw9A1 PHE 84 HD2 0.02 0.16 -0.13 -0.04 7.28 7.29 2yw9A1 PHE 84 HE2 0.04 0.02 -0.10 -0.04 7.38 7.30 2yw9A1 PHE 84 HZ 0.04 -0.05 -0.31 -0.04 7.32 6.95 2yw9A1 GLY 85 H 0.10 0.55 0.07 -0.55 8.43 8.61 2yw9A1 GLY 85 HA2 0.05 0.01 0.44 -0.51 4.01 4.00 2yw9A1 GLY 85 HA3 0.06 0.05 0.66 -0.51 4.01 4.27 2yw9A1 GLY 86 H 0.09 0.35 -0.50 -0.55 8.43 7.82 2yw9A1 GLY 86 HA2 0.05 0.12 0.54 -0.51 4.01 4.21 2yw9A1 GLY 86 HA3 0.02 0.04 0.39 -0.51 4.01 3.95 2yw9A1 LEU 87 H 0.01 0.75 0.23 -0.55 8.37 8.81 2yw9A1 LEU 87 HA 0.00 0.05 0.60 -0.75 4.35 4.25 2yw9A1 LEU 87 HB2 0.11 0.01 -0.36 -0.04 1.64 1.36 2yw9A1 LEU 87 HB3 0.07 0.02 -0.25 -0.04 1.64 1.44 2yw9A1 LEU 87 HG 0.05 0.01 -0.22 -0.04 1.64 1.44 2yw9A1 LEU 87 HD13 0.14 -0.02 -0.17 -0.04 0.93 0.83 2yw9A1 LEU 87 HD23 0.16 -0.02 -0.14 -0.04 0.89 0.84 2yw9A1 ASP 88 H -0.19 0.55 0.35 -0.55 8.40 8.57 2yw9A1 ASP 88 HA -0.24 0.17 1.08 -0.75 4.63 4.89 2yw9A1 ASP 88 HB2 -0.78 0.02 0.23 -0.04 2.71 2.13 2yw9A1 ASP 88 HB3 -1.18 0.08 0.04 -0.04 2.70 1.60 2yw9A1 TYR 89 H -0.15 0.43 0.46 -0.55 8.29 8.47 2yw9A1 TYR 89 HA 0.01 0.43 1.19 -0.75 4.56 5.44 2yw9A1 TYR 89 HB2 0.00 -0.15 0.02 -0.04 3.06 2.89 2yw9A1 TYR 89 HB3 0.00 -0.01 -0.03 -0.04 2.98 2.90 2yw9A1 TYR 89 HD2 -0.02 0.02 -0.15 -0.04 7.15 6.95 2yw9A1 TYR 89 HE2 -0.04 0.18 -0.09 -0.04 6.85 6.87 2yw9A1 LEU 90 H 0.15 0.65 0.39 -0.55 8.37 9.01 2yw9A1 LEU 90 HA 0.12 0.26 1.01 -0.75 4.35 4.99 2yw9A1 LEU 90 HB2 0.14 0.06 -0.07 -0.04 1.64 1.72 2yw9A1 LEU 90 HB3 0.11 -0.04 0.17 -0.04 1.64 1.84 2yw9A1 LEU 90 HG 0.13 0.10 0.02 -0.04 1.64 1.85 2yw9A1 LEU 90 HD13 0.28 -0.00 -0.09 -0.04 0.93 1.08 2yw9A1 LEU 90 HD23 0.15 -0.05 -0.29 -0.04 0.89 0.66 2yw9A1 VAL 91 H 0.09 0.68 0.35 -0.55 8.24 8.81 2yw9A1 VAL 91 HA 0.08 0.25 1.04 -0.75 4.13 4.74 2yw9A1 VAL 91 HB 0.05 -0.12 0.21 -0.04 2.12 2.22 2yw9A1 VAL 91 HG13 0.03 -0.02 -0.15 -0.04 0.97 0.80 2yw9A1 VAL 91 HG23 0.03 0.02 -0.17 -0.04 0.95 0.79 2yw9A1 HIS 92 H 0.15 0.96 0.41 -0.55 8.41 9.39 2yw9A1 HIS 92 HA 0.04 0.03 0.89 -0.75 4.63 4.84 2yw9A1 HIS 92 HB2 0.03 0.05 0.01 -0.04 3.26 3.32 2yw9A1 HIS 92 HB3 0.03 0.06 0.26 -0.04 3.20 3.50 2yw9A1 HIS 92 HD2 0.02 0.04 -0.15 -0.04 6.97 6.84 2yw9A1 HIS 92 HE1 0.02 0.29 0.07 -0.04 7.75 8.08 2yw9A1 ALA 93 H -0.12 0.64 0.20 -0.55 8.40 8.57 2yw9A1 ALA 93 HA -0.02 0.17 0.93 -0.75 4.34 4.67 2yw9A1 ALA 93 HB3 0.01 -0.02 0.03 -0.04 1.41 1.39 2yw9A1 ILE 94 H -0.65 0.11 -0.13 -0.55 8.25 7.04 2yw9A1 ILE 94 HA -0.08 0.05 0.67 -0.75 4.18 4.07 2yw9A1 ILE 94 HB -0.31 0.12 0.08 -0.04 1.89 1.73 2yw9A1 ILE 94 HG12 -0.10 -0.09 -0.12 -0.04 1.49 1.14 2yw9A1 ILE 94 HG13 -0.31 -0.07 -0.18 -0.04 1.21 0.60 2yw9A1 ILE 94 HG23 -0.01 -0.03 -0.12 -0.04 0.93 0.74 2yw9A1 ILE 94 HD13 -0.07 0.01 -0.07 -0.04 0.88 0.70 2yw9A1 ALA 95 H 0.03 0.24 0.19 -0.55 8.40 8.32 2yw9A1 ALA 95 HA 0.07 0.12 0.60 -0.75 4.34 4.38 2yw9A1 ALA 95 HB3 0.04 0.02 -0.04 -0.04 1.41 1.40 2yw9A1 PHE 96 H 0.11 0.30 0.08 -0.55 8.34 8.28 2yw9A1 PHE 96 HA -0.01 0.10 0.59 -0.75 4.62 4.55 2yw9A1 PHE 96 HB2 -0.00 0.11 -0.13 -0.04 3.15 3.09 2yw9A1 PHE 96 HB3 0.00 -0.04 -0.10 -0.04 3.06 2.88 2yw9A1 PHE 96 HD2 -0.00 0.04 -0.10 -0.04 7.28 7.18 2yw9A1 PHE 96 HE2 0.00 -0.01 -0.09 -0.04 7.38 7.24 2yw9A1 PHE 96 HZ 0.01 -0.06 -0.08 -0.04 7.32 7.14 2yw9A1 ALA 97 H -0.68 0.33 0.13 -0.55 8.40 7.64 2yw9A1 ALA 97 HA -0.46 0.12 0.55 -0.75 4.34 3.80 2yw9A1 ALA 97 HB3 -0.21 0.02 -0.02 -0.04 1.41 1.16 2yw9A1 PRO 98 HA -0.22 0.10 0.43 -0.51 4.44 4.24 2yw9A1 PRO 98 HB2 -0.04 -0.15 0.06 -0.04 2.28 2.11 2yw9A1 PRO 98 HB3 0.02 0.07 0.14 -0.04 2.02 2.21 2yw9A1 PRO 98 HG2 0.01 -0.03 0.18 -0.04 2.03 2.16 2yw9A1 PRO 98 HG3 0.07 0.10 0.09 -0.04 2.03 2.24 2yw9A1 PRO 98 HD2 -0.15 0.11 0.18 -0.04 3.68 3.78 2yw9A1 PRO 98 HD3 -0.26 0.18 0.12 -0.04 3.65 3.65 2yw9A1 ARG 99 H -0.02 0.16 0.20 -0.55 8.46 8.26 2yw9A1 ARG 99 HA -0.07 0.17 0.41 -0.75 4.34 4.09 2yw9A1 GLU 100 H -0.01 0.02 -0.13 -0.55 8.60 7.94 2yw9A1 GLU 100 HA -0.00 0.16 0.46 -0.75 4.29 4.16 2yw9A1 ALA 101 H -0.03 0.08 -0.37 -0.55 8.40 7.53 2yw9A1 ALA 101 HA 0.03 0.09 0.44 -0.75 4.34 4.15 2yw9A1 ALA 101 HB3 0.00 -0.01 -0.01 -0.04 1.41 1.35 2yw9A1 MET 102 H -0.05 0.25 -0.29 -0.55 8.47 7.83 2yw9A1 MET 102 HA -0.02 0.02 0.37 -0.75 4.52 4.13 2yw9A1 MET 102 HB2 -0.08 0.05 0.03 -0.04 2.15 2.11 2yw9A1 MET 102 HB3 -0.10 0.04 0.06 -0.04 2.03 2.00 2yw9A1 MET 102 HG2 -0.13 0.05 -0.14 -0.04 2.63 2.37 2yw9A1 MET 102 HG3 -0.15 0.00 -0.05 -0.04 2.56 2.32 2yw9A1 MET 102 HE3 -0.24 0.06 0.03 -0.04 2.10 1.91 2yw9A1 GLU 103 H -0.01 0.17 -0.44 -0.55 8.60 7.77 2yw9A1 GLU 103 HA -0.01 0.09 0.87 -0.75 4.29 4.48 2yw9A1 GLY 104 H 0.01 0.11 0.11 -0.55 8.43 8.12 2yw9A1 GLY 104 HA2 0.02 -0.01 0.29 -0.51 4.01 3.80 2yw9A1 GLY 104 HA3 0.02 0.15 0.66 -0.51 4.01 4.33 2yw9A1 ARG 105 H 0.03 0.14 0.14 -0.55 8.46 8.21 2yw9A1 ARG 105 HA 0.08 0.12 0.63 -0.75 4.34 4.41 2yw9A1 ARG 105 HB2 0.03 -0.02 0.04 -0.04 1.90 1.91 2yw9A1 ARG 105 HB3 0.06 -0.06 0.10 -0.04 1.80 1.87 2yw9A1 ARG 105 HG2 0.04 0.05 0.01 -0.04 1.67 1.73 2yw9A1 ARG 105 HG3 0.03 -0.06 0.00 -0.04 1.67 1.61 2yw9A1 ARG 105 HD2 0.02 0.05 0.02 -0.04 3.22 3.26 2yw9A1 ARG 105 HD3 0.02 -0.01 0.02 -0.04 3.22 3.20 2yw9A1 TYR 106 H 0.21 0.15 0.19 -0.55 8.29 8.28 2yw9A1 TYR 106 HA 0.08 0.12 0.45 -0.75 4.56 4.45 2yw9A1 TYR 106 HB2 0.07 -0.06 0.14 -0.04 3.06 3.17 2yw9A1 TYR 106 HB3 0.06 0.01 0.12 -0.04 2.98 3.14 2yw9A1 TYR 106 HD2 0.11 -0.04 -0.06 -0.04 7.15 7.11 2yw9A1 TYR 106 HE2 0.26 0.01 -0.05 -0.04 6.85 7.02 2yw9A1 ILE 107 H 0.06 0.06 -0.14 -0.55 8.25 7.68 2yw9A1 ILE 107 HA -0.24 0.12 0.38 -0.75 4.18 3.69 2yw9A1 ILE 107 HB 0.02 -0.01 0.09 -0.04 1.89 1.94 2yw9A1 ILE 107 HG12 -0.05 0.03 0.03 -0.04 1.49 1.46 2yw9A1 ILE 107 HG13 -0.07 0.02 0.11 -0.04 1.21 1.23 2yw9A1 ILE 107 HG23 0.01 -0.01 -0.09 -0.04 0.93 0.79 2yw9A1 ILE 107 HD13 -0.01 0.01 0.01 -0.04 0.88 0.85 2yw9A1 ASP 108 H -0.03 0.27 -0.68 -0.55 8.40 7.41 2yw9A1 ASP 108 HA -0.05 0.18 0.72 -0.75 4.63 4.72 2yw9A1 ASP 108 HB2 0.00 0.11 0.07 -0.04 2.71 2.85 2yw9A1 ASP 108 HB3 -0.01 -0.01 0.14 -0.04 2.70 2.77 2yw9A1 THR 109 H -0.11 0.42 -0.24 -0.55 8.28 7.80 2yw9A1 THR 109 HA 0.04 -0.00 0.43 -0.75 4.39 4.10 2yw9A1 THR 109 HB 0.04 0.01 0.07 -0.04 4.32 4.39 2yw9A1 THR 109 HG23 0.25 -0.02 -0.00 -0.04 1.22 1.40 2yw9A1 ARG 110 H 0.04 0.04 0.18 -0.55 8.46 8.18 2yw9A1 ARG 110 HA -0.01 0.24 0.64 -0.75 4.34 4.45 2yw9A1 ARG 111 H -0.01 0.25 0.17 -0.55 8.46 8.32 2yw9A1 ARG 111 HA -0.00 0.15 0.34 -0.75 4.34 4.07 2yw9A1 ARG 111 HB2 -0.04 0.12 0.16 -0.04 1.90 2.10 2yw9A1 ARG 111 HB3 0.00 -0.06 0.17 -0.04 1.80 1.88 2yw9A1 ARG 111 HG2 0.03 -0.05 -0.18 -0.04 1.67 1.42 2yw9A1 ARG 111 HG3 -0.03 0.04 0.03 -0.04 1.67 1.67 2yw9A1 ARG 111 HD2 -0.01 -0.01 0.01 -0.04 3.22 3.17 2yw9A1 ARG 111 HD3 -0.02 0.04 -0.01 -0.04 3.22 3.20 2yw9A1 GLN 112 H 0.05 0.12 -0.08 -0.55 8.47 8.02 2yw9A1 GLN 112 HA 0.09 0.00 0.38 -0.75 4.36 4.08 2yw9A1 GLN 112 HB2 0.06 0.00 0.03 -0.04 2.15 2.20 2yw9A1 GLN 112 HB3 0.05 0.00 0.08 -0.04 2.02 2.11 2yw9A1 GLN 112 HG2 0.04 0.01 0.05 -0.04 2.40 2.46 2yw9A1 GLN 112 HG3 0.05 -0.12 -0.02 -0.04 2.39 2.26 2yw9A1 GLN 112 HE21 0.03 0.05 -0.01 -0.04 6.97 7.00 2yw9A1 GLN 112 HE22 0.03 -0.03 -0.01 -0.04 7.69 7.64 2yw9A1 ASP 113 H 0.09 0.13 -0.26 -0.55 8.40 7.81 2yw9A1 ASP 113 HA 0.07 0.08 0.60 -0.75 4.63 4.62 2yw9A1 ASP 113 HB2 0.09 0.11 0.15 -0.04 2.71 3.02 2yw9A1 ASP 113 HB3 0.04 -0.00 0.02 -0.04 2.70 2.72 2yw9A1 TRP 114 H 0.28 0.70 -0.05 -0.55 7.97 8.35 2yw9A1 TRP 114 HA 0.04 -0.00 0.41 -0.75 4.62 4.31 2yw9A1 TRP 114 HB2 -0.01 0.07 -0.02 -0.04 3.23 3.23 2yw9A1 TRP 114 HB3 0.00 0.11 0.09 -0.04 3.23 3.39 2yw9A1 TRP 114 HD1 0.02 -0.01 0.00 -0.04 7.22 7.20 2yw9A1 TRP 114 HE1 0.36 0.01 -0.03 -0.04 10.20 10.50 2yw9A1 TRP 114 HE3 0.02 0.01 -0.33 -0.04 7.59 7.26 2yw9A1 TRP 114 HZ2 0.11 0.03 -0.04 -0.04 7.44 7.50 2yw9A1 TRP 114 HZ3 0.02 0.01 -0.06 -0.04 7.13 7.06 2yw9A1 TRP 114 HH2 0.04 0.04 -0.04 -0.04 7.19 7.19 2yw9A1 LEU 115 H 0.33 0.50 -0.11 -0.55 8.37 8.54 2yw9A1 LEU 115 HA 0.27 0.07 0.37 -0.75 4.35 4.32 2yw9A1 LEU 115 HB2 0.16 -0.03 0.14 -0.04 1.64 1.87 2yw9A1 LEU 115 HB3 0.14 0.00 0.02 -0.04 1.64 1.75 2yw9A1 LEU 115 HG 0.36 0.05 0.07 -0.04 1.64 2.08 2yw9A1 LEU 115 HD13 0.09 -0.02 -0.07 -0.04 0.93 0.89 2yw9A1 LEU 115 HD23 0.27 0.01 -0.00 -0.04 0.89 1.13 2yw9A1 LEU 116 H 0.11 0.38 -0.26 -0.55 8.37 8.05 2yw9A1 LEU 116 HA 0.09 0.03 0.40 -0.75 4.35 4.10 2yw9A1 LEU 116 HB2 0.10 0.13 0.21 -0.04 1.64 2.03 2yw9A1 LEU 116 HB3 0.10 0.04 0.20 -0.04 1.64 1.95 2yw9A1 LEU 116 HG 0.28 -0.02 -0.13 -0.04 1.64 1.73 2yw9A1 LEU 116 HD13 0.10 -0.01 0.05 -0.04 0.93 1.02 2yw9A1 LEU 116 HD23 0.20 -0.02 -0.00 -0.04 0.89 1.03 2yw9A1 ALA 117 H -0.02 0.57 -0.10 -0.55 8.40 8.31 2yw9A1 ALA 117 HA -0.02 0.19 0.54 -0.75 4.34 4.30 2yw9A1 ALA 117 HB3 -0.17 0.01 0.16 -0.04 1.41 1.37 2yw9A1 LEU 118 H -0.21 0.47 -0.16 -0.55 8.37 7.92 2yw9A1 LEU 118 HA -0.14 0.04 0.56 -0.75 4.35 4.06 2yw9A1 LEU 118 HB2 -0.38 0.13 0.16 -0.04 1.64 1.51 2yw9A1 LEU 118 HB3 -0.16 -0.02 0.02 -0.04 1.64 1.44 2yw9A1 LEU 118 HG -0.33 -0.06 0.03 -0.04 1.64 1.24 2yw9A1 LEU 118 HD13 -1.42 -0.02 -0.02 -0.04 0.93 -0.57 2yw9A1 LEU 118 HD23 -0.32 0.01 -0.04 -0.04 0.89 0.50 2yw9A1 GLU 119 H 0.02 0.49 -0.19 -0.55 8.60 8.37 2yw9A1 GLU 119 HA 0.12 0.01 0.53 -0.75 4.29 4.19 2yw9A1 GLU 119 HB2 0.05 0.12 0.14 -0.04 2.09 2.36 2yw9A1 GLU 119 HB3 0.09 0.04 0.19 -0.04 1.99 2.26 2yw9A1 GLU 119 HG2 0.14 -0.01 -0.14 -0.04 2.34 2.29 2yw9A1 GLU 119 HG3 0.05 -0.00 0.04 -0.04 2.34 2.39 2yw9A1 VAL 120 H 0.11 0.63 0.02 -0.55 8.24 8.45 2yw9A1 VAL 120 HA 0.11 0.03 0.33 -0.75 4.13 3.85 2yw9A1 VAL 120 HB 0.22 0.15 0.10 -0.04 2.12 2.55 2yw9A1 VAL 120 HG13 0.10 -0.03 -0.18 -0.04 0.97 0.82 2yw9A1 VAL 120 HG23 0.13 0.00 -0.01 -0.04 0.95 1.03 2yw9A1 SER 121 H 0.07 0.45 -0.14 -0.55 8.46 8.30 2yw9A1 SER 121 HA 0.12 0.20 0.46 -0.75 4.49 4.52 2yw9A1 SER 121 HB2 0.00 0.08 0.13 -0.04 3.95 4.12 2yw9A1 SER 121 HB3 0.05 -0.01 0.10 -0.04 3.93 4.03 2yw9A1 ALA 122 H 0.06 0.29 -0.13 -0.55 8.40 8.08 2yw9A1 ALA 122 HA 0.02 0.24 1.06 -0.75 4.34 4.91 2yw9A1 ALA 122 HB3 0.00 0.06 0.04 -0.04 1.41 1.46 2yw9A1 TYR 123 H 0.15 0.52 0.28 -0.55 8.29 8.69 2yw9A1 TYR 123 HA -0.01 0.05 0.40 -0.75 4.56 4.24 2yw9A1 TYR 123 HB2 0.01 -0.01 0.14 -0.04 3.06 3.16 2yw9A1 TYR 123 HB3 0.02 0.14 0.23 -0.04 2.98 3.33 2yw9A1 TYR 123 HD2 0.01 0.05 -0.03 -0.04 7.15 7.14 2yw9A1 TYR 123 HE2 0.00 0.02 -0.03 -0.04 6.85 6.80 2yw9A1 SER 124 H 0.10 0.29 -0.34 -0.55 8.46 7.96 2yw9A1 SER 124 HA -0.07 0.03 0.36 -0.75 4.49 4.07 2yw9A1 SER 124 HB2 0.14 -0.11 0.02 -0.04 3.95 3.96 2yw9A1 SER 124 HB3 0.12 0.03 0.09 -0.04 3.93 4.13 2yw9A1 LEU 125 H -0.13 0.37 -0.48 -0.55 8.37 7.58 2yw9A1 LEU 125 HA -0.31 0.03 0.38 -0.75 4.35 3.70 2yw9A1 LEU 125 HB2 -0.81 0.01 0.05 -0.04 1.64 0.85 2yw9A1 LEU 125 HB3 -0.25 0.16 0.10 -0.04 1.64 1.61 2yw9A1 LEU 125 HG -0.17 -0.00 -0.31 -0.04 1.64 1.12 2yw9A1 LEU 125 HD13 -0.25 -0.01 -0.05 -0.04 0.93 0.59 2yw9A1 LEU 125 HD23 -0.13 0.00 -0.10 -0.04 0.89 0.62 2yw9A1 VAL 126 H -0.25 0.25 -0.13 -0.55 8.24 7.55 2yw9A1 VAL 126 HA -0.14 0.07 0.42 -0.75 4.13 3.72 2yw9A1 VAL 126 HB -0.60 0.11 0.17 -0.04 2.12 1.76 2yw9A1 VAL 126 HG13 -0.05 -0.01 -0.07 -0.04 0.97 0.81 2yw9A1 VAL 126 HG23 -0.04 0.01 0.05 -0.04 0.95 0.93 2yw9A1 ALA 127 H -0.58 0.53 -0.11 -0.55 8.40 7.70 2yw9A1 ALA 127 HA -0.24 0.01 0.28 -0.75 4.34 3.65 2yw9A1 ALA 127 HB3 -0.26 0.00 0.04 -0.04 1.41 1.15 2yw9A1 VAL 128 H -0.10 0.57 -0.17 -0.55 8.24 7.99 2yw9A1 VAL 128 HA -0.12 0.05 0.50 -0.75 4.13 3.81 2yw9A1 VAL 128 HB 0.31 -0.01 0.00 -0.04 2.12 2.38 2yw9A1 VAL 128 HG13 0.15 0.01 -0.03 -0.04 0.97 1.07 2yw9A1 VAL 128 HG23 0.10 0.05 -0.05 -0.04 0.95 1.00 2yw9A1 ALA 129 H -0.12 0.42 -0.30 -0.55 8.40 7.85 2yw9A1 ALA 129 HA -0.06 0.07 0.47 -0.75 4.34 4.06 2yw9A1 ALA 129 HB3 -0.07 0.03 0.07 -0.04 1.41 1.39 2yw9A1 ARG 130 H -0.15 0.51 -0.10 -0.55 8.46 8.16 2yw9A1 ARG 130 HA -0.10 0.07 0.38 -0.75 4.34 3.93 2yw9A1 ARG 130 HB2 -0.09 0.03 0.09 -0.04 1.90 1.89 2yw9A1 ARG 130 HB3 -0.13 0.04 0.07 -0.04 1.80 1.74 2yw9A1 ARG 130 HG2 -0.09 0.02 -0.15 -0.04 1.67 1.42 2yw9A1 ARG 130 HG3 -0.06 0.00 0.02 -0.04 1.67 1.59 2yw9A1 ARG 130 HD2 -0.03 -0.02 -0.03 -0.04 3.22 3.10 2yw9A1 ARG 130 HD3 -0.03 -0.03 -0.03 -0.04 3.22 3.09 2yw9A1 ARG 131 H -0.36 0.26 -0.30 -0.55 8.46 7.51 2yw9A1 ARG 131 HA -0.31 0.08 0.44 -0.75 4.34 3.79 2yw9A1 ARG 131 HB2 -1.15 0.05 0.05 -0.04 1.90 0.80 2yw9A1 ARG 131 HB3 -0.96 -0.02 -0.00 -0.04 1.80 0.78 2yw9A1 ARG 131 HG2 -0.19 -0.03 -0.05 -0.04 1.67 1.35 2yw9A1 ARG 131 HG3 -0.23 0.01 -0.02 -0.04 1.67 1.39 2yw9A1 ARG 131 HD2 -0.14 0.06 -0.12 -0.04 3.22 2.98 2yw9A1 ARG 131 HD3 -0.05 0.06 -0.34 -0.04 3.22 2.84 2yw9A1 ALA 132 H -0.42 0.30 -0.38 -0.55 8.40 7.36 2yw9A1 ALA 132 HA 0.00 0.04 0.53 -0.75 4.34 4.15 2yw9A1 ALA 132 HB3 0.10 -0.01 0.02 -0.04 1.41 1.48 2yw9A1 GLU 133 H -0.13 0.36 -0.30 -0.55 8.60 7.98 2yw9A1 GLU 133 HA -0.04 0.02 0.24 -0.75 4.29 3.75 2yw9A1 GLU 133 HB2 -0.07 0.02 0.10 -0.04 2.09 2.10 2yw9A1 GLU 133 HB3 -0.08 0.12 0.12 -0.04 1.99 2.12 2yw9A1 GLU 133 HG2 -0.04 0.01 -0.29 -0.04 2.34 1.98 2yw9A1 GLU 133 HG3 -0.04 0.01 0.00 -0.04 2.34 2.27 2yw9A1 PRO 134 HA -0.02 0.11 0.49 -0.51 4.44 4.50 2yw9A1 PRO 134 HB2 -0.02 0.02 -0.07 -0.04 2.28 2.17 2yw9A1 PRO 134 HB3 -0.02 -0.04 0.08 -0.04 2.02 1.99 2yw9A1 PRO 134 HG2 -0.06 -0.01 0.01 -0.04 2.03 1.93 2yw9A1 PRO 134 HG3 -0.05 -0.03 0.02 -0.04 2.03 1.93 2yw9A1 PRO 134 HD2 -0.10 0.29 -0.39 -0.04 3.68 3.44 2yw9A1 PRO 134 HD3 -0.09 0.25 0.02 -0.04 3.65 3.78 2yw9A1 LEU 135 H 0.00 0.34 -0.40 -0.55 8.37 7.76 2yw9A1 LEU 135 HA 0.02 0.12 0.70 -0.75 4.35 4.44 2yw9A1 LEU 135 HB2 0.11 0.10 0.01 -0.04 1.64 1.81 2yw9A1 LEU 135 HB3 0.08 -0.13 -0.13 -0.04 1.64 1.41 2yw9A1 LEU 135 HG 0.09 0.10 -0.03 -0.04 1.64 1.76 2yw9A1 LEU 135 HD13 0.21 0.00 -0.12 -0.04 0.93 0.98 2yw9A1 LEU 135 HD23 0.04 0.01 -0.13 -0.04 0.89 0.76 2yw9A1 LEU 136 H 0.00 0.33 -0.14 -0.55 8.37 8.01 2yw9A1 LEU 136 HA -0.01 0.21 0.47 -0.75 4.35 4.27 2yw9A1 LEU 136 HB2 -0.01 0.07 0.06 -0.04 1.64 1.72 2yw9A1 LEU 136 HB3 -0.01 0.05 -0.09 -0.04 1.64 1.55 2yw9A1 LEU 136 HG 0.04 0.04 -0.18 -0.04 1.64 1.50 2yw9A1 LEU 136 HD13 0.01 -0.04 -0.27 -0.04 0.93 0.59 2yw9A1 LEU 136 HD23 0.02 0.00 -0.33 -0.04 0.89 0.54 2yw9A1 ARG 137 H -0.05 0.40 0.40 -0.55 8.46 8.66 2yw9A1 ARG 137 HA -0.03 0.09 0.63 -0.75 4.34 4.28 2yw9A1 ARG 137 HB2 -0.07 0.03 0.08 -0.04 1.90 1.90 2yw9A1 ARG 137 HB3 -0.04 -0.09 0.17 -0.04 1.80 1.79 2yw9A1 ARG 137 HG2 -0.03 -0.03 0.04 -0.04 1.67 1.61 2yw9A1 ARG 137 HG3 -0.04 0.12 0.16 -0.04 1.67 1.87 2yw9A1 ARG 137 HD2 -0.10 -0.03 -0.09 -0.04 3.22 2.96 2yw9A1 ARG 137 HD3 -0.06 -0.01 0.01 -0.04 3.22 3.11 2yw9A1 GLU 138 H -0.02 0.02 0.19 -0.55 8.60 8.24 2yw9A1 GLU 138 HA -0.02 0.20 0.52 -0.75 4.29 4.24 2yw9A1 GLY 139 H -0.01 0.34 0.36 -0.55 8.43 8.58 2yw9A1 GLY 139 HA2 0.00 0.00 0.46 -0.51 4.01 3.96 2yw9A1 GLY 139 HA3 -0.00 -0.04 0.62 -0.51 4.01 4.08 2yw9A1 GLY 140 H -0.02 0.33 -0.17 -0.55 8.43 8.02 2yw9A1 GLY 140 HA2 -0.03 0.03 0.61 -0.51 4.01 4.11 2yw9A1 GLY 140 HA3 -0.02 0.02 0.40 -0.51 4.01 3.90 2yw9A1 GLY 141 H 0.12 0.60 0.46 -0.55 8.43 9.07 2yw9A1 GLY 141 HA2 0.05 0.18 0.92 -0.51 4.01 4.65 2yw9A1 GLY 141 HA3 0.09 0.06 0.31 -0.51 4.01 3.96 2yw9A1 ILE 142 H 0.03 0.73 0.42 -0.55 8.25 8.89 2yw9A1 ILE 142 HA 0.07 0.19 1.07 -0.75 4.18 4.75 2yw9A1 ILE 142 HB 0.02 -0.05 0.16 -0.04 1.89 1.98 2yw9A1 ILE 142 HG12 0.06 0.01 -0.07 -0.04 1.49 1.45 2yw9A1 ILE 142 HG13 0.03 0.05 -0.30 -0.04 1.21 0.96 2yw9A1 ILE 142 HG23 0.03 -0.02 -0.07 -0.04 0.93 0.83 2yw9A1 ILE 142 HD13 0.00 -0.01 -0.09 -0.04 0.88 0.74 2yw9A1 VAL 143 H 0.06 0.61 0.41 -0.55 8.24 8.77 2yw9A1 VAL 143 HA 0.02 0.35 1.06 -0.75 4.13 4.80 2yw9A1 VAL 143 HB 0.00 0.09 -0.21 -0.04 2.12 1.96 2yw9A1 VAL 143 HG13 0.02 -0.02 -0.06 -0.04 0.97 0.87 2yw9A1 VAL 143 HG23 0.01 -0.00 -0.09 -0.04 0.95 0.83 2yw9A1 THR 144 H 0.03 0.50 0.44 -0.55 8.28 8.70 2yw9A1 THR 144 HA 0.14 0.34 1.11 -0.75 4.39 5.22 2yw9A1 THR 144 HB 0.04 -0.01 -0.01 -0.04 4.32 4.29 2yw9A1 THR 144 HG23 0.01 0.02 -0.10 -0.04 1.22 1.10 2yw9A1 LEU 145 H 0.13 0.33 0.30 -0.55 8.37 8.58 2yw9A1 LEU 145 HA 0.03 0.23 1.16 -0.75 4.35 5.02 2yw9A1 LEU 145 HB2 0.06 -0.01 0.16 -0.04 1.64 1.81 2yw9A1 LEU 145 HB3 0.05 -0.00 0.07 -0.04 1.64 1.72 2yw9A1 LEU 145 HG 0.05 0.02 -0.29 -0.04 1.64 1.38 2yw9A1 LEU 145 HD13 0.04 -0.03 -0.10 -0.04 0.93 0.80 2yw9A1 LEU 145 HD23 0.03 0.02 -0.02 -0.04 0.89 0.88 2yw9A1 THR 146 H 0.00 0.74 0.42 -0.55 8.28 8.90 2yw9A1 THR 146 HA 0.06 0.16 0.81 -0.75 4.39 4.67 2yw9A1 THR 146 HB 0.00 0.07 -0.20 -0.04 4.32 4.15 2yw9A1 THR 146 HG23 -0.11 -0.01 -0.35 -0.04 1.22 0.71 2yw9A1 TYR 147 H 0.06 0.25 0.20 -0.55 8.29 8.25 2yw9A1 TYR 147 HA -0.04 0.26 0.84 -0.75 4.56 4.87 2yw9A1 TYR 147 HB2 0.01 0.12 -0.16 -0.04 3.06 2.99 2yw9A1 TYR 147 HB3 -0.15 -0.04 -0.01 -0.04 2.98 2.75 2yw9A1 TYR 147 HD2 -0.40 0.20 0.03 -0.04 7.15 6.94 2yw9A1 TYR 147 HE2 -0.18 0.03 0.02 -0.04 6.85 6.68 2yw9A1 TYR 148 H -0.91 0.26 0.10 -0.55 8.29 7.19 2yw9A1 TYR 148 HA -0.11 0.10 0.31 -0.75 4.56 4.11 2yw9A1 TYR 148 HB2 0.12 0.04 0.04 -0.04 3.06 3.21 2yw9A1 TYR 148 HB3 -0.50 0.01 0.10 -0.04 2.98 2.55 2yw9A1 TYR 148 HD2 -0.02 -0.02 -0.02 -0.04 7.15 7.04 2yw9A1 TYR 148 HE2 0.06 0.07 -0.06 -0.04 6.85 6.88 2yw9A1 ALA 149 H -0.48 0.03 -0.36 -0.55 8.40 7.04 2yw9A1 ALA 149 HA -0.32 0.36 0.50 -0.75 4.34 4.12 2yw9A1 ALA 149 HB3 -0.25 -0.02 0.05 -0.04 1.41 1.14 2yw9A1 SER 150 H -0.11 0.34 -0.32 -0.55 8.46 7.82 2yw9A1 SER 150 HA -0.06 0.18 0.49 -0.75 4.49 4.35 2yw9A1 SER 150 HB2 -0.02 -0.02 -0.10 -0.04 3.95 3.77 2yw9A1 SER 150 HB3 -0.02 -0.10 -0.01 -0.04 3.93 3.75 2yw9A1 GLU 151 H -0.11 0.27 -0.19 -0.55 8.60 8.02 2yw9A1 GLU 151 HA -0.03 0.16 0.74 -0.75 4.29 4.41 2yw9A1 GLU 151 HB2 0.04 0.04 0.08 -0.04 2.09 2.21 2yw9A1 GLU 151 HB3 0.04 0.01 -0.01 -0.04 1.99 1.98 2yw9A1 GLU 151 HG2 0.05 -0.11 -0.17 -0.04 2.34 2.07 2yw9A1 GLU 151 HG3 0.16 -0.01 -0.04 -0.04 2.34 2.40 2yw9A1 LYS 152 H -0.36 0.37 0.10 -0.55 8.42 7.98 2yw9A1 LYS 152 HA -0.13 0.18 0.90 -0.75 4.32 4.52 2yw9A1 LYS 152 HB2 -0.89 -0.04 -0.06 -0.04 1.87 0.83 2yw9A1 LYS 152 HB3 -0.20 0.02 -0.02 -0.04 1.79 1.55 2yw9A1 LYS 152 HG2 -0.09 -0.09 -0.27 -0.04 1.46 0.97 2yw9A1 LYS 152 HG3 0.08 0.06 -0.06 -0.04 1.46 1.50 2yw9A1 LYS 152 HD2 -0.02 -0.01 0.00 -0.04 1.69 1.62 2yw9A1 LYS 152 HD3 -0.04 0.12 -0.02 -0.04 1.68 1.69 2yw9A1 LYS 152 HE2 0.04 -0.03 -0.10 -0.04 2.99 2.87 2yw9A1 LYS 152 HE3 0.06 0.05 -0.04 -0.04 2.99 3.01 2yw9A1 VAL 153 H -0.08 0.15 0.09 -0.55 8.24 7.85 2yw9A1 VAL 153 HA -0.07 0.08 0.43 -0.75 4.13 3.82 2yw9A1 VAL 153 HB -0.01 0.02 0.15 -0.04 2.12 2.24 2yw9A1 VAL 153 HG13 0.01 -0.02 -0.16 -0.04 0.97 0.76 2yw9A1 VAL 153 HG23 -0.02 0.02 0.00 -0.04 0.95 0.91 2yw9A1 VAL 154 H -0.03 0.23 0.22 -0.55 8.24 8.11 2yw9A1 VAL 154 HA 0.08 0.25 0.83 -0.75 4.13 4.53 2yw9A1 VAL 154 HB 0.07 -0.11 0.18 -0.04 2.12 2.21 2yw9A1 VAL 154 HG13 0.29 0.03 -0.07 -0.04 0.97 1.17 2yw9A1 VAL 154 HG23 0.01 0.04 -0.16 -0.04 0.95 0.80 2yw9A1 PRO 155 HA 0.08 -0.06 0.44 -0.51 4.44 4.38 2yw9A1 PRO 155 HB2 0.06 0.06 0.01 -0.04 2.28 2.38 2yw9A1 PRO 155 HB3 0.06 0.01 0.09 -0.04 2.02 2.13 2yw9A1 PRO 155 HG2 0.06 0.08 0.06 -0.04 2.03 2.18 2yw9A1 PRO 155 HG3 0.05 0.04 0.01 -0.04 2.03 2.10 2yw9A1 PRO 155 HD2 0.09 0.12 0.16 -0.04 3.68 4.01 2yw9A1 PRO 155 HD3 0.06 0.37 0.03 -0.04 3.65 4.07 2yw9A1 LYS 156 H 0.07 0.08 0.22 -0.55 8.42 8.24 2yw9A1 LYS 156 HA 0.03 0.11 0.38 -0.75 4.32 4.09 2yw9A1 TYR 157 H 0.18 0.31 -0.33 -0.55 8.29 7.90 2yw9A1 TYR 157 HA -0.03 0.17 0.76 -0.75 4.56 4.71 2yw9A1 TYR 157 HB2 0.03 0.36 0.10 -0.04 3.06 3.52 2yw9A1 TYR 157 HB3 0.00 -0.08 -0.04 -0.04 2.98 2.82 2yw9A1 TYR 157 HD2 -0.01 -0.04 -0.09 -0.04 7.15 6.98 2yw9A1 TYR 157 HE2 -0.30 0.01 -0.07 -0.04 6.85 6.46 2yw9A1 ASN 158 H 0.10 -0.00 0.01 -0.55 8.53 8.09 2yw9A1 ASN 158 HA 0.08 0.00 0.33 -0.75 4.76 4.41 2yw9A1 ASN 158 HB2 0.07 0.09 -0.29 -0.04 2.88 2.72 2yw9A1 ASN 158 HB3 0.25 -0.01 0.10 -0.04 2.79 3.09 2yw9A1 ASN 158 HD21 0.06 0.46 -0.34 -0.04 7.03 7.16 2yw9A1 ASN 158 HD22 0.06 0.42 -0.13 -0.04 7.74 8.05 2yw9A1 VAL 159 H 0.15 0.25 0.10 -0.55 8.24 8.19 2yw9A1 VAL 159 HA 0.06 0.05 0.24 -0.75 4.13 3.73 2yw9A1 VAL 159 HB 0.26 0.04 0.11 -0.04 2.12 2.49 2yw9A1 VAL 159 HG13 -0.04 0.02 -0.11 -0.04 0.97 0.80 2yw9A1 VAL 159 HG23 -0.40 -0.00 0.06 -0.04 0.95 0.57 2yw9A1 MET 160 H 0.02 0.45 -0.23 -0.55 8.47 8.17 2yw9A1 MET 160 HA -0.02 0.05 0.44 -0.75 4.52 4.23 2yw9A1 MET 160 HB2 0.09 0.30 0.11 -0.04 2.15 2.61 2yw9A1 MET 160 HB3 0.22 -0.02 -0.06 -0.04 2.03 2.13 2yw9A1 MET 160 HG2 -0.09 -0.02 -0.05 -0.04 2.63 2.42 2yw9A1 MET 160 HG3 -0.06 0.03 -0.06 -0.04 2.56 2.43 2yw9A1 MET 160 HE3 0.05 0.00 -0.01 -0.04 2.10 2.10 2yw9A1 ALA 161 H 0.09 0.46 -0.31 -0.55 8.40 8.09 2yw9A1 ALA 161 HA -0.01 -0.03 0.20 -0.75 4.34 3.75 2yw9A1 ALA 161 HB3 -0.05 0.11 -0.10 -0.04 1.41 1.33 2yw9A1 ILE 162 H -0.11 0.17 -0.31 -0.55 8.25 7.46 2yw9A1 ILE 162 HA -0.05 0.13 0.47 -0.75 4.18 3.98 2yw9A1 ILE 162 HB -0.14 0.11 0.08 -0.04 1.89 1.89 2yw9A1 ILE 162 HG12 -0.28 0.03 -0.00 -0.04 1.49 1.20 2yw9A1 ILE 162 HG13 -0.16 -0.04 -0.04 -0.04 1.21 0.93 2yw9A1 ILE 162 HG23 0.17 0.00 -0.04 -0.04 0.93 1.02 2yw9A1 ILE 162 HD13 -0.29 0.01 -0.09 -0.04 0.88 0.47 2yw9A1 ALA 163 H -0.11 0.55 -0.12 -0.55 8.40 8.17 2yw9A1 ALA 163 HA -0.13 -0.00 0.41 -0.75 4.34 3.87 2yw9A1 ALA 163 HB3 -0.08 0.02 0.04 -0.04 1.41 1.34 2yw9A1 LYS 164 H -0.01 0.58 -0.20 -0.55 8.42 8.24 2yw9A1 LYS 164 HA 0.02 0.09 0.48 -0.75 4.32 4.15 2yw9A1 LYS 164 HB2 0.01 0.12 0.15 -0.04 1.87 2.10 2yw9A1 LYS 164 HB3 0.01 -0.09 0.10 -0.04 1.79 1.78 2yw9A1 LYS 164 HG2 0.07 0.24 0.05 -0.04 1.46 1.78 2yw9A1 LYS 164 HG3 0.09 -0.17 0.05 -0.04 1.46 1.39 2yw9A1 LYS 164 HD2 0.05 -0.03 0.20 -0.04 1.69 1.87 2yw9A1 LYS 164 HD3 0.05 0.03 -0.00 -0.04 1.68 1.71 2yw9A1 LYS 164 HE2 0.09 -0.07 -0.01 -0.04 2.99 2.97 2yw9A1 LYS 164 HE3 0.11 -0.12 -0.04 -0.04 2.99 2.89 2yw9A1 ALA 165 H -0.02 0.43 -0.24 -0.55 8.40 8.02 2yw9A1 ALA 165 HA 0.00 0.02 0.51 -0.75 4.34 4.12 2yw9A1 ALA 165 HB3 -0.00 0.07 0.16 -0.04 1.41 1.59 2yw9A1 ALA 166 H -0.02 0.56 -0.13 -0.55 8.40 8.27 2yw9A1 ALA 166 HA 0.01 0.03 0.50 -0.75 4.34 4.12 2yw9A1 ALA 166 HB3 -0.02 0.02 0.11 -0.04 1.41 1.48 2yw9A1 LEU 167 H -0.00 0.39 -0.26 -0.55 8.37 7.95 2yw9A1 LEU 167 HA -0.02 0.03 0.49 -0.75 4.35 4.10 2yw9A1 LEU 167 HB2 0.01 0.11 0.16 -0.04 1.64 1.88 2yw9A1 LEU 167 HB3 0.01 0.08 0.23 -0.04 1.64 1.92 2yw9A1 LEU 167 HG -0.01 -0.07 -0.18 -0.04 1.64 1.34 2yw9A1 LEU 167 HD13 -0.09 0.02 0.14 -0.04 0.93 0.96 2yw9A1 LEU 167 HD23 0.08 -0.01 0.05 -0.04 0.89 0.97 2yw9A1 GLU 168 H 0.01 0.57 -0.10 -0.55 8.60 8.53 2yw9A1 GLU 168 HA 0.01 0.02 0.27 -0.75 4.29 3.83 2yw9A1 GLU 168 HB2 0.02 0.09 0.10 -0.04 2.09 2.26 2yw9A1 GLU 168 HB3 0.02 -0.01 -0.04 -0.04 1.99 1.92 2yw9A1 GLU 168 HG2 -0.02 -0.06 -0.07 -0.04 2.34 2.15 2yw9A1 GLU 168 HG3 -0.00 0.21 0.07 -0.04 2.34 2.57 2yw9A1 ALA 169 H 0.03 0.42 -0.23 -0.55 8.40 8.07 2yw9A1 ALA 169 HA 0.10 0.06 0.51 -0.75 4.34 4.25 2yw9A1 ALA 169 HB3 0.04 0.03 0.08 -0.04 1.41 1.52 2yw9A1 SER 170 H 0.02 0.43 -0.29 -0.55 8.46 8.09 2yw9A1 SER 170 HA 0.05 -0.02 0.47 -0.75 4.49 4.24 2yw9A1 SER 170 HB2 -0.02 0.24 0.19 -0.04 3.95 4.32 2yw9A1 SER 170 HB3 -0.02 -0.09 0.01 -0.04 3.93 3.78 2yw9A1 VAL 171 H 0.02 0.47 -0.23 -0.55 8.24 7.96 2yw9A1 VAL 171 HA 0.01 -0.01 0.23 -0.75 4.13 3.62 2yw9A1 VAL 171 HB 0.02 0.21 0.06 -0.04 2.12 2.37 2yw9A1 VAL 171 HG13 0.01 -0.01 -0.41 -0.04 0.97 0.52 2yw9A1 VAL 171 HG23 -0.01 0.03 -0.15 -0.04 0.95 0.78 2yw9A1 ARG 172 H 0.09 0.35 -0.35 -0.55 8.46 8.00 2yw9A1 ARG 172 HA 0.04 0.06 0.45 -0.75 4.34 4.13 2yw9A1 ARG 172 HB2 0.13 0.10 0.19 -0.04 1.90 2.28 2yw9A1 ARG 172 HB3 -0.01 -0.04 0.05 -0.04 1.80 1.75 2yw9A1 ARG 172 HG2 0.03 0.15 0.10 -0.04 1.67 1.91 2yw9A1 ARG 172 HG3 0.05 0.12 0.07 -0.04 1.67 1.87 2yw9A1 ARG 172 HD2 0.02 -0.03 0.03 -0.04 3.22 3.19 2yw9A1 ARG 172 HD3 0.03 -0.01 0.02 -0.04 3.22 3.22 2yw9A1 TYR 173 H 0.32 0.46 -0.05 -0.55 8.29 8.47 2yw9A1 TYR 173 HA 0.12 0.03 0.48 -0.75 4.56 4.44 2yw9A1 TYR 173 HB2 0.04 0.09 0.18 -0.04 3.06 3.32 2yw9A1 TYR 173 HB3 0.07 -0.03 0.00 -0.04 2.98 2.98 2yw9A1 TYR 173 HD2 0.06 0.12 0.05 -0.04 7.15 7.34 2yw9A1 TYR 173 HE2 0.00 -0.02 -0.00 -0.04 6.85 6.79 2yw9A1 LEU 174 H 0.13 0.78 -0.07 -0.55 8.37 8.67 2yw9A1 LEU 174 HA 0.05 0.00 0.49 -0.75 4.35 4.14 2yw9A1 LEU 174 HB2 0.02 0.09 0.03 -0.04 1.64 1.74 2yw9A1 LEU 174 HB3 0.00 -0.01 -0.05 -0.04 1.64 1.54 2yw9A1 LEU 174 HG 0.03 0.11 -0.01 -0.04 1.64 1.74 2yw9A1 LEU 174 HD13 -0.05 -0.03 -0.21 -0.04 0.93 0.60 2yw9A1 LEU 174 HD23 -0.00 -0.02 -0.05 -0.04 0.89 0.78 2yw9A1 ALA 175 H 0.06 0.50 -0.25 -0.55 8.40 8.16 2yw9A1 ALA 175 HA 0.01 0.03 0.40 -0.75 4.34 4.04 2yw9A1 ALA 175 HB3 0.03 0.05 0.18 -0.04 1.41 1.63 2yw9A1 TYR 176 H 0.13 0.39 -0.19 -0.55 8.29 8.07 2yw9A1 TYR 176 HA -0.04 0.05 0.51 -0.75 4.56 4.32 2yw9A1 TYR 176 HB2 -0.12 -0.03 0.12 -0.04 3.06 2.99 2yw9A1 TYR 176 HB3 -0.11 0.10 0.23 -0.04 2.98 3.16 2yw9A1 TYR 176 HD2 -0.05 0.02 0.04 -0.04 7.15 7.11 2yw9A1 TYR 176 HE2 -0.01 -0.04 -0.02 -0.04 6.85 6.75 2yw9A1 GLU 177 H -0.02 0.42 -0.12 -0.55 8.60 8.33 2yw9A1 GLU 177 HA -0.47 0.05 0.47 -0.75 4.29 3.59 2yw9A1 GLU 177 HB2 -0.03 0.04 0.12 -0.04 2.09 2.18 2yw9A1 GLU 177 HB3 -0.09 -0.05 0.04 -0.04 1.99 1.84 2yw9A1 GLU 177 HG2 -0.15 -0.04 -0.00 -0.04 2.34 2.10 2yw9A1 GLU 177 HG3 0.11 0.15 0.07 -0.04 2.34 2.63 2yw9A1 LEU 178 H -0.05 0.66 -0.05 -0.55 8.37 8.37 2yw9A1 LEU 178 HA -0.06 0.09 0.71 -0.75 4.35 4.33 2yw9A1 LEU 178 HB2 -0.02 0.11 -0.07 -0.04 1.64 1.61 2yw9A1 LEU 178 HB3 -0.03 -0.03 0.02 -0.04 1.64 1.56 2yw9A1 LEU 178 HG -0.03 0.00 -0.01 -0.04 1.64 1.56 2yw9A1 LEU 178 HD13 -0.03 -0.02 -0.12 -0.04 0.93 0.72 2yw9A1 LEU 178 HD23 -0.05 0.00 -0.13 -0.04 0.89 0.67 2yw9A1 GLY 179 H -0.07 0.20 -0.40 -0.55 8.43 7.62 2yw9A1 GLY 179 HA2 -0.02 0.24 0.41 -0.51 4.01 4.13 2yw9A1 GLY 179 HA3 -0.03 0.07 0.33 -0.51 4.01 3.87 2yw9A1 PRO 180 HA -0.03 0.04 0.45 -0.51 4.44 4.39 2yw9A1 PRO 180 HB2 -0.06 0.04 -0.02 -0.04 2.28 2.19 2yw9A1 PRO 180 HB3 -0.04 -0.04 0.09 -0.04 2.02 1.98 2yw9A1 PRO 180 HG2 -0.13 0.03 0.06 -0.04 2.03 1.95 2yw9A1 PRO 180 HG3 -0.08 -0.02 0.07 -0.04 2.03 1.97 2yw9A1 PRO 180 HD2 -0.12 0.23 -0.28 -0.04 3.68 3.47 2yw9A1 PRO 180 HD3 -0.12 0.25 0.07 -0.04 3.65 3.82 2yw9A1 LYS 181 H -0.04 0.27 -0.48 -0.55 8.42 7.61 2yw9A1 LYS 181 HA -0.03 0.09 0.65 -0.75 4.32 4.28 2yw9A1 GLY 182 H -0.02 0.51 -0.45 -0.55 8.43 7.92 2yw9A1 GLY 182 HA2 -0.01 0.04 0.31 -0.51 4.01 3.84 2yw9A1 GLY 182 HA3 -0.01 -0.09 0.49 -0.51 4.01 3.89 2yw9A1 VAL 183 H -0.02 0.30 -0.16 -0.55 8.24 7.81 2yw9A1 VAL 183 HA -0.00 0.39 0.84 -0.75 4.13 4.60 2yw9A1 VAL 183 HB -0.02 0.01 -0.06 -0.04 2.12 2.01 2yw9A1 VAL 183 HG13 0.00 -0.03 -0.33 -0.04 0.97 0.58 2yw9A1 VAL 183 HG23 -0.01 0.01 -0.24 -0.04 0.95 0.67 2yw9A1 ARG 184 H 0.01 0.60 0.31 -0.55 8.46 8.82 2yw9A1 ARG 184 HA -0.00 0.09 0.88 -0.75 4.34 4.55 2yw9A1 ARG 184 HB2 -0.00 0.07 0.12 -0.04 1.90 2.04 2yw9A1 ARG 184 HB3 -0.01 -0.02 0.14 -0.04 1.80 1.86 2yw9A1 ARG 184 HG2 -0.01 -0.07 -0.20 -0.04 1.67 1.35 2yw9A1 ARG 184 HG3 -0.01 0.08 -0.16 -0.04 1.67 1.54 2yw9A1 ARG 184 HD2 -0.03 0.21 -0.15 -0.04 3.22 3.21 2yw9A1 ARG 184 HD3 -0.02 0.12 -0.12 -0.04 3.22 3.16 2yw9A1 VAL 185 H 0.01 0.13 0.25 -0.55 8.24 8.08 2yw9A1 VAL 185 HA 0.01 0.30 1.00 -0.75 4.13 4.69 2yw9A1 VAL 185 HB 0.01 -0.01 0.11 -0.04 2.12 2.19 2yw9A1 VAL 185 HG13 0.00 -0.03 -0.08 -0.04 0.97 0.82 2yw9A1 VAL 185 HG23 0.00 0.02 -0.40 -0.04 0.95 0.53 2yw9A1 ASN 186 H 0.01 0.62 0.37 -0.55 8.53 8.99 2yw9A1 ASN 186 HA 0.01 0.12 0.87 -0.75 4.76 5.00 2yw9A1 ASN 186 HB2 -0.00 0.07 -0.04 -0.04 2.88 2.87 2yw9A1 ASN 186 HB3 0.01 -0.01 0.00 -0.04 2.79 2.75 2yw9A1 ASN 186 HD21 -0.02 0.52 -0.07 -0.04 7.03 7.43 2yw9A1 ASN 186 HD22 -0.02 0.07 -0.19 -0.04 7.74 7.56 2yw9A1 ALA 187 H -0.00 0.82 0.38 -0.55 8.40 9.05 2yw9A1 ALA 187 HA 0.00 0.16 1.05 -0.75 4.34 4.80 2yw9A1 ALA 187 HB3 -0.02 -0.02 -0.07 -0.04 1.41 1.26 2yw9A1 ILE 188 H -0.01 0.78 0.37 -0.55 8.25 8.85 2yw9A1 ILE 188 HA -0.05 0.24 0.97 -0.75 4.18 4.58 2yw9A1 ILE 188 HB 0.00 0.02 0.22 -0.04 1.89 2.09 2yw9A1 ILE 188 HG12 0.02 0.03 -0.12 -0.04 1.49 1.38 2yw9A1 ILE 188 HG13 0.01 0.01 -0.22 -0.04 1.21 0.96 2yw9A1 ILE 188 HG23 -0.00 -0.03 -0.16 -0.04 0.93 0.69 2yw9A1 ILE 188 HD13 0.02 0.01 -0.13 -0.04 0.88 0.73 2yw9A1 SER 189 H -0.25 0.78 0.09 -0.55 8.46 8.54 2yw9A1 SER 189 HA -0.16 0.27 0.73 -0.75 4.49 4.57 2yw9A1 SER 189 HB2 -0.77 0.03 -0.25 -0.04 3.95 2.92 2yw9A1 SER 189 HB3 -1.31 -0.10 -0.04 -0.04 3.93 2.43 2yw9A1 ALA 190 H 0.02 0.42 0.23 -0.55 8.40 8.52 2yw9A1 ALA 190 HA 0.03 0.15 0.68 -0.75 4.34 4.45 2yw9A1 ALA 190 HB3 0.06 0.01 0.09 -0.04 1.41 1.53 2yw9A1 GLY 191 H 0.08 0.42 0.38 -0.55 8.43 8.77 2yw9A1 GLY 191 HA2 0.21 0.06 0.73 -0.51 4.01 4.50 2yw9A1 GLY 191 HA3 0.09 -0.03 0.46 -0.51 4.01 4.01 2yw9A1 PRO 192 HA 0.04 0.09 0.47 -0.51 4.44 4.54 2yw9A1 PRO 192 HB2 0.01 0.05 -0.16 -0.04 2.28 2.14 2yw9A1 PRO 192 HB3 0.02 0.05 0.05 -0.04 2.02 2.10 2yw9A1 PRO 192 HG2 -0.02 -0.01 0.02 -0.04 2.03 1.98 2yw9A1 PRO 192 HG3 0.01 0.05 0.05 -0.04 2.03 2.10 2yw9A1 PRO 192 HD2 0.02 0.05 0.24 -0.04 3.68 3.94 2yw9A1 PRO 192 HD3 0.25 0.13 0.17 -0.04 3.65 4.16 2yw9A1 VAL 193 H 0.02 0.19 0.09 -0.55 8.24 7.98 2yw9A1 VAL 193 HA 0.02 0.25 0.89 -0.75 4.13 4.54 2yw9A1 VAL 193 HB 0.02 0.02 0.12 -0.04 2.12 2.24 2yw9A1 VAL 193 HG13 0.02 0.01 -0.10 -0.04 0.97 0.86 2yw9A1 VAL 193 HG23 0.03 0.02 -0.29 -0.04 0.95 0.67 2yw9A1 ARG 194 H 0.01 0.19 0.00 -0.55 8.46 8.11 2yw9A1 ARG 194 HA -0.00 0.16 0.50 -0.75 4.34 4.24 2yw9A1 ASP 209 HA 0.00 -0.00 0.22 -0.75 4.63 4.09 2yw9A1 ARG 210 H 0.01 0.21 0.12 -0.55 8.46 8.25 2yw9A1 ARG 210 HA 0.03 0.16 0.58 -0.75 4.34 4.36 2yw9A1 VAL 211 H -0.04 0.17 -0.06 -0.55 8.24 7.76 2yw9A1 VAL 211 HA -0.16 0.09 0.44 -0.75 4.13 3.75 2yw9A1 VAL 211 HB -0.09 0.01 -0.00 -0.04 2.12 1.99 2yw9A1 VAL 211 HG13 -0.36 0.02 -0.05 -0.04 0.97 0.53 2yw9A1 VAL 211 HG23 -0.22 0.01 0.05 -0.04 0.95 0.75 2yw9A1 ALA 212 H -0.01 0.13 -0.48 -0.55 8.40 7.50 2yw9A1 ALA 212 HA 0.02 0.03 0.06 -0.75 4.34 3.69 2yw9A1 ALA 212 HB3 0.01 0.08 -0.09 -0.04 1.41 1.37 2yw9A1 GLN 213 H 0.04 0.19 -0.62 -0.55 8.47 7.53 2yw9A1 GLN 213 HA 0.03 0.14 0.56 -0.75 4.36 4.33 2yw9A1 THR 214 H 0.11 0.21 -0.11 -0.55 8.28 7.94 2yw9A1 THR 214 HA 0.06 0.13 0.57 -0.75 4.39 4.39 2yw9A1 THR 214 HB 0.40 -0.03 0.05 -0.04 4.32 4.70 2yw9A1 THR 214 HG23 0.01 -0.01 -0.02 -0.04 1.22 1.15 2yw9A1 ALA 215 H 0.15 0.44 0.02 -0.55 8.40 8.46 2yw9A1 ALA 215 HA 0.11 0.04 0.29 -0.75 4.34 4.04 2yw9A1 ALA 215 HB3 0.13 0.00 0.11 -0.04 1.41 1.60 2yw9A1 PRO 216 HA -0.00 0.10 0.46 -0.51 4.44 4.49 2yw9A1 PRO 216 HB2 -0.00 -0.01 0.07 -0.04 2.28 2.30 2yw9A1 PRO 216 HB3 -0.02 0.01 0.09 -0.04 2.02 2.06 2yw9A1 PRO 216 HG2 -0.04 -0.07 0.12 -0.04 2.03 2.01 2yw9A1 PRO 216 HG3 -0.05 0.06 0.09 -0.04 2.03 2.09 2yw9A1 PRO 216 HD2 0.02 0.01 0.02 -0.04 3.68 3.69 2yw9A1 PRO 216 HD3 -0.02 0.20 0.05 -0.04 3.65 3.84 2yw9A1 LEU 217 H 0.03 0.28 -0.15 -0.55 8.37 7.98 2yw9A1 LEU 217 HA 0.01 0.13 0.47 -0.75 4.35 4.20 2yw9A1 LEU 217 HB2 0.02 -0.02 0.04 -0.04 1.64 1.65 2yw9A1 LEU 217 HB3 0.01 0.00 0.07 -0.04 1.64 1.69 2yw9A1 LEU 217 HG 0.02 0.04 -0.04 -0.04 1.64 1.62 2yw9A1 LEU 217 HD13 0.02 -0.03 -0.02 -0.04 0.93 0.85 2yw9A1 LEU 217 HD23 0.00 0.02 -0.10 -0.04 0.89 0.77 2yw9A1 ARG 218 H 0.03 0.44 -0.52 -0.55 8.46 7.87 2yw9A1 ARG 218 HA 0.03 0.30 0.29 -0.75 4.34 4.20 2yw9A1 ARG 218 HB2 0.01 0.06 -0.05 -0.04 1.90 1.88 2yw9A1 ARG 218 HB3 0.02 -0.07 0.21 -0.04 1.80 1.91 2yw9A1 ARG 218 HG2 0.01 0.12 -0.23 -0.04 1.67 1.53 2yw9A1 ARG 218 HG3 0.01 -0.11 -0.05 -0.04 1.67 1.48 2yw9A1 ARG 218 HD2 0.02 -0.06 0.05 -0.04 3.22 3.18 2yw9A1 ARG 218 HD3 0.02 0.24 -0.11 -0.04 3.22 3.33 2yw9A1 ARG 219 H 0.03 0.13 -0.20 -0.55 8.46 7.86 2yw9A1 ARG 219 HA 0.01 0.05 0.46 -0.75 4.34 4.10 2yw9A1 ARG 219 HB2 0.01 -0.08 0.13 -0.04 1.90 1.92 2yw9A1 ARG 219 HB3 0.01 0.18 -0.04 -0.04 1.80 1.90 2yw9A1 ARG 219 HG2 0.01 0.19 -0.25 -0.04 1.67 1.59 2yw9A1 ARG 219 HG3 0.02 -0.11 -0.34 -0.04 1.67 1.19 2yw9A1 ARG 219 HD2 0.01 0.06 -0.05 -0.04 3.22 3.20 2yw9A1 ARG 219 HD3 0.01 0.01 -0.05 -0.04 3.22 3.15 2yw9A1 ASN 220 H 0.01 0.11 0.11 -0.55 8.53 8.22 2yw9A1 ASN 220 HA 0.01 0.10 0.70 -0.75 4.76 4.82 2yw9A1 ASN 220 HB2 0.01 -0.04 0.11 -0.04 2.88 2.91 2yw9A1 ASN 220 HB3 0.01 0.17 0.09 -0.04 2.79 3.02 2yw9A1 ASN 220 HD21 -0.02 -0.00 -0.14 -0.04 7.03 6.83 2yw9A1 ASN 220 HD22 -0.00 -0.03 -0.26 -0.04 7.74 7.42 2yw9A1 ILE 221 H 0.02 0.15 0.07 -0.55 8.25 7.94 2yw9A1 ILE 221 HA 0.02 0.13 0.57 -0.75 4.18 4.15 2yw9A1 ILE 221 HB 0.03 -0.01 0.05 -0.04 1.89 1.92 2yw9A1 ILE 221 HG12 0.04 -0.08 -0.00 -0.04 1.49 1.41 2yw9A1 ILE 221 HG13 0.03 0.06 -0.20 -0.04 1.21 1.06 2yw9A1 ILE 221 HG23 0.04 0.01 -0.22 -0.04 0.93 0.72 2yw9A1 ILE 221 HD13 0.05 0.14 -0.04 -0.04 0.88 0.98 2yw9A1 THR 222 H 0.02 0.10 0.15 -0.55 8.28 8.00 2yw9A1 THR 222 HA 0.02 0.27 0.93 -0.75 4.39 4.85 2yw9A1 THR 222 HB 0.02 -0.03 0.15 -0.04 4.32 4.42 2yw9A1 THR 222 HG23 0.01 0.06 -0.05 -0.04 1.22 1.20 2yw9A1 GLN 223 H 0.03 0.25 0.13 -0.55 8.47 8.33 2yw9A1 GLN 223 HA 0.04 0.10 0.40 -0.75 4.36 4.14 2yw9A1 GLN 223 HB2 0.04 0.04 0.13 -0.04 2.15 2.32 2yw9A1 GLN 223 HB3 0.05 0.06 0.01 -0.04 2.02 2.10 2yw9A1 GLN 223 HG2 0.07 -0.08 -0.04 -0.04 2.40 2.31 2yw9A1 GLN 223 HG3 0.05 0.05 -0.15 -0.04 2.39 2.30 2yw9A1 GLN 223 HE21 0.15 0.54 0.15 -0.04 6.97 7.77 2yw9A1 GLN 223 HE22 0.12 0.48 -0.30 -0.04 7.69 7.95 2yw9A1 GLU 224 H 0.03 0.10 -0.16 -0.55 8.60 8.02 2yw9A1 GLU 224 HA 0.02 0.13 0.35 -0.75 4.29 4.04 2yw9A1 GLU 224 HB2 0.02 0.00 0.08 -0.04 2.09 2.15 2yw9A1 GLU 224 HB3 0.02 0.02 -0.04 -0.04 1.99 1.95 2yw9A1 GLU 224 HG2 0.01 -0.01 0.02 -0.04 2.34 2.32 2yw9A1 GLU 224 HG3 0.02 0.05 0.01 -0.04 2.34 2.39 2yw9A1 GLU 225 H 0.02 0.07 -0.36 -0.55 8.60 7.77 2yw9A1 GLU 225 HA 0.01 0.12 0.44 -0.75 4.29 4.11 2yw9A1 GLU 225 HB2 0.02 0.05 0.14 -0.04 2.09 2.26 2yw9A1 GLU 225 HB3 0.02 0.02 0.02 -0.04 1.99 2.00 2yw9A1 GLU 225 HG2 0.01 0.10 0.02 -0.04 2.34 2.42 2yw9A1 GLU 225 HG3 0.01 -0.05 -0.00 -0.04 2.34 2.26 2yw9A1 VAL 226 H 0.03 0.29 -0.24 -0.55 8.24 7.77 2yw9A1 VAL 226 HA 0.02 0.06 0.54 -0.75 4.13 4.01 2yw9A1 VAL 226 HB 0.03 0.11 0.15 -0.04 2.12 2.37 2yw9A1 VAL 226 HG13 0.03 -0.01 -0.09 -0.04 0.97 0.85 2yw9A1 VAL 226 HG23 0.03 0.02 0.01 -0.04 0.95 0.98 2yw9A1 GLY 227 H 0.02 0.51 -0.07 -0.55 8.43 8.34 2yw9A1 GLY 227 HA2 -0.00 -0.03 0.17 -0.51 4.01 3.64 2yw9A1 GLY 227 HA3 0.00 0.12 0.12 -0.51 4.01 3.74 2yw9A1 ASN 228 H 0.01 0.64 -0.15 -0.55 8.53 8.48 2yw9A1 ASN 228 HA 0.01 0.05 0.36 -0.75 4.76 4.43 2yw9A1 ASN 228 HB2 0.01 0.03 0.11 -0.04 2.88 2.98 2yw9A1 ASN 228 HB3 0.00 -0.00 -0.04 -0.04 2.79 2.71 2yw9A1 ASN 228 HD21 0.00 -0.03 -0.08 -0.04 7.03 6.88 2yw9A1 ASN 228 HD22 0.00 -0.07 -0.07 -0.04 7.74 7.56 2yw9A1 LEU 229 H 0.03 0.35 -0.29 -0.55 8.37 7.91 2yw9A1 LEU 229 HA 0.10 0.05 0.44 -0.75 4.35 4.18 2yw9A1 LEU 229 HB2 0.03 -0.01 0.07 -0.04 1.64 1.69 2yw9A1 LEU 229 HB3 0.03 0.08 0.12 -0.04 1.64 1.83 2yw9A1 LEU 229 HG 0.07 0.03 -0.27 -0.04 1.64 1.43 2yw9A1 LEU 229 HD13 0.14 -0.01 -0.03 -0.04 0.93 1.00 2yw9A1 LEU 229 HD23 0.03 -0.02 -0.15 -0.04 0.89 0.70 2yw9A1 GLY 230 H 0.02 0.54 -0.15 -0.55 8.43 8.29 2yw9A1 GLY 230 HA2 0.00 0.00 0.34 -0.51 4.01 3.84 2yw9A1 GLY 230 HA3 -0.01 -0.00 0.25 -0.51 4.01 3.74 2yw9A1 LEU 231 H -0.01 0.63 -0.11 -0.55 8.37 8.34 2yw9A1 LEU 231 HA -0.12 0.03 0.33 -0.75 4.35 3.84 2yw9A1 LEU 231 HB2 -0.04 -0.04 -0.03 -0.04 1.64 1.48 2yw9A1 LEU 231 HB3 0.01 0.08 0.10 -0.04 1.64 1.80 2yw9A1 LEU 231 HG -0.00 -0.00 -0.32 -0.04 1.64 1.27 2yw9A1 LEU 231 HD13 -0.08 0.01 -0.13 -0.04 0.93 0.69 2yw9A1 LEU 231 HD23 -0.00 -0.01 -0.06 -0.04 0.89 0.77 2yw9A1 PHE 232 H 0.14 0.52 -0.21 -0.55 8.34 8.24 2yw9A1 PHE 232 HA -0.04 -0.03 0.31 -0.75 4.62 4.11 2yw9A1 PHE 232 HB2 -0.02 -0.03 0.06 -0.04 3.15 3.12 2yw9A1 PHE 232 HB3 -0.02 0.06 0.16 -0.04 3.06 3.22 2yw9A1 PHE 232 HD2 -0.01 -0.01 -0.09 -0.04 7.28 7.12 2yw9A1 PHE 232 HE2 -0.00 -0.00 -0.15 -0.04 7.38 7.18 2yw9A1 PHE 232 HZ 0.00 0.02 -0.11 -0.04 7.32 7.19 2yw9A1 LEU 233 H 0.04 0.58 -0.15 -0.55 8.37 8.30 2yw9A1 LEU 233 HA -0.37 -0.00 0.27 -0.75 4.35 3.49 2yw9A1 LEU 233 HB2 -0.02 0.05 0.05 -0.04 1.64 1.68 2yw9A1 LEU 233 HB3 -0.05 -0.01 -0.10 -0.04 1.64 1.44 2yw9A1 LEU 233 HG 0.18 0.08 -0.01 -0.04 1.64 1.85 2yw9A1 LEU 233 HD13 0.04 -0.05 -0.18 -0.04 0.93 0.69 2yw9A1 LEU 233 HD23 0.05 -0.01 -0.07 -0.04 0.89 0.81 2yw9A1 LEU 234 H -0.17 0.34 -0.32 -0.55 8.37 7.68 2yw9A1 LEU 234 HA -0.12 0.09 0.49 -0.75 4.35 4.05 2yw9A1 LEU 234 HB2 -0.45 0.05 0.02 -0.04 1.64 1.21 2yw9A1 LEU 234 HB3 -0.94 -0.03 -0.06 -0.04 1.64 0.57 2yw9A1 LEU 234 HG -0.13 0.03 -0.10 -0.04 1.64 1.41 2yw9A1 LEU 234 HD13 -0.18 -0.05 -0.19 -0.04 0.93 0.47 2yw9A1 LEU 234 HD23 0.03 -0.01 -0.22 -0.04 0.89 0.65 2yw9A1 SER 235 H -0.22 0.33 -0.22 -0.55 8.46 7.80 2yw9A1 SER 235 HA -0.08 0.07 0.31 -0.75 4.49 4.04 2yw9A1 SER 235 HB2 -0.05 -0.07 0.11 -0.04 3.95 3.90 2yw9A1 SER 235 HB3 -0.10 0.14 0.08 -0.04 3.93 4.01 2yw9A1 PRO 236 HA -0.04 0.21 0.57 -0.51 4.44 4.67 2yw9A1 PRO 236 HB2 -0.00 -0.04 0.00 -0.04 2.28 2.20 2yw9A1 PRO 236 HB3 -0.00 0.04 0.15 -0.04 2.02 2.17 2yw9A1 PRO 236 HG2 0.02 0.02 0.08 -0.04 2.03 2.11 2yw9A1 PRO 236 HG3 0.03 0.14 0.09 -0.04 2.03 2.25 2yw9A1 PRO 236 HD2 -0.01 0.00 0.17 -0.04 3.68 3.81 2yw9A1 PRO 236 HD3 0.03 0.17 0.17 -0.04 3.65 3.98 2yw9A1 LEU 237 H -0.08 0.10 -0.38 -0.55 8.37 7.47 2yw9A1 LEU 237 HA 0.01 0.07 0.47 -0.75 4.35 4.15 2yw9A1 LEU 237 HB2 0.02 0.08 -0.02 -0.04 1.64 1.68 2yw9A1 LEU 237 HB3 0.25 -0.04 0.02 -0.04 1.64 1.83 2yw9A1 LEU 237 HG 0.04 -0.00 -0.01 -0.04 1.64 1.63 2yw9A1 LEU 237 HD13 0.14 -0.01 -0.07 -0.04 0.93 0.96 2yw9A1 LEU 237 HD23 0.06 0.00 -0.04 -0.04 0.89 0.87 2yw9A1 ALA 238 H -0.34 0.49 -0.42 -0.55 8.40 7.59 2yw9A1 ALA 238 HA -0.24 0.07 0.84 -0.75 4.34 4.25 2yw9A1 ALA 238 HB3 -0.87 0.05 0.02 -0.04 1.41 0.57 2yw9A1 SER 239 H -0.08 0.32 -0.45 -0.55 8.46 7.71 2yw9A1 SER 239 HA -0.05 0.20 0.23 -0.75 4.49 4.11 2yw9A1 SER 239 HB2 -0.02 -0.03 0.12 -0.04 3.95 3.98 2yw9A1 SER 239 HB3 -0.03 0.08 0.16 -0.04 3.93 4.10 2yw9A1 GLY 240 H -0.02 0.04 -0.50 -0.55 8.43 7.40 2yw9A1 GLY 240 HA2 -0.00 0.17 0.67 -0.51 4.01 4.34 2yw9A1 GLY 240 HA3 0.01 -0.07 0.24 -0.51 4.01 3.68 2yw9A1 ILE 241 H -0.03 0.66 -0.21 -0.55 8.25 8.11 2yw9A1 ILE 241 HA 0.02 0.07 0.77 -0.75 4.18 4.28 2yw9A1 ILE 241 HB -0.04 0.21 0.16 -0.04 1.89 2.18 2yw9A1 ILE 241 HG12 0.07 -0.02 -0.11 -0.04 1.49 1.39 2yw9A1 ILE 241 HG13 0.03 -0.11 -0.22 -0.04 1.21 0.87 2yw9A1 ILE 241 HG23 0.04 -0.04 -0.16 -0.04 0.93 0.73 2yw9A1 ILE 241 HD13 0.17 -0.01 -0.04 -0.04 0.88 0.96 2yw9A1 THR 242 H 0.01 0.28 0.20 -0.55 8.28 8.22 2yw9A1 THR 242 HA 0.00 0.10 0.55 -0.75 4.39 4.29 2yw9A1 THR 242 HB -0.00 0.19 -0.19 -0.04 4.32 4.27 2yw9A1 THR 242 HG23 0.01 0.02 -0.12 -0.04 1.22 1.09 2yw9A1 GLY 243 H 0.01 0.78 0.38 -0.55 8.43 9.06 2yw9A1 GLY 243 HA2 0.02 0.07 0.32 -0.51 4.01 3.92 2yw9A1 GLY 243 HA3 0.02 0.06 0.53 -0.51 4.01 4.11 2yw9A1 GLU 244 H 0.02 0.08 -0.23 -0.55 8.60 7.92 2yw9A1 GLU 244 HA 0.03 0.16 0.59 -0.75 4.29 4.32 2yw9A1 GLU 244 HB2 0.03 -0.01 -0.08 -0.04 2.09 1.99 2yw9A1 GLU 244 HB3 0.04 -0.02 -0.15 -0.04 1.99 1.82 2yw9A1 GLU 244 HG2 0.03 0.05 -0.22 -0.04 2.34 2.16 2yw9A1 GLU 244 HG3 0.04 -0.00 -0.09 -0.04 2.34 2.25 2yw9A1 VAL 245 H 0.04 0.22 0.11 -0.55 8.24 8.06 2yw9A1 VAL 245 HA -0.04 0.23 0.80 -0.75 4.13 4.37 2yw9A1 VAL 245 HB 0.04 0.00 0.13 -0.04 2.12 2.25 2yw9A1 VAL 245 HG13 -0.26 -0.03 -0.26 -0.04 0.97 0.37 2yw9A1 VAL 245 HG23 -0.00 0.02 -0.12 -0.04 0.95 0.80 2yw9A1 VAL 246 H -0.04 0.68 0.17 -0.55 8.24 8.51 2yw9A1 VAL 246 HA 0.09 0.15 0.86 -0.75 4.13 4.47 2yw9A1 VAL 246 HB 0.03 -0.01 0.06 -0.04 2.12 2.16 2yw9A1 VAL 246 HG13 0.07 0.01 -0.13 -0.04 0.97 0.88 2yw9A1 VAL 246 HG23 0.07 0.03 -0.14 -0.04 0.95 0.87 2yw9A1 TYR 247 H 0.24 0.20 0.13 -0.55 8.29 8.31 2yw9A1 TYR 247 HA -0.08 0.23 0.75 -0.75 4.56 4.72 2yw9A1 TYR 247 HB2 -0.08 0.03 0.14 -0.04 3.06 3.10 2yw9A1 TYR 247 HB3 -0.15 -0.14 -0.07 -0.04 2.98 2.58 2yw9A1 TYR 247 HD2 -0.29 0.01 -0.07 -0.04 7.15 6.75 2yw9A1 TYR 247 HE2 -0.18 0.00 -0.09 -0.04 6.85 6.55 2yw9A1 VAL 248 H 0.00 0.51 0.07 -0.55 8.24 8.27 2yw9A1 VAL 248 HA 0.06 0.16 0.83 -0.75 4.13 4.43 2yw9A1 VAL 248 HB 0.04 -0.09 0.22 -0.04 2.12 2.25 2yw9A1 VAL 248 HG13 0.03 0.02 -0.09 -0.04 0.97 0.88 2yw9A1 VAL 248 HG23 0.01 0.04 -0.11 -0.04 0.95 0.86 2yw9A1 ASP 249 H 0.10 0.12 -0.06 -0.55 8.40 8.02 2yw9A1 ASP 249 HA 0.08 0.17 0.86 -0.75 4.63 4.98 2yw9A1 ASP 249 HB2 0.14 0.04 0.18 -0.04 2.71 3.03 2yw9A1 ASP 249 HB3 0.13 0.19 -0.25 -0.04 2.70 2.74 2yw9A1 ALA 250 H 0.06 0.16 0.05 -0.55 8.40 8.13 2yw9A1 ALA 250 HA 0.04 0.11 0.30 -0.75 4.34 4.04 2yw9A1 ALA 250 HB3 0.05 0.05 -0.03 -0.04 1.41 1.44 2yw9A1 GLY 251 H 0.08 -0.08 -0.41 -0.55 8.43 7.48 2yw9A1 GLY 251 HA2 0.02 0.03 0.26 -0.51 4.01 3.81 2yw9A1 GLY 251 HA3 0.00 0.21 0.52 -0.51 4.01 4.22 2yw9A1 TYR 252 H 0.16 0.48 -0.33 -0.55 8.29 8.05 2yw9A1 TYR 252 HA -0.05 0.11 0.20 -0.75 4.56 4.06 2yw9A1 TYR 252 HB2 -0.00 0.10 0.16 -0.04 3.06 3.28 2yw9A1 TYR 252 HB3 -0.03 -0.10 0.15 -0.04 2.98 2.96 2yw9A1 TYR 252 HD2 -0.08 -0.01 -0.06 -0.04 7.15 6.96 2yw9A1 TYR 252 HE2 0.11 0.00 -0.05 -0.04 6.85 6.87 2yw9A1 HIS 253 H 0.04 -0.01 -0.23 -0.55 8.41 7.67 2yw9A1 HIS 253 HA -0.95 0.13 0.25 -0.75 4.63 3.31 2yw9A1 HIS 253 HB2 -1.39 0.04 0.06 -0.04 3.26 1.93 2yw9A1 HIS 253 HB3 -0.55 -0.10 0.03 -0.04 3.20 2.54 2yw9A1 HIS 253 HD2 -0.50 0.03 -0.10 -0.04 6.97 6.36 2yw9A1 HIS 253 HE1 -0.40 0.01 -0.05 -0.04 7.75 7.26 2yw9A1 ILE 254 H -0.47 0.34 -0.36 -0.55 8.25 7.22 2yw9A1 ILE 254 HA -0.56 0.08 0.50 -0.75 4.18 3.44 2yw9A1 ILE 254 HB -0.27 -0.02 0.10 -0.04 1.89 1.66 2yw9A1 ILE 254 HG12 -0.20 0.38 0.08 -0.04 1.49 1.71 2yw9A1 ILE 254 HG13 -0.18 -0.02 -0.31 -0.04 1.21 0.65 2yw9A1 ILE 254 HG23 -0.42 -0.03 -0.00 -0.04 0.93 0.43 2yw9A1 ILE 254 HD13 -0.11 -0.04 0.02 -0.04 0.88 0.71 2yw9A1 MET 255 H -0.38 0.38 -0.26 -0.55 8.47 7.67 2yw9A1 MET 255 HA -0.16 0.01 0.41 -0.75 4.52 4.02 2yw9A1 MET 255 HB2 -0.38 0.09 0.11 -0.04 2.15 1.93 2yw9A1 MET 255 HB3 -0.16 -0.08 -0.02 -0.04 2.03 1.72 2yw9A1 MET 255 HG2 -0.19 0.00 0.02 -0.04 2.63 2.41 2yw9A1 MET 255 HG3 -0.11 0.19 -0.03 -0.04 2.56 2.56 2yw9A1 MET 255 HE3 -0.06 -0.01 0.03 -0.04 2.10 2.02 2yw9A1 GLY 256 H -0.10 0.13 0.10 -0.55 8.43 8.02 2yw9A1 GLY 256 HA2 -0.07 0.18 0.43 -0.51 4.01 4.04 2yw9A1 GLY 256 HA3 -0.06 0.02 0.20 -0.51 4.01 3.67