============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 32 0.840 42.320 49.744 -8.696 -99.200 -91.000 PHE 34 1.000 36.966 44.560 -11.134 -99.200 -91.000 PHE 36 1.000 36.736 47.076 -5.590 -99.200 -91.000 TRP 39 1.040 23.997 43.774 -1.577 -99.200 -91.000 TRP6 39 1.020 22.660 45.211 -0.249 -99.200 -91.000 PHE 40 1.000 28.975 39.919 4.475 -99.200 -91.000 TYR 53 0.840 32.758 37.480 -4.966 -99.200 -91.000 PHE 66 1.000 19.209 35.046 -2.178 -99.200 -91.000 PHE 75 1.000 27.101 50.173 -5.276 -99.200 -91.000 HIS 80 0.900 10.913 37.827 -9.660 -99.200 -91.000 TYR 90 0.840 18.412 39.078 3.178 -99.200 -91.000 PHE 91 1.000 23.311 43.055 9.008 -99.200 -91.000 TRP 100 1.040 37.415 46.289 3.739 -99.200 -91.000 TRP6 100 1.020 37.826 43.996 3.327 -99.200 -91.000 PHE 102 1.000 30.063 44.593 8.458 -99.200 -91.000 PHE 122 1.000 1.803 22.217 27.252 -99.200 -91.000 PHE 139 1.000 4.831 26.007 24.657 -99.200 -91.000 PHE 143 1.000 0.843 33.627 16.108 -99.200 -91.000 TYR 144 0.840 1.576 36.158 7.818 -99.200 -91.000 TRP 152 1.040 -1.704 33.957 30.920 -99.200 -91.000 TRP6 152 1.020 -1.625 31.588 31.010 -99.200 -91.000 TRP 167 1.040 4.963 37.551 19.785 -99.200 -91.000 TRP6 167 1.020 4.904 38.766 21.810 -99.200 -91.000 TYR 177 0.840 5.734 36.117 12.110 -99.200 -91.000 TYR 190 0.840 -1.348 25.707 40.356 -99.200 -91.000 HIS 193 0.900 -8.122 32.183 43.061 -99.200 -91.000 TYR 196 0.840 -4.644 28.685 37.931 -99.200 -91.000 HIS 202 0.900 -3.934 35.581 14.225 -99.200 -91.000 PHE 213 1.000 -4.196 24.139 34.269 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2or9M1 ASP 1 HA 0.02 0.00 0.17 -0.75 4.63 4.07 2or9M1 ASP 1 HB2 0.02 -0.07 -0.02 -0.04 2.71 2.60 2or9M1 ASP 1 HB3 0.03 0.06 -0.11 -0.04 2.70 2.63 2or9M1 ILE 2 H 0.03 0.18 0.07 -0.55 8.25 7.98 2or9M1 ILE 2 HA 0.02 0.12 0.71 -0.75 4.18 4.27 2or9M1 ILE 2 HB 0.01 -0.00 0.06 -0.04 1.89 1.92 2or9M1 ILE 2 HG12 0.02 0.02 -0.13 -0.04 1.49 1.36 2or9M1 ILE 2 HG13 0.02 0.02 -0.16 -0.04 1.21 1.06 2or9M1 ILE 2 HG23 0.03 -0.01 -0.09 -0.04 0.93 0.82 2or9M1 ILE 2 HD13 0.01 0.00 -0.06 -0.04 0.88 0.79 2or9M1 VAL 3 H 0.03 0.07 0.19 -0.55 8.24 7.98 2or9M1 VAL 3 HA 0.04 0.23 0.93 -0.75 4.13 4.57 2or9M1 VAL 3 HB 0.03 -0.06 0.09 -0.04 2.12 2.14 2or9M1 VAL 3 HG13 0.04 0.01 -0.12 -0.04 0.97 0.86 2or9M1 VAL 3 HG23 0.03 0.03 -0.13 -0.04 0.95 0.84 2or9M1 LEU 4 H 0.05 0.28 0.10 -0.55 8.37 8.26 2or9M1 LEU 4 HA 0.05 0.48 1.06 -0.75 4.35 5.18 2or9M1 LEU 4 HB2 0.05 0.01 -0.18 -0.04 1.64 1.48 2or9M1 LEU 4 HB3 0.01 -0.04 -0.11 -0.04 1.64 1.46 2or9M1 LEU 4 HG 0.00 0.06 -0.28 -0.04 1.64 1.38 2or9M1 LEU 4 HD13 -0.09 -0.03 -0.21 -0.04 0.93 0.55 2or9M1 LEU 4 HD23 -0.01 -0.01 -0.36 -0.04 0.89 0.48 2or9M1 THR 5 H 0.07 0.61 0.33 -0.55 8.28 8.74 2or9M1 THR 5 HA 0.07 0.11 0.92 -0.75 4.39 4.74 2or9M1 THR 5 HB 0.06 -0.02 0.14 -0.04 4.32 4.46 2or9M1 THR 5 HG23 0.05 0.01 -0.10 -0.04 1.22 1.14 2or9M1 GLN 6 H 0.09 0.13 0.22 -0.55 8.47 8.36 2or9M1 GLN 6 HA 0.16 0.29 1.02 -0.75 4.36 5.08 2or9M1 GLN 6 HB2 0.13 -0.34 0.19 -0.04 2.15 2.09 2or9M1 GLN 6 HB3 0.12 0.19 -0.08 -0.04 2.02 2.21 2or9M1 GLN 6 HG2 0.31 0.26 0.02 -0.04 2.40 2.94 2or9M1 GLN 6 HG3 0.24 -0.07 0.03 -0.04 2.39 2.55 2or9M1 GLN 6 HE21 0.17 0.94 0.38 -0.04 6.97 8.41 2or9M1 GLN 6 HE22 0.29 0.07 -0.09 -0.04 7.69 7.93 2or9M1 SER 7 H 0.14 0.51 0.25 -0.55 8.46 8.81 2or9M1 SER 7 HA 0.06 0.05 0.60 -0.75 4.49 4.44 2or9M1 SER 7 HB2 0.04 -0.03 0.06 -0.04 3.95 3.98 2or9M1 SER 7 HB3 0.06 0.02 -0.24 -0.04 3.93 3.73 2or9M1 PRO 8 HA 0.03 0.03 0.41 -0.51 4.44 4.40 2or9M1 PRO 8 HB2 0.02 -0.00 0.23 -0.04 2.28 2.48 2or9M1 PRO 8 HB3 0.02 -0.01 0.19 -0.04 2.02 2.18 2or9M1 PRO 8 HG2 0.01 0.06 -0.18 -0.04 2.03 1.88 2or9M1 PRO 8 HG3 0.00 0.01 0.12 -0.04 2.03 2.12 2or9M1 PRO 8 HD2 0.01 0.10 0.42 -0.04 3.68 4.16 2or9M1 PRO 8 HD3 0.01 0.09 0.30 -0.04 3.65 4.01 2or9M1 ALA 9 H 0.02 0.07 0.22 -0.55 8.40 8.17 2or9M1 ALA 9 HA 0.03 0.25 0.65 -0.75 4.34 4.51 2or9M1 ALA 9 HB3 0.02 -0.01 0.16 -0.04 1.41 1.54 2or9M1 SER 10 H 0.02 0.08 0.15 -0.55 8.46 8.16 2or9M1 SER 10 HA 0.02 0.31 0.92 -0.75 4.49 4.99 2or9M1 SER 10 HB2 0.02 0.03 0.12 -0.04 3.95 4.08 2or9M1 SER 10 HB3 0.01 -0.03 -0.08 -0.04 3.93 3.79 2or9M1 LEU 11 H 0.03 0.40 0.28 -0.55 8.37 8.53 2or9M1 LEU 11 HA 0.01 0.02 0.68 -0.75 4.35 4.31 2or9M1 LEU 11 HB2 -0.01 0.12 -0.41 -0.04 1.64 1.30 2or9M1 LEU 11 HB3 -0.01 0.00 -0.07 -0.04 1.64 1.52 2or9M1 LEU 11 HG -0.02 -0.01 -0.25 -0.04 1.64 1.32 2or9M1 LEU 11 HD13 -0.01 -0.02 0.10 -0.04 0.93 0.96 2or9M1 LEU 11 HD23 -0.06 -0.01 -0.13 -0.04 0.89 0.65 2or9M1 ALA 12 H 0.02 0.20 0.16 -0.55 8.40 8.23 2or9M1 ALA 12 HA 0.05 0.42 0.98 -0.75 4.34 5.04 2or9M1 ALA 12 HB3 0.06 -0.01 -0.01 -0.04 1.41 1.40 2or9M1 VAL 13 H 0.02 0.58 0.27 -0.55 8.24 8.56 2or9M1 VAL 13 HA -0.00 0.14 0.96 -0.75 4.13 4.47 2or9M1 VAL 13 HB -0.03 -0.00 -0.10 -0.04 2.12 1.95 2or9M1 VAL 13 HG13 -0.04 0.08 -0.24 -0.04 0.97 0.73 2or9M1 VAL 13 HG23 -0.03 -0.02 -0.27 -0.04 0.95 0.59 2or9M1 SER 14 H -0.02 0.12 0.15 -0.55 8.46 8.17 2or9M1 SER 14 HA -0.03 0.26 0.69 -0.75 4.49 4.65 2or9M1 SER 14 HB2 -0.03 -0.05 0.09 -0.04 3.95 3.92 2or9M1 SER 14 HB3 -0.04 0.07 0.11 -0.04 3.93 4.04 2or9M1 LEU 15 H -0.06 0.22 0.21 -0.55 8.37 8.20 2or9M1 LEU 15 HA -0.07 0.13 0.44 -0.75 4.35 4.10 2or9M1 LEU 15 HB2 -0.06 0.02 0.18 -0.04 1.64 1.73 2or9M1 LEU 15 HB3 -0.06 -0.01 0.08 -0.04 1.64 1.62 2or9M1 LEU 15 HG -0.06 0.03 0.05 -0.04 1.64 1.63 2or9M1 LEU 15 HD13 -0.05 -0.01 -0.19 -0.04 0.93 0.64 2or9M1 LEU 15 HD23 -0.05 -0.01 -0.00 -0.04 0.89 0.78 2or9M1 GLY 16 H -0.11 0.56 0.34 -0.55 8.43 8.68 2or9M1 GLY 16 HA2 -0.17 -0.02 0.41 -0.51 4.01 3.71 2or9M1 GLY 16 HA3 -0.11 0.13 0.68 -0.51 4.01 4.20 2or9M1 GLN 17 H -0.09 0.38 -0.44 -0.55 8.47 7.77 2or9M1 GLN 17 HA -0.05 0.10 0.57 -0.75 4.36 4.23 2or9M1 GLN 17 HB2 -0.05 0.16 0.05 -0.04 2.15 2.27 2or9M1 GLN 17 HB3 -0.02 -0.03 0.18 -0.04 2.02 2.11 2or9M1 GLN 17 HG2 -0.04 0.03 -0.15 -0.04 2.40 2.20 2or9M1 GLN 17 HG3 -0.03 -0.15 0.02 -0.04 2.39 2.20 2or9M1 GLN 17 HE21 -0.00 0.01 0.04 -0.04 6.97 6.97 2or9M1 GLN 17 HE22 -0.01 -0.06 0.06 -0.04 7.69 7.63 2or9M1 ARG 18 H 0.04 0.10 0.19 -0.55 8.46 8.24 2or9M1 ARG 18 HA 0.01 0.42 1.02 -0.75 4.34 5.04 2or9M1 ARG 18 HB2 0.36 0.00 0.01 -0.04 1.90 2.23 2or9M1 ARG 18 HB3 0.06 -0.07 0.09 -0.04 1.80 1.85 2or9M1 ARG 18 HG2 -0.03 -0.01 -0.44 -0.04 1.67 1.15 2or9M1 ARG 18 HG3 0.01 0.04 -0.16 -0.04 1.67 1.51 2or9M1 ARG 18 HD2 -0.04 -0.04 -0.11 -0.04 3.22 2.99 2or9M1 ARG 18 HD3 -0.06 0.01 -0.14 -0.04 3.22 2.98 2or9M1 ALA 19 H -0.09 0.61 0.29 -0.55 8.40 8.67 2or9M1 ALA 19 HA -0.07 0.12 0.87 -0.75 4.34 4.51 2or9M1 ALA 19 HB3 -0.14 0.00 -0.05 -0.04 1.41 1.18 2or9M1 THR 20 H -0.07 0.18 0.06 -0.55 8.28 7.90 2or9M1 THR 20 HA -0.14 0.44 1.22 -0.75 4.39 5.15 2or9M1 THR 20 HB -0.04 -0.04 0.12 -0.04 4.32 4.31 2or9M1 THR 20 HG23 -0.04 0.00 -0.18 -0.04 1.22 0.96 2or9M1 ILE 21 H -0.24 0.50 0.23 -0.55 8.25 8.19 2or9M1 ILE 21 HA -0.04 0.22 0.93 -0.75 4.18 4.53 2or9M1 ILE 21 HB -0.44 -0.07 0.08 -0.04 1.89 1.42 2or9M1 ILE 21 HG12 -0.08 0.07 -0.18 -0.04 1.49 1.27 2or9M1 ILE 21 HG13 -0.19 -0.12 -0.33 -0.04 1.21 0.53 2or9M1 ILE 21 HG23 0.12 0.02 -0.20 -0.04 0.93 0.82 2or9M1 ILE 21 HD13 -0.33 0.00 -0.15 -0.04 0.88 0.37 2or9M1 SER 22 H 0.10 0.69 0.41 -0.55 8.46 9.11 2or9M1 SER 22 HA 0.27 0.22 1.22 -0.75 4.49 5.45 2or9M1 SER 22 HB2 0.10 0.08 0.17 -0.04 3.95 4.26 2or9M1 SER 22 HB3 0.13 -0.04 0.10 -0.04 3.93 4.09 2or9M1 CYS 23 H 0.32 0.73 0.39 -0.55 8.50 9.39 2or9M1 CYS 23 HA 0.19 0.19 0.85 -0.75 4.58 5.06 2or9M1 CYS 23 HB2 0.18 0.03 -0.27 -0.04 2.97 2.87 2or9M1 CYS 23 HB3 0.14 -0.03 -0.07 -0.04 2.97 2.96 2or9M1 ARG 24 H 0.10 0.52 0.35 -0.55 8.46 8.88 2or9M1 ARG 24 HA 0.10 0.35 1.25 -0.75 4.34 5.29 2or9M1 ARG 24 HB2 0.07 -0.01 0.11 -0.04 1.90 2.03 2or9M1 ARG 24 HB3 0.05 -0.02 0.02 -0.04 1.80 1.82 2or9M1 ARG 24 HG2 0.03 0.14 0.13 -0.04 1.67 1.92 2or9M1 ARG 24 HG3 0.03 -0.05 0.03 -0.04 1.67 1.64 2or9M1 ARG 24 HD2 0.01 -0.04 -0.02 -0.04 3.22 3.13 2or9M1 ARG 24 HD3 0.03 -0.03 -0.02 -0.04 3.22 3.16 2or9M1 ALA 25 H 0.11 0.67 0.39 -0.55 8.40 9.01 2or9M1 ALA 25 HA 0.06 0.32 0.95 -0.75 4.34 4.92 2or9M1 ALA 25 HB3 0.12 -0.02 0.09 -0.04 1.41 1.56 2or9M1 SER 26 H 0.04 0.24 0.29 -0.55 8.46 8.48 2or9M1 SER 26 HA 0.03 0.12 0.64 -0.75 4.49 4.53 2or9M1 SER 26 HB2 0.03 0.03 0.23 -0.04 3.95 4.19 2or9M1 SER 26 HB3 0.03 0.05 0.18 -0.04 3.93 4.15 2or9M1 GLU 27 H 0.05 0.18 -0.45 -0.55 8.60 7.83 2or9M1 GLU 27 HA 0.03 0.07 0.47 -0.75 4.29 4.10 2or9M1 GLU 27 HB2 0.03 -0.03 -0.14 -0.04 2.09 1.91 2or9M1 GLU 27 HB3 0.02 0.00 0.03 -0.04 1.99 2.01 2or9M1 GLU 27 HG2 0.02 0.04 0.10 -0.04 2.34 2.45 2or9M1 GLU 27 HG3 0.02 -0.06 -0.60 -0.04 2.34 1.66 2or9M1 SER 27 H 0.03 0.11 0.07 -0.55 8.46 8.13 2or9M1 SER 27 HA 0.08 0.10 0.19 -0.75 4.49 4.11 2or9M1 SER 27 HB2 0.03 0.01 0.11 -0.04 3.95 4.06 2or9M1 SER 27 HB3 0.04 0.09 0.10 -0.04 3.93 4.11 2or9M1 VAL 27 H 0.19 0.63 0.39 -0.55 8.24 8.90 2or9M1 VAL 27 HA 0.07 0.14 0.69 -0.75 4.13 4.27 2or9M1 VAL 27 HB 0.22 0.13 0.06 -0.04 2.12 2.49 2or9M1 VAL 27 HG13 -0.15 -0.04 -0.30 -0.04 0.97 0.45 2or9M1 VAL 27 HG23 -0.02 0.01 -0.02 -0.04 0.95 0.87 2or9M1 ASP 27 H 0.13 -0.07 -0.01 -0.55 8.40 7.91 2or9M1 ASP 27 HA 0.13 0.21 0.70 -0.75 4.63 4.91 2or9M1 ASP 27 HB2 0.07 -0.05 0.09 -0.04 2.71 2.79 2or9M1 ASP 27 HB3 0.07 -0.00 0.06 -0.04 2.70 2.79 2or9M1 ASN 27 H 0.17 0.54 0.30 -0.55 8.53 8.99 2or9M1 ASN 27 HA -0.03 -0.02 0.36 -0.75 4.76 4.31 2or9M1 ASN 27 HB2 0.04 0.39 0.06 -0.04 2.88 3.32 2or9M1 ASN 27 HB3 0.18 -0.01 -0.09 -0.04 2.79 2.83 2or9M1 ASN 27 HD21 -0.44 -0.03 0.02 -0.04 7.03 6.54 2or9M1 ASN 27 HD22 -0.25 0.07 0.00 -0.04 7.74 7.53 2or9M1 TYR 28 H -0.18 0.19 0.15 -0.55 8.29 7.90 2or9M1 TYR 28 HA 0.14 0.05 0.35 -0.75 4.56 4.35 2or9M1 TYR 28 HB2 0.32 0.12 0.03 -0.04 3.06 3.49 2or9M1 TYR 28 HB3 0.20 0.03 0.20 -0.04 2.98 3.37 2or9M1 TYR 28 HD2 0.13 0.04 -0.08 -0.04 7.15 7.19 2or9M1 TYR 28 HE2 -0.04 0.04 -0.01 -0.04 6.85 6.79 2or9M1 GLY 29 H 0.16 -0.05 -0.60 -0.55 8.43 7.40 2or9M1 GLY 29 HA2 0.02 -0.04 0.27 -0.51 4.01 3.76 2or9M1 GLY 29 HA3 0.01 0.22 0.79 -0.51 4.01 4.52 2or9M1 PHE 30 H 0.41 0.65 -0.05 -0.55 8.34 8.80 2or9M1 PHE 30 HA -0.13 0.23 0.90 -0.75 4.62 4.87 2or9M1 PHE 30 HB2 -0.58 0.07 -0.04 -0.04 3.15 2.55 2or9M1 PHE 30 HB3 -0.62 -0.04 -0.02 -0.04 3.06 2.35 2or9M1 PHE 30 HD2 -0.00 0.02 -0.13 -0.04 7.28 7.12 2or9M1 PHE 30 HE2 0.04 0.03 -0.01 -0.04 7.38 7.40 2or9M1 PHE 30 HZ 0.03 -0.02 -0.02 -0.04 7.32 7.27 2or9M1 SER 31 H -0.15 0.33 0.08 -0.55 8.46 8.17 2or9M1 SER 31 HA -0.05 0.07 0.66 -0.75 4.49 4.42 2or9M1 SER 31 HB2 0.00 0.08 0.03 -0.04 3.95 4.03 2or9M1 SER 31 HB3 0.16 -0.02 -0.14 -0.04 3.93 3.89 2or9M1 PHE 32 H -0.06 0.53 -0.05 -0.55 8.34 8.20 2or9M1 PHE 32 HA -0.13 0.07 0.61 -0.75 4.62 4.42 2or9M1 PHE 32 HB2 -0.17 0.08 0.16 -0.04 3.15 3.18 2or9M1 PHE 32 HB3 -0.27 -0.06 -0.10 -0.04 3.06 2.60 2or9M1 PHE 32 HD2 -0.10 0.17 -0.03 -0.04 7.28 7.27 2or9M1 PHE 32 HE2 -0.07 0.00 -0.10 -0.04 7.38 7.17 2or9M1 PHE 32 HZ -0.05 0.01 -0.10 -0.04 7.32 7.14 2or9M1 MET 33 H -0.30 0.44 -0.11 -0.55 8.47 7.96 2or9M1 MET 33 HA -0.38 0.21 0.91 -0.75 4.52 4.50 2or9M1 MET 33 HB2 -1.18 -0.05 -0.29 -0.04 2.15 0.58 2or9M1 MET 33 HB3 -0.73 0.00 -0.07 -0.04 2.03 1.19 2or9M1 MET 33 HG2 -0.79 0.00 -0.24 -0.04 2.63 1.57 2or9M1 MET 33 HG3 -0.75 0.07 -0.34 -0.04 2.56 1.50 2or9M1 MET 33 HE3 -0.43 0.09 -0.39 -0.04 2.10 1.33 2or9M1 ASN 34 H -0.28 0.89 0.33 -0.55 8.53 8.93 2or9M1 ASN 34 HA -0.11 0.12 0.95 -0.75 4.76 4.96 2or9M1 ASN 34 HB2 -0.11 0.01 0.07 -0.04 2.88 2.81 2or9M1 ASN 34 HB3 -0.21 0.21 0.21 -0.04 2.79 2.97 2or9M1 ASN 34 HD21 -0.20 -0.01 -0.09 -0.04 7.03 6.68 2or9M1 ASN 34 HD22 -0.09 0.05 -0.09 -0.04 7.74 7.56 2or9M1 TRP 35 H 0.09 0.42 0.33 -0.55 7.97 8.26 2or9M1 TRP 35 HA 0.15 0.26 1.09 -0.75 4.62 5.37 2or9M1 TRP 35 HB2 0.03 -0.10 0.07 -0.04 3.23 3.19 2or9M1 TRP 35 HB3 0.15 0.10 0.02 -0.04 3.23 3.47 2or9M1 TRP 35 HD1 0.01 -0.02 -0.17 -0.04 7.22 6.99 2or9M1 TRP 35 HE1 0.08 0.04 -0.26 -0.04 10.20 10.01 2or9M1 TRP 35 HE3 0.22 0.16 -0.32 -0.04 7.59 7.62 2or9M1 TRP 35 HZ2 0.13 -0.01 -0.45 -0.04 7.44 7.07 2or9M1 TRP 35 HZ3 0.14 -0.00 -0.35 -0.04 7.13 6.87 2or9M1 TRP 35 HH2 0.10 0.06 -0.63 -0.04 7.19 6.69 2or9M1 PHE 36 H 0.68 0.61 0.34 -0.55 8.34 9.42 2or9M1 PHE 36 HA 0.18 0.21 1.08 -0.75 4.62 5.34 2or9M1 PHE 36 HB2 0.31 -0.09 -0.05 -0.04 3.15 3.28 2or9M1 PHE 36 HB3 0.15 0.02 -0.12 -0.04 3.06 3.07 2or9M1 PHE 36 HD2 0.17 -0.00 -0.52 -0.04 7.28 6.89 2or9M1 PHE 36 HE2 0.10 -0.01 -0.21 -0.04 7.38 7.22 2or9M1 PHE 36 HZ 0.15 -0.01 -0.15 -0.04 7.32 7.26 2or9M1 GLN 37 H 0.19 0.74 0.38 -0.55 8.47 9.23 2or9M1 GLN 37 HA -0.33 0.26 1.05 -0.75 4.36 4.59 2or9M1 GLN 37 HB2 -0.11 -0.01 -0.05 -0.04 2.15 1.94 2or9M1 GLN 37 HB3 -0.08 -0.01 0.10 -0.04 2.02 1.99 2or9M1 GLN 37 HG2 -0.19 -0.05 -0.36 -0.04 2.40 1.76 2or9M1 GLN 37 HG3 -0.65 0.06 -0.07 -0.04 2.39 1.69 2or9M1 GLN 37 HE21 0.16 -0.04 -0.12 -0.04 6.97 6.94 2or9M1 GLN 37 HE22 0.24 0.08 -0.09 -0.04 7.69 7.88 2or9M1 GLN 38 H -0.18 0.85 0.27 -0.55 8.47 8.86 2or9M1 GLN 38 HA 0.02 0.21 0.93 -0.75 4.36 4.76 2or9M1 GLN 38 HB2 0.15 -0.07 -0.12 -0.04 2.15 2.06 2or9M1 GLN 38 HB3 0.24 -0.07 0.09 -0.04 2.02 2.24 2or9M1 GLN 38 HG2 0.05 -0.08 -0.44 -0.04 2.40 1.90 2or9M1 GLN 38 HG3 0.02 0.20 -0.25 -0.04 2.39 2.32 2or9M1 GLN 38 HE21 -0.07 -0.11 -0.00 -0.04 6.97 6.75 2or9M1 GLN 38 HE22 -0.03 0.48 0.14 -0.04 7.69 8.24 2or9M1 LYS 39 H -0.01 0.21 0.01 -0.55 8.42 8.07 2or9M1 LYS 39 HA -0.01 0.17 0.80 -0.75 4.32 4.53 2or9M1 LYS 39 HB2 0.00 -0.04 0.07 -0.04 1.87 1.85 2or9M1 LYS 39 HB3 0.01 0.06 0.06 -0.04 1.79 1.88 2or9M1 LYS 39 HG2 0.01 0.20 -0.01 -0.04 1.46 1.61 2or9M1 LYS 39 HG3 -0.03 -0.11 -0.11 -0.04 1.46 1.17 2or9M1 LYS 39 HD2 0.01 -0.06 -0.01 -0.04 1.69 1.58 2or9M1 LYS 39 HD3 0.01 -0.03 0.02 -0.04 1.68 1.64 2or9M1 LYS 39 HE2 0.05 0.39 0.06 -0.04 2.99 3.45 2or9M1 LYS 39 HE3 0.03 -0.09 -0.05 -0.04 2.99 2.83 2or9M1 PRO 40 HA 0.03 -0.02 0.42 -0.51 4.44 4.36 2or9M1 PRO 40 HB2 0.03 0.00 0.01 -0.04 2.28 2.28 2or9M1 PRO 40 HB3 0.04 0.00 0.14 -0.04 2.02 2.16 2or9M1 PRO 40 HG2 0.02 0.03 0.08 -0.04 2.03 2.12 2or9M1 PRO 40 HG3 0.03 0.02 0.09 -0.04 2.03 2.13 2or9M1 PRO 40 HD2 0.02 0.19 0.29 -0.04 3.68 4.15 2or9M1 PRO 40 HD3 0.03 0.11 0.26 -0.04 3.65 4.02 2or9M1 GLY 41 H 0.02 0.10 0.18 -0.55 8.43 8.18 2or9M1 GLY 41 HA2 0.01 -0.04 0.34 -0.51 4.01 3.81 2or9M1 GLY 41 HA3 0.01 0.05 0.44 -0.51 4.01 4.00 2or9M1 GLN 42 H 0.01 0.32 -0.20 -0.55 8.47 8.05 2or9M1 GLN 42 HA -0.00 0.15 0.91 -0.75 4.36 4.66 2or9M1 GLN 42 HB2 0.00 0.05 -0.02 -0.04 2.15 2.15 2or9M1 GLN 42 HB3 0.00 0.05 0.10 -0.04 2.02 2.13 2or9M1 GLN 42 HG2 0.00 0.00 -0.11 -0.04 2.40 2.26 2or9M1 GLN 42 HG3 0.01 0.11 -0.38 -0.04 2.39 2.08 2or9M1 GLN 42 HE21 0.01 -0.04 -0.02 -0.04 6.97 6.87 2or9M1 GLN 42 HE22 0.00 -0.02 -0.02 -0.04 7.69 7.62 2or9M1 PRO 43 HA -0.05 0.08 0.56 -0.51 4.44 4.52 2or9M1 PRO 43 HB2 -0.02 0.09 0.04 -0.04 2.28 2.36 2or9M1 PRO 43 HB3 -0.02 -0.04 0.09 -0.04 2.02 2.01 2or9M1 PRO 43 HG2 0.01 0.07 0.05 -0.04 2.03 2.11 2or9M1 PRO 43 HG3 0.00 -0.01 0.07 -0.04 2.03 2.05 2or9M1 PRO 43 HD2 0.00 0.09 0.23 -0.04 3.68 3.96 2or9M1 PRO 43 HD3 -0.01 0.11 0.15 -0.04 3.65 3.86 2or9M1 PRO 44 HA 0.04 0.17 0.48 -0.51 4.44 4.62 2or9M1 PRO 44 HB2 -0.12 -0.02 -0.14 -0.04 2.28 1.96 2or9M1 PRO 44 HB3 -0.17 0.00 -0.04 -0.04 2.02 1.77 2or9M1 PRO 44 HG2 -0.19 0.00 0.02 -0.04 2.03 1.82 2or9M1 PRO 44 HG3 -0.41 0.02 0.00 -0.04 2.03 1.60 2or9M1 PRO 44 HD2 -0.12 0.04 0.21 -0.04 3.68 3.77 2or9M1 PRO 44 HD3 -0.17 0.14 0.14 -0.04 3.65 3.72 2or9M1 LYS 45 H 0.15 0.80 0.40 -0.55 8.42 9.22 2or9M1 LYS 45 HA 0.15 0.13 0.94 -0.75 4.32 4.78 2or9M1 LYS 45 HB2 0.04 0.08 0.04 -0.04 1.87 1.99 2or9M1 LYS 45 HB3 0.03 -0.06 0.11 -0.04 1.79 1.82 2or9M1 LYS 45 HG2 0.05 -0.06 0.08 -0.04 1.46 1.48 2or9M1 LYS 45 HG3 0.02 -0.01 -0.00 -0.04 1.46 1.42 2or9M1 LYS 45 HD2 -0.04 -0.05 -0.15 -0.04 1.69 1.41 2or9M1 LYS 45 HD3 0.01 0.12 -0.36 -0.04 1.68 1.40 2or9M1 LYS 45 HE2 0.00 -0.07 -0.03 -0.04 2.99 2.86 2or9M1 LYS 45 HE3 -0.01 0.17 -0.09 -0.04 2.99 3.02 2or9M1 LEU 46 H 0.13 0.14 0.11 -0.55 8.37 8.21 2or9M1 LEU 46 HA -0.39 0.09 0.57 -0.75 4.35 3.87 2or9M1 LEU 46 HB2 0.00 -0.00 0.05 -0.04 1.64 1.65 2or9M1 LEU 46 HB3 0.01 -0.02 0.12 -0.04 1.64 1.70 2or9M1 LEU 46 HG -0.01 -0.00 -0.51 -0.04 1.64 1.07 2or9M1 LEU 46 HD13 -0.46 0.05 -0.05 -0.04 0.93 0.42 2or9M1 LEU 46 HD23 -0.01 -0.02 -0.13 -0.04 0.89 0.68 2or9M1 LEU 47 H -0.14 0.58 0.42 -0.55 8.37 8.69 2or9M1 LEU 47 HA -0.08 0.18 0.79 -0.75 4.35 4.49 2or9M1 LEU 47 HB2 0.10 -0.02 -0.09 -0.04 1.64 1.59 2or9M1 LEU 47 HB3 -0.03 -0.00 -0.14 -0.04 1.64 1.42 2or9M1 LEU 47 HG -0.03 0.02 -0.19 -0.04 1.64 1.40 2or9M1 LEU 47 HD13 0.16 -0.00 -0.24 -0.04 0.93 0.81 2or9M1 LEU 47 HD23 -0.55 0.02 -0.10 -0.04 0.89 0.22 2or9M1 ILE 48 H 0.04 0.33 0.32 -0.55 8.25 8.39 2or9M1 ILE 48 HA -0.02 0.43 0.99 -0.75 4.18 4.83 2or9M1 ILE 48 HB 0.33 -0.18 0.02 -0.04 1.89 2.01 2or9M1 ILE 48 HG12 0.11 -0.16 -0.44 -0.04 1.49 0.96 2or9M1 ILE 48 HG13 0.12 -0.00 -0.26 -0.04 1.21 1.03 2or9M1 ILE 48 HG23 0.04 0.07 -0.16 -0.04 0.93 0.84 2or9M1 ILE 48 HD13 0.05 0.09 -0.24 -0.04 0.88 0.74 2or9M1 TYR 49 H -0.29 0.61 0.14 -0.55 8.29 8.20 2or9M1 TYR 49 HA -0.11 0.06 0.72 -0.75 4.56 4.48 2or9M1 TYR 49 HB2 -0.08 -0.01 -0.03 -0.04 3.06 2.90 2or9M1 TYR 49 HB3 -0.10 0.04 -0.21 -0.04 2.98 2.67 2or9M1 TYR 49 HD2 -0.03 -0.01 -0.37 -0.04 7.15 6.70 2or9M1 TYR 49 HE2 0.00 0.08 -0.15 -0.04 6.85 6.74 2or9M1 ALA 50 H -0.02 0.14 -0.05 -0.55 8.40 7.93 2or9M1 ALA 50 HA -0.15 0.13 0.46 -0.75 4.34 4.03 2or9M1 ALA 50 HB3 0.04 0.04 0.05 -0.04 1.41 1.51 2or9M1 ILE 51 H -0.08 0.39 -0.16 -0.55 8.25 7.85 2or9M1 ILE 51 HA 0.06 0.01 0.25 -0.75 4.18 3.74 2or9M1 ILE 51 HB -0.06 -0.08 -0.13 -0.04 1.89 1.58 2or9M1 ILE 51 HG12 0.11 0.12 -0.44 -0.04 1.49 1.24 2or9M1 ILE 51 HG13 0.22 -0.08 -0.17 -0.04 1.21 1.14 2or9M1 ILE 51 HG23 0.01 0.04 -0.19 -0.04 0.93 0.75 2or9M1 ILE 51 HD13 0.38 -0.15 -0.51 -0.04 0.88 0.56 2or9M1 SER 52 H -0.08 0.62 -0.08 -0.55 8.46 8.37 2or9M1 SER 52 HA -0.03 0.26 1.09 -0.75 4.49 5.05 2or9M1 SER 52 HB2 -0.04 -0.03 0.23 -0.04 3.95 4.06 2or9M1 SER 52 HB3 -0.03 -0.02 0.05 -0.04 3.93 3.88 2or9M1 ASN 53 H -0.27 0.22 -0.08 -0.55 8.53 7.85 2or9M1 ASN 53 HA -0.20 0.17 1.01 -0.75 4.76 4.99 2or9M1 ASN 53 HB2 -1.72 0.06 0.07 -0.04 2.88 1.25 2or9M1 ASN 53 HB3 -0.75 0.04 0.03 -0.04 2.79 2.06 2or9M1 ASN 53 HD21 -0.00 -0.04 -0.05 -0.04 7.03 6.90 2or9M1 ASN 53 HD22 -0.08 0.02 0.02 -0.04 7.74 7.66 2or9M1 ARG 54 H -0.10 0.11 0.18 -0.55 8.46 8.10 2or9M1 ARG 54 HA -0.03 0.27 0.88 -0.75 4.34 4.70 2or9M1 ARG 54 HB2 0.00 -0.12 0.14 -0.04 1.90 1.88 2or9M1 ARG 54 HB3 0.03 0.14 0.07 -0.04 1.80 2.00 2or9M1 ARG 54 HG2 0.05 0.06 0.00 -0.04 1.67 1.73 2or9M1 ARG 54 HG3 0.01 -0.09 -0.10 -0.04 1.67 1.45 2or9M1 ARG 54 HD2 0.07 0.38 -0.09 -0.04 3.22 3.54 2or9M1 ARG 54 HD3 0.09 0.20 -0.13 -0.04 3.22 3.35 2or9M1 GLY 55 H 0.03 0.60 0.18 -0.55 8.43 8.69 2or9M1 GLY 55 HA2 0.21 -0.00 0.49 -0.51 4.01 4.20 2or9M1 GLY 55 HA3 0.08 0.16 0.15 -0.51 4.01 3.89 2or9M1 SER 56 H 0.06 0.05 0.09 -0.55 8.46 8.11 2or9M1 SER 56 HA 0.05 -0.02 0.35 -0.75 4.49 4.11 2or9M1 SER 56 HB2 0.03 -0.00 0.03 -0.04 3.95 3.97 2or9M1 SER 56 HB3 0.03 -0.01 0.12 -0.04 3.93 4.03 2or9M1 GLY 57 H 0.03 0.05 0.16 -0.55 8.43 8.12 2or9M1 GLY 57 HA2 0.03 -0.05 0.31 -0.51 4.01 3.80 2or9M1 GLY 57 HA3 0.02 0.01 0.34 -0.51 4.01 3.88 2or9M1 VAL 58 H 0.04 0.21 -0.10 -0.55 8.24 7.84 2or9M1 VAL 58 HA 0.01 0.18 0.91 -0.75 4.13 4.47 2or9M1 VAL 58 HB 0.02 -0.02 0.15 -0.04 2.12 2.23 2or9M1 VAL 58 HG13 -0.09 0.02 -0.04 -0.04 0.97 0.82 2or9M1 VAL 58 HG23 -0.05 0.04 -0.20 -0.04 0.95 0.70 2or9M1 PRO 59 HA 0.09 0.04 0.49 -0.51 4.44 4.54 2or9M1 PRO 59 HB2 0.09 -0.07 0.04 -0.04 2.28 2.31 2or9M1 PRO 59 HB3 0.09 0.04 0.09 -0.04 2.02 2.20 2or9M1 PRO 59 HG2 0.46 -0.01 0.06 -0.04 2.03 2.51 2or9M1 PRO 59 HG3 0.22 0.05 0.05 -0.04 2.03 2.30 2or9M1 PRO 59 HD2 0.16 0.15 0.21 -0.04 3.68 4.16 2or9M1 PRO 59 HD3 0.11 0.18 0.05 -0.04 3.65 3.95 2or9M1 ALA 60 H 0.05 0.10 0.18 -0.55 8.40 8.19 2or9M1 ALA 60 HA 0.06 0.20 0.37 -0.75 4.34 4.22 2or9M1 ALA 60 HB3 0.02 -0.01 0.11 -0.04 1.41 1.49 2or9M1 ARG 61 H 0.02 -0.08 -0.69 -0.55 8.46 7.15 2or9M1 ARG 61 HA -0.10 0.19 0.33 -0.75 4.34 4.00 2or9M1 ARG 61 HB2 -0.37 -0.01 -0.08 -0.04 1.90 1.40 2or9M1 ARG 61 HB3 -0.38 0.04 -0.10 -0.04 1.80 1.32 2or9M1 ARG 61 HG2 -0.11 0.08 -0.06 -0.04 1.67 1.54 2or9M1 ARG 61 HG3 -0.05 -0.13 -0.03 -0.04 1.67 1.42 2or9M1 ARG 61 HD2 -0.05 -0.05 -0.04 -0.04 3.22 3.04 2or9M1 ARG 61 HD3 0.00 -0.04 -0.03 -0.04 3.22 3.11 2or9M1 PHE 62 H 0.16 0.51 -0.29 -0.55 8.34 8.16 2or9M1 PHE 62 HA -0.06 0.33 0.98 -0.75 4.62 5.11 2or9M1 PHE 62 HB2 0.00 0.07 0.02 -0.04 3.15 3.20 2or9M1 PHE 62 HB3 -0.02 -0.07 -0.09 -0.04 3.06 2.84 2or9M1 PHE 62 HD2 -0.01 0.09 -0.06 -0.04 7.28 7.26 2or9M1 PHE 62 HE2 0.08 -0.02 -0.08 -0.04 7.38 7.32 2or9M1 PHE 62 HZ 0.09 -0.02 -0.10 -0.04 7.32 7.25 2or9M1 SER 63 H -0.00 0.51 0.36 -0.55 8.46 8.79 2or9M1 SER 63 HA 0.03 0.12 0.71 -0.75 4.49 4.60 2or9M1 SER 63 HB2 -0.00 0.01 0.04 -0.04 3.95 3.96 2or9M1 SER 63 HB3 -0.00 0.13 -0.17 -0.04 3.93 3.85 2or9M1 GLY 64 H 0.03 0.26 0.23 -0.55 8.43 8.41 2or9M1 GLY 64 HA2 0.06 0.26 1.12 -0.51 4.01 4.95 2or9M1 GLY 64 HA3 0.17 0.02 0.42 -0.51 4.01 4.10 2or9M1 SER 65 H 0.21 0.44 0.40 -0.55 8.46 8.96 2or9M1 SER 65 HA 0.10 0.17 0.73 -0.75 4.49 4.73 2or9M1 SER 65 HB2 0.03 -0.08 0.11 -0.04 3.95 3.96 2or9M1 SER 65 HB3 0.03 0.09 -0.21 -0.04 3.93 3.80 2or9M1 GLY 66 H 0.06 0.11 0.16 -0.55 8.43 8.21 2or9M1 GLY 66 HA2 -0.08 -0.03 0.41 -0.51 4.01 3.80 2or9M1 GLY 66 HA3 -0.07 0.33 1.11 -0.51 4.01 4.86 2or9M1 SER 67 H -0.43 0.41 0.33 -0.55 8.46 8.22 2or9M1 SER 67 HA 0.21 0.10 0.49 -0.75 4.49 4.53 2or9M1 SER 67 HB2 0.01 -0.08 0.08 -0.04 3.95 3.93 2or9M1 SER 67 HB3 0.01 0.16 -0.16 -0.04 3.93 3.89 2or9M1 GLY 68 H 0.10 0.15 0.10 -0.55 8.43 8.24 2or9M1 GLY 68 HA2 0.06 -0.03 0.44 -0.51 4.01 3.97 2or9M1 GLY 68 HA3 -0.04 0.10 0.49 -0.51 4.01 4.05 2or9M1 THR 69 H -0.13 0.21 0.36 -0.55 8.28 8.17 2or9M1 THR 69 HA 0.14 0.21 0.97 -0.75 4.39 4.95 2or9M1 THR 69 HB 0.02 0.17 0.20 -0.04 4.32 4.68 2or9M1 THR 69 HG23 0.03 -0.00 -0.39 -0.04 1.22 0.82 2or9M1 ASP 70 H -0.51 0.36 0.19 -0.55 8.40 7.90 2or9M1 ASP 70 HA -0.13 0.33 1.28 -0.75 4.63 5.35 2or9M1 ASP 70 HB2 -0.20 -0.06 0.20 -0.04 2.71 2.61 2or9M1 ASP 70 HB3 -0.13 0.05 -0.00 -0.04 2.70 2.58 2or9M1 PHE 71 H 0.14 0.70 0.39 -0.55 8.34 9.02 2or9M1 PHE 71 HA 0.12 0.24 1.05 -0.75 4.62 5.28 2or9M1 PHE 71 HB2 0.15 -0.05 -0.10 -0.04 3.15 3.11 2or9M1 PHE 71 HB3 0.25 0.11 0.08 -0.04 3.06 3.45 2or9M1 PHE 71 HD2 0.03 0.15 -0.37 -0.04 7.28 7.05 2or9M1 PHE 71 HE2 -0.01 0.06 -0.45 -0.04 7.38 6.94 2or9M1 PHE 71 HZ -0.01 -0.10 -0.43 -0.04 7.32 6.74 2or9M1 SER 72 H 0.40 0.51 0.36 -0.55 8.46 9.18 2or9M1 SER 72 HA 0.38 0.20 0.85 -0.75 4.49 5.17 2or9M1 SER 72 HB2 -0.00 0.10 -0.05 -0.04 3.95 3.96 2or9M1 SER 72 HB3 0.11 -0.01 -0.13 -0.04 3.93 3.85 2or9M1 LEU 73 H -0.48 0.74 0.37 -0.55 8.37 8.46 2or9M1 LEU 73 HA -0.57 0.20 0.92 -0.75 4.35 4.15 2or9M1 LEU 73 HB2 -2.69 -0.05 -0.00 -0.04 1.64 -1.15 2or9M1 LEU 73 HB3 -0.85 -0.08 0.07 -0.04 1.64 0.75 2or9M1 LEU 73 HG -0.96 -0.06 -0.08 -0.04 1.64 0.50 2or9M1 LEU 73 HD13 -0.29 -0.01 -0.13 -0.04 0.93 0.46 2or9M1 LEU 73 HD23 -0.13 0.02 -0.12 -0.04 0.89 0.61 2or9M1 ASN 74 H -0.17 0.74 0.39 -0.55 8.53 8.95 2or9M1 ASN 74 HA -0.16 0.33 1.19 -0.75 4.76 5.37 2or9M1 ASN 74 HB2 -0.08 0.03 0.07 -0.04 2.88 2.86 2or9M1 ASN 74 HB3 -0.08 -0.02 -0.06 -0.04 2.79 2.59 2or9M1 ASN 74 HD21 -0.04 -0.07 -0.27 -0.04 7.03 6.62 2or9M1 ASN 74 HD22 -0.05 0.11 -0.28 -0.04 7.74 7.48 2or9M1 ILE 75 H -0.15 0.43 0.24 -0.55 8.25 8.23 2or9M1 ILE 75 HA -0.36 0.49 0.95 -0.75 4.18 4.51 2or9M1 ILE 75 HB -0.23 -0.12 0.14 -0.04 1.89 1.64 2or9M1 ILE 75 HG12 -0.35 0.07 -0.18 -0.04 1.49 0.99 2or9M1 ILE 75 HG13 -0.23 -0.07 -0.44 -0.04 1.21 0.44 2or9M1 ILE 75 HG23 -0.48 -0.00 -0.24 -0.04 0.93 0.17 2or9M1 ILE 75 HD13 -0.23 -0.02 -0.14 -0.04 0.88 0.46 2or9M1 HIS 76 H -0.14 0.63 0.12 -0.55 8.41 8.47 2or9M1 HIS 76 HA -0.13 0.11 0.58 -0.75 4.63 4.43 2or9M1 HIS 76 HB2 -0.10 -0.07 -0.18 -0.04 3.26 2.86 2or9M1 HIS 76 HB3 -0.10 0.03 0.02 -0.04 3.20 3.10 2or9M1 HIS 76 HD2 -0.07 0.00 -0.32 -0.04 6.97 6.54 2or9M1 HIS 76 HE1 -0.04 -0.04 -0.01 -0.04 7.75 7.60 2or9M1 PRO 77 HA -0.55 0.31 0.18 -0.51 4.44 3.87 2or9M1 PRO 77 HB2 -0.23 -0.10 0.09 -0.04 2.28 2.00 2or9M1 PRO 77 HB3 -0.42 0.14 0.14 -0.04 2.02 1.84 2or9M1 PRO 77 HG2 -0.16 -0.04 -0.13 -0.04 2.03 1.67 2or9M1 PRO 77 HG3 -0.14 0.00 0.04 -0.04 2.03 1.89 2or9M1 PRO 77 HD2 -0.12 0.04 0.32 -0.04 3.68 3.88 2or9M1 PRO 77 HD3 -0.14 0.08 0.17 -0.04 3.65 3.72 2or9M1 VAL 78 H -0.19 0.25 0.07 -0.55 8.24 7.82 2or9M1 VAL 78 HA -0.17 0.12 0.63 -0.75 4.13 3.95 2or9M1 VAL 78 HB -0.10 -0.01 -0.00 -0.04 2.12 1.97 2or9M1 VAL 78 HG13 -0.05 -0.00 -0.23 -0.04 0.97 0.64 2or9M1 VAL 78 HG23 -0.13 0.07 -0.16 -0.04 0.95 0.69 2or9M1 GLU 79 H -0.07 0.19 0.10 -0.55 8.60 8.28 2or9M1 GLU 79 HA -0.05 0.19 0.89 -0.75 4.29 4.56 2or9M1 GLU 79 HB2 -0.00 -0.01 -0.01 -0.04 2.09 2.02 2or9M1 GLU 79 HB3 -0.02 -0.04 0.11 -0.04 1.99 2.00 2or9M1 GLU 79 HG2 -0.07 0.05 -0.25 -0.04 2.34 2.03 2or9M1 GLU 79 HG3 -0.09 0.09 -0.27 -0.04 2.34 2.04 2or9M1 GLU 80 H -0.02 0.17 0.11 -0.55 8.60 8.31 2or9M1 GLU 80 HA -0.02 0.03 0.23 -0.75 4.29 3.77 2or9M1 GLU 80 HB2 -0.01 -0.04 0.11 -0.04 2.09 2.10 2or9M1 GLU 80 HB3 -0.02 0.10 -0.29 -0.04 1.99 1.74 2or9M1 GLU 80 HG2 -0.03 0.26 -0.13 -0.04 2.34 2.39 2or9M1 GLU 80 HG3 -0.04 -0.05 -0.09 -0.04 2.34 2.12 2or9M1 ASP 81 H 0.02 -0.04 -0.28 -0.55 8.40 7.55 2or9M1 ASP 81 HA 0.03 0.13 0.44 -0.75 4.63 4.48 2or9M1 ASP 81 HB2 0.04 -0.03 0.09 -0.04 2.71 2.77 2or9M1 ASP 81 HB3 0.07 -0.04 -0.02 -0.04 2.70 2.67 2or9M1 ASP 82 H 0.07 0.41 -0.38 -0.55 8.40 7.96 2or9M1 ASP 82 HA 0.21 0.13 0.42 -0.75 4.63 4.64 2or9M1 ASP 82 HB2 0.08 0.04 -0.07 -0.04 2.71 2.72 2or9M1 ASP 82 HB3 0.24 -0.03 -0.03 -0.04 2.70 2.83 2or9M1 PRO 83 HA 0.14 0.17 0.47 -0.51 4.44 4.71 2or9M1 PRO 83 HB2 0.06 -0.03 0.11 -0.04 2.28 2.37 2or9M1 PRO 83 HB3 0.05 -0.21 0.15 -0.04 2.02 1.98 2or9M1 PRO 83 HG2 0.03 0.03 0.01 -0.04 2.03 2.06 2or9M1 PRO 83 HG3 0.00 0.01 -0.04 -0.04 2.03 1.96 2or9M1 PRO 83 HD2 0.05 0.09 -0.46 -0.04 3.68 3.32 2or9M1 PRO 83 HD3 0.04 -0.00 0.03 -0.04 3.65 3.67 2or9M1 ALA 84 H 0.23 0.23 0.47 -0.55 8.40 8.78 2or9M1 ALA 84 HA 0.04 -0.02 0.50 -0.75 4.34 4.12 2or9M1 ALA 84 HB3 -0.11 0.12 -0.09 -0.04 1.41 1.30 2or9M1 MET 85 H -0.06 0.72 0.37 -0.55 8.47 8.95 2or9M1 MET 85 HA -0.01 0.18 0.83 -0.75 4.52 4.76 2or9M1 MET 85 HB2 0.08 0.06 0.17 -0.04 2.15 2.42 2or9M1 MET 85 HB3 -0.28 -0.02 -0.07 -0.04 2.03 1.62 2or9M1 MET 85 HG2 0.03 -0.03 -0.03 -0.04 2.63 2.56 2or9M1 MET 85 HG3 0.07 -0.01 -0.03 -0.04 2.56 2.56 2or9M1 MET 85 HE3 -0.30 0.03 -0.18 -0.04 2.10 1.60 2or9M1 TYR 86 H 0.03 0.45 0.29 -0.55 8.29 8.52 2or9M1 TYR 86 HA 0.21 0.32 1.11 -0.75 4.56 5.45 2or9M1 TYR 86 HB2 0.04 0.00 0.14 -0.04 3.06 3.20 2or9M1 TYR 86 HB3 0.17 -0.01 0.03 -0.04 2.98 3.13 2or9M1 TYR 86 HD2 0.06 0.09 -0.14 -0.04 7.15 7.12 2or9M1 TYR 86 HE2 0.09 0.01 -0.08 -0.04 6.85 6.83 2or9M1 PHE 87 H 0.66 0.39 0.21 -0.55 8.34 9.04 2or9M1 PHE 87 HA 0.33 0.12 1.02 -0.75 4.62 5.33 2or9M1 PHE 87 HB2 0.30 -0.04 -0.09 -0.04 3.15 3.28 2or9M1 PHE 87 HB3 0.26 0.05 -0.00 -0.04 3.06 3.32 2or9M1 PHE 87 HD2 0.10 0.11 -0.25 -0.04 7.28 7.19 2or9M1 PHE 87 HE2 -0.02 0.07 -0.16 -0.04 7.38 7.23 2or9M1 PHE 87 HZ -0.03 0.00 -0.09 -0.04 7.32 7.16 2or9M1 CYS 88 H 0.23 0.04 0.20 -0.55 8.50 8.43 2or9M1 CYS 88 HA -0.47 0.29 1.01 -0.75 4.58 4.65 2or9M1 CYS 88 HB2 -0.79 0.04 -0.06 -0.04 2.97 2.12 2or9M1 CYS 88 HB3 -2.06 0.05 -0.09 -0.04 2.97 0.83 2or9M1 GLN 89 H -0.20 0.93 0.30 -0.55 8.47 8.95 2or9M1 GLN 89 HA -0.15 0.36 0.92 -0.75 4.36 4.74 2or9M1 GLN 89 HB2 0.14 -0.02 -0.23 -0.04 2.15 1.99 2or9M1 GLN 89 HB3 0.26 -0.07 -0.05 -0.04 2.02 2.12 2or9M1 GLN 89 HG2 -0.21 0.11 -0.38 -0.04 2.40 1.87 2or9M1 GLN 89 HG3 -0.92 0.01 -0.34 -0.04 2.39 1.10 2or9M1 GLN 89 HE21 0.11 -0.02 -0.13 -0.04 6.97 6.89 2or9M1 GLN 89 HE22 -0.70 0.06 -0.24 -0.04 7.69 6.77 2or9M1 GLN 90 H -0.17 0.63 0.27 -0.55 8.47 8.65 2or9M1 GLN 90 HA -0.23 0.14 0.79 -0.75 4.36 4.31 2or9M1 GLN 90 HB2 -0.12 -0.01 0.05 -0.04 2.15 2.03 2or9M1 GLN 90 HB3 -0.09 0.01 0.25 -0.04 2.02 2.15 2or9M1 GLN 90 HG2 -0.10 0.02 0.11 -0.04 2.40 2.39 2or9M1 GLN 90 HG3 -0.04 0.02 0.00 -0.04 2.39 2.33 2or9M1 GLN 90 HE21 0.06 0.40 0.05 -0.04 6.97 7.44 2or9M1 GLN 90 HE22 -0.01 -0.04 0.14 -0.04 7.69 7.74 2or9M1 THR 91 H -0.27 0.65 0.30 -0.55 8.28 8.41 2or9M1 THR 91 HA -1.27 0.23 0.90 -0.75 4.39 3.50 2or9M1 THR 91 HB -1.75 0.01 0.12 -0.04 4.32 2.65 2or9M1 THR 91 HG23 -0.68 0.01 -0.30 -0.04 1.22 0.20 2or9M1 LYS 92 H -0.20 0.07 0.04 -0.55 8.42 7.78 2or9M1 LYS 92 HA -0.53 0.10 0.65 -0.75 4.32 3.79 2or9M1 LYS 92 HB2 0.08 0.11 0.16 -0.04 1.87 2.18 2or9M1 LYS 92 HB3 -0.04 -0.06 0.16 -0.04 1.79 1.81 2or9M1 LYS 92 HG2 -0.08 -0.02 -0.36 -0.04 1.46 0.97 2or9M1 LYS 92 HG3 -0.15 -0.05 -0.05 -0.04 1.46 1.16 2or9M1 LYS 92 HD2 0.10 0.12 -0.42 -0.04 1.69 1.45 2or9M1 LYS 92 HD3 0.03 0.03 -0.03 -0.04 1.68 1.67 2or9M1 LYS 92 HE2 -0.03 -0.07 -0.09 -0.04 2.99 2.76 2or9M1 LYS 92 HE3 -0.04 -0.05 -0.03 -0.04 2.99 2.82 2or9M1 GLU 93 H -0.03 0.08 -0.02 -0.55 8.60 8.09 2or9M1 GLU 93 HA 0.06 0.17 0.89 -0.75 4.29 4.66 2or9M1 GLU 93 HB2 0.03 -0.07 -0.03 -0.04 2.09 1.98 2or9M1 GLU 93 HB3 0.04 0.21 -0.13 -0.04 1.99 2.08 2or9M1 GLU 93 HG2 0.01 0.01 -0.02 -0.04 2.34 2.30 2or9M1 GLU 93 HG3 -0.02 0.00 -0.29 -0.04 2.34 2.00 2or9M1 VAL 94 H 0.11 0.12 0.08 -0.55 8.24 7.99 2or9M1 VAL 94 HA 0.11 -0.04 0.42 -0.75 4.13 3.86 2or9M1 VAL 94 HB 0.00 0.01 0.08 -0.04 2.12 2.17 2or9M1 VAL 94 HG13 -0.14 0.00 0.01 -0.04 0.97 0.80 2or9M1 VAL 94 HG23 0.01 0.00 -0.00 -0.04 0.95 0.92 2or9M1 PRO 95 HA -0.11 -0.05 0.42 -0.51 4.44 4.18 2or9M1 PRO 95 HB2 -0.03 0.12 0.00 -0.04 2.28 2.34 2or9M1 PRO 95 HB3 -0.05 -0.02 0.09 -0.04 2.02 2.00 2or9M1 PRO 95 HG2 0.02 0.03 0.04 -0.04 2.03 2.08 2or9M1 PRO 95 HG3 0.00 0.01 0.06 -0.04 2.03 2.07 2or9M1 PRO 95 HD2 0.02 0.13 0.40 -0.04 3.68 4.20 2or9M1 PRO 95 HD3 -0.00 0.05 0.08 -0.04 3.65 3.74 2or9M1 TRP 96 H -0.18 0.01 0.15 -0.55 7.97 7.41 2or9M1 TRP 96 HA -0.12 0.20 0.64 -0.75 4.62 4.58 2or9M1 TRP 96 HB2 -0.18 -0.10 0.10 -0.04 3.23 3.02 2or9M1 TRP 96 HB3 -0.20 0.15 0.08 -0.04 3.23 3.22 2or9M1 TRP 96 HD1 -0.08 0.30 -0.46 -0.04 7.22 6.94 2or9M1 TRP 96 HE1 -0.08 -0.00 -0.35 -0.04 10.20 9.73 2or9M1 TRP 96 HE3 -0.05 0.00 -0.06 -0.04 7.59 7.44 2or9M1 TRP 96 HZ2 -0.07 0.01 -0.06 -0.04 7.44 7.28 2or9M1 TRP 96 HZ3 -0.00 -0.02 -0.05 -0.04 7.13 7.02 2or9M1 TRP 96 HH2 -0.04 -0.02 -0.03 -0.04 7.19 7.06 2or9M1 THR 97 H -0.03 0.17 0.33 -0.55 8.28 8.20 2or9M1 THR 97 HA -0.10 0.18 1.05 -0.75 4.39 4.77 2or9M1 THR 97 HB 0.03 0.02 0.10 -0.04 4.32 4.43 2or9M1 THR 97 HG23 0.03 0.08 -0.13 -0.04 1.22 1.16 2or9M1 PHE 98 H 0.19 0.16 0.21 -0.55 8.34 8.34 2or9M1 PHE 98 HA 0.05 0.30 1.11 -0.75 4.62 5.32 2or9M1 PHE 98 HB2 0.02 0.02 0.06 -0.04 3.15 3.21 2or9M1 PHE 98 HB3 0.07 0.01 0.08 -0.04 3.06 3.19 2or9M1 PHE 98 HD2 -0.08 -0.00 -0.06 -0.04 7.28 7.10 2or9M1 PHE 98 HE2 -0.33 -0.00 -0.10 -0.04 7.38 6.91 2or9M1 PHE 98 HZ -0.15 -0.01 -0.09 -0.04 7.32 7.03 2or9M1 GLY 99 H 0.27 0.39 0.36 -0.55 8.43 8.89 2or9M1 GLY 99 HA2 0.14 0.25 0.55 -0.51 4.01 4.44 2or9M1 GLY 99 HA3 0.16 -0.12 0.36 -0.51 4.01 3.91 2or9M1 GLY 100 H 0.13 0.04 0.23 -0.55 8.43 8.29 2or9M1 GLY 100 HA2 0.17 0.12 0.52 -0.51 4.01 4.31 2or9M1 GLY 100 HA3 0.11 0.02 0.42 -0.51 4.01 4.05 2or9M1 GLY 101 H 0.10 -0.13 -0.15 -0.55 8.43 7.71 2or9M1 GLY 101 HA2 -0.36 0.21 0.41 -0.51 4.01 3.76 2or9M1 GLY 101 HA3 -0.56 0.16 0.67 -0.51 4.01 3.76 2or9M1 THR 102 H -0.09 0.47 0.33 -0.55 8.28 8.44 2or9M1 THR 102 HA 0.01 0.44 1.08 -0.75 4.39 5.16 2or9M1 THR 102 HB 0.09 -0.10 0.08 -0.04 4.32 4.36 2or9M1 THR 102 HG23 0.02 -0.04 -0.49 -0.04 1.22 0.67 2or9M1 LYS 103 H 0.02 0.65 0.41 -0.55 8.42 8.93 2or9M1 LYS 103 HA 0.07 0.23 0.90 -0.75 4.32 4.77 2or9M1 LYS 103 HB2 0.02 -0.00 0.09 -0.04 1.87 1.93 2or9M1 LYS 103 HB3 0.03 -0.05 0.23 -0.04 1.79 1.95 2or9M1 LYS 103 HG2 0.06 -0.07 -0.34 -0.04 1.46 1.07 2or9M1 LYS 103 HG3 0.07 0.09 -0.05 -0.04 1.46 1.52 2or9M1 LYS 103 HD2 0.02 -0.03 -0.03 -0.04 1.69 1.62 2or9M1 LYS 103 HD3 0.05 -0.04 -0.07 -0.04 1.68 1.58 2or9M1 LYS 103 HE2 0.03 0.02 -0.03 -0.04 2.99 2.97 2or9M1 LYS 103 HE3 0.03 -0.03 -0.03 -0.04 2.99 2.92 2or9M1 LEU 104 H 0.17 0.71 0.42 -0.55 8.37 9.12 2or9M1 LEU 104 HA 0.04 0.20 1.00 -0.75 4.35 4.84 2or9M1 LEU 104 HB2 -0.02 -0.00 -0.08 -0.04 1.64 1.50 2or9M1 LEU 104 HB3 0.25 0.01 0.18 -0.04 1.64 2.04 2or9M1 LEU 104 HG 0.05 -0.02 -0.48 -0.04 1.64 1.15 2or9M1 LEU 104 HD13 -0.06 0.01 -0.15 -0.04 0.93 0.69 2or9M1 LEU 104 HD23 -0.05 0.03 -0.23 -0.04 0.89 0.59 2or9M1 GLU 105 H 0.06 0.81 0.43 -0.55 8.60 9.35 2or9M1 GLU 105 HA 0.09 0.13 0.94 -0.75 4.29 4.71 2or9M1 GLU 105 HB2 0.11 -0.03 0.05 -0.04 2.09 2.18 2or9M1 GLU 105 HB3 0.19 0.04 0.07 -0.04 1.99 2.25 2or9M1 GLU 105 HG2 0.13 0.06 -0.11 -0.04 2.34 2.38 2or9M1 GLU 105 HG3 0.09 -0.05 -0.38 -0.04 2.34 1.95 2or9M1 ILE 106 H 0.07 0.14 0.15 -0.55 8.25 8.05 2or9M1 ILE 106 HA 0.03 0.26 0.74 -0.75 4.18 4.45 2or9M1 ILE 106 HB -0.01 -0.01 -0.02 -0.04 1.89 1.81 2or9M1 ILE 106 HG12 0.02 -0.03 0.01 -0.04 1.49 1.45 2or9M1 ILE 106 HG13 -0.01 0.02 -0.10 -0.04 1.21 1.08 2or9M1 ILE 106 HG23 -0.04 0.02 -0.16 -0.04 0.93 0.70 2or9M1 ILE 106 HD13 0.00 -0.00 -0.29 -0.04 0.88 0.56 2or9M1 LYS 107 H 0.00 0.59 0.12 -0.55 8.42 8.58 2or9M1 LYS 107 HA 0.16 0.14 0.83 -0.75 4.32 4.69 2or9M1 LYS 107 HB2 0.07 -0.03 -0.29 -0.04 1.87 1.58 2or9M1 LYS 107 HB3 0.01 -0.10 -0.17 -0.04 1.79 1.48 2or9M1 LYS 107 HG2 0.03 0.06 -0.20 -0.04 1.46 1.31 2or9M1 LYS 107 HG3 0.17 0.01 -0.03 -0.04 1.46 1.57 2or9M1 LYS 107 HD2 0.03 -0.05 -0.09 -0.04 1.69 1.54 2or9M1 LYS 107 HD3 0.06 0.01 -0.06 -0.04 1.68 1.64 2or9M1 LYS 107 HE2 0.08 -0.01 -0.09 -0.04 2.99 2.93 2or9M1 LYS 107 HE3 0.05 -0.02 -0.28 -0.04 2.99 2.71 2or9M1 ARG 108 H -0.78 0.21 0.08 -0.55 8.46 7.41 2or9M1 ARG 108 HA -0.19 0.12 0.83 -0.75 4.34 4.35 2or9M1 ARG 108 HB2 -0.24 -0.12 0.15 -0.04 1.90 1.64 2or9M1 ARG 108 HB3 -0.24 -0.02 -0.13 -0.04 1.80 1.36 2or9M1 ARG 108 HG2 -0.66 0.04 -0.08 -0.04 1.67 0.94 2or9M1 ARG 108 HG3 -1.34 0.00 -0.23 -0.04 1.67 0.07 2or9M1 ARG 108 HD2 -0.17 -0.01 -0.08 -0.04 3.22 2.92 2or9M1 ARG 108 HD3 -0.15 0.09 -0.22 -0.04 3.22 2.91 2or9M1 ALA 109 H -0.16 0.11 0.12 -0.55 8.40 7.92 2or9M1 ALA 109 HA -0.03 0.03 0.53 -0.75 4.34 4.11 2or9M1 ALA 109 HB3 -0.03 0.01 0.10 -0.04 1.41 1.45 2or9M1 ASP 110 H 0.09 0.02 0.16 -0.55 8.40 8.12 2or9M1 ASP 110 HA 0.37 0.20 0.35 -0.75 4.63 4.80 2or9M1 ASP 110 HB2 0.12 -0.07 0.09 -0.04 2.71 2.81 2or9M1 ASP 110 HB3 0.20 0.02 0.06 -0.04 2.70 2.95 2or9M1 ALA 111 H 0.33 0.53 0.38 -0.55 8.40 9.10 2or9M1 ALA 111 HA 0.12 0.06 0.77 -0.75 4.34 4.53 2or9M1 ALA 111 HB3 0.13 0.02 -0.01 -0.04 1.41 1.50 2or9M1 ALA 112 H 0.10 0.11 0.16 -0.55 8.40 8.23 2or9M1 ALA 112 HA 0.09 0.04 0.58 -0.75 4.34 4.29 2or9M1 ALA 112 HB3 0.06 0.02 0.09 -0.04 1.41 1.54 2or9M1 PRO 113 HA 0.15 0.35 0.40 -0.51 4.44 4.84 2or9M1 PRO 113 HB2 -0.07 -0.05 -0.17 -0.04 2.28 1.95 2or9M1 PRO 113 HB3 -0.33 0.03 -0.08 -0.04 2.02 1.60 2or9M1 PRO 113 HG2 -0.09 0.01 0.02 -0.04 2.03 1.94 2or9M1 PRO 113 HG3 -0.27 -0.02 -0.04 -0.04 2.03 1.67 2or9M1 PRO 113 HD2 -0.03 0.06 0.19 -0.04 3.68 3.86 2or9M1 PRO 113 HD3 -0.38 0.12 0.17 -0.04 3.65 3.52 2or9M1 THR 114 H 0.10 0.55 0.19 -0.55 8.28 8.57 2or9M1 THR 114 HA 0.04 0.11 0.72 -0.75 4.39 4.51 2or9M1 THR 114 HB 0.07 -0.11 0.18 -0.04 4.32 4.41 2or9M1 THR 114 HG23 0.05 -0.01 -0.14 -0.04 1.22 1.09 2or9M1 VAL 115 H 0.02 0.19 0.10 -0.55 8.24 8.00 2or9M1 VAL 115 HA 0.06 0.44 1.03 -0.75 4.13 4.90 2or9M1 VAL 115 HB -0.02 -0.02 -0.03 -0.04 2.12 2.02 2or9M1 VAL 115 HG13 -0.05 0.00 -0.22 -0.04 0.97 0.65 2or9M1 VAL 115 HG23 -0.04 0.02 -0.16 -0.04 0.95 0.73 2or9M1 SER 116 H 0.13 0.56 0.40 -0.55 8.46 9.01 2or9M1 SER 116 HA -0.01 0.16 0.86 -0.75 4.49 4.75 2or9M1 SER 116 HB2 0.51 -0.09 0.09 -0.04 3.95 4.43 2or9M1 SER 116 HB3 0.07 0.02 0.02 -0.04 3.93 4.00 2or9M1 ILE 117 H -0.24 0.28 0.17 -0.55 8.25 7.91 2or9M1 ILE 117 HA 0.14 0.24 1.01 -0.75 4.18 4.81 2or9M1 ILE 117 HB 0.04 -0.03 -0.24 -0.04 1.89 1.62 2or9M1 ILE 117 HG12 0.49 0.03 -0.30 -0.04 1.49 1.66 2or9M1 ILE 117 HG13 0.33 0.04 -0.09 -0.04 1.21 1.45 2or9M1 ILE 117 HG23 0.08 -0.02 -0.12 -0.04 0.93 0.84 2or9M1 ILE 117 HD13 0.29 -0.04 -0.18 -0.04 0.88 0.90 2or9M1 PHE 118 H 0.31 0.76 0.31 -0.55 8.34 9.16 2or9M1 PHE 118 HA -0.16 0.22 1.02 -0.75 4.62 4.95 2or9M1 PHE 118 HB2 -0.14 -0.10 0.11 -0.04 3.15 2.99 2or9M1 PHE 118 HB3 -0.11 0.08 0.04 -0.04 3.06 3.03 2or9M1 PHE 118 HD2 -0.10 0.10 -0.13 -0.04 7.28 7.12 2or9M1 PHE 118 HE2 0.11 -0.04 -0.12 -0.04 7.38 7.29 2or9M1 PHE 118 HZ 0.18 -0.00 -0.07 -0.04 7.32 7.38 2or9M1 PRO 119 HA -0.28 0.07 0.54 -0.51 4.44 4.27 2or9M1 PRO 119 HB2 -0.24 0.11 -0.02 -0.04 2.28 2.10 2or9M1 PRO 119 HB3 -0.57 0.02 0.05 -0.04 2.02 1.47 2or9M1 PRO 119 HG2 -0.43 0.07 0.05 -0.04 2.03 1.68 2or9M1 PRO 119 HG3 -1.48 0.01 -0.04 -0.04 2.03 0.48 2or9M1 PRO 119 HD2 -0.17 0.07 0.19 -0.04 3.68 3.73 2or9M1 PRO 119 HD3 -0.34 0.17 0.27 -0.04 3.65 3.71 2or9M1 PRO 120 HA -0.18 0.10 0.49 -0.51 4.44 4.34 2or9M1 PRO 120 HB2 -0.33 0.06 -0.01 -0.04 2.28 1.97 2or9M1 PRO 120 HB3 -0.32 -0.10 0.13 -0.04 2.02 1.69 2or9M1 PRO 120 HG2 -1.47 0.05 -0.06 -0.04 2.03 0.50 2or9M1 PRO 120 HG3 -0.50 -0.03 -0.28 -0.04 2.03 1.17 2or9M1 PRO 120 HD2 -0.19 0.11 0.11 -0.04 3.68 3.67 2or9M1 PRO 120 HD3 -0.15 0.10 0.08 -0.04 3.65 3.64 2or9M1 SER 121 H -0.10 0.01 0.18 -0.55 8.46 8.01 2or9M1 SER 121 HA -0.04 0.22 0.58 -0.75 4.49 4.50 2or9M1 SER 121 HB2 -0.03 -0.02 0.15 -0.04 3.95 4.01 2or9M1 SER 121 HB3 -0.05 0.13 0.14 -0.04 3.93 4.12 2or9M1 SER 122 H -0.02 0.19 0.17 -0.55 8.46 8.25 2or9M1 SER 122 HA -0.00 0.14 0.37 -0.75 4.49 4.24 2or9M1 SER 122 HB2 -0.00 0.07 0.16 -0.04 3.95 4.14 2or9M1 SER 122 HB3 -0.01 -0.05 0.10 -0.04 3.93 3.94 2or9M1 GLU 123 H -0.02 0.03 -0.24 -0.55 8.60 7.82 2or9M1 GLU 123 HA -0.01 0.15 0.41 -0.75 4.29 4.08 2or9M1 GLU 123 HB2 -0.02 -0.11 0.08 -0.04 2.09 1.99 2or9M1 GLU 123 HB3 -0.02 0.09 -0.07 -0.04 1.99 1.96 2or9M1 GLU 123 HG2 -0.01 0.05 -0.00 -0.04 2.34 2.34 2or9M1 GLU 123 HG3 -0.01 0.04 -0.01 -0.04 2.34 2.32 2or9M1 GLN 124 H -0.04 0.02 -0.10 -0.55 8.47 7.81 2or9M1 GLN 124 HA -0.04 0.03 0.20 -0.75 4.36 3.80 2or9M1 GLN 124 HB2 -0.06 -0.02 0.06 -0.04 2.15 2.08 2or9M1 GLN 124 HB3 -0.08 -0.00 0.03 -0.04 2.02 1.93 2or9M1 GLN 124 HG2 -0.09 0.21 -0.72 -0.04 2.40 1.76 2or9M1 GLN 124 HG3 -0.07 0.01 -0.10 -0.04 2.39 2.19 2or9M1 GLN 124 HE21 -0.14 0.16 0.13 -0.04 6.97 7.08 2or9M1 GLN 124 HE22 -0.13 -0.04 0.08 -0.04 7.69 7.56 2or9M1 LEU 125 H -0.04 0.26 -0.92 -0.55 8.37 7.13 2or9M1 LEU 125 HA -0.03 0.21 0.55 -0.75 4.35 4.32 2or9M1 LEU 125 HB2 -0.02 0.24 0.04 -0.04 1.64 1.86 2or9M1 LEU 125 HB3 0.01 0.01 0.09 -0.04 1.64 1.71 2or9M1 LEU 125 HG 0.07 -0.08 -0.02 -0.04 1.64 1.58 2or9M1 LEU 125 HD13 -0.06 0.01 -0.02 -0.04 0.93 0.82 2or9M1 LEU 125 HD23 0.08 0.01 -0.11 -0.04 0.89 0.83 2or9M1 THR 126 H -0.00 0.54 0.15 -0.55 8.28 8.42 2or9M1 THR 126 HA 0.01 0.00 0.56 -0.75 4.39 4.21 2or9M1 THR 126 HB 0.00 -0.05 0.22 -0.04 4.32 4.46 2or9M1 THR 126 HG23 0.01 0.01 0.10 -0.04 1.22 1.30 2or9M1 SER 127 H -0.01 0.14 -0.35 -0.55 8.46 7.70 2or9M1 SER 127 HA -0.01 0.05 0.51 -0.75 4.49 4.29 2or9M1 SER 127 HB2 -0.02 0.11 -0.16 -0.04 3.95 3.83 2or9M1 SER 127 HB3 -0.01 -0.08 0.05 -0.04 3.93 3.84 2or9M1 GLY 128 H -0.00 0.34 0.37 -0.55 8.43 8.58 2or9M1 GLY 128 HA2 0.01 -0.05 0.46 -0.51 4.01 3.91 2or9M1 GLY 128 HA3 -0.00 0.10 0.70 -0.51 4.01 4.30 2or9M1 GLY 129 H -0.03 0.65 0.28 -0.55 8.43 8.78 2or9M1 GLY 129 HA2 -0.04 0.14 1.06 -0.51 4.01 4.65 2or9M1 GLY 129 HA3 -0.05 -0.02 0.25 -0.51 4.01 3.68 2or9M1 ALA 130 H -0.11 0.49 0.14 -0.55 8.40 8.38 2or9M1 ALA 130 HA -0.28 0.05 0.63 -0.75 4.34 3.98 2or9M1 ALA 130 HB3 -0.40 0.02 -0.23 -0.04 1.41 0.76 2or9M1 SER 131 H -0.23 0.15 0.11 -0.55 8.46 7.94 2or9M1 SER 131 HA -0.23 0.43 1.15 -0.75 4.49 5.09 2or9M1 SER 131 HB2 -0.13 -0.09 0.04 -0.04 3.95 3.72 2or9M1 SER 131 HB3 -0.14 0.04 -0.16 -0.04 3.93 3.63 2or9M1 VAL 132 H -0.32 0.70 0.28 -0.55 8.24 8.34 2or9M1 VAL 132 HA -0.05 0.29 0.90 -0.75 4.13 4.51 2or9M1 VAL 132 HB -0.50 -0.09 0.13 -0.04 2.12 1.62 2or9M1 VAL 132 HG13 0.53 0.02 -0.16 -0.04 0.97 1.32 2or9M1 VAL 132 HG23 -0.27 -0.00 -0.10 -0.04 0.95 0.54 2or9M1 VAL 133 H 0.03 0.39 0.16 -0.55 8.24 8.27 2or9M1 VAL 133 HA 0.02 0.19 0.89 -0.75 4.13 4.48 2or9M1 VAL 133 HB -0.21 -0.01 0.08 -0.04 2.12 1.93 2or9M1 VAL 133 HG13 -0.79 -0.01 -0.23 -0.04 0.97 -0.10 2or9M1 VAL 133 HG23 -0.15 0.01 -0.15 -0.04 0.95 0.62 2or9M1 CYS 134 H 0.09 0.75 0.37 -0.55 8.50 9.17 2or9M1 CYS 134 HA 0.07 0.26 1.17 -0.75 4.58 5.33 2or9M1 CYS 134 HB2 -0.02 -0.03 -0.13 -0.04 2.97 2.74 2or9M1 CYS 134 HB3 -0.11 -0.07 0.12 -0.04 2.97 2.86 2or9M1 PHE 135 H 0.17 0.35 0.20 -0.55 8.34 8.51 2or9M1 PHE 135 HA 0.02 0.22 1.11 -0.75 4.62 5.22 2or9M1 PHE 135 HB2 0.17 -0.03 0.14 -0.04 3.15 3.38 2or9M1 PHE 135 HB3 0.06 0.01 -0.03 -0.04 3.06 3.05 2or9M1 PHE 135 HD2 0.02 0.05 -0.04 -0.04 7.28 7.26 2or9M1 PHE 135 HE2 -0.29 0.00 -0.10 -0.04 7.38 6.95 2or9M1 PHE 135 HZ -0.18 0.00 -0.10 -0.04 7.32 7.00 2or9M1 LEU 136 H 0.17 0.75 0.31 -0.55 8.37 9.05 2or9M1 LEU 136 HA 0.08 0.20 0.71 -0.75 4.35 4.58 2or9M1 LEU 136 HB2 -0.00 -0.02 0.14 -0.04 1.64 1.72 2or9M1 LEU 136 HB3 -0.09 0.01 -0.02 -0.04 1.64 1.49 2or9M1 LEU 136 HG -0.09 0.04 -0.16 -0.04 1.64 1.38 2or9M1 LEU 136 HD13 -0.09 -0.03 -0.49 -0.04 0.93 0.28 2or9M1 LEU 136 HD23 -0.22 -0.01 -0.16 -0.04 0.89 0.46 2or9M1 ASN 137 H 0.13 0.60 0.12 -0.55 8.53 8.84 2or9M1 ASN 137 HA 0.13 0.13 1.19 -0.75 4.76 5.46 2or9M1 ASN 137 HB2 0.05 0.09 0.08 -0.04 2.88 3.06 2or9M1 ASN 137 HB3 0.01 -0.03 0.06 -0.04 2.79 2.79 2or9M1 ASN 137 HD21 -0.30 -0.01 -0.08 -0.04 7.03 6.60 2or9M1 ASN 137 HD22 -0.07 0.03 -0.05 -0.04 7.74 7.61 2or9M1 ASN 138 H -0.02 0.03 0.10 -0.55 8.53 8.09 2or9M1 ASN 138 HA -0.09 0.01 0.29 -0.75 4.76 4.21 2or9M1 ASN 138 HB2 0.03 0.07 0.03 -0.04 2.88 2.96 2or9M1 ASN 138 HB3 -0.01 0.01 0.09 -0.04 2.79 2.84 2or9M1 ASN 138 HD21 -0.04 -0.02 -0.03 -0.04 7.03 6.90 2or9M1 ASN 138 HD22 -0.04 -0.01 -0.03 -0.04 7.74 7.61 2or9M1 PHE 139 H -0.45 0.61 0.11 -0.55 8.34 8.05 2or9M1 PHE 139 HA 0.02 0.25 0.68 -0.75 4.62 4.82 2or9M1 PHE 139 HB2 -0.39 0.09 0.02 -0.04 3.15 2.83 2or9M1 PHE 139 HB3 -0.13 -0.07 -0.30 -0.04 3.06 2.52 2or9M1 PHE 139 HD2 -0.04 0.06 -0.41 -0.04 7.28 6.85 2or9M1 PHE 139 HE2 0.07 0.14 -0.14 -0.04 7.38 7.42 2or9M1 PHE 139 HZ 0.20 -0.03 -0.25 -0.04 7.32 7.21 2or9M1 TYR 140 H 0.37 0.52 0.29 -0.55 8.29 8.93 2or9M1 TYR 140 HA 0.36 0.01 0.47 -0.75 4.56 4.65 2or9M1 TYR 140 HB2 0.07 0.07 -0.20 -0.04 3.06 2.97 2or9M1 TYR 140 HB3 0.13 0.08 -0.04 -0.04 2.98 3.11 2or9M1 TYR 140 HD2 0.08 0.09 -0.26 -0.04 7.15 7.02 2or9M1 TYR 140 HE2 0.11 0.09 0.04 -0.04 6.85 7.04 2or9M1 PRO 141 HA -1.26 0.12 0.33 -0.51 4.44 3.12 2or9M1 PRO 141 HB2 -0.20 -0.10 0.11 -0.04 2.28 2.05 2or9M1 PRO 141 HB3 -0.31 0.08 0.12 -0.04 2.02 1.87 2or9M1 PRO 141 HG2 0.01 0.06 -0.01 -0.04 2.03 2.05 2or9M1 PRO 141 HG3 -0.02 0.04 0.09 -0.04 2.03 2.10 2or9M1 PRO 141 HD2 0.12 0.07 0.28 -0.04 3.68 4.11 2or9M1 PRO 141 HD3 0.22 0.10 0.28 -0.04 3.65 4.21 2or9M1 LYS 142 H -0.37 0.13 0.10 -0.55 8.42 7.72 2or9M1 LYS 142 HA -0.22 0.09 0.27 -0.75 4.32 3.70 2or9M1 LYS 142 HB2 -1.19 0.01 0.11 -0.04 1.87 0.75 2or9M1 LYS 142 HB3 -0.39 -0.04 0.06 -0.04 1.79 1.38 2or9M1 LYS 142 HG2 -0.34 -0.01 -0.12 -0.04 1.46 0.96 2or9M1 LYS 142 HG3 -0.79 0.04 0.01 -0.04 1.46 0.68 2or9M1 LYS 142 HD2 -0.47 0.00 -0.01 -0.04 1.69 1.16 2or9M1 LYS 142 HD3 -0.37 -0.02 -0.05 -0.04 1.68 1.20 2or9M1 LYS 142 HE2 -0.30 -0.01 -0.03 -0.04 2.99 2.60 2or9M1 LYS 142 HE3 -0.58 -0.03 -0.04 -0.04 2.99 2.30 2or9M1 ASP 143 H -0.04 -0.02 -0.19 -0.55 8.40 7.60 2or9M1 ASP 143 HA 0.05 0.02 0.42 -0.75 4.63 4.36 2or9M1 ASP 143 HB2 -0.02 -0.03 0.08 -0.04 2.71 2.70 2or9M1 ASP 143 HB3 -0.00 0.05 -0.02 -0.04 2.70 2.68 2or9M1 ILE 144 H 0.22 0.23 0.28 -0.55 8.25 8.44 2or9M1 ILE 144 HA 0.10 0.15 0.74 -0.75 4.18 4.41 2or9M1 ILE 144 HB -0.22 0.13 -0.32 -0.04 1.89 1.44 2or9M1 ILE 144 HG12 -0.15 -0.04 -0.04 -0.04 1.49 1.22 2or9M1 ILE 144 HG13 -0.08 0.03 -0.01 -0.04 1.21 1.11 2or9M1 ILE 144 HG23 0.14 -0.00 -0.18 -0.04 0.93 0.85 2or9M1 ILE 144 HD13 -0.83 -0.01 -0.13 -0.04 0.88 -0.13 2or9M1 ASN 145 H -0.01 0.32 0.22 -0.55 8.53 8.51 2or9M1 ASN 145 HA 0.08 0.14 0.92 -0.75 4.76 5.14 2or9M1 ASN 145 HB2 0.04 0.02 -0.13 -0.04 2.88 2.76 2or9M1 ASN 145 HB3 0.01 0.06 0.11 -0.04 2.79 2.92 2or9M1 ASN 145 HD21 0.00 0.00 -0.19 -0.04 7.03 6.81 2or9M1 ASN 145 HD22 -0.01 -0.03 -0.16 -0.04 7.74 7.49 2or9M1 VAL 146 H 0.01 0.23 0.18 -0.55 8.24 8.11 2or9M1 VAL 146 HA -0.13 0.42 1.10 -0.75 4.13 4.76 2or9M1 VAL 146 HB -0.16 -0.04 -0.21 -0.04 2.12 1.67 2or9M1 VAL 146 HG13 -0.05 -0.02 -0.15 -0.04 0.97 0.71 2or9M1 VAL 146 HG23 -0.43 0.01 -0.21 -0.04 0.95 0.28 2or9M1 LYS 147 H -0.19 0.64 0.35 -0.55 8.42 8.67 2or9M1 LYS 147 HA 0.03 0.15 0.87 -0.75 4.32 4.61 2or9M1 LYS 147 HB2 -0.05 0.04 0.03 -0.04 1.87 1.85 2or9M1 LYS 147 HB3 0.01 0.02 -0.06 -0.04 1.79 1.72 2or9M1 LYS 147 HG2 0.03 0.02 0.06 -0.04 1.46 1.54 2or9M1 LYS 147 HG3 0.00 0.00 -0.24 -0.04 1.46 1.18 2or9M1 LYS 147 HD2 -0.01 0.00 -0.10 -0.04 1.69 1.55 2or9M1 LYS 147 HD3 0.01 -0.01 -0.05 -0.04 1.68 1.58 2or9M1 LYS 147 HE2 0.02 0.00 -0.02 -0.04 2.99 2.95 2or9M1 LYS 147 HE3 0.01 0.00 -0.07 -0.04 2.99 2.89 2or9M1 TRP 148 H 0.26 0.22 0.20 -0.55 7.97 8.11 2or9M1 TRP 148 HA 0.01 0.34 1.06 -0.75 4.62 5.28 2or9M1 TRP 148 HB2 0.01 -0.01 0.05 -0.04 3.23 3.23 2or9M1 TRP 148 HB3 0.03 0.02 -0.05 -0.04 3.23 3.19 2or9M1 TRP 148 HD1 0.00 0.02 -0.19 -0.04 7.22 7.01 2or9M1 TRP 148 HE1 -0.02 -0.06 -0.27 -0.04 10.20 9.80 2or9M1 TRP 148 HE3 0.07 0.07 -0.12 -0.04 7.59 7.57 2or9M1 TRP 148 HZ2 -0.03 0.11 -0.23 -0.04 7.44 7.24 2or9M1 TRP 148 HZ3 0.12 -0.01 -0.29 -0.04 7.13 6.91 2or9M1 TRP 148 HH2 0.03 -0.01 -0.50 -0.04 7.19 6.67 2or9M1 LYS 149 H 0.26 0.54 0.28 -0.55 8.42 8.95 2or9M1 LYS 149 HA 0.06 0.42 0.78 -0.75 4.32 4.82 2or9M1 LYS 149 HB2 0.02 -0.03 -0.07 -0.04 1.87 1.75 2or9M1 LYS 149 HB3 -0.01 -0.15 -0.26 -0.04 1.79 1.33 2or9M1 LYS 149 HG2 0.01 -0.01 -0.52 -0.04 1.46 0.90 2or9M1 LYS 149 HG3 0.03 0.01 -0.66 -0.04 1.46 0.80 2or9M1 LYS 149 HD2 -0.01 -0.02 -0.24 -0.04 1.69 1.38 2or9M1 LYS 149 HD3 -0.01 0.01 -0.26 -0.04 1.68 1.38 2or9M1 LYS 149 HE2 -0.00 -0.00 -0.17 -0.04 2.99 2.78 2or9M1 LYS 149 HE3 -0.01 -0.00 -0.20 -0.04 2.99 2.74 2or9M1 ILE 150 H -0.07 0.81 0.19 -0.55 8.25 8.64 2or9M1 ILE 150 HA -0.39 0.22 0.96 -0.75 4.18 4.21 2or9M1 ILE 150 HB -0.32 0.02 0.10 -0.04 1.89 1.65 2or9M1 ILE 150 HG12 0.07 0.01 -0.28 -0.04 1.49 1.25 2or9M1 ILE 150 HG13 -0.02 0.03 -0.13 -0.04 1.21 1.05 2or9M1 ILE 150 HG23 -0.60 -0.00 -0.08 -0.04 0.93 0.21 2or9M1 ILE 150 HD13 0.04 0.01 -0.10 -0.04 0.88 0.79 2or9M1 ASP 151 H -0.32 0.98 0.34 -0.55 8.40 8.85 2or9M1 ASP 151 HA -0.12 -0.04 0.42 -0.75 4.63 4.14 2or9M1 ASP 151 HB2 -0.06 0.14 -0.09 -0.04 2.71 2.67 2or9M1 ASP 151 HB3 -0.01 0.05 0.26 -0.04 2.70 2.95 2or9M1 GLY 152 H -0.08 0.09 -0.26 -0.55 8.43 7.63 2or9M1 GLY 152 HA2 -0.04 -0.01 0.18 -0.51 4.01 3.63 2or9M1 GLY 152 HA3 -0.04 0.08 0.28 -0.51 4.01 3.82 2or9M1 SER 153 H -0.08 0.38 -0.54 -0.55 8.46 7.67 2or9M1 SER 153 HA -0.02 0.18 1.03 -0.75 4.49 4.92 2or9M1 SER 153 HB2 -0.09 0.13 0.08 -0.04 3.95 4.04 2or9M1 SER 153 HB3 -0.04 0.03 -0.01 -0.04 3.93 3.88 2or9M1 GLU 154 H -0.00 0.12 0.15 -0.55 8.60 8.33 2or9M1 GLU 154 HA 0.05 0.31 0.65 -0.75 4.29 4.54 2or9M1 GLU 154 HB2 0.02 -0.03 0.14 -0.04 2.09 2.18 2or9M1 GLU 154 HB3 0.02 -0.04 0.08 -0.04 1.99 2.02 2or9M1 GLU 154 HG2 0.06 0.09 0.01 -0.04 2.34 2.46 2or9M1 GLU 154 HG3 0.05 0.06 0.12 -0.04 2.34 2.54 2or9M1 ARG 155 H 0.11 0.42 0.26 -0.55 8.46 8.70 2or9M1 ARG 155 HA 0.02 0.15 0.86 -0.75 4.34 4.61 2or9M1 ARG 155 HB2 0.03 0.02 -0.12 -0.04 1.90 1.80 2or9M1 ARG 155 HB3 0.07 -0.02 -0.11 -0.04 1.80 1.70 2or9M1 ARG 155 HG2 -0.04 0.04 -0.11 -0.04 1.67 1.52 2or9M1 ARG 155 HG3 -0.03 -0.06 -0.09 -0.04 1.67 1.44 2or9M1 ARG 155 HD2 -0.01 -0.01 0.15 -0.04 3.22 3.31 2or9M1 ARG 155 HD3 -0.03 0.05 -0.02 -0.04 3.22 3.17 2or9M1 GLN 156 H 0.01 0.01 0.16 -0.55 8.47 8.10 2or9M1 GLN 156 HA 0.05 0.21 0.89 -0.75 4.36 4.76 2or9M1 GLN 156 HB2 0.02 -0.04 0.07 -0.04 2.15 2.15 2or9M1 GLN 156 HB3 0.03 0.01 0.01 -0.04 2.02 2.02 2or9M1 GLN 156 HG2 0.03 -0.03 -0.56 -0.04 2.40 1.81 2or9M1 GLN 156 HG3 0.03 -0.00 -0.09 -0.04 2.39 2.29 2or9M1 GLN 156 HE21 0.05 -0.00 0.01 -0.04 6.97 6.99 2or9M1 GLN 156 HE22 0.04 -0.02 -0.06 -0.04 7.69 7.61 2or9M1 ASN 157 H -0.00 0.03 0.18 -0.55 8.53 8.19 2or9M1 ASN 157 HA -0.01 0.10 0.72 -0.75 4.76 4.82 2or9M1 ASN 157 HB2 -0.01 0.03 0.15 -0.04 2.88 3.01 2or9M1 ASN 157 HB3 -0.01 0.04 0.10 -0.04 2.79 2.88 2or9M1 ASN 157 HD21 0.00 0.03 0.07 -0.04 7.03 7.09 2or9M1 ASN 157 HD22 -0.00 0.03 0.09 -0.04 7.74 7.81 2or9M1 GLY 158 H -0.02 0.15 0.30 -0.55 8.43 8.31 2or9M1 GLY 158 HA2 -0.06 0.01 0.38 -0.51 4.01 3.83 2or9M1 GLY 158 HA3 -0.09 0.40 1.01 -0.51 4.01 4.81 2or9M1 VAL 159 H -0.03 0.15 0.15 -0.55 8.24 7.95 2or9M1 VAL 159 HA -0.11 0.41 0.96 -0.75 4.13 4.63 2or9M1 VAL 159 HB 0.06 0.03 0.11 -0.04 2.12 2.28 2or9M1 VAL 159 HG13 0.23 -0.02 -0.20 -0.04 0.97 0.93 2or9M1 VAL 159 HG23 -0.08 -0.00 -0.30 -0.04 0.95 0.52 2or9M1 LEU 160 H 0.01 0.50 0.34 -0.55 8.37 8.68 2or9M1 LEU 160 HA 0.05 0.13 0.94 -0.75 4.35 4.71 2or9M1 LEU 160 HB2 0.00 -0.03 0.14 -0.04 1.64 1.70 2or9M1 LEU 160 HB3 0.03 0.04 0.01 -0.04 1.64 1.67 2or9M1 LEU 160 HG -0.02 -0.01 -0.44 -0.04 1.64 1.13 2or9M1 LEU 160 HD13 -0.01 -0.01 -0.08 -0.04 0.93 0.79 2or9M1 LEU 160 HD23 0.02 0.03 -0.00 -0.04 0.89 0.90 2or9M1 ASN 161 H 0.09 0.18 0.18 -0.55 8.53 8.43 2or9M1 ASN 161 HA -0.08 0.38 1.16 -0.75 4.76 5.47 2or9M1 ASN 161 HB2 0.17 -0.01 0.08 -0.04 2.88 3.08 2or9M1 ASN 161 HB3 -0.57 -0.01 0.02 -0.04 2.79 2.19 2or9M1 ASN 161 HD21 0.13 0.03 -0.08 -0.04 7.03 7.07 2or9M1 ASN 161 HD22 0.19 0.02 -0.01 -0.04 7.74 7.90 2or9M1 SER 162 H -0.27 0.37 0.27 -0.55 8.46 8.29 2or9M1 SER 162 HA 0.27 0.08 0.72 -0.75 4.49 4.80 2or9M1 SER 162 HB2 0.08 0.07 -0.16 -0.04 3.95 3.91 2or9M1 SER 162 HB3 0.04 -0.03 0.05 -0.04 3.93 3.95 2or9M1 TRP 163 H 0.73 0.15 0.17 -0.55 7.97 8.48 2or9M1 TRP 163 HA 0.10 0.21 1.03 -0.75 4.62 5.21 2or9M1 TRP 163 HB2 0.04 -0.05 0.10 -0.04 3.23 3.28 2or9M1 TRP 163 HB3 0.06 0.15 0.08 -0.04 3.23 3.48 2or9M1 TRP 163 HD1 0.14 0.06 -0.01 -0.04 7.22 7.36 2or9M1 TRP 163 HE1 0.12 0.07 -0.02 -0.04 10.20 10.33 2or9M1 TRP 163 HE3 0.05 -0.04 0.00 -0.04 7.59 7.56 2or9M1 TRP 163 HZ2 0.04 0.08 -0.01 -0.04 7.44 7.50 2or9M1 TRP 163 HZ3 0.05 0.04 -0.11 -0.04 7.13 7.07 2or9M1 TRP 163 HH2 0.04 0.01 -0.02 -0.04 7.19 7.18 2or9M1 THR 164 H 0.24 0.43 0.35 -0.55 8.28 8.75 2or9M1 THR 164 HA 0.13 0.12 0.73 -0.75 4.39 4.62 2or9M1 THR 164 HB 0.05 0.01 0.13 -0.04 4.32 4.47 2or9M1 THR 164 HG23 0.04 0.00 -0.07 -0.04 1.22 1.15 2or9M1 ASP 165 H 0.09 0.07 0.14 -0.55 8.40 8.15 2or9M1 ASP 165 HA 0.16 0.07 0.52 -0.75 4.63 4.62 2or9M1 ASP 165 HB2 0.05 -0.01 0.08 -0.04 2.71 2.79 2or9M1 ASP 165 HB3 0.07 0.09 0.10 -0.04 2.70 2.92 2or9M1 GLN 166 H 0.13 0.08 0.12 -0.55 8.47 8.25 2or9M1 GLN 166 HA -0.44 0.15 0.41 -0.75 4.36 3.71 2or9M1 GLN 166 HB2 0.02 -0.05 0.12 -0.04 2.15 2.19 2or9M1 GLN 166 HB3 -0.03 0.03 0.10 -0.04 2.02 2.08 2or9M1 GLN 166 HG2 -0.20 0.08 -0.12 -0.04 2.40 2.12 2or9M1 GLN 166 HG3 -0.75 0.06 -0.17 -0.04 2.39 1.49 2or9M1 GLN 166 HE21 0.20 0.38 0.17 -0.04 6.97 7.68 2or9M1 GLN 166 HE22 -0.01 0.26 0.02 -0.04 7.69 7.92 2or9M1 ASP 167 H -0.24 0.57 0.28 -0.55 8.40 8.45 2or9M1 ASP 167 HA -0.06 0.09 0.48 -0.75 4.63 4.39 2or9M1 ASP 167 HB2 -0.11 0.21 0.14 -0.04 2.71 2.90 2or9M1 ASP 167 HB3 -0.10 -0.33 0.13 -0.04 2.70 2.35 2or9M1 SER 168 H -0.03 0.16 0.17 -0.55 8.46 8.22 2or9M1 SER 168 HA -0.02 0.36 0.55 -0.75 4.49 4.62 2or9M1 SER 168 HB2 0.01 0.02 0.13 -0.04 3.95 4.06 2or9M1 SER 168 HB3 0.00 0.14 0.09 -0.04 3.93 4.13 2or9M1 LYS 169 H -0.04 -0.10 -0.28 -0.55 8.42 7.45 2or9M1 LYS 169 HA -0.02 0.24 0.89 -0.75 4.32 4.68 2or9M1 LYS 169 HB2 -0.03 -0.03 0.03 -0.04 1.87 1.80 2or9M1 LYS 169 HB3 -0.02 0.05 0.03 -0.04 1.79 1.81 2or9M1 LYS 169 HG2 -0.02 -0.15 -0.22 -0.04 1.46 1.03 2or9M1 LYS 169 HG3 -0.02 0.02 -0.02 -0.04 1.46 1.39 2or9M1 LYS 169 HD2 -0.01 0.02 -0.08 -0.04 1.69 1.59 2or9M1 LYS 169 HD3 -0.01 0.00 -0.03 -0.04 1.68 1.60 2or9M1 LYS 169 HE2 -0.01 0.12 -0.10 -0.04 2.99 2.96 2or9M1 LYS 169 HE3 -0.00 0.01 -0.03 -0.04 2.99 2.92 2or9M1 ASP 170 H -0.05 -0.08 -0.03 -0.55 8.40 7.70 2or9M1 ASP 170 HA -0.05 0.28 0.89 -0.75 4.63 5.00 2or9M1 ASP 170 HB2 -0.04 0.08 0.09 -0.04 2.71 2.80 2or9M1 ASP 170 HB3 -0.03 0.00 -0.15 -0.04 2.70 2.48 2or9M1 SER 171 H -0.07 0.24 -0.07 -0.55 8.46 8.01 2or9M1 SER 171 HA -0.12 0.24 0.35 -0.75 4.49 4.21 2or9M1 SER 171 HB2 -0.13 0.10 -0.03 -0.04 3.95 3.86 2or9M1 SER 171 HB3 -0.07 -0.03 0.06 -0.04 3.93 3.84 2or9M1 THR 172 H -0.14 -0.13 -0.23 -0.55 8.28 7.23 2or9M1 THR 172 HA -0.03 0.31 0.91 -0.75 4.39 4.82 2or9M1 THR 172 HB -0.06 0.10 -0.15 -0.04 4.32 4.16 2or9M1 THR 172 HG23 -0.02 0.05 -0.27 -0.04 1.22 0.94 2or9M1 TYR 173 H -0.28 0.84 0.31 -0.55 8.29 8.61 2or9M1 TYR 173 HA -0.17 0.19 0.94 -0.75 4.56 4.77 2or9M1 TYR 173 HB2 -0.78 0.09 -0.07 -0.04 3.06 2.26 2or9M1 TYR 173 HB3 -0.22 0.04 0.04 -0.04 2.98 2.80 2or9M1 TYR 173 HD2 -0.09 0.15 -0.15 -0.04 7.15 7.01 2or9M1 TYR 173 HE2 -0.10 -0.05 -0.00 -0.04 6.85 6.66 2or9M1 SER 174 H 0.03 0.27 0.27 -0.55 8.46 8.48 2or9M1 SER 174 HA 0.02 0.29 0.99 -0.75 4.49 5.04 2or9M1 SER 174 HB2 -0.01 -0.01 0.05 -0.04 3.95 3.94 2or9M1 SER 174 HB3 0.00 0.06 0.06 -0.04 3.93 4.02 2or9M1 MET 175 H 0.20 0.73 0.36 -0.55 8.47 9.21 2or9M1 MET 175 HA -0.19 0.24 0.99 -0.75 4.52 4.80 2or9M1 MET 175 HB2 -0.24 0.04 -0.16 -0.04 2.15 1.76 2or9M1 MET 175 HB3 -0.09 -0.02 0.01 -0.04 2.03 1.89 2or9M1 MET 175 HG2 -0.53 0.03 -0.26 -0.04 2.63 1.82 2or9M1 MET 175 HG3 -1.79 -0.03 -0.12 -0.04 2.56 0.58 2or9M1 MET 175 HE3 -0.26 0.00 -0.25 -0.04 2.10 1.55 2or9M1 SER 176 H -0.19 0.49 0.29 -0.55 8.46 8.50 2or9M1 SER 176 HA 0.20 0.20 1.09 -0.75 4.49 5.23 2or9M1 SER 176 HB2 0.33 -0.02 -0.04 -0.04 3.95 4.18 2or9M1 SER 176 HB3 0.08 0.07 0.14 -0.04 3.93 4.18 2or9M1 SER 177 H 0.04 0.71 0.35 -0.55 8.46 9.02 2or9M1 SER 177 HA 0.04 0.31 1.16 -0.75 4.49 5.25 2or9M1 SER 177 HB2 -0.02 -0.04 -0.11 -0.04 3.95 3.74 2or9M1 SER 177 HB3 0.11 0.01 0.07 -0.04 3.93 4.08 2or9M1 THR 178 H 0.09 0.46 0.29 -0.55 8.28 8.58 2or9M1 THR 178 HA 0.05 0.31 1.18 -0.75 4.39 5.18 2or9M1 THR 178 HB -0.02 0.00 0.09 -0.04 4.32 4.36 2or9M1 THR 178 HG23 -0.10 -0.01 -0.34 -0.04 1.22 0.73 2or9M1 LEU 179 H -0.46 0.71 0.26 -0.55 8.37 8.34 2or9M1 LEU 179 HA -0.42 0.33 0.85 -0.75 4.35 4.36 2or9M1 LEU 179 HB2 -2.16 -0.01 0.00 -0.04 1.64 -0.57 2or9M1 LEU 179 HB3 -0.86 -0.10 0.09 -0.04 1.64 0.74 2or9M1 LEU 179 HG -0.75 -0.04 -0.26 -0.04 1.64 0.55 2or9M1 LEU 179 HD13 -0.50 -0.02 -0.16 -0.04 0.93 0.20 2or9M1 LEU 179 HD23 -0.26 0.02 -0.25 -0.04 0.89 0.36 2or9M1 THR 180 H -0.19 0.89 0.40 -0.55 8.28 8.83 2or9M1 THR 180 HA -0.18 0.15 1.13 -0.75 4.39 4.74 2or9M1 THR 180 HB -0.09 -0.01 0.01 -0.04 4.32 4.18 2or9M1 THR 180 HG23 -0.10 -0.00 -0.18 -0.04 1.22 0.90 2or9M1 LEU 181 H -0.14 1.13 0.47 -0.55 8.37 9.28 2or9M1 LEU 181 HA -0.05 0.13 0.84 -0.75 4.35 4.52 2or9M1 LEU 181 HB2 -0.06 0.05 -0.07 -0.04 1.64 1.52 2or9M1 LEU 181 HB3 0.03 -0.10 0.02 -0.04 1.64 1.55 2or9M1 LEU 181 HG -0.12 -0.03 -0.49 -0.04 1.64 0.96 2or9M1 LEU 181 HD13 0.10 -0.00 -0.17 -0.04 0.93 0.81 2or9M1 LEU 181 HD23 -0.02 0.04 0.06 -0.04 0.89 0.92 2or9M1 THR 182 H 0.01 0.09 0.16 -0.55 8.28 7.99 2or9M1 THR 182 HA -0.01 0.27 0.64 -0.75 4.39 4.54 2or9M1 THR 182 HB 0.01 0.10 0.19 -0.04 4.32 4.58 2or9M1 THR 182 HG23 0.01 0.04 0.09 -0.04 1.22 1.32 2or9M1 LYS 183 H 0.02 0.42 0.07 -0.55 8.42 8.37 2or9M1 LYS 183 HA 0.09 0.14 0.19 -0.75 4.32 3.99 2or9M1 LYS 183 HB2 0.02 0.01 -0.07 -0.04 1.87 1.79 2or9M1 LYS 183 HB3 0.04 -0.05 0.11 -0.04 1.79 1.84 2or9M1 LYS 183 HG2 0.07 -0.03 -0.20 -0.04 1.46 1.26 2or9M1 LYS 183 HG3 0.09 0.04 0.02 -0.04 1.46 1.57 2or9M1 LYS 183 HD2 0.02 0.26 0.23 -0.04 1.69 2.16 2or9M1 LYS 183 HD3 0.03 -0.05 0.04 -0.04 1.68 1.65 2or9M1 LYS 183 HE2 0.05 -0.03 -0.04 -0.04 2.99 2.92 2or9M1 LYS 183 HE3 0.05 -0.01 -0.08 -0.04 2.99 2.91 2or9M1 ASP 184 H 0.05 0.10 -0.12 -0.55 8.40 7.88 2or9M1 ASP 184 HA 0.05 0.16 0.47 -0.75 4.63 4.55 2or9M1 ASP 184 HB2 0.03 -0.03 0.03 -0.04 2.71 2.71 2or9M1 ASP 184 HB3 0.02 0.07 -0.00 -0.04 2.70 2.75 2or9M1 GLU 185 H 0.07 0.00 -0.25 -0.55 8.60 7.87 2or9M1 GLU 185 HA 0.09 0.10 0.36 -0.75 4.29 4.08 2or9M1 GLU 185 HB2 0.06 -0.06 0.11 -0.04 2.09 2.16 2or9M1 GLU 185 HB3 0.08 0.03 0.07 -0.04 1.99 2.13 2or9M1 GLU 185 HG2 0.11 0.06 -0.03 -0.04 2.34 2.43 2or9M1 GLU 185 HG3 0.08 0.02 0.06 -0.04 2.34 2.46 2or9M1 TYR 186 H 0.20 0.29 -0.59 -0.55 8.29 7.64 2or9M1 TYR 186 HA 0.18 0.06 0.46 -0.75 4.56 4.51 2or9M1 TYR 186 HB2 -0.04 -0.03 -0.09 -0.04 3.06 2.86 2or9M1 TYR 186 HB3 0.01 0.12 0.06 -0.04 2.98 3.13 2or9M1 TYR 186 HD2 -0.25 0.00 -0.08 -0.04 7.15 6.78 2or9M1 TYR 186 HE2 -0.25 -0.01 -0.07 -0.04 6.85 6.48 2or9M1 GLU 187 H 0.10 0.42 -0.03 -0.55 8.60 8.54 2or9M1 GLU 187 HA -0.22 0.14 0.58 -0.75 4.29 4.04 2or9M1 GLU 187 HB2 0.03 0.04 0.16 -0.04 2.09 2.28 2or9M1 GLU 187 HB3 -0.02 -0.05 0.13 -0.04 1.99 2.01 2or9M1 GLU 187 HG2 -0.04 0.00 0.04 -0.04 2.34 2.31 2or9M1 GLU 187 HG3 0.09 0.00 0.00 -0.04 2.34 2.39 2or9M1 ARG 188 H 0.04 0.13 -0.89 -0.55 8.46 7.19 2or9M1 ARG 188 HA -0.09 0.05 0.52 -0.75 4.34 4.06 2or9M1 ARG 188 HB2 -0.00 0.06 0.04 -0.04 1.90 1.96 2or9M1 ARG 188 HB3 0.08 0.16 0.02 -0.04 1.80 2.01 2or9M1 ARG 188 HG2 -0.30 -0.01 0.03 -0.04 1.67 1.35 2or9M1 ARG 188 HG3 -0.14 -0.04 0.10 -0.04 1.67 1.55 2or9M1 ARG 188 HD2 0.07 -0.01 0.00 -0.04 3.22 3.24 2or9M1 ARG 188 HD3 -0.01 -0.04 0.01 -0.04 3.22 3.14 2or9M1 HIS 189 H 0.01 0.44 -0.39 -0.55 8.41 7.92 2or9M1 HIS 189 HA -0.09 0.07 0.59 -0.75 4.63 4.45 2or9M1 HIS 189 HB2 -0.07 0.11 -0.08 -0.04 3.26 3.17 2or9M1 HIS 189 HB3 -0.29 -0.19 -0.00 -0.04 3.20 2.68 2or9M1 HIS 189 HD2 0.00 0.07 -0.19 -0.04 6.97 6.81 2or9M1 HIS 189 HE1 -0.05 -0.02 0.01 -0.04 7.75 7.65 2or9M1 ASN 190 H -0.07 0.02 0.17 -0.55 8.53 8.09 2or9M1 ASN 190 HA -0.03 0.35 1.26 -0.75 4.76 5.58 2or9M1 ASN 190 HB2 -0.04 0.11 -0.08 -0.04 2.88 2.83 2or9M1 ASN 190 HB3 -0.05 0.01 0.10 -0.04 2.79 2.80 2or9M1 ASN 190 HD21 -0.01 -0.05 -0.04 -0.04 7.03 6.89 2or9M1 ASN 190 HD22 -0.04 0.05 -0.10 -0.04 7.74 7.62 2or9M1 SER 191 H -0.22 0.04 0.22 -0.55 8.46 7.95 2or9M1 SER 191 HA -0.18 0.35 1.17 -0.75 4.49 5.09 2or9M1 SER 191 HB2 -0.09 0.02 0.05 -0.04 3.95 3.89 2or9M1 SER 191 HB3 -0.14 -0.13 0.25 -0.04 3.93 3.87 2or9M1 TYR 192 H -0.34 0.65 0.35 -0.55 8.29 8.40 2or9M1 TYR 192 HA -0.07 0.27 1.20 -0.75 4.56 5.21 2or9M1 TYR 192 HB2 -0.97 0.03 0.12 -0.04 3.06 2.20 2or9M1 TYR 192 HB3 -0.00 0.02 -0.04 -0.04 2.98 2.91 2or9M1 TYR 192 HD2 -0.15 0.04 -0.12 -0.04 7.15 6.88 2or9M1 TYR 192 HE2 -0.11 0.09 -0.15 -0.04 6.85 6.64 2or9M1 THR 193 H 0.11 0.61 0.35 -0.55 8.28 8.81 2or9M1 THR 193 HA 0.05 0.27 1.33 -0.75 4.39 5.29 2or9M1 THR 193 HB -0.03 0.09 -0.08 -0.04 4.32 4.27 2or9M1 THR 193 HG23 -0.04 -0.01 -0.27 -0.04 1.22 0.86 2or9M1 CYS 194 H -0.09 0.89 0.41 -0.55 8.50 9.15 2or9M1 CYS 194 HA -0.89 0.11 0.84 -0.75 4.58 3.89 2or9M1 CYS 194 HB2 -0.67 -0.01 -0.04 -0.04 2.97 2.21 2or9M1 CYS 194 HB3 -0.25 0.01 0.14 -0.04 2.97 2.83 2or9M1 GLU 195 H -0.40 0.69 0.30 -0.55 8.60 8.64 2or9M1 GLU 195 HA -0.14 0.29 1.19 -0.75 4.29 4.86 2or9M1 GLU 195 HB2 -0.09 -0.05 -0.24 -0.04 2.09 1.66 2or9M1 GLU 195 HB3 -0.11 0.04 0.06 -0.04 1.99 1.94 2or9M1 GLU 195 HG2 -0.07 -0.04 -0.35 -0.04 2.34 1.85 2or9M1 GLU 195 HG3 -0.06 0.06 -0.26 -0.04 2.34 2.04 2or9M1 ALA 196 H -0.12 0.75 0.31 -0.55 8.40 8.80 2or9M1 ALA 196 HA -0.12 0.33 1.10 -0.75 4.34 4.90 2or9M1 ALA 196 HB3 -0.14 -0.02 0.03 -0.04 1.41 1.24 2or9M1 THR 197 H -0.06 0.64 0.31 -0.55 8.28 8.62 2or9M1 THR 197 HA -0.01 0.14 0.85 -0.75 4.39 4.61 2or9M1 THR 197 HB -0.01 0.05 -0.07 -0.04 4.32 4.24 2or9M1 THR 197 HG23 -0.03 0.00 -0.24 -0.04 1.22 0.92 2or9M1 HIS 198 H 0.05 0.29 0.07 -0.55 8.41 8.28 2or9M1 HIS 198 HA -0.06 0.20 1.04 -0.75 4.63 5.06 2or9M1 HIS 198 HB2 -0.17 -0.01 -0.09 -0.04 3.26 2.95 2or9M1 HIS 198 HB3 -0.06 0.01 0.03 -0.04 3.20 3.14 2or9M1 HIS 198 HD2 -0.12 0.19 0.09 -0.04 6.97 7.09 2or9M1 HIS 198 HE1 0.18 0.26 -0.15 -0.04 7.75 8.00 2or9M1 LYS 199 H -0.63 0.27 0.15 -0.55 8.42 7.65 2or9M1 LYS 199 HA -0.14 0.05 0.35 -0.75 4.32 3.82 2or9M1 LYS 199 HB2 -0.32 0.04 0.15 -0.04 1.87 1.70 2or9M1 LYS 199 HB3 -0.54 0.04 0.08 -0.04 1.79 1.33 2or9M1 LYS 199 HG2 -0.09 -0.02 0.06 -0.04 1.46 1.38 2or9M1 LYS 199 HG3 -0.09 -0.01 0.04 -0.04 1.46 1.37 2or9M1 LYS 199 HD2 -0.04 0.03 -0.27 -0.04 1.69 1.37 2or9M1 LYS 199 HD3 -0.04 -0.01 0.02 -0.04 1.68 1.60 2or9M1 LYS 199 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.94 2or9M1 LYS 199 HE3 0.02 0.01 0.01 -0.04 2.99 2.99 2or9M1 THR 200 H -0.06 0.02 -0.62 -0.55 8.28 7.08 2or9M1 THR 200 HA 0.05 0.07 0.40 -0.75 4.39 4.16 2or9M1 THR 200 HB 0.13 -0.02 0.12 -0.04 4.32 4.51 2or9M1 THR 200 HG23 0.27 -0.02 -0.24 -0.04 1.22 1.18 2or9M1 SER 201 H -0.00 0.42 -0.59 -0.55 8.46 7.75 2or9M1 SER 201 HA 0.01 -0.05 0.33 -0.75 4.49 4.03 2or9M1 SER 201 HB2 0.03 0.28 0.30 -0.04 3.95 4.52 2or9M1 SER 201 HB3 0.03 0.02 -0.15 -0.04 3.93 3.78 2or9M1 THR 202 H 0.00 0.09 0.14 -0.55 8.28 7.97 2or9M1 THR 202 HA -0.01 0.16 0.61 -0.75 4.39 4.40 2or9M1 THR 202 HB -0.00 0.01 0.04 -0.04 4.32 4.32 2or9M1 THR 202 HG23 -0.01 0.00 -0.02 -0.04 1.22 1.16 2or9M1 SER 203 H 0.00 -0.03 -0.01 -0.55 8.46 7.88 2or9M1 SER 203 HA -0.01 0.14 0.62 -0.75 4.49 4.50 2or9M1 SER 203 HB2 0.00 -0.02 0.10 -0.04 3.95 3.99 2or9M1 SER 203 HB3 -0.00 0.08 0.03 -0.04 3.93 3.99 2or9M1 PRO 204 HA -0.02 0.14 0.55 -0.51 4.44 4.60 2or9M1 PRO 204 HB2 -0.03 -0.08 -0.10 -0.04 2.28 2.03 2or9M1 PRO 204 HB3 -0.04 0.07 -0.17 -0.04 2.02 1.84 2or9M1 PRO 204 HG2 -0.02 -0.03 -0.01 -0.04 2.03 1.93 2or9M1 PRO 204 HG3 -0.02 0.06 -0.04 -0.04 2.03 1.99 2or9M1 PRO 204 HD2 -0.01 0.02 0.18 -0.04 3.68 3.82 2or9M1 PRO 204 HD3 -0.01 0.34 0.35 -0.04 3.65 4.30 2or9M1 ILE 205 H -0.04 0.52 0.32 -0.55 8.25 8.50 2or9M1 ILE 205 HA -0.02 0.09 0.74 -0.75 4.18 4.24 2or9M1 ILE 205 HB -0.05 -0.07 0.19 -0.04 1.89 1.92 2or9M1 ILE 205 HG12 -0.01 0.01 0.02 -0.04 1.49 1.48 2or9M1 ILE 205 HG13 -0.01 0.03 0.01 -0.04 1.21 1.21 2or9M1 ILE 205 HG23 -0.03 -0.00 -0.10 -0.04 0.93 0.75 2or9M1 ILE 205 HD13 -0.00 -0.01 0.03 -0.04 0.88 0.86 2or9M1 VAL 206 H -0.03 0.21 0.18 -0.55 8.24 8.05 2or9M1 VAL 206 HA -0.08 0.35 1.24 -0.75 4.13 4.89 2or9M1 VAL 206 HB -0.05 -0.00 -0.06 -0.04 2.12 1.96 2or9M1 VAL 206 HG13 -0.04 0.03 -0.31 -0.04 0.97 0.61 2or9M1 VAL 206 HG23 -0.02 -0.02 -0.14 -0.04 0.95 0.72 2or9M1 LYS 207 H -0.07 0.67 0.36 -0.55 8.42 8.82 2or9M1 LYS 207 HA -0.01 0.13 0.78 -0.75 4.32 4.47 2or9M1 LYS 207 HB2 -0.04 -0.01 -0.19 -0.04 1.87 1.59 2or9M1 LYS 207 HB3 -0.01 -0.04 -0.13 -0.04 1.79 1.56 2or9M1 LYS 207 HG2 -0.02 -0.05 -0.10 -0.04 1.46 1.25 2or9M1 LYS 207 HG3 -0.01 -0.01 0.12 -0.04 1.46 1.52 2or9M1 LYS 207 HD2 -0.01 0.12 0.09 -0.04 1.69 1.85 2or9M1 LYS 207 HD3 -0.02 -0.05 -0.15 -0.04 1.68 1.43 2or9M1 LYS 207 HE2 -0.01 0.12 0.13 -0.04 2.99 3.18 2or9M1 LYS 207 HE3 -0.01 -0.06 0.08 -0.04 2.99 2.96 2or9M1 SER 208 H 0.05 0.27 0.21 -0.55 8.46 8.44 2or9M1 SER 208 HA 0.13 0.19 0.67 -0.75 4.49 4.72 2or9M1 SER 208 HB2 -0.03 -0.01 0.02 -0.04 3.95 3.89 2or9M1 SER 208 HB3 0.00 -0.04 -0.08 -0.04 3.93 3.77 2or9M1 PHE 209 H -0.13 0.46 0.31 -0.55 8.34 8.42 2or9M1 PHE 209 HA 0.04 0.05 0.51 -0.75 4.62 4.47 2or9M1 PHE 209 HB2 0.05 0.07 0.09 -0.04 3.15 3.32 2or9M1 PHE 209 HB3 0.04 0.13 -0.17 -0.04 3.06 3.01 2or9M1 PHE 209 HD2 0.12 0.05 -0.44 -0.04 7.28 6.97 2or9M1 PHE 209 HE2 0.21 0.02 -0.20 -0.04 7.38 7.37 2or9M1 PHE 209 HZ 0.00 -0.01 -0.08 -0.04 7.32 7.19 2or9M1 ASN 210 H 0.22 0.23 0.17 -0.55 8.53 8.60 2or9M1 ASN 210 HA 0.01 0.34 1.09 -0.75 4.76 5.44 2or9M1 ASN 210 HB2 0.08 -0.04 0.19 -0.04 2.88 3.07 2or9M1 ASN 210 HB3 0.04 -0.07 0.08 -0.04 2.79 2.80 2or9M1 ASN 210 HD21 0.02 0.04 -0.05 -0.04 7.03 7.00 2or9M1 ASN 210 HD22 0.04 -0.00 0.02 -0.04 7.74 7.76 2or9M1 ARG 211 H 0.10 0.71 0.40 -0.55 8.46 9.13 2or9M1 ARG 211 HA 0.33 0.08 0.37 -0.75 4.34 4.37 2or9M1 ARG 211 HB2 0.06 0.06 0.23 -0.04 1.90 2.20 2or9M1 ARG 211 HB3 -0.00 -0.08 0.20 -0.04 1.80 1.88 2or9M1 ARG 211 HG2 -0.00 -0.03 -0.08 -0.04 1.67 1.52 2or9M1 ARG 211 HG3 0.02 -0.03 0.05 -0.04 1.67 1.67 2or9M1 ARG 211 HD2 -0.34 -0.10 -0.03 -0.04 3.22 2.70 2or9M1 ARG 211 HD3 -1.03 0.09 -0.04 -0.04 3.22 2.19 2or9M1 ASN 212 H 0.06 -0.07 -0.18 -0.55 8.53 7.79 2or9M1 ASN 212 HA 0.04 0.19 0.69 -0.75 4.76 4.93 2or9M1 ASN 212 HB2 0.02 -0.01 -0.04 -0.04 2.88 2.81 2or9M1 ASN 212 HB3 0.01 0.03 0.03 -0.04 2.79 2.83 2or9M1 ASN 212 HD21 -0.01 -0.04 -0.01 -0.04 7.03 6.94 2or9M1 ASN 212 HD22 -0.01 0.07 -0.01 -0.04 7.74 7.75 2or9M1 GLU 213 H 0.07 -0.09 -0.12 -0.55 8.60 7.92 2or9M1 GLU 213 HA 0.04 0.00 0.48 -0.75 4.29 4.06 2or9M1 GLU 213 HB2 0.07 -0.07 0.15 -0.04 2.09 2.21 2or9M1 GLU 213 HB3 0.05 0.04 0.00 -0.04 1.99 2.04 2or9M1 GLU 213 HG2 0.03 -0.05 0.01 -0.04 2.34 2.29 2or9M1 GLU 213 HG3 0.03 0.00 0.03 -0.04 2.34 2.36 2or9M1 CYS 214 H 0.03 0.06 0.10 -0.55 8.50 8.14 2or9M1 CYS 214 HA 0.02 0.00 0.22 -0.75 4.58 4.07 2or9M1 CYS 214 HB2 0.03 -0.07 -0.07 -0.04 2.97 2.82 2or9M1 CYS 214 HB3 0.04 0.21 -0.06 -0.04 2.97 3.12