============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 3 0.840 55.669 17.229 96.969 -99.200 -91.000 HIS 12 0.900 68.530 24.265 106.324 -99.200 -91.000 HIS 17 0.900 70.178 25.383 118.889 -99.200 -91.000 TYR 20 0.840 63.967 17.010 114.111 -99.200 -91.000 TYR 31 0.840 41.691 0.198 106.301 -99.200 -91.000 PHE 40 1.000 25.573 -0.999 127.403 -99.200 -91.000 HIS 60 0.900 16.280 6.317 128.889 -99.200 -91.000 PHE 68 1.000 31.499 -4.174 140.206 -99.200 -91.000 TYR 97 0.840 35.514 -0.598 127.512 -99.200 -91.000 TRP 100 1.040 43.445 9.144 129.390 -99.200 -91.000 TRP6 100 1.020 45.178 9.152 127.804 -99.200 -91.000 PHE 111 1.000 40.176 0.612 133.175 -99.200 -91.000 PHE 112 1.000 40.420 7.886 127.123 -99.200 -91.000 TYR 115 0.840 39.530 -0.396 114.667 -99.200 -91.000 HIS 118 0.900 47.281 1.098 117.619 -99.200 -91.000 TYR 119 0.840 45.261 4.722 125.489 -99.200 -91.000 TYR 121 0.840 44.953 8.934 122.131 -99.200 -91.000 HIS 136 0.900 32.223 6.759 139.531 -99.200 -91.000 TYR 146 0.840 30.335 -1.569 135.528 -99.200 -91.000 PHE 154 1.000 34.799 -0.192 116.909 -99.200 -91.000 TYR 172 0.840 59.172 25.600 113.885 -99.200 -91.000 TYR 173 0.840 52.202 25.979 108.284 -99.200 -91.000 TYR 180 0.840 67.311 27.016 123.159 -99.200 -91.000 PHE 188 1.000 47.433 5.199 114.064 -99.200 -91.000 TYR 190 0.840 41.895 4.487 114.857 -99.200 -91.000 TYR 194 0.840 31.916 13.956 111.174 -99.200 -91.000 TRP 206 1.040 50.789 10.470 113.327 -99.200 -91.000 TRP6 206 1.020 51.681 8.362 113.889 -99.200 -91.000 TYR 212 0.840 56.815 24.465 127.354 -99.200 -91.000 TYR 218 0.840 50.483 15.066 127.612 -99.200 -91.000 PHE 219 1.000 50.944 20.597 121.060 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2o3oG1 LYS 34 HA -0.00 -0.05 0.23 -0.75 4.32 3.75 2o3oG1 GLU 35 H -0.03 -0.06 0.22 -0.55 8.60 8.18 2o3oG1 GLU 35 HA -0.08 0.18 0.80 -0.75 4.29 4.43 2o3oG1 GLU 35 HB2 -0.01 0.12 -0.02 -0.04 2.09 2.15 2o3oG1 GLU 35 HB3 0.04 -0.01 0.07 -0.04 1.99 2.05 2o3oG1 GLU 35 HG2 0.01 0.05 -0.04 -0.04 2.34 2.32 2o3oG1 GLU 35 HG3 0.01 -0.03 -0.21 -0.04 2.34 2.07 2o3oG1 TYR 36 H 0.26 0.06 0.19 -0.55 8.29 8.25 2o3oG1 TYR 36 HA -0.04 0.14 0.60 -0.75 4.56 4.51 2o3oG1 TYR 36 HB2 -0.03 0.09 0.06 -0.04 3.06 3.14 2o3oG1 TYR 36 HB3 -0.03 0.06 0.15 -0.04 2.98 3.13 2o3oG1 TYR 36 HD2 -0.02 -0.01 0.03 -0.04 7.15 7.11 2o3oG1 TYR 36 HE2 -0.01 0.06 0.03 -0.04 6.85 6.88 2o3oG1 GLU 37 H -0.56 0.03 -0.38 -0.55 8.60 7.15 2o3oG1 GLU 37 HA -0.12 0.13 0.45 -0.75 4.29 4.00 2o3oG1 GLU 37 HB2 -0.47 0.00 0.00 -0.04 2.09 1.59 2o3oG1 GLU 37 HB3 -0.27 0.05 -0.06 -0.04 1.99 1.66 2o3oG1 GLU 37 HG2 -0.13 0.05 -0.06 -0.04 2.34 2.16 2o3oG1 GLU 37 HG3 -0.11 0.01 -0.18 -0.04 2.34 2.02 2o3oG1 VAL 38 H -0.14 0.10 -0.18 -0.55 8.24 7.47 2o3oG1 VAL 38 HA -0.07 0.07 0.44 -0.75 4.13 3.83 2o3oG1 VAL 38 HB -0.06 0.09 0.16 -0.04 2.12 2.27 2o3oG1 VAL 38 HG13 -0.04 0.00 -0.08 -0.04 0.97 0.81 2o3oG1 VAL 38 HG23 -0.07 0.01 0.09 -0.04 0.95 0.93 2o3oG1 ILE 39 H -0.04 0.42 -0.28 -0.55 8.25 7.80 2o3oG1 ILE 39 HA -0.02 0.08 0.46 -0.75 4.18 3.94 2o3oG1 ILE 39 HB -0.02 0.05 0.10 -0.04 1.89 1.97 2o3oG1 ILE 39 HG12 -0.02 0.09 0.04 -0.04 1.49 1.55 2o3oG1 ILE 39 HG13 -0.02 -0.01 -0.02 -0.04 1.21 1.12 2o3oG1 ILE 39 HG23 -0.07 0.00 -0.09 -0.04 0.93 0.74 2o3oG1 ILE 39 HD13 -0.01 0.00 -0.04 -0.04 0.88 0.78 2o3oG1 LYS 40 H -0.02 0.42 -0.12 -0.55 8.42 8.14 2o3oG1 LYS 40 HA -0.01 0.06 0.48 -0.75 4.32 4.09 2o3oG1 LYS 40 HB2 -0.01 0.04 0.24 -0.04 1.87 2.10 2o3oG1 LYS 40 HB3 -0.01 -0.03 0.03 -0.04 1.79 1.74 2o3oG1 LYS 40 HG2 -0.01 -0.02 0.06 -0.04 1.46 1.45 2o3oG1 LYS 40 HG3 0.04 0.12 0.11 -0.04 1.46 1.69 2o3oG1 LYS 40 HD2 0.06 -0.04 -0.02 -0.04 1.69 1.65 2o3oG1 LYS 40 HD3 0.00 0.01 0.01 -0.04 1.68 1.66 2o3oG1 LYS 40 HE2 0.02 0.00 0.01 -0.04 2.99 2.98 2o3oG1 LYS 40 HE3 0.01 0.02 0.00 -0.04 2.99 2.98 2o3oG1 ASN 41 H -0.02 0.49 -0.21 -0.55 8.53 8.24 2o3oG1 ASN 41 HA 0.02 0.06 0.48 -0.75 4.76 4.57 2o3oG1 ASN 41 HB2 0.01 -0.03 0.07 -0.04 2.88 2.90 2o3oG1 ASN 41 HB3 -0.03 0.13 0.11 -0.04 2.79 2.97 2o3oG1 ASN 41 HD21 -0.07 -0.01 -0.06 -0.04 7.03 6.84 2o3oG1 ASN 41 HD22 0.07 -0.02 0.00 -0.04 7.74 7.75 2o3oG1 ASP 42 H -0.01 0.29 -0.28 -0.55 8.40 7.86 2o3oG1 ASP 42 HA -0.01 0.03 0.58 -0.75 4.63 4.47 2o3oG1 ASP 42 HB2 0.00 0.07 0.21 -0.04 2.71 2.96 2o3oG1 ASP 42 HB3 0.02 -0.03 -0.00 -0.04 2.70 2.64 2o3oG1 VAL 43 H 0.04 0.56 -0.07 -0.55 8.24 8.21 2o3oG1 VAL 43 HA 0.15 0.00 0.46 -0.75 4.13 3.98 2o3oG1 VAL 43 HB 0.04 0.15 0.18 -0.04 2.12 2.45 2o3oG1 VAL 43 HG13 0.15 -0.01 -0.15 -0.04 0.97 0.92 2o3oG1 VAL 43 HG23 0.06 0.02 0.06 -0.04 0.95 1.05 2o3oG1 GLU 44 H 0.04 0.46 -0.17 -0.55 8.60 8.38 2o3oG1 GLU 44 HA -0.01 -0.01 0.35 -0.75 4.29 3.88 2o3oG1 GLU 44 HB2 0.01 0.06 0.18 -0.04 2.09 2.30 2o3oG1 GLU 44 HB3 0.08 0.09 0.10 -0.04 1.99 2.22 2o3oG1 GLU 44 HG2 -0.02 -0.07 -0.01 -0.04 2.34 2.21 2o3oG1 GLU 44 HG3 -0.02 0.03 -0.02 -0.04 2.34 2.28 2o3oG1 HIS 45 H 0.19 0.41 -0.21 -0.55 8.41 8.25 2o3oG1 HIS 45 HA -0.03 -0.02 0.46 -0.75 4.63 4.29 2o3oG1 HIS 45 HB2 -0.00 0.13 0.23 -0.04 3.26 3.58 2o3oG1 HIS 45 HB3 -0.01 -0.05 0.00 -0.04 3.20 3.10 2o3oG1 HIS 45 HD2 -0.02 -0.02 0.00 -0.04 6.97 6.89 2o3oG1 HIS 45 HE1 -0.02 -0.05 -0.00 -0.04 7.75 7.64 2o3oG1 ASP 46 H 0.12 0.55 -0.08 -0.55 8.40 8.44 2o3oG1 ASP 46 HA 0.07 -0.08 0.13 -0.75 4.63 4.00 2o3oG1 ASP 46 HB2 0.22 0.11 0.16 -0.04 2.71 3.16 2o3oG1 ASP 46 HB3 0.28 -0.05 0.10 -0.04 2.70 2.98 2o3oG1 LYS 48 HA -0.24 -0.10 0.40 -0.75 4.32 3.62 2o3oG1 LYS 48 HB2 -0.18 0.17 0.28 -0.04 1.87 2.10 2o3oG1 LYS 48 HB3 -0.21 -0.06 0.02 -0.04 1.79 1.50 2o3oG1 LYS 48 HG2 -0.20 -0.06 0.04 -0.04 1.46 1.20 2o3oG1 LYS 48 HG3 -0.22 -0.07 0.08 -0.04 1.46 1.21 2o3oG1 LYS 48 HD2 -0.08 0.04 0.13 -0.04 1.69 1.73 2o3oG1 LYS 48 HD3 -0.07 0.05 0.06 -0.04 1.68 1.67 2o3oG1 LYS 48 HE2 -0.07 -0.04 0.02 -0.04 2.99 2.87 2o3oG1 LYS 48 HE3 -0.11 -0.03 0.04 -0.04 2.99 2.85 2o3oG1 ALA 49 H -0.11 0.64 -0.61 -0.55 8.40 7.78 2o3oG1 ALA 49 HA -0.13 -0.04 0.34 -0.75 4.34 3.76 2o3oG1 ALA 49 HB3 -0.00 0.02 0.05 -0.04 1.41 1.43 2o3oG1 ASP 50 H -0.15 0.36 0.04 -0.55 8.40 8.10 2o3oG1 ASP 50 HA -0.06 0.12 0.83 -0.75 4.63 4.76 2o3oG1 ASP 50 HB2 -0.15 0.08 -0.01 -0.04 2.71 2.59 2o3oG1 ASP 50 HB3 -0.03 -0.12 0.13 -0.04 2.70 2.63 2o3oG1 HIS 51 H -0.31 0.72 -0.20 -0.55 8.41 8.07 2o3oG1 HIS 51 HA -0.22 0.09 0.37 -0.75 4.63 4.12 2o3oG1 HIS 51 HB2 -0.83 -0.01 -0.05 -0.04 3.26 2.34 2o3oG1 HIS 51 HB3 -0.26 -0.05 0.18 -0.04 3.20 3.02 2o3oG1 HIS 51 HD2 -0.24 0.10 -0.12 -0.04 6.97 6.67 2o3oG1 HIS 51 HE1 -0.02 -0.06 0.01 -0.04 7.75 7.63 2o3oG1 ILE 52 H -0.25 0.20 -0.09 -0.55 8.25 7.55 2o3oG1 ILE 52 HA -0.13 0.22 0.97 -0.75 4.18 4.49 2o3oG1 ILE 52 HB -0.26 0.01 -0.08 -0.04 1.89 1.53 2o3oG1 ILE 52 HG12 -0.09 -0.01 -0.17 -0.04 1.49 1.18 2o3oG1 ILE 52 HG13 -0.19 -0.09 -0.41 -0.04 1.21 0.48 2o3oG1 ILE 52 HG23 -0.10 -0.01 -0.25 -0.04 0.93 0.54 2o3oG1 ILE 52 HD13 -0.16 -0.00 -0.23 -0.04 0.88 0.45 2o3oG1 THR 53 H -0.14 0.60 0.30 -0.55 8.28 8.50 2o3oG1 THR 53 HA -0.50 0.13 0.66 -0.75 4.39 3.92 2o3oG1 THR 53 HB -0.08 -0.03 0.12 -0.04 4.32 4.29 2o3oG1 THR 53 HG23 -0.09 -0.02 -0.14 -0.04 1.22 0.93 2o3oG1 TYR 54 H -0.49 0.22 0.14 -0.55 8.29 7.61 2o3oG1 TYR 54 HA -0.03 0.12 0.88 -0.75 4.56 4.78 2o3oG1 TYR 54 HB2 -0.05 -0.06 -0.06 -0.04 3.06 2.84 2o3oG1 TYR 54 HB3 -0.06 0.03 -0.02 -0.04 2.98 2.89 2o3oG1 TYR 54 HD2 -0.07 -0.04 -0.08 -0.04 7.15 6.93 2o3oG1 TYR 54 HE2 -0.10 0.02 -0.03 -0.04 6.85 6.69 2o3oG1 GLU 55 H 0.06 0.32 0.08 -0.55 8.60 8.52 2o3oG1 GLU 55 HA 0.04 0.03 0.52 -0.75 4.29 4.12 2o3oG1 GLU 55 HB2 0.03 0.19 0.21 -0.04 2.09 2.48 2o3oG1 GLU 55 HB3 0.03 -0.02 0.05 -0.04 1.99 2.00 2o3oG1 GLU 55 HG2 0.01 -0.07 -0.05 -0.04 2.34 2.20 2o3oG1 GLU 55 HG3 0.02 0.05 -0.01 -0.04 2.34 2.36 2o3oG1 GLY 56 H 0.04 0.22 0.23 -0.55 8.43 8.38 2o3oG1 GLY 56 HA2 0.01 0.02 0.32 -0.51 4.01 3.85 2o3oG1 GLY 56 HA3 0.01 -0.01 0.29 -0.51 4.01 3.79 2o3oG1 LEU 57 H -0.01 0.05 -0.26 -0.55 8.37 7.60 2o3oG1 LEU 57 HA -0.06 0.14 0.63 -0.75 4.35 4.31 2o3oG1 LEU 57 HB2 -0.10 -0.03 -0.08 -0.04 1.64 1.39 2o3oG1 LEU 57 HB3 -0.16 -0.06 -0.00 -0.04 1.64 1.37 2o3oG1 LEU 57 HG 0.00 -0.03 -0.29 -0.04 1.64 1.28 2o3oG1 LEU 57 HD13 -0.07 -0.00 -0.08 -0.04 0.93 0.74 2o3oG1 LEU 57 HD23 -0.04 0.03 -0.09 -0.04 0.89 0.75 2o3oG1 ASN 58 H -0.11 0.13 0.20 -0.55 8.53 8.20 2o3oG1 ASN 58 HA -0.04 0.02 0.41 -0.75 4.76 4.40 2o3oG1 ASN 58 HB2 -0.04 0.07 0.21 -0.04 2.88 3.07 2o3oG1 ASN 58 HB3 -0.08 -0.06 0.11 -0.04 2.79 2.71 2o3oG1 ASN 58 HD21 0.02 0.01 0.06 -0.04 7.03 7.07 2o3oG1 ASN 58 HD22 0.03 0.02 0.08 -0.04 7.74 7.83 2o3oG1 LYS 59 H -0.04 0.10 0.22 -0.55 8.42 8.15 2o3oG1 LYS 59 HA -0.07 0.18 0.79 -0.75 4.32 4.47 2o3oG1 LYS 59 HB2 -0.04 -0.03 0.09 -0.04 1.87 1.86 2o3oG1 LYS 59 HB3 -0.04 -0.01 0.10 -0.04 1.79 1.79 2o3oG1 LYS 59 HG2 -0.09 -0.00 0.00 -0.04 1.46 1.33 2o3oG1 LYS 59 HG3 -0.08 0.14 -0.16 -0.04 1.46 1.32 2o3oG1 LYS 59 HD2 -0.04 0.02 -0.00 -0.04 1.69 1.62 2o3oG1 LYS 59 HD3 -0.04 -0.04 0.00 -0.04 1.68 1.56 2o3oG1 LYS 59 HE2 -0.06 -0.02 -0.01 -0.04 2.99 2.85 2o3oG1 LYS 59 HE3 -0.10 0.03 -0.03 -0.04 2.99 2.84 2o3oG1 GLU 60 H -0.02 0.01 0.05 -0.55 8.60 8.09 2o3oG1 GLU 60 HA -0.00 0.10 0.66 -0.75 4.29 4.29 2o3oG1 GLU 60 HB2 0.00 -0.03 0.13 -0.04 2.09 2.15 2o3oG1 GLU 60 HB3 0.00 0.12 0.01 -0.04 1.99 2.09 2o3oG1 GLU 60 HG2 -0.01 -0.11 -0.01 -0.04 2.34 2.17 2o3oG1 GLU 60 HG3 -0.00 0.02 0.03 -0.04 2.34 2.35 2o3oG1 ALA 61 H 0.01 0.08 0.18 -0.55 8.40 8.12 2o3oG1 ALA 61 HA 0.05 0.08 0.29 -0.75 4.34 4.00 2o3oG1 ALA 61 HB3 0.01 0.02 0.09 -0.04 1.41 1.49 2o3oG1 THR 62 H 0.05 0.27 0.19 -0.55 8.28 8.23 2o3oG1 THR 62 HA -0.01 0.12 0.73 -0.75 4.39 4.47 2o3oG1 THR 62 HB -0.06 0.03 0.19 -0.04 4.32 4.44 2o3oG1 THR 62 HG23 0.01 0.02 -0.10 -0.04 1.22 1.10 2o3oG1 GLU 63 H -0.05 0.11 0.17 -0.55 8.60 8.29 2o3oG1 GLU 63 HA -0.07 0.12 0.93 -0.75 4.29 4.50 2o3oG1 GLU 63 HB2 -0.10 -0.02 0.06 -0.04 2.09 1.99 2o3oG1 GLU 63 HB3 -0.18 0.01 0.05 -0.04 1.99 1.84 2o3oG1 GLU 63 HG2 -0.04 -0.04 -0.10 -0.04 2.34 2.11 2o3oG1 GLU 63 HG3 -0.05 0.00 -0.03 -0.04 2.34 2.22 2o3oG1 GLY 64 H -0.19 0.68 0.38 -0.55 8.43 8.75 2o3oG1 GLY 64 HA2 -0.09 0.06 0.59 -0.51 4.01 4.06 2o3oG1 GLY 64 HA3 -0.04 0.06 0.23 -0.51 4.01 3.75 2o3oG1 TYR 65 H 0.24 0.18 0.17 -0.55 8.29 8.32 2o3oG1 TYR 65 HA 0.05 0.27 1.04 -0.75 4.56 5.16 2o3oG1 TYR 65 HB2 0.12 -0.04 -0.03 -0.04 3.06 3.07 2o3oG1 TYR 65 HB3 0.05 0.08 -0.08 -0.04 2.98 2.99 2o3oG1 TYR 65 HD2 0.09 0.06 -0.22 -0.04 7.15 7.04 2o3oG1 TYR 65 HE2 0.05 0.01 -0.10 -0.04 6.85 6.77 2o3oG1 ARG 66 H 0.14 0.52 0.35 -0.55 8.46 8.92 2o3oG1 ARG 66 HA 0.07 0.23 0.95 -0.75 4.34 4.83 2o3oG1 ARG 66 HB2 0.04 -0.03 0.15 -0.04 1.90 2.02 2o3oG1 ARG 66 HB3 0.04 -0.18 0.20 -0.04 1.80 1.83 2o3oG1 ARG 66 HG2 -0.03 0.11 0.01 -0.04 1.67 1.72 2o3oG1 ARG 66 HG3 -0.01 0.06 0.18 -0.04 1.67 1.85 2o3oG1 ARG 66 HD2 0.02 -0.07 -0.02 -0.04 3.22 3.10 2o3oG1 ARG 66 HD3 -0.01 0.02 -0.05 -0.04 3.22 3.14 2o3oG1 ILE 67 H 0.00 0.37 0.18 -0.55 8.25 8.26 2o3oG1 ILE 67 HA -0.06 0.21 1.12 -0.75 4.18 4.70 2o3oG1 ILE 67 HB -0.25 -0.07 -0.13 -0.04 1.89 1.40 2o3oG1 ILE 67 HG12 -0.14 0.03 -0.12 -0.04 1.49 1.22 2o3oG1 ILE 67 HG13 -0.99 0.00 -0.16 -0.04 1.21 0.02 2o3oG1 ILE 67 HG23 -0.16 0.05 -0.28 -0.04 0.93 0.50 2o3oG1 ILE 67 HD13 0.02 -0.05 -0.49 -0.04 0.88 0.32 2o3oG1 THR 68 H -0.09 0.68 0.42 -0.55 8.28 8.74 2o3oG1 THR 68 HA -0.17 0.19 1.04 -0.75 4.39 4.69 2o3oG1 THR 68 HB -0.11 0.13 0.22 -0.04 4.32 4.52 2o3oG1 THR 68 HG23 -0.06 -0.02 -0.02 -0.04 1.22 1.08 2o3oG1 ALA 69 H -0.24 0.56 0.35 -0.55 8.40 8.51 2o3oG1 ALA 69 HA -0.40 0.38 0.73 -0.75 4.34 4.30 2o3oG1 ALA 69 HB3 -0.87 -0.03 -0.11 -0.04 1.41 0.36 2o3oG1 ASN 70 H -0.28 0.84 0.39 -0.55 8.53 8.94 2o3oG1 ASN 70 HA -0.13 0.10 1.00 -0.75 4.76 4.98 2o3oG1 ASN 70 HB2 -0.11 0.01 0.04 -0.04 2.88 2.78 2o3oG1 ASN 70 HB3 -0.09 0.06 -0.07 -0.04 2.79 2.64 2o3oG1 ASN 70 HD21 -0.06 -0.02 -0.01 -0.04 7.03 6.90 2o3oG1 ASN 70 HD22 -0.07 -0.01 -0.03 -0.04 7.74 7.59 2o3oG1 GLN 71 H -0.08 0.11 -0.03 -0.55 8.47 7.92 2o3oG1 GLN 71 HA -0.06 0.16 0.69 -0.75 4.36 4.39 2o3oG1 GLN 71 HB2 -0.04 0.17 0.11 -0.04 2.15 2.34 2o3oG1 GLN 71 HB3 -0.04 -0.10 0.13 -0.04 2.02 1.97 2o3oG1 GLN 71 HG2 0.00 -0.04 0.06 -0.04 2.40 2.38 2o3oG1 GLN 71 HG3 0.01 0.12 0.05 -0.04 2.39 2.52 2o3oG1 GLN 71 HE21 0.02 0.31 0.14 -0.04 6.97 7.41 2o3oG1 GLN 71 HE22 0.05 -0.07 0.11 -0.04 7.69 7.74 2o3oG1 LYS 72 H -0.08 0.84 0.45 -0.55 8.42 9.08 2o3oG1 LYS 72 HA -0.18 -0.11 0.31 -0.75 4.32 3.58 2o3oG1 LYS 72 HB2 -0.18 -0.02 -0.03 -0.04 1.87 1.60 2o3oG1 LYS 72 HB3 -0.25 0.02 0.19 -0.04 1.79 1.71 2o3oG1 LYS 72 HG2 -1.03 -0.02 -0.17 -0.04 1.46 0.19 2o3oG1 LYS 72 HG3 -1.09 -0.00 -0.49 -0.04 1.46 -0.16 2o3oG1 LYS 72 HD2 -0.27 -0.03 -0.04 -0.04 1.69 1.31 2o3oG1 LYS 72 HD3 -0.21 -0.02 -0.10 -0.04 1.68 1.31 2o3oG1 LYS 72 HE2 -0.38 0.02 -0.14 -0.04 2.99 2.44 2o3oG1 LYS 72 HE3 -0.15 -0.05 -0.05 -0.04 2.99 2.70 2o3oG1 SER 73 H -0.19 0.09 0.17 -0.55 8.46 7.97 2o3oG1 SER 73 HA -0.05 0.28 0.87 -0.75 4.49 4.83 2o3oG1 SER 73 HB2 -0.06 0.06 0.02 -0.04 3.95 3.93 2o3oG1 SER 73 HB3 -0.08 -0.08 0.15 -0.04 3.93 3.88 2o3oG1 PHE 74 H 0.22 0.78 0.25 -0.55 8.34 9.05 2o3oG1 PHE 74 HA 0.00 -0.02 0.50 -0.75 4.62 4.35 2o3oG1 PHE 74 HB2 -0.00 0.08 0.11 -0.04 3.15 3.29 2o3oG1 PHE 74 HB3 0.01 -0.02 -0.04 -0.04 3.06 2.96 2o3oG1 PHE 74 HD2 0.02 0.09 -0.10 -0.04 7.28 7.24 2o3oG1 PHE 74 HE2 0.05 0.10 -0.17 -0.04 7.38 7.32 2o3oG1 PHE 74 HZ 0.08 -0.00 -0.26 -0.04 7.32 7.09 2o3oG1 SER 75 H 0.08 0.07 0.23 -0.55 8.46 8.29 2o3oG1 SER 75 HA 0.04 0.22 0.57 -0.75 4.49 4.57 2o3oG1 SER 75 HB2 0.02 -0.06 0.15 -0.04 3.95 4.02 2o3oG1 SER 75 HB3 0.01 0.15 0.11 -0.04 3.93 4.17 2o3oG1 LYS 76 H 0.03 0.20 0.19 -0.55 8.42 8.28 2o3oG1 LYS 76 HA 0.03 0.17 0.45 -0.75 4.32 4.22 2o3oG1 LYS 76 HB2 0.02 0.06 0.19 -0.04 1.87 2.10 2o3oG1 LYS 76 HB3 0.02 -0.05 0.08 -0.04 1.79 1.80 2o3oG1 LYS 76 HG2 0.01 -0.02 -0.01 -0.04 1.46 1.40 2o3oG1 LYS 76 HG3 0.02 0.06 0.10 -0.04 1.46 1.59 2o3oG1 LYS 76 HD2 0.02 0.13 0.08 -0.04 1.69 1.87 2o3oG1 LYS 76 HD3 0.01 -0.05 0.03 -0.04 1.68 1.63 2o3oG1 LYS 76 HE2 0.01 0.01 0.03 -0.04 2.99 3.00 2o3oG1 LYS 76 HE3 0.01 0.03 0.04 -0.04 2.99 3.03 2o3oG1 GLU 77 H 0.03 0.02 -0.20 -0.55 8.60 7.90 2o3oG1 GLU 77 HA 0.02 0.14 0.34 -0.75 4.29 4.04 2o3oG1 GLU 77 HB2 0.02 -0.05 0.02 -0.04 2.09 2.04 2o3oG1 GLU 77 HB3 0.02 0.07 -0.03 -0.04 1.99 2.01 2o3oG1 GLU 77 HG2 0.01 0.06 -0.01 -0.04 2.34 2.36 2o3oG1 GLU 77 HG3 0.02 -0.08 -0.00 -0.04 2.34 2.23 2o3oG1 GLU 78 H 0.05 -0.00 -0.24 -0.55 8.60 7.86 2o3oG1 GLU 78 HA 0.06 0.09 0.46 -0.75 4.29 4.15 2o3oG1 GLU 78 HB2 0.13 -0.05 0.17 -0.04 2.09 2.30 2o3oG1 GLU 78 HB3 0.18 0.08 -0.04 -0.04 1.99 2.16 2o3oG1 GLU 78 HG2 0.06 0.05 0.02 -0.04 2.34 2.43 2o3oG1 GLU 78 HG3 0.04 -0.07 0.01 -0.04 2.34 2.28 2o3oG1 ILE 79 H 0.07 0.50 -0.12 -0.55 8.25 8.15 2o3oG1 ILE 79 HA 0.02 0.03 0.29 -0.75 4.18 3.76 2o3oG1 ILE 79 HB 0.02 0.05 0.11 -0.04 1.89 2.04 2o3oG1 ILE 79 HG12 -0.05 -0.03 -0.04 -0.04 1.49 1.33 2o3oG1 ILE 79 HG13 0.08 -0.03 -0.08 -0.04 1.21 1.14 2o3oG1 ILE 79 HG23 -0.03 0.01 -0.12 -0.04 0.93 0.75 2o3oG1 ILE 79 HD13 0.00 0.00 -0.11 -0.04 0.88 0.74 2o3oG1 GLU 80 H 0.02 0.39 -0.15 -0.55 8.60 8.32 2o3oG1 GLU 80 HA 0.00 0.18 0.39 -0.75 4.29 4.11 2o3oG1 GLU 80 HB2 0.01 -0.04 0.14 -0.04 2.09 2.16 2o3oG1 GLU 80 HB3 0.01 -0.01 0.10 -0.04 1.99 2.05 2o3oG1 GLU 80 HG2 0.02 0.08 0.01 -0.04 2.34 2.41 2o3oG1 GLU 80 HG3 0.01 -0.04 -0.15 -0.04 2.34 2.12 2o3oG1 ALA 81 H 0.03 0.31 -0.60 -0.55 8.40 7.60 2o3oG1 ALA 81 HA 0.02 0.04 0.72 -0.75 4.34 4.37 2o3oG1 ALA 81 HB3 0.03 0.01 0.12 -0.04 1.41 1.53 2o3oG1 LEU 82 H 0.03 0.44 -0.23 -0.55 8.37 8.06 2o3oG1 LEU 82 HA 0.05 0.03 0.66 -0.75 4.35 4.33 2o3oG1 LEU 82 HB2 0.01 0.22 0.23 -0.04 1.64 2.06 2o3oG1 LEU 82 HB3 0.04 -0.00 -0.00 -0.04 1.64 1.63 2o3oG1 LEU 82 HG 0.05 0.04 0.00 -0.04 1.64 1.70 2o3oG1 LEU 82 HD13 0.03 -0.02 -0.02 -0.04 0.93 0.87 2o3oG1 LEU 82 HD23 0.08 -0.03 -0.00 -0.04 0.89 0.89 2o3oG1 LYS 83 H 0.04 0.19 0.13 -0.55 8.42 8.22 2o3oG1 LYS 83 HA 0.03 0.02 0.30 -0.75 4.32 3.92 2o3oG1 LYS 83 HB2 0.03 0.04 0.10 -0.04 1.87 1.99 2o3oG1 LYS 83 HB3 0.04 0.01 0.10 -0.04 1.79 1.89 2o3oG1 LYS 83 HG2 0.03 0.02 -0.10 -0.04 1.46 1.37 2o3oG1 LYS 83 HG3 0.02 -0.02 0.05 -0.04 1.46 1.47 2o3oG1 LYS 83 HD2 0.03 0.01 -0.02 -0.04 1.69 1.66 2o3oG1 LYS 83 HD3 0.02 -0.04 -0.01 -0.04 1.68 1.61 2o3oG1 LYS 83 HE2 0.02 0.00 0.02 -0.04 2.99 2.99 2o3oG1 LYS 83 HE3 0.02 0.04 0.03 -0.04 2.99 3.04 2o3oG1 ASP 84 H 0.03 0.10 0.20 -0.55 8.40 8.18 2o3oG1 ASP 84 HA 0.04 -0.02 0.35 -0.75 4.63 4.25 2o3oG1 ASP 84 HB2 0.10 0.20 0.02 -0.04 2.71 2.99 2o3oG1 ASP 84 HB3 0.08 -0.09 0.23 -0.04 2.70 2.88 2o3oG1 GLN 85 H 0.02 0.33 -0.06 -0.55 8.47 8.21 2o3oG1 GLN 85 HA -0.04 0.20 0.81 -0.75 4.36 4.57 2o3oG1 GLN 85 HB2 -0.04 0.06 -0.07 -0.04 2.15 2.06 2o3oG1 GLN 85 HB3 -0.20 0.04 -0.13 -0.04 2.02 1.68 2o3oG1 GLN 85 HG2 -0.04 -0.03 -0.14 -0.04 2.40 2.16 2o3oG1 GLN 85 HG3 0.11 0.14 -0.59 -0.04 2.39 2.01 2o3oG1 GLN 85 HE21 0.19 0.17 -0.06 -0.04 6.97 7.22 2o3oG1 GLN 85 HE22 0.31 0.00 -0.09 -0.04 7.69 7.87 2o3oG1 LYS 86 H -0.10 0.78 0.26 -0.55 8.42 8.80 2o3oG1 LYS 86 HA -0.06 0.14 0.94 -0.75 4.32 4.59 2o3oG1 LYS 86 HB2 -0.05 0.02 0.04 -0.04 1.87 1.85 2o3oG1 LYS 86 HB3 -0.04 0.02 0.01 -0.04 1.79 1.73 2o3oG1 LYS 86 HG2 -0.02 -0.09 -0.30 -0.04 1.46 1.02 2o3oG1 LYS 86 HG3 -0.02 -0.05 -0.07 -0.04 1.46 1.28 2o3oG1 LYS 86 HD2 -0.02 -0.05 -0.00 -0.04 1.69 1.58 2o3oG1 LYS 86 HD3 -0.02 0.14 0.05 -0.04 1.68 1.81 2o3oG1 LYS 86 HE2 -0.00 -0.01 -0.01 -0.04 2.99 2.93 2o3oG1 LYS 86 HE3 -0.00 -0.05 -0.11 -0.04 2.99 2.79 2o3oG1 PRO 87 HA -0.15 0.17 0.53 -0.51 4.44 4.47 2o3oG1 PRO 87 HB2 -0.07 0.02 0.03 -0.04 2.28 2.21 2o3oG1 PRO 87 HB3 -0.09 -0.00 0.07 -0.04 2.02 1.96 2o3oG1 PRO 87 HG2 -0.04 -0.01 0.12 -0.04 2.03 2.05 2o3oG1 PRO 87 HG3 -0.04 -0.01 0.06 -0.04 2.03 2.00 2o3oG1 PRO 87 HD2 -0.05 0.04 0.22 -0.04 3.68 3.85 2o3oG1 PRO 87 HD3 -0.06 0.19 0.18 -0.04 3.65 3.92 2o3oG1 LEU 88 H -0.14 0.76 0.38 -0.55 8.37 8.82 2o3oG1 LEU 88 HA -0.07 0.14 0.68 -0.75 4.35 4.35 2o3oG1 LEU 88 HB2 -0.12 0.03 0.11 -0.04 1.64 1.62 2o3oG1 LEU 88 HB3 -0.08 -0.08 0.09 -0.04 1.64 1.52 2o3oG1 LEU 88 HG -0.13 0.23 -0.30 -0.04 1.64 1.40 2o3oG1 LEU 88 HD13 -0.12 -0.04 -0.10 -0.04 0.93 0.63 2o3oG1 LEU 88 HD23 -0.07 -0.01 -0.06 -0.04 0.89 0.71 2o3oG1 ASP 90 HA -0.01 0.01 0.04 -0.75 4.63 3.92 2o3oG1 ASP 90 HB2 -0.02 0.00 0.02 -0.04 2.71 2.68 2o3oG1 ASP 90 HB3 -0.01 -0.04 -0.00 -0.04 2.70 2.61 2o3oG1 PRO 92 HA 0.04 0.05 0.17 -0.51 4.44 4.19 2o3oG1 PRO 92 HB2 0.02 -0.04 0.02 -0.04 2.28 2.24 2o3oG1 PRO 92 HB3 0.02 0.05 0.19 -0.04 2.02 2.24 2o3oG1 PRO 92 HG2 0.03 -0.11 0.13 -0.04 2.03 2.04 2o3oG1 PRO 92 HG3 0.04 -0.08 -0.05 -0.04 2.03 1.90 2o3oG1 PRO 92 HD2 0.03 -0.05 -0.05 -0.04 3.68 3.57 2o3oG1 PRO 92 HD3 0.04 0.09 -0.03 -0.04 3.65 3.71 2o3oG1 SER 93 H 0.06 0.91 0.22 -0.55 8.46 9.11 2o3oG1 SER 93 HA 0.03 0.19 0.87 -0.75 4.49 4.83 2o3oG1 SER 93 HB2 0.04 -0.07 0.19 -0.04 3.95 4.07 2o3oG1 SER 93 HB3 0.07 0.11 -0.05 -0.04 3.93 4.01 2o3oG1 ASP 94 H 0.02 0.13 0.14 -0.55 8.40 8.15 2o3oG1 ASP 94 HA 0.01 0.09 0.45 -0.75 4.63 4.43 2o3oG1 ASP 94 HB2 0.02 -0.07 0.12 -0.04 2.71 2.74 2o3oG1 ASP 94 HB3 0.01 0.04 0.03 -0.04 2.70 2.74 2o3oG1 ASP 95 H 0.04 -0.08 -0.21 -0.55 8.40 7.60 2o3oG1 ASP 95 HA 0.03 0.19 0.64 -0.75 4.63 4.74 2o3oG1 ASP 95 HB2 0.03 -0.05 0.03 -0.04 2.71 2.68 2o3oG1 ASP 95 HB3 0.06 -0.03 0.07 -0.04 2.70 2.76 2o3oG1 HIS 96 H 0.13 -0.06 0.00 -0.55 8.41 7.94 2o3oG1 HIS 96 HA 0.01 0.10 0.43 -0.75 4.63 4.42 2o3oG1 HIS 96 HB2 0.01 -0.03 0.08 -0.04 3.26 3.27 2o3oG1 HIS 96 HB3 0.01 -0.09 0.08 -0.04 3.20 3.15 2o3oG1 HIS 96 HD2 0.01 -0.02 -0.29 -0.04 6.97 6.62 2o3oG1 HIS 96 HE1 0.01 -0.02 0.02 -0.04 7.75 7.72 2o3oG1 LYS 97 H -0.18 0.18 0.25 -0.55 8.42 8.11 2o3oG1 LYS 97 HA -0.11 0.13 0.82 -0.75 4.32 4.41 2o3oG1 LYS 97 HB2 -0.09 -0.01 0.09 -0.04 1.87 1.82 2o3oG1 LYS 97 HB3 -0.07 0.00 -0.04 -0.04 1.79 1.65 2o3oG1 LYS 97 HG2 -0.03 -0.02 -0.01 -0.04 1.46 1.36 2o3oG1 LYS 97 HG3 -0.04 0.10 -0.16 -0.04 1.46 1.32 2o3oG1 LYS 97 HD2 -0.04 -0.02 -0.01 -0.04 1.69 1.59 2o3oG1 LYS 97 HD3 -0.02 -0.02 -0.01 -0.04 1.68 1.58 2o3oG1 LYS 97 HE2 -0.01 0.08 0.01 -0.04 2.99 3.02 2o3oG1 LYS 97 HE3 -0.03 -0.00 0.05 -0.04 2.99 2.96 2o3oG1 VAL 98 H -0.05 0.22 0.13 -0.55 8.24 8.00 2o3oG1 VAL 98 HA -0.13 0.15 0.87 -0.75 4.13 4.27 2o3oG1 VAL 98 HB 0.07 0.04 0.24 -0.04 2.12 2.44 2o3oG1 VAL 98 HG13 0.02 0.00 -0.15 -0.04 0.97 0.80 2o3oG1 VAL 98 HG23 0.02 0.03 0.00 -0.04 0.95 0.96 2o3oG1 THR 99 H 0.03 0.18 0.19 -0.55 8.28 8.13 2o3oG1 THR 99 HA 0.25 0.30 1.04 -0.75 4.39 5.22 2o3oG1 THR 99 HB 0.07 0.07 0.15 -0.04 4.32 4.56 2o3oG1 THR 99 HG23 -0.00 -0.01 -0.15 -0.04 1.22 1.02 2o3oG1 SER 100 H 0.07 0.06 0.02 -0.55 8.46 8.07 2o3oG1 SER 100 HA 0.08 0.39 0.94 -0.75 4.49 5.14 2o3oG1 SER 100 HB2 0.06 -0.06 -0.04 -0.04 3.95 3.87 2o3oG1 SER 100 HB3 0.03 -0.04 0.11 -0.04 3.93 3.99 2o3oG1 LEU 101 H -0.20 0.63 0.24 -0.55 8.37 8.50 2o3oG1 LEU 101 HA -0.23 0.11 0.72 -0.75 4.35 4.19 2o3oG1 LEU 101 HB2 -0.38 -0.00 0.13 -0.04 1.64 1.35 2o3oG1 LEU 101 HB3 -0.31 0.03 -0.06 -0.04 1.64 1.26 2o3oG1 LEU 101 HG -1.30 -0.02 -0.11 -0.04 1.64 0.17 2o3oG1 LEU 101 HD13 -0.59 -0.01 -0.10 -0.04 0.93 0.20 2o3oG1 LEU 101 HD23 -0.27 0.02 -0.03 -0.04 0.89 0.57 2o3oG1 LYS 102 H -0.16 0.25 0.14 -0.55 8.42 8.10 2o3oG1 LYS 102 HA -0.18 0.35 0.67 -0.75 4.32 4.41 2o3oG1 LYS 102 HB2 -0.07 0.02 -0.02 -0.04 1.87 1.76 2o3oG1 LYS 102 HB3 -0.10 -0.04 0.13 -0.04 1.79 1.74 2o3oG1 LYS 102 HG2 -0.13 -0.00 0.05 -0.04 1.46 1.33 2o3oG1 LYS 102 HG3 -0.09 0.06 0.04 -0.04 1.46 1.43 2o3oG1 LYS 102 HD2 -0.05 -0.02 -0.02 -0.04 1.69 1.56 2o3oG1 LYS 102 HD3 -0.06 0.04 0.01 -0.04 1.68 1.61 2o3oG1 LYS 102 HE2 -0.11 0.02 -0.01 -0.04 2.99 2.84 2o3oG1 LYS 102 HE3 -0.18 -0.01 -0.04 -0.04 2.99 2.71 2o3oG1 LYS 104 HA -0.20 -0.11 0.44 -0.75 4.32 3.69 2o3oG1 LYS 104 HB2 -0.12 -0.07 0.00 -0.04 1.87 1.64 2o3oG1 LYS 104 HB3 -0.09 -0.02 0.05 -0.04 1.79 1.69 2o3oG1 LYS 104 HG2 0.00 0.21 -0.11 -0.04 1.46 1.52 2o3oG1 LYS 104 HG3 -0.03 -0.06 -0.01 -0.04 1.46 1.32 2o3oG1 LYS 104 HD2 -0.04 -0.06 -0.06 -0.04 1.69 1.49 2o3oG1 LYS 104 HD3 -0.03 -0.02 -0.11 -0.04 1.68 1.48 2o3oG1 LYS 104 HE2 0.02 0.14 -0.05 -0.04 2.99 3.06 2o3oG1 LYS 104 HE3 -0.00 -0.07 -0.04 -0.04 2.99 2.83 2o3oG1 PHE 105 H 0.06 0.41 0.22 -0.55 8.34 8.48 2o3oG1 PHE 105 HA 0.01 0.17 0.77 -0.75 4.62 4.82 2o3oG1 PHE 105 HB2 0.03 0.05 0.02 -0.04 3.15 3.21 2o3oG1 PHE 105 HB3 0.03 0.03 -0.01 -0.04 3.06 3.06 2o3oG1 PHE 105 HD2 0.07 0.09 -0.17 -0.04 7.28 7.23 2o3oG1 PHE 105 HE2 0.14 -0.02 -0.17 -0.04 7.38 7.29 2o3oG1 PHE 105 HZ 0.04 -0.05 -0.18 -0.04 7.32 7.09 2o3oG1 ALA 106 H 0.16 0.61 0.24 -0.55 8.40 8.87 2o3oG1 ALA 106 HA 0.05 -0.01 0.34 -0.75 4.34 3.97 2o3oG1 ALA 106 HB3 0.06 -0.04 0.09 -0.04 1.41 1.48 2o3oG1 ASN 107 H 0.10 0.19 -0.19 -0.55 8.53 8.08 2o3oG1 ASN 107 HA 0.04 0.16 0.67 -0.75 4.76 4.88 2o3oG1 ASN 107 HB2 0.01 -0.06 -0.01 -0.04 2.88 2.78 2o3oG1 ASN 107 HB3 0.01 0.03 -0.01 -0.04 2.79 2.78 2o3oG1 ASN 107 HD21 0.02 -0.03 -0.08 -0.04 7.03 6.89 2o3oG1 ASN 107 HD22 0.02 -0.02 -0.07 -0.04 7.74 7.62 2o3oG1 PRO 108 HA 0.05 0.33 0.46 -0.51 4.44 4.77 2o3oG1 PRO 108 HB2 0.02 -0.09 -0.31 -0.04 2.28 1.85 2o3oG1 PRO 108 HB3 0.06 0.02 -0.18 -0.04 2.02 1.88 2o3oG1 PRO 108 HG2 0.02 -0.04 0.02 -0.04 2.03 1.98 2o3oG1 PRO 108 HG3 0.03 0.01 0.02 -0.04 2.03 2.05 2o3oG1 PRO 108 HD2 0.03 0.04 0.19 -0.04 3.68 3.90 2o3oG1 PRO 108 HD3 0.05 0.21 0.11 -0.04 3.65 3.97 2o3oG1 ILE 109 H -0.11 0.45 0.20 -0.55 8.25 8.25 2o3oG1 ILE 109 HA -0.09 0.12 0.74 -0.75 4.18 4.20 2o3oG1 ILE 109 HB -0.23 -0.10 0.18 -0.04 1.89 1.70 2o3oG1 ILE 109 HG12 -0.27 0.03 -0.03 -0.04 1.49 1.19 2o3oG1 ILE 109 HG13 -0.54 0.10 0.09 -0.04 1.21 0.82 2o3oG1 ILE 109 HG23 -0.13 0.04 -0.07 -0.04 0.93 0.73 2o3oG1 ILE 109 HD13 -0.68 -0.01 -0.01 -0.04 0.88 0.14 2o3oG1 ALA 110 H -0.04 0.16 0.14 -0.55 8.40 8.11 2o3oG1 ALA 110 HA -0.01 0.07 0.44 -0.75 4.34 4.08 2o3oG1 ALA 110 HB3 -0.02 0.01 0.05 -0.04 1.41 1.41 2o3oG1 LEU 111 H -0.01 0.72 0.40 -0.55 8.37 8.94 2o3oG1 LEU 111 HA -0.01 0.06 0.80 -0.75 4.35 4.45 2o3oG1 LEU 111 HB2 0.00 0.15 0.07 -0.04 1.64 1.81 2o3oG1 LEU 111 HB3 0.01 -0.07 0.00 -0.04 1.64 1.54 2o3oG1 LEU 111 HG -0.01 0.09 -0.22 -0.04 1.64 1.46 2o3oG1 LEU 111 HD13 0.03 -0.03 -0.16 -0.04 0.93 0.73 2o3oG1 LEU 111 HD23 0.00 -0.01 -0.18 -0.04 0.89 0.66 2o3oG1 SER 112 H -0.00 0.09 0.02 -0.55 8.46 8.02 2o3oG1 SER 112 HA -0.00 0.07 0.44 -0.75 4.49 4.24 2o3oG1 SER 112 HB2 -0.00 0.11 0.07 -0.04 3.95 4.08 2o3oG1 SER 112 HB3 -0.00 0.03 -0.16 -0.04 3.93 3.76 2o3oG1 LYS 113 H -0.00 0.11 0.15 -0.55 8.42 8.13 2o3oG1 LYS 113 HA -0.00 0.19 0.50 -0.75 4.32 4.24 2o3oG1 LYS 113 HB2 -0.00 -0.06 0.16 -0.04 1.87 1.93 2o3oG1 LYS 113 HB3 -0.00 0.06 0.10 -0.04 1.79 1.90 2o3oG1 LYS 113 HG2 -0.00 0.13 0.10 -0.04 1.46 1.65 2o3oG1 LYS 113 HG3 -0.00 -0.08 0.16 -0.04 1.46 1.49 2o3oG1 LYS 113 HD2 -0.00 0.01 0.04 -0.04 1.69 1.70 2o3oG1 LYS 113 HD3 -0.00 -0.02 0.05 -0.04 1.68 1.66 2o3oG1 LYS 113 HE2 -0.00 -0.00 0.02 -0.04 2.99 2.96 2o3oG1 LYS 113 HE3 -0.00 0.06 0.02 -0.04 2.99 3.03 2o3oG1 LYS 114 H -0.00 0.04 0.02 -0.55 8.42 7.93 2o3oG1 LYS 114 HA -0.01 0.16 0.14 -0.75 4.32 3.86 2o3oG1 LYS 114 HB2 -0.00 0.01 0.02 -0.04 1.87 1.86 2o3oG1 LYS 114 HB3 -0.00 0.06 0.07 -0.04 1.79 1.87 2o3oG1 LYS 114 HG2 -0.00 0.02 -0.02 -0.04 1.46 1.42 2o3oG1 LYS 114 HG3 -0.00 -0.05 0.10 -0.04 1.46 1.46 2o3oG1 LYS 114 HD2 -0.00 0.01 0.02 -0.04 1.69 1.68 2o3oG1 LYS 114 HD3 -0.00 0.03 0.01 -0.04 1.68 1.68 2o3oG1 LYS 114 HE2 -0.00 0.02 0.01 -0.04 2.99 2.97 2o3oG1 LYS 114 HE3 -0.00 -0.02 0.03 -0.04 2.99 2.96 2o3oG1 ASP 115 H -0.00 0.01 -0.32 -0.55 8.40 7.54 2o3oG1 ASP 115 HA -0.00 0.22 0.76 -0.75 4.63 4.85 2o3oG1 ASP 115 HB2 -0.00 -0.02 0.02 -0.04 2.71 2.67 2o3oG1 ASP 115 HB3 0.00 -0.01 0.17 -0.04 2.70 2.82 2o3oG1 ILE 116 H -0.00 0.35 -0.34 -0.55 8.25 7.71 2o3oG1 ILE 116 HA 0.01 0.08 0.07 -0.75 4.18 3.58 2o3oG1 ILE 116 HB -0.00 0.32 0.02 -0.04 1.89 2.19 2o3oG1 ILE 116 HG12 0.01 -0.10 -0.13 -0.04 1.49 1.23 2o3oG1 ILE 116 HG13 0.01 0.07 -0.04 -0.04 1.21 1.21 2o3oG1 ILE 116 HG23 -0.02 -0.02 -0.09 -0.04 0.93 0.76 2o3oG1 ILE 116 HD13 -0.00 0.01 -0.07 -0.04 0.88 0.78 2o3oG1 GLU 117 H -0.01 0.14 -0.09 -0.55 8.60 8.10 2o3oG1 GLU 117 HA -0.01 0.10 0.28 -0.75 4.29 3.91 2o3oG1 GLU 117 HB2 -0.01 -0.00 0.06 -0.04 2.09 2.09 2o3oG1 GLU 117 HB3 -0.02 0.07 0.00 -0.04 1.99 1.99 2o3oG1 GLU 117 HG2 -0.08 0.02 -0.04 -0.04 2.34 2.20 2o3oG1 GLU 117 HG3 -0.04 -0.06 -0.02 -0.04 2.34 2.18 2o3oG1 ASP 118 H 0.01 0.09 -0.30 -0.55 8.40 7.65 2o3oG1 ASP 118 HA 0.04 0.12 0.53 -0.75 4.63 4.56 2o3oG1 ASP 118 HB2 0.01 0.07 0.10 -0.04 2.71 2.85 2o3oG1 ASP 118 HB3 0.01 0.03 -0.05 -0.04 2.70 2.66 2o3oG1 ASP 119 H 0.02 0.37 -0.06 -0.55 8.40 8.18 2o3oG1 ASP 119 HA 0.01 0.03 0.35 -0.75 4.63 4.26 2o3oG1 ASP 119 HB2 0.01 0.09 0.13 -0.04 2.71 2.89 2o3oG1 ASP 119 HB3 -0.00 0.07 0.08 -0.04 2.70 2.81 2o3oG1 ALA 120 H 0.06 0.56 -0.21 -0.55 8.40 8.28 2o3oG1 ALA 120 HA 0.09 0.06 0.50 -0.75 4.34 4.23 2o3oG1 ALA 120 HB3 0.25 0.02 0.01 -0.04 1.41 1.65 2o3oG1 GLN 121 H 0.16 0.38 -0.19 -0.55 8.47 8.27 2o3oG1 GLN 121 HA 0.20 0.04 0.37 -0.75 4.36 4.22 2o3oG1 GLN 121 HB2 0.09 0.11 0.21 -0.04 2.15 2.52 2o3oG1 GLN 121 HB3 0.09 -0.01 -0.01 -0.04 2.02 2.06 2o3oG1 GLN 121 HG2 0.20 0.07 0.13 -0.04 2.40 2.76 2o3oG1 GLN 121 HG3 0.10 -0.05 0.07 -0.04 2.39 2.48 2o3oG1 GLN 121 HE21 0.26 0.37 0.10 -0.04 6.97 7.66 2o3oG1 GLN 121 HE22 0.17 -0.06 0.07 -0.04 7.69 7.83 2o3oG1 ALA 122 H 0.04 0.55 -0.13 -0.55 8.40 8.31 2o3oG1 ALA 122 HA -0.00 0.00 0.28 -0.75 4.34 3.87 2o3oG1 ALA 122 HB3 -0.00 0.01 0.06 -0.04 1.41 1.44 2o3oG1 LEU 123 H -0.02 0.48 -0.28 -0.55 8.37 8.00 2o3oG1 LEU 123 HA -0.07 0.02 0.42 -0.75 4.35 3.96 2o3oG1 LEU 123 HB2 -0.08 0.01 0.09 -0.04 1.64 1.62 2o3oG1 LEU 123 HB3 -0.05 0.12 0.19 -0.04 1.64 1.86 2o3oG1 LEU 123 HG -0.08 -0.01 -0.19 -0.04 1.64 1.32 2o3oG1 LEU 123 HD13 -0.15 -0.02 -0.11 -0.04 0.93 0.61 2o3oG1 LEU 123 HD23 -0.13 -0.01 -0.04 -0.04 0.89 0.67 2o3oG1 VAL 124 H -0.15 0.57 -0.06 -0.55 8.24 8.05 2o3oG1 VAL 124 HA -0.27 -0.03 0.30 -0.75 4.13 3.36 2o3oG1 VAL 124 HB -0.33 0.12 0.10 -0.04 2.12 1.98 2o3oG1 VAL 124 HG13 -0.45 -0.03 -0.12 -0.04 0.97 0.33 2o3oG1 VAL 124 HG23 -0.97 0.05 -0.02 -0.04 0.95 -0.03 2o3oG1 SER 125 H -0.07 0.75 -0.16 -0.55 8.46 8.43 2o3oG1 SER 125 HA -0.03 -0.12 0.18 -0.75 4.49 3.77 2o3oG1 SER 125 HB2 -0.02 0.09 0.05 -0.04 3.95 4.03 2o3oG1 SER 125 HB3 -0.01 -0.08 -0.11 -0.04 3.93 3.70 2o3oG1 SER 126 H -0.04 0.43 -0.23 -0.55 8.46 8.07 2o3oG1 SER 126 HA -0.01 0.09 0.61 -0.75 4.49 4.42 2o3oG1 SER 126 HB2 -0.01 -0.06 0.07 -0.04 3.95 3.90 2o3oG1 SER 126 HB3 -0.01 -0.10 0.04 -0.04 3.93 3.81 2o3oG1 LYS 127 H -0.05 0.39 -0.05 -0.55 8.42 8.16 2o3oG1 LYS 127 HA 0.03 0.19 1.00 -0.75 4.32 4.79 2o3oG1 LYS 127 HB2 0.01 0.12 0.04 -0.04 1.87 1.99 2o3oG1 LYS 127 HB3 0.20 -0.03 -0.05 -0.04 1.79 1.87 2o3oG1 LYS 127 HG2 0.06 0.03 -0.03 -0.04 1.46 1.49 2o3oG1 LYS 127 HG3 -0.00 -0.06 -0.30 -0.04 1.46 1.06 2o3oG1 LYS 127 HD2 -0.12 -0.05 -0.04 -0.04 1.69 1.44 2o3oG1 LYS 127 HD3 -0.05 0.02 -0.04 -0.04 1.68 1.56 2o3oG1 LYS 127 HE2 -0.07 -0.05 -0.03 -0.04 2.99 2.80 2o3oG1 LYS 127 HE3 0.04 0.06 -0.02 -0.04 2.99 3.02 2o3oG1 ILE 128 H -0.11 0.40 0.09 -0.55 8.25 8.08 2o3oG1 ILE 128 HA -0.14 0.15 0.83 -0.75 4.18 4.27 2o3oG1 ILE 128 HB -0.32 0.07 0.08 -0.04 1.89 1.68 2o3oG1 ILE 128 HG12 -1.07 0.05 -0.16 -0.04 1.49 0.27 2o3oG1 ILE 128 HG13 -0.38 -0.04 -0.17 -0.04 1.21 0.57 2o3oG1 ILE 128 HG23 -0.33 0.06 -0.11 -0.04 0.93 0.50 2o3oG1 ILE 128 HD13 -0.94 -0.02 -0.12 -0.04 0.88 -0.24 2o3oG1 GLN 129 H 0.01 0.13 0.06 -0.55 8.47 8.13 2o3oG1 GLN 129 HA 0.05 0.03 0.43 -0.75 4.36 4.12 2o3oG1 GLN 129 HB2 0.12 0.08 0.06 -0.04 2.15 2.36 2o3oG1 GLN 129 HB3 0.20 0.00 -0.00 -0.04 2.02 2.18 2o3oG1 GLN 129 HG2 0.13 -0.01 -0.14 -0.04 2.40 2.34 2o3oG1 GLN 129 HG3 0.09 -0.02 0.03 -0.04 2.39 2.44 2o3oG1 GLN 129 HE21 0.19 -0.09 -0.10 -0.04 6.97 6.92 2o3oG1 GLN 129 HE22 0.15 0.08 -0.07 -0.04 7.69 7.81 2o3oG1 ASP 130 H 0.06 0.13 0.15 -0.55 8.40 8.20 2o3oG1 ASP 130 HA 0.06 -0.03 0.32 -0.75 4.63 4.23 2o3oG1 ASP 130 HB2 0.23 0.21 -0.28 -0.04 2.71 2.83 2o3oG1 ASP 130 HB3 0.11 -0.03 0.15 -0.04 2.70 2.89 2o3oG1 GLY 131 H 0.04 0.44 -0.41 -0.55 8.43 7.96 2o3oG1 GLY 131 HA2 0.07 0.02 0.09 -0.51 4.01 3.68 2o3oG1 GLY 131 HA3 -0.03 0.37 0.08 -0.51 4.01 3.92 2o3oG1 GLU 132 H 0.04 0.08 -0.27 -0.55 8.60 7.90 2o3oG1 GLU 132 HA 0.02 0.06 0.33 -0.75 4.29 3.94 2o3oG1 GLU 132 HB2 -0.01 -0.01 0.05 -0.04 2.09 2.08 2o3oG1 GLU 132 HB3 0.00 0.03 0.08 -0.04 1.99 2.06 2o3oG1 GLU 132 HG2 -0.03 0.08 -0.22 -0.04 2.34 2.12 2o3oG1 GLU 132 HG3 -0.03 -0.03 -0.06 -0.04 2.34 2.19 2o3oG1 LYS 133 H 0.07 0.47 -0.55 -0.55 8.42 7.85 2o3oG1 LYS 133 HA -0.10 0.02 0.29 -0.75 4.32 3.77 2o3oG1 LYS 133 HB2 -0.19 0.20 0.10 -0.04 1.87 1.94 2o3oG1 LYS 133 HB3 -0.22 -0.05 0.18 -0.04 1.79 1.65 2o3oG1 LYS 133 HG2 -0.10 -0.05 -0.07 -0.04 1.46 1.20 2o3oG1 LYS 133 HG3 -0.03 -0.04 0.00 -0.04 1.46 1.35 2o3oG1 LYS 133 HD2 -0.05 0.06 0.06 -0.04 1.69 1.71 2o3oG1 LYS 133 HD3 -0.15 -0.01 0.04 -0.04 1.68 1.52 2o3oG1 LYS 133 HE2 -0.03 -0.02 0.02 -0.04 2.99 2.92 2o3oG1 LYS 133 HE3 -0.04 -0.04 0.03 -0.04 2.99 2.90 2o3oG1 TYR 134 H 0.20 0.54 -0.37 -0.55 8.29 8.11 2o3oG1 TYR 134 HA 0.10 0.18 0.92 -0.75 4.56 5.00 2o3oG1 TYR 134 HB2 -0.03 0.08 -0.04 -0.04 3.06 3.03 2o3oG1 TYR 134 HB3 0.18 -0.08 -0.24 -0.04 2.98 2.80 2o3oG1 TYR 134 HD2 0.08 0.01 -0.29 -0.04 7.15 6.91 2o3oG1 TYR 134 HE2 0.08 0.03 -0.33 -0.04 6.85 6.58 2o3oG1 LYS 135 H 0.30 0.71 0.22 -0.55 8.42 9.09 2o3oG1 LYS 135 HA 0.23 0.13 0.88 -0.75 4.32 4.80 2o3oG1 LYS 135 HB2 -0.03 0.04 -0.08 -0.04 1.87 1.76 2o3oG1 LYS 135 HB3 -0.07 0.06 0.01 -0.04 1.79 1.74 2o3oG1 LYS 135 HG2 0.07 0.10 -0.18 -0.04 1.46 1.41 2o3oG1 LYS 135 HG3 0.05 -0.13 0.10 -0.04 1.46 1.43 2o3oG1 LYS 135 HD2 -0.42 0.11 -0.01 -0.04 1.69 1.34 2o3oG1 LYS 135 HD3 -0.21 -0.03 0.00 -0.04 1.68 1.40 2o3oG1 LYS 135 HE2 -0.02 -0.06 0.02 -0.04 2.99 2.89 2o3oG1 LYS 135 HE3 -0.03 0.00 0.02 -0.04 2.99 2.94 2o3oG1 LEU 136 H 0.10 0.13 0.14 -0.55 8.37 8.19 2o3oG1 LEU 136 HA -0.64 0.04 0.37 -0.75 4.35 3.37 2o3oG1 LEU 136 HB2 -0.38 0.02 0.04 -0.04 1.64 1.28 2o3oG1 LEU 136 HB3 -0.09 -0.00 0.12 -0.04 1.64 1.63 2o3oG1 LEU 136 HG -0.20 0.01 -0.28 -0.04 1.64 1.13 2o3oG1 LEU 136 HD13 -0.55 -0.01 -0.17 -0.04 0.93 0.16 2o3oG1 LEU 136 HD23 -0.19 -0.01 -0.05 -0.04 0.89 0.60 2o3oG1 TRP 137 H -0.19 0.63 0.52 -0.55 7.97 8.38 2o3oG1 TRP 137 HA -0.22 0.15 0.88 -0.75 4.62 4.67 2o3oG1 TRP 137 HB2 -1.03 -0.03 0.05 -0.04 3.23 2.18 2o3oG1 TRP 137 HB3 -0.72 0.12 0.13 -0.04 3.23 2.71 2o3oG1 TRP 137 HD1 -0.41 -0.01 -0.11 -0.04 7.22 6.65 2o3oG1 TRP 137 HE1 -0.03 -0.03 -0.05 -0.04 10.20 10.05 2o3oG1 TRP 137 HE3 -0.84 0.06 0.05 -0.04 7.59 6.81 2o3oG1 TRP 137 HZ2 -0.07 -0.01 -0.04 -0.04 7.44 7.28 2o3oG1 TRP 137 HZ3 -0.32 -0.01 0.00 -0.04 7.13 6.75 2o3oG1 TRP 137 HH2 0.02 -0.02 -0.04 -0.04 7.19 7.11 2o3oG1 LYS 138 H -0.21 0.34 0.31 -0.55 8.42 8.31 2o3oG1 LYS 138 HA -0.36 0.12 0.80 -0.75 4.32 4.13 2o3oG1 LYS 138 HB2 -0.57 0.09 -0.32 -0.04 1.87 1.03 2o3oG1 LYS 138 HB3 -0.11 -0.03 0.01 -0.04 1.79 1.63 2o3oG1 LYS 138 HG2 -0.14 -0.07 -0.40 -0.04 1.46 0.81 2o3oG1 LYS 138 HG3 -0.27 0.04 -0.03 -0.04 1.46 1.16 2o3oG1 LYS 138 HD2 -0.13 0.04 -0.07 -0.04 1.69 1.49 2o3oG1 LYS 138 HD3 -0.01 0.00 -0.09 -0.04 1.68 1.54 2o3oG1 LYS 138 HE2 -0.05 -0.09 -0.08 -0.04 2.99 2.72 2o3oG1 LYS 138 HE3 -0.10 0.03 -0.04 -0.04 2.99 2.83 2o3oG1 VAL 139 H -0.17 0.22 0.11 -0.55 8.24 7.85 2o3oG1 VAL 139 HA -0.09 0.21 0.99 -0.75 4.13 4.49 2o3oG1 VAL 139 HB -0.08 -0.01 0.21 -0.04 2.12 2.19 2o3oG1 VAL 139 HG13 -0.04 0.00 -0.12 -0.04 0.97 0.77 2o3oG1 VAL 139 HG23 -0.10 -0.00 -0.06 -0.04 0.95 0.75 2o3oG1 ASP 140 H -0.05 0.54 0.05 -0.55 8.40 8.40 2o3oG1 ASP 140 HA -0.04 0.10 0.82 -0.75 4.63 4.75 2o3oG1 ASP 140 HB2 -0.03 0.06 -0.04 -0.04 2.71 2.66 2o3oG1 ASP 140 HB3 -0.01 0.01 0.11 -0.04 2.70 2.78 2o3oG1 LYS 141 H -0.03 0.26 0.16 -0.55 8.42 8.26 2o3oG1 LYS 141 HA -0.01 0.09 0.34 -0.75 4.32 3.99 2o3oG1 LYS 141 HB2 -0.01 -0.02 0.11 -0.04 1.87 1.91 2o3oG1 LYS 141 HB3 -0.01 0.04 0.03 -0.04 1.79 1.81 2o3oG1 LYS 141 HG2 -0.02 0.01 -0.03 -0.04 1.46 1.37 2o3oG1 LYS 141 HG3 -0.03 0.06 0.07 -0.04 1.46 1.52 2o3oG1 LYS 141 HD2 -0.02 0.00 0.03 -0.04 1.69 1.66 2o3oG1 LYS 141 HD3 -0.01 0.01 0.00 -0.04 1.68 1.64 2o3oG1 LYS 141 HE2 -0.02 -0.00 -0.01 -0.04 2.99 2.92 2o3oG1 LYS 141 HE3 -0.03 0.02 0.03 -0.04 2.99 2.97 2o3oG1 SER 142 H -0.01 0.05 -0.05 -0.55 8.46 7.91 2o3oG1 SER 142 HA 0.01 0.11 0.43 -0.75 4.49 4.28 2o3oG1 SER 142 HB2 0.01 0.08 -0.01 -0.04 3.95 3.98 2o3oG1 SER 142 HB3 0.00 0.02 0.10 -0.04 3.93 4.01 2o3oG1 LYS 143 H 0.01 0.01 -0.23 -0.55 8.42 7.66 2o3oG1 LYS 143 HA 0.03 0.16 0.61 -0.75 4.32 4.37 2o3oG1 LYS 143 HB2 0.03 -0.02 -0.03 -0.04 1.87 1.81 2o3oG1 LYS 143 HB3 0.05 0.06 0.08 -0.04 1.79 1.94 2o3oG1 LYS 143 HG2 0.03 0.05 -0.03 -0.04 1.46 1.47 2o3oG1 LYS 143 HG3 0.02 -0.14 -0.05 -0.04 1.46 1.25 2o3oG1 LYS 143 HD2 0.03 -0.03 -0.03 -0.04 1.69 1.62 2o3oG1 LYS 143 HD3 0.05 0.09 -0.01 -0.04 1.68 1.76 2o3oG1 LYS 143 HE2 0.02 -0.08 -0.02 -0.04 2.99 2.86 2o3oG1 LYS 143 HE3 0.04 0.05 -0.02 -0.04 2.99 3.02 2o3oG1 LYS 144 H 0.02 0.13 -0.62 -0.55 8.42 7.39 2o3oG1 LYS 144 HA 0.02 -0.03 0.32 -0.75 4.32 3.87 2o3oG1 LYS 144 HB2 0.06 0.12 0.01 -0.04 1.87 2.02 2o3oG1 LYS 144 HB3 0.05 0.04 0.27 -0.04 1.79 2.10 2o3oG1 LYS 144 HG2 0.02 0.13 0.07 -0.04 1.46 1.64 2o3oG1 LYS 144 HG3 0.03 0.04 -0.10 -0.04 1.46 1.39 2o3oG1 LYS 144 HD2 0.03 -0.11 -0.02 -0.04 1.69 1.54 2o3oG1 LYS 144 HD3 0.02 -0.05 0.03 -0.04 1.68 1.64 2o3oG1 LYS 144 HE2 0.04 0.08 0.07 -0.04 2.99 3.13 2o3oG1 LYS 144 HE3 0.03 -0.01 0.21 -0.04 2.99 3.18 2o3oG1 GLU 145 H 0.00 0.44 0.05 -0.55 8.60 8.55 2o3oG1 GLU 145 HA -0.02 0.19 0.83 -0.75 4.29 4.54 2o3oG1 GLU 145 HB2 -0.15 0.11 0.07 -0.04 2.09 2.09 2o3oG1 GLU 145 HB3 -0.06 0.12 -0.20 -0.04 1.99 1.80 2o3oG1 GLU 145 HG2 0.00 -0.12 -0.17 -0.04 2.34 2.01 2o3oG1 GLU 145 HG3 -0.02 -0.11 -0.25 -0.04 2.34 1.93 2o3oG1 ILE 146 H -0.00 0.48 0.28 -0.55 8.25 8.46 2o3oG1 ILE 146 HA -0.05 0.18 0.98 -0.75 4.18 4.54 2o3oG1 ILE 146 HB 0.17 -0.05 0.09 -0.04 1.89 2.06 2o3oG1 ILE 146 HG12 -0.02 0.01 -0.04 -0.04 1.49 1.40 2o3oG1 ILE 146 HG13 0.03 -0.03 -0.39 -0.04 1.21 0.78 2o3oG1 ILE 146 HG23 -0.19 0.00 -0.12 -0.04 0.93 0.58 2o3oG1 ILE 146 HD13 0.05 -0.00 -0.12 -0.04 0.88 0.77 2o3oG1 ILE 147 H -0.12 0.59 0.34 -0.55 8.25 8.51 2o3oG1 ILE 147 HA 0.11 0.32 1.10 -0.75 4.18 4.95 2o3oG1 ILE 147 HB -0.00 -0.13 0.17 -0.04 1.89 1.89 2o3oG1 ILE 147 HG12 0.03 0.10 -0.21 -0.04 1.49 1.37 2o3oG1 ILE 147 HG13 -0.00 -0.08 -0.20 -0.04 1.21 0.88 2o3oG1 ILE 147 HG23 0.05 0.02 -0.16 -0.04 0.93 0.81 2o3oG1 ILE 147 HD13 0.08 0.00 -0.07 -0.04 0.88 0.84 2o3oG1 PHE 148 H 0.33 0.93 0.44 -0.55 8.34 9.49 2o3oG1 PHE 148 HA 0.10 0.05 0.96 -0.75 4.62 4.97 2o3oG1 PHE 148 HB2 0.05 -0.05 0.16 -0.04 3.15 3.27 2o3oG1 PHE 148 HB3 0.22 0.06 -0.20 -0.04 3.06 3.10 2o3oG1 PHE 148 HD2 0.05 0.09 -0.41 -0.04 7.28 6.98 2o3oG1 PHE 148 HE2 0.01 -0.02 -0.19 -0.04 7.38 7.14 2o3oG1 PHE 148 HZ -0.00 -0.12 -0.39 -0.04 7.32 6.77 2o3oG1 PHE 149 H 0.35 0.51 0.33 -0.55 8.34 8.98 2o3oG1 PHE 149 HA 0.17 0.20 1.11 -0.75 4.62 5.35 2o3oG1 PHE 149 HB2 0.31 -0.07 0.12 -0.04 3.15 3.46 2o3oG1 PHE 149 HB3 0.04 0.20 0.03 -0.04 3.06 3.30 2o3oG1 PHE 149 HD2 -0.46 0.04 -0.09 -0.04 7.28 6.72 2o3oG1 PHE 149 HE2 -1.31 -0.01 -0.11 -0.04 7.38 5.91 2o3oG1 PHE 149 HZ -0.61 0.08 -0.03 -0.04 7.32 6.73 2o3oG1 GLN 150 H 0.24 0.87 0.41 -0.55 8.47 9.44 2o3oG1 GLN 150 HA -0.32 0.09 0.61 -0.75 4.36 3.98 2o3oG1 GLN 150 HB2 -0.20 -0.03 0.07 -0.04 2.15 1.95 2o3oG1 GLN 150 HB3 -0.03 -0.04 0.14 -0.04 2.02 2.05 2o3oG1 GLN 150 HG2 -0.11 0.16 0.05 -0.04 2.40 2.45 2o3oG1 GLN 150 HG3 -0.49 0.09 0.15 -0.04 2.39 2.10 2o3oG1 GLN 150 HE21 0.18 0.39 0.21 -0.04 6.97 7.71 2o3oG1 GLN 150 HE22 0.04 0.01 0.07 -0.04 7.69 7.78 2o3oG1 THR 151 H -0.18 0.49 0.34 -0.55 8.28 8.39 2o3oG1 THR 151 HA -0.03 0.18 0.97 -0.75 4.39 4.75 2o3oG1 THR 151 HB -0.12 -0.07 -0.46 -0.04 4.32 3.63 2o3oG1 THR 151 HG23 -0.11 -0.00 -0.25 -0.04 1.22 0.83 2o3oG1 TYR 152 H 0.02 0.73 0.05 -0.55 8.29 8.54 2o3oG1 TYR 152 HA -0.39 0.07 0.46 -0.75 4.56 3.96 2o3oG1 TYR 152 HB2 -0.35 0.06 -0.10 -0.04 3.06 2.63 2o3oG1 TYR 152 HB3 -0.49 0.02 -0.02 -0.04 2.98 2.45 2o3oG1 TYR 152 HD2 -0.67 0.03 -0.12 -0.04 7.15 6.36 2o3oG1 TYR 152 HE2 -0.09 -0.01 -0.07 -0.04 6.85 6.63 2o3oG1 GLU 153 H -0.66 0.17 0.03 -0.55 8.60 7.59 2o3oG1 GLU 153 HA -0.30 0.04 0.30 -0.75 4.29 3.57 2o3oG1 GLU 153 HB2 0.09 0.13 0.00 -0.04 2.09 2.27 2o3oG1 GLU 153 HB3 -0.08 0.02 0.21 -0.04 1.99 2.10 2o3oG1 GLU 153 HG2 -0.40 0.01 0.04 -0.04 2.34 1.96 2o3oG1 GLU 153 HG3 -1.14 -0.05 -0.11 -0.04 2.34 0.99 2o3oG1 GLY 154 H -0.22 0.08 -0.39 -0.55 8.43 7.36 2o3oG1 GLY 154 HA2 -0.19 0.02 0.25 -0.51 4.01 3.59 2o3oG1 GLY 154 HA3 -0.30 0.12 0.54 -0.51 4.01 3.86 2o3oG1 HIS 155 H -0.23 0.39 -0.59 -0.55 8.41 7.44 2o3oG1 HIS 155 HA -0.01 0.03 0.37 -0.75 4.63 4.27 2o3oG1 HIS 155 HB2 0.30 0.00 0.03 -0.04 3.26 3.55 2o3oG1 HIS 155 HB3 0.20 0.16 0.18 -0.04 3.20 3.69 2o3oG1 HIS 155 HD2 0.32 -0.01 0.05 -0.04 6.97 7.29 2o3oG1 HIS 155 HE1 0.13 -0.06 0.06 -0.04 7.75 7.83 2o3oG1 TYR 156 H 0.05 0.12 0.23 -0.55 8.29 8.13 2o3oG1 TYR 156 HA -0.09 0.18 0.40 -0.75 4.56 4.30 2o3oG1 TYR 156 HB2 -0.97 -0.06 0.14 -0.04 3.06 2.14 2o3oG1 TYR 156 HB3 -1.00 0.01 -0.16 -0.04 2.98 1.79 2o3oG1 TYR 156 HD2 0.16 0.02 -0.00 -0.04 7.15 7.29 2o3oG1 TYR 156 HE2 0.31 -0.00 -0.14 -0.04 6.85 6.97 2o3oG1 ILE 157 H -0.02 0.67 0.25 -0.55 8.25 8.61 2o3oG1 ILE 157 HA -0.04 0.05 0.84 -0.75 4.18 4.27 2o3oG1 ILE 157 HB -0.09 0.14 0.15 -0.04 1.89 2.05 2o3oG1 ILE 157 HG12 -0.03 -0.08 -0.16 -0.04 1.49 1.18 2o3oG1 ILE 157 HG13 -0.01 0.02 -0.30 -0.04 1.21 0.88 2o3oG1 ILE 157 HG23 -0.10 -0.02 -0.25 -0.04 0.93 0.52 2o3oG1 ILE 157 HD13 0.08 -0.02 -0.24 -0.04 0.88 0.66 2o3oG1 TYR 158 H -0.16 0.40 0.02 -0.55 8.29 8.00 2o3oG1 TYR 158 HA -0.90 -0.02 0.32 -0.75 4.56 3.21 2o3oG1 TYR 158 HB2 -0.21 0.04 0.04 -0.04 3.06 2.89 2o3oG1 TYR 158 HB3 -0.33 -0.02 -0.06 -0.04 2.98 2.53 2o3oG1 TYR 158 HD2 -0.43 0.04 -0.07 -0.04 7.15 6.65 2o3oG1 TYR 158 HE2 -0.01 -0.01 -0.15 -0.04 6.85 6.64 2o3oG1 GLN 159 H -1.01 0.20 0.20 -0.55 8.47 7.31 2o3oG1 GLN 159 HA -0.21 0.05 0.58 -0.75 4.36 4.03 2o3oG1 GLN 159 HB2 -0.19 0.21 0.07 -0.04 2.15 2.20 2o3oG1 GLN 159 HB3 -0.22 0.02 0.12 -0.04 2.02 1.90 2o3oG1 GLN 159 HG2 -0.73 0.24 -0.45 -0.04 2.40 1.42 2o3oG1 GLN 159 HG3 -1.09 -0.11 -0.08 -0.04 2.39 1.06 2o3oG1 GLN 159 HE21 -0.03 -0.22 0.02 -0.04 6.97 6.70 2o3oG1 GLN 159 HE22 -0.24 0.22 0.07 -0.04 7.69 7.70 2o3oG1 LYS 160 H -0.06 0.21 0.17 -0.55 8.42 8.18 2o3oG1 LYS 160 HA 0.04 0.06 0.59 -0.75 4.32 4.26 2o3oG1 LYS 160 HB2 0.01 0.05 0.20 -0.04 1.87 2.09 2o3oG1 LYS 160 HB3 0.04 -0.18 0.06 -0.04 1.79 1.67 2o3oG1 LYS 160 HG2 0.02 0.02 0.03 -0.04 1.46 1.49 2o3oG1 LYS 160 HG3 -0.00 0.04 0.03 -0.04 1.46 1.48 2o3oG1 LYS 160 HD2 0.02 -0.01 0.04 -0.04 1.69 1.70 2o3oG1 LYS 160 HD3 0.03 -0.03 0.03 -0.04 1.68 1.66 2o3oG1 LYS 160 HE2 0.02 0.01 -0.00 -0.04 2.99 2.97 2o3oG1 LYS 160 HE3 0.01 0.05 0.00 -0.04 2.99 3.01 2o3oG1 THR 161 H 0.13 0.15 0.12 -0.55 8.28 8.13 2o3oG1 THR 161 HA 0.15 0.25 0.58 -0.75 4.39 4.62 2o3oG1 THR 161 HB 0.15 0.01 0.09 -0.04 4.32 4.53 2o3oG1 THR 161 HG23 0.34 0.03 -0.11 -0.04 1.22 1.44 2o3oG1 ASP 162 H 0.07 -0.00 -0.34 -0.55 8.40 7.58 2o3oG1 ASP 162 HA 0.06 0.09 0.52 -0.75 4.63 4.55 2o3oG1 ASP 162 HB2 0.04 -0.07 0.12 -0.04 2.71 2.76 2o3oG1 ASP 162 HB3 0.04 0.02 -0.01 -0.04 2.70 2.72 2o3oG1 ASN 163 H 0.05 0.15 -0.04 -0.55 8.53 8.15 2o3oG1 ASN 163 HA 0.05 0.31 0.67 -0.75 4.76 5.04 2o3oG1 ASN 163 HB2 0.04 0.04 -0.01 -0.04 2.88 2.91 2o3oG1 ASN 163 HB3 0.04 0.06 -0.21 -0.04 2.79 2.64 2o3oG1 ASN 163 HD21 0.03 0.02 -0.01 -0.04 7.03 7.03 2o3oG1 ASN 163 HD22 0.03 0.07 -0.04 -0.04 7.74 7.76 2o3oG1 PRO 164 HA 0.06 0.14 0.24 -0.51 4.44 4.38 2o3oG1 PRO 164 HB2 0.04 0.03 -0.06 -0.04 2.28 2.25 2o3oG1 PRO 164 HB3 0.06 0.07 0.04 -0.04 2.02 2.15 2o3oG1 PRO 164 HG2 0.04 0.04 0.02 -0.04 2.03 2.10 2o3oG1 PRO 164 HG3 0.06 0.08 0.02 -0.04 2.03 2.14 2o3oG1 PRO 164 HD2 0.04 0.07 0.10 -0.04 3.68 3.85 2o3oG1 PRO 164 HD3 0.05 0.18 0.19 -0.04 3.65 4.02 2o3oG1 SER 165 H 0.04 -0.05 -0.54 -0.55 8.46 7.36 2o3oG1 SER 165 HA 0.03 0.12 0.56 -0.75 4.49 4.45 2o3oG1 SER 165 HB2 0.03 -0.11 0.06 -0.04 3.95 3.88 2o3oG1 SER 165 HB3 0.02 0.04 -0.03 -0.04 3.93 3.93 2o3oG1 ASN 166 H 0.03 0.03 -0.07 -0.55 8.53 7.98 2o3oG1 ASN 166 HA 0.00 0.19 0.40 -0.75 4.76 4.60 2o3oG1 ASN 166 HB2 0.02 -0.06 0.15 -0.04 2.88 2.94 2o3oG1 ASN 166 HB3 -0.01 -0.07 0.16 -0.04 2.79 2.83 2o3oG1 ASN 166 HD21 0.01 0.03 -0.01 -0.04 7.03 7.02 2o3oG1 ASN 166 HD22 0.00 -0.07 0.05 -0.04 7.74 7.67 2o3oG1 ILE 168 HA 0.03 0.02 0.23 -0.75 4.18 3.70 2o3oG1 ILE 168 HB -0.03 -0.05 -0.06 -0.04 1.89 1.71 2o3oG1 ILE 168 HG12 -0.07 0.05 -0.03 -0.04 1.49 1.41 2o3oG1 ILE 168 HG13 -0.03 0.01 -0.41 -0.04 1.21 0.74 2o3oG1 ILE 168 HG23 -0.03 0.02 -0.35 -0.04 0.93 0.53 2o3oG1 ILE 168 HD13 -0.08 -0.02 -0.16 -0.04 0.88 0.58 2o3oG1 GLY 169 H 0.06 0.26 -0.05 -0.55 8.43 8.16 2o3oG1 GLY 169 HA2 0.16 0.12 0.38 -0.51 4.01 4.17 2o3oG1 GLY 169 HA3 0.07 -0.06 0.26 -0.51 4.01 3.76 2o3oG1 GLN 170 H 0.24 0.22 0.15 -0.55 8.47 8.53 2o3oG1 GLN 170 HA 0.46 0.18 1.00 -0.75 4.36 5.25 2o3oG1 GLN 170 HB2 0.21 -0.06 -0.13 -0.04 2.15 2.13 2o3oG1 GLN 170 HB3 0.32 0.12 0.07 -0.04 2.02 2.48 2o3oG1 GLN 170 HG2 0.44 0.06 -0.13 -0.04 2.40 2.73 2o3oG1 GLN 170 HG3 0.17 -0.18 -0.42 -0.04 2.39 1.92 2o3oG1 GLN 170 HE21 0.14 0.16 -0.25 -0.04 6.97 6.98 2o3oG1 GLN 170 HE22 0.04 0.07 -0.31 -0.04 7.69 7.45 2o3oG1 VAL 171 H 0.26 0.36 0.27 -0.55 8.24 8.58 2o3oG1 VAL 171 HA -0.03 0.38 0.97 -0.75 4.13 4.70 2o3oG1 VAL 171 HB -0.37 -0.08 0.08 -0.04 2.12 1.71 2o3oG1 VAL 171 HG13 -0.26 -0.02 -0.19 -0.04 0.97 0.46 2o3oG1 VAL 171 HG23 -0.91 0.01 -0.06 -0.04 0.95 -0.05 2o3oG1 VAL 172 H 0.08 0.56 0.27 -0.55 8.24 8.60 2o3oG1 VAL 172 HA 0.10 0.34 1.10 -0.75 4.13 4.92 2o3oG1 VAL 172 HB 0.03 -0.05 0.11 -0.04 2.12 2.17 2o3oG1 VAL 172 HG13 -0.19 0.01 -0.17 -0.04 0.97 0.58 2o3oG1 VAL 172 HG23 0.10 -0.02 -0.26 -0.04 0.95 0.73 2o3oG1 LEU 173 H 0.10 0.40 0.29 -0.55 8.37 8.61 2o3oG1 LEU 173 HA 0.13 0.20 0.88 -0.75 4.35 4.80 2o3oG1 LEU 173 HB2 0.11 -0.14 0.10 -0.04 1.64 1.66 2o3oG1 LEU 173 HB3 0.13 0.04 0.03 -0.04 1.64 1.80 2o3oG1 LEU 173 HG 0.13 -0.01 -0.03 -0.04 1.64 1.69 2o3oG1 LEU 173 HD13 0.12 -0.00 -0.04 -0.04 0.93 0.96 2o3oG1 LEU 173 HD23 0.06 0.01 -0.11 -0.04 0.89 0.82 2o3oG1 HIS 174 H 0.21 0.80 0.45 -0.55 8.41 9.33 2o3oG1 HIS 174 HA 0.06 0.29 1.06 -0.75 4.63 5.29 2o3oG1 HIS 174 HB2 0.05 -0.12 0.16 -0.04 3.26 3.32 2o3oG1 HIS 174 HB3 0.04 0.06 0.05 -0.04 3.20 3.30 2o3oG1 HIS 174 HD2 0.04 -0.03 -0.30 -0.04 6.97 6.63 2o3oG1 HIS 174 HE1 0.04 -0.02 -0.08 -0.04 7.75 7.64 2o3oG1 LEU 175 H 0.10 0.75 0.30 -0.55 8.37 8.98 2o3oG1 LEU 175 HA 0.08 0.19 0.96 -0.75 4.35 4.84 2o3oG1 LEU 175 HB2 0.04 0.00 -0.14 -0.04 1.64 1.50 2o3oG1 LEU 175 HB3 0.04 -0.13 -0.16 -0.04 1.64 1.35 2o3oG1 LEU 175 HG 0.05 0.03 -0.38 -0.04 1.64 1.31 2o3oG1 LEU 175 HD13 0.02 -0.02 -0.29 -0.04 0.93 0.61 2o3oG1 LEU 175 HD23 0.06 -0.00 -0.43 -0.04 0.89 0.47 2o3oG1 ASN 176 H 0.05 0.43 0.28 -0.55 8.53 8.74 2o3oG1 ASN 176 HA 0.03 0.16 0.54 -0.75 4.76 4.74 2o3oG1 ASN 176 HB2 0.04 0.07 0.02 -0.04 2.88 2.96 2o3oG1 ASN 176 HB3 0.03 -0.01 0.06 -0.04 2.79 2.82 2o3oG1 ASN 176 HD21 0.01 -0.00 0.01 -0.04 7.03 7.01 2o3oG1 ASN 176 HD22 0.02 -0.01 -0.05 -0.04 7.74 7.65 2o3oG1 GLY 177 H 0.02 0.25 0.05 -0.55 8.43 8.20 2o3oG1 GLY 177 HA2 0.01 0.07 0.33 -0.51 4.01 3.92 2o3oG1 GLY 177 HA3 0.01 0.10 0.09 -0.51 4.01 3.70 2o3oG1 LYS 178 H 0.01 0.34 0.27 -0.55 8.42 8.49 2o3oG1 LYS 178 HA 0.01 0.18 0.74 -0.75 4.32 4.49 2o3oG1 LYS 178 HB2 0.01 0.01 0.07 -0.04 1.87 1.91 2o3oG1 LYS 178 HB3 0.00 0.04 0.14 -0.04 1.79 1.93 2o3oG1 LYS 178 HG2 0.00 0.03 0.01 -0.04 1.46 1.47 2o3oG1 LYS 178 HG3 0.00 -0.02 -0.06 -0.04 1.46 1.34 2o3oG1 LYS 178 HD2 0.00 0.00 -0.00 -0.04 1.69 1.65 2o3oG1 LYS 178 HD3 0.00 0.01 0.02 -0.04 1.68 1.67 2o3oG1 LYS 178 HE2 0.00 -0.01 -0.00 -0.04 2.99 2.93 2o3oG1 LYS 178 HE3 0.00 -0.01 0.01 -0.04 2.99 2.95 2o3oG1 ASN 179 H 0.01 0.09 -0.60 -0.55 8.53 7.49 2o3oG1 ASN 179 HA 0.02 -0.02 0.11 -0.75 4.76 4.12 2o3oG1 ASN 179 HB2 0.00 0.20 0.08 -0.04 2.88 3.13 2o3oG1 ASN 179 HB3 0.01 -0.02 0.07 -0.04 2.79 2.81 2o3oG1 ASN 179 HD21 0.00 -0.01 -0.09 -0.04 7.03 6.89 2o3oG1 ASN 179 HD22 0.00 0.02 -0.26 -0.04 7.74 7.46 2o3oG1 GLU 180 H 0.02 0.23 -0.09 -0.55 8.60 8.22 2o3oG1 GLU 180 HA 0.00 0.24 0.59 -0.75 4.29 4.36 2o3oG1 GLU 180 HB2 0.02 0.01 -0.14 -0.04 2.09 1.93 2o3oG1 GLU 180 HB3 -0.00 0.02 -0.56 -0.04 1.99 1.41 2o3oG1 GLU 180 HG2 0.00 0.13 -0.36 -0.04 2.34 2.06 2o3oG1 GLU 180 HG3 0.01 -0.22 -0.34 -0.04 2.34 1.76 2o3oG1 VAL 181 H -0.01 0.73 0.10 -0.55 8.24 8.51 2o3oG1 VAL 181 HA 0.10 0.12 0.40 -0.75 4.13 3.99 2o3oG1 VAL 181 HB -0.05 -0.01 0.19 -0.04 2.12 2.21 2o3oG1 VAL 181 HG13 0.29 0.00 -0.17 -0.04 0.97 1.06 2o3oG1 VAL 181 HG23 0.04 0.00 -0.09 -0.04 0.95 0.87 2o3oG1 VAL 182 H 0.14 0.55 0.53 -0.55 8.24 8.90 2o3oG1 VAL 182 HA 0.14 0.07 0.61 -0.75 4.13 4.19 2o3oG1 VAL 182 HB 0.10 0.02 0.08 -0.04 2.12 2.28 2o3oG1 VAL 182 HG13 0.04 0.00 -0.06 -0.04 0.97 0.92 2o3oG1 VAL 182 HG23 0.06 -0.01 0.06 -0.04 0.95 1.02 2o3oG1 SER 183 H 0.22 0.32 0.30 -0.55 8.46 8.75 2o3oG1 SER 183 HA -0.01 0.11 0.68 -0.75 4.49 4.52 2o3oG1 SER 183 HB2 -0.13 0.12 0.18 -0.04 3.95 4.08 2o3oG1 SER 183 HB3 -0.02 0.02 -0.27 -0.04 3.93 3.63 2o3oG1 TYR 184 H -0.33 0.32 0.25 -0.55 8.29 7.97 2o3oG1 TYR 184 HA 0.11 0.30 0.95 -0.75 4.56 5.16 2o3oG1 TYR 184 HB2 -0.03 -0.01 -0.03 -0.04 3.06 2.96 2o3oG1 TYR 184 HB3 0.07 -0.04 -0.20 -0.04 2.98 2.77 2o3oG1 TYR 184 HD2 -0.23 0.01 -0.38 -0.04 7.15 6.51 2o3oG1 TYR 184 HE2 -0.35 0.02 -0.18 -0.04 6.85 6.31 2o3oG1 ASP 185 H 0.19 0.39 0.34 -0.55 8.40 8.77 2o3oG1 ASP 185 HA 0.01 0.35 1.01 -0.75 4.63 5.25 2o3oG1 ASP 185 HB2 0.13 -0.05 0.15 -0.04 2.71 2.90 2o3oG1 ASP 185 HB3 0.09 0.03 -0.02 -0.04 2.70 2.76 2o3oG1 GLN 186 H 0.01 0.66 0.31 -0.55 8.47 8.91 2o3oG1 GLN 186 HA 0.08 0.30 1.11 -0.75 4.36 5.10 2o3oG1 GLN 186 HB2 0.15 -0.04 -0.26 -0.04 2.15 1.96 2o3oG1 GLN 186 HB3 -0.01 -0.10 0.00 -0.04 2.02 1.87 2o3oG1 GLN 186 HG2 0.24 0.00 -0.33 -0.04 2.40 2.27 2o3oG1 GLN 186 HG3 -0.05 0.07 -0.01 -0.04 2.39 2.37 2o3oG1 GLN 186 HE21 0.10 0.38 -0.07 -0.04 6.97 7.33 2o3oG1 GLN 186 HE22 0.13 0.01 -0.17 -0.04 7.69 7.62 2o3oG1 THR 187 H 0.19 0.65 0.36 -0.55 8.28 8.94 2o3oG1 THR 187 HA 0.27 0.27 0.78 -0.75 4.39 4.96 2o3oG1 THR 187 HB 0.13 0.15 -0.04 -0.04 4.32 4.52 2o3oG1 THR 187 HG23 0.11 0.03 -0.08 -0.04 1.22 1.24 2o3oG1 THR 188 H 0.19 0.30 0.22 -0.55 8.28 8.44 2o3oG1 THR 188 HA 0.18 0.09 0.86 -0.75 4.39 4.77 2o3oG1 THR 188 HB 0.07 -0.10 -0.05 -0.04 4.32 4.20 2o3oG1 THR 188 HG23 0.11 0.06 -0.02 -0.04 1.22 1.33 2o3oG1 LEU 189 H 0.06 0.14 0.21 -0.55 8.37 8.23 2o3oG1 LEU 189 HA -0.10 0.34 0.88 -0.75 4.35 4.72 2o3oG1 LEU 189 HB2 0.13 -0.01 0.06 -0.04 1.64 1.77 2o3oG1 LEU 189 HB3 -0.45 -0.07 -0.04 -0.04 1.64 1.04 2o3oG1 LEU 189 HG -0.02 0.13 -0.15 -0.04 1.64 1.56 2o3oG1 LEU 189 HD13 -0.08 -0.01 -0.18 -0.04 0.93 0.62 2o3oG1 LEU 189 HD23 -0.14 -0.01 -0.21 -0.04 0.89 0.49 2o3oG1 GLU 190 H -0.20 0.52 0.38 -0.55 8.60 8.75 2o3oG1 GLU 190 HA 0.22 0.12 0.65 -0.75 4.29 4.51 2o3oG1 GLU 190 HB2 0.01 -0.10 0.10 -0.04 2.09 2.06 2o3oG1 GLU 190 HB3 -0.00 0.11 -0.16 -0.04 1.99 1.89 2o3oG1 GLU 190 HG2 -0.09 0.14 -0.15 -0.04 2.34 2.20 2o3oG1 GLU 190 HG3 -0.07 -0.04 -0.23 -0.04 2.34 1.96 2o3oG1 THR 191 H 0.11 0.14 0.13 -0.55 8.28 8.11 2o3oG1 THR 191 HA 0.05 0.02 0.36 -0.75 4.39 4.07 2o3oG1 THR 191 HB -0.08 0.10 0.26 -0.04 4.32 4.55 2o3oG1 THR 191 HG23 -0.02 0.00 0.00 -0.04 1.22 1.16 2o3oG1 PHE 192 H 0.36 0.07 0.02 -0.55 8.34 8.23 2o3oG1 PHE 192 HA -0.07 0.35 0.63 -0.75 4.62 4.78 2o3oG1 PHE 192 HB2 0.11 -0.06 0.15 -0.04 3.15 3.30 2o3oG1 PHE 192 HB3 0.05 0.01 -0.04 -0.04 3.06 3.04 2o3oG1 PHE 192 HD2 -0.19 -0.10 -0.15 -0.04 7.28 6.79 2o3oG1 PHE 192 HE2 -0.10 0.12 -0.27 -0.04 7.38 7.08 2o3oG1 PHE 192 HZ -0.07 0.06 -0.12 -0.04 7.32 7.15 2o3oG1 LYS 193 H -0.06 0.54 0.33 -0.55 8.42 8.68 2o3oG1 LYS 193 HA -0.00 0.05 0.66 -0.75 4.32 4.27 2o3oG1 LYS 193 HB2 -0.05 0.09 0.16 -0.04 1.87 2.03 2o3oG1 LYS 193 HB3 -0.03 -0.06 -0.00 -0.04 1.79 1.65 2o3oG1 LYS 193 HG2 -0.02 0.03 -0.03 -0.04 1.46 1.40 2o3oG1 LYS 193 HG3 -0.01 -0.02 -0.04 -0.04 1.46 1.34 2o3oG1 LYS 193 HD2 -0.03 -0.00 -0.01 -0.04 1.69 1.61 2o3oG1 LYS 193 HD3 -0.02 -0.01 -0.03 -0.04 1.68 1.59 2o3oG1 LYS 193 HE2 -0.02 -0.01 -0.02 -0.04 2.99 2.90 2o3oG1 LYS 193 HE3 -0.02 -0.02 -0.03 -0.04 2.99 2.88 2o3oG1 GLN 194 H -0.04 0.19 0.13 -0.55 8.47 8.20 2o3oG1 GLN 194 HA -0.04 0.12 0.74 -0.75 4.36 4.43 2o3oG1 GLN 194 HB2 -0.27 -0.01 0.17 -0.04 2.15 1.99 2o3oG1 GLN 194 HB3 -0.46 -0.00 -0.04 -0.04 2.02 1.47 2o3oG1 GLN 194 HG2 -0.07 0.01 -0.12 -0.04 2.40 2.19 2o3oG1 GLN 194 HG3 -0.03 0.06 -0.02 -0.04 2.39 2.35 2o3oG1 GLN 194 HE21 -0.56 -0.01 -0.03 -0.04 6.97 6.33 2o3oG1 GLN 194 HE22 -0.68 0.00 -0.01 -0.04 7.69 6.97 2o3oG1 ILE 195 H 0.02 0.51 0.29 -0.55 8.25 8.52 2o3oG1 ILE 195 HA 0.02 0.09 0.36 -0.75 4.18 3.90 2o3oG1 ILE 195 HB 0.02 -0.02 -0.01 -0.04 1.89 1.84 2o3oG1 ILE 195 HG12 0.01 0.14 0.03 -0.04 1.49 1.62 2o3oG1 ILE 195 HG13 0.03 -0.07 0.08 -0.04 1.21 1.21 2o3oG1 ILE 195 HG23 -0.01 0.02 -0.07 -0.04 0.93 0.82 2o3oG1 ILE 195 HD13 0.00 -0.01 -0.05 -0.04 0.88 0.78 2o3oG1 GLN 196 H 0.09 0.24 0.24 -0.55 8.47 8.50 2o3oG1 GLN 196 HA 0.08 0.20 0.95 -0.75 4.36 4.83 2o3oG1 GLN 196 HB2 0.04 0.00 -0.03 -0.04 2.15 2.12 2o3oG1 GLN 196 HB3 0.05 -0.06 0.08 -0.04 2.02 2.05 2o3oG1 GLN 196 HG2 0.03 0.10 -0.15 -0.04 2.40 2.33 2o3oG1 GLN 196 HG3 0.03 0.01 0.08 -0.04 2.39 2.47 2o3oG1 GLN 196 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.92 2o3oG1 GLN 196 HE22 0.01 0.04 0.01 -0.04 7.69 7.71 2o3oG1 LYS 197 H 0.07 0.20 0.18 -0.55 8.42 8.32 2o3oG1 LYS 197 HA -0.18 0.16 0.82 -0.75 4.32 4.36 2o3oG1 LYS 197 HB2 0.13 0.03 -0.04 -0.04 1.87 1.95 2o3oG1 LYS 197 HB3 0.02 -0.02 0.14 -0.04 1.79 1.89 2o3oG1 LYS 197 HG2 -0.33 0.04 -0.07 -0.04 1.46 1.05 2o3oG1 LYS 197 HG3 -0.19 -0.01 -0.06 -0.04 1.46 1.16 2o3oG1 LYS 197 HD2 -0.06 -0.02 -0.27 -0.04 1.69 1.30 2o3oG1 LYS 197 HD3 -0.07 -0.02 -0.11 -0.04 1.68 1.43 2o3oG1 LYS 197 HE2 0.02 0.00 0.01 -0.04 2.99 2.98 2o3oG1 LYS 197 HE3 -0.00 -0.02 -0.03 -0.04 2.99 2.90 2o3oG1 GLU 198 H -0.16 0.99 0.44 -0.55 8.60 9.32 2o3oG1 GLU 198 HA -0.05 0.12 0.88 -0.75 4.29 4.49 2o3oG1 GLU 198 HB2 -0.03 0.05 -0.07 -0.04 2.09 2.00 2o3oG1 GLU 198 HB3 -0.02 -0.00 0.07 -0.04 1.99 2.00 2o3oG1 GLU 198 HG2 -0.01 0.09 -0.06 -0.04 2.34 2.31 2o3oG1 GLU 198 HG3 -0.00 -0.08 -0.57 -0.04 2.34 1.65 2o3oG1 SER 199 H -0.03 0.11 0.18 -0.55 8.46 8.17 2o3oG1 SER 199 HA -0.04 0.09 0.76 -0.75 4.49 4.55 2o3oG1 SER 199 HB2 -0.03 -0.05 0.12 -0.04 3.95 3.94 2o3oG1 SER 199 HB3 -0.02 -0.02 0.05 -0.04 3.93 3.91 2o3oG1 LEU 200 H -0.00 0.60 0.35 -0.55 8.37 8.78 2o3oG1 LEU 200 HA 0.04 0.20 0.76 -0.75 4.35 4.60 2o3oG1 LEU 200 HB2 0.05 -0.02 0.00 -0.04 1.64 1.63 2o3oG1 LEU 200 HB3 0.13 0.16 -0.02 -0.04 1.64 1.87 2o3oG1 LEU 200 HG -0.03 -0.04 -0.42 -0.04 1.64 1.10 2o3oG1 LEU 200 HD13 -0.02 -0.02 -0.14 -0.04 0.93 0.71 2o3oG1 LEU 200 HD23 -0.01 -0.03 -0.40 -0.04 0.89 0.40 2o3oG1 ILE 201 H 0.13 0.70 0.23 -0.55 8.25 8.77 2o3oG1 ILE 201 HA 0.08 -0.01 0.57 -0.75 4.18 4.06 2o3oG1 ILE 201 HB 0.08 -0.09 0.03 -0.04 1.89 1.88 2o3oG1 ILE 201 HG12 0.38 -0.06 0.01 -0.04 1.49 1.78 2o3oG1 ILE 201 HG13 0.27 0.17 -0.41 -0.04 1.21 1.20 2o3oG1 ILE 201 HG23 0.08 0.10 -0.13 -0.04 0.93 0.93 2o3oG1 ILE 201 HD13 0.18 0.00 -0.15 -0.04 0.88 0.87 2o3oG1 THR 202 H 0.05 0.06 0.07 -0.55 8.28 7.91 2o3oG1 THR 202 HA 0.13 0.12 0.35 -0.75 4.39 4.23 2o3oG1 THR 202 HB -0.08 0.06 -0.10 -0.04 4.32 4.16 2o3oG1 THR 202 HG23 0.01 0.07 -0.30 -0.04 1.22 0.96 2o3oG1 GLU 203 H -0.34 0.16 0.02 -0.55 8.60 7.89 2o3oG1 GLU 203 HA -1.50 0.08 0.29 -0.75 4.29 2.40 2o3oG1 GLU 203 HB2 -0.35 0.16 0.15 -0.04 2.09 2.01 2o3oG1 GLU 203 HB3 -0.49 -0.00 0.12 -0.04 1.99 1.58 2o3oG1 GLU 203 HG2 -1.83 0.06 0.04 -0.04 2.34 0.57 2o3oG1 GLU 203 HG3 -0.43 -0.01 0.11 -0.04 2.34 1.97 2o3oG1 ASP 205 HA -0.05 -0.04 0.25 -0.75 4.63 4.04 2o3oG1 ASP 205 HB2 -0.02 0.10 0.00 -0.04 2.71 2.76 2o3oG1 ASP 205 HB3 0.01 0.06 -0.10 -0.04 2.70 2.63 2o3oG1 ALA 206 H -0.15 0.57 -0.78 -0.55 8.40 7.50 2o3oG1 ALA 206 HA 0.04 0.03 0.32 -0.75 4.34 3.98 2o3oG1 ALA 206 HB3 -0.06 0.06 0.03 -0.04 1.41 1.39 2o3oG1 VAL 207 H -0.11 0.44 0.11 -0.55 8.24 8.13 2o3oG1 VAL 207 HA -0.02 0.02 0.27 -0.75 4.13 3.64 2o3oG1 VAL 207 HB -0.06 0.02 -0.06 -0.04 2.12 1.98 2o3oG1 VAL 207 HG13 0.05 0.00 -0.19 -0.04 0.97 0.79 2o3oG1 VAL 207 HG23 -0.04 0.04 -0.02 -0.04 0.95 0.89 2o3oG1 GLU 208 H -0.05 0.16 -0.35 -0.55 8.60 7.82 2o3oG1 GLU 208 HA 0.05 0.06 0.37 -0.75 4.29 4.02 2o3oG1 GLU 208 HB2 -0.02 0.15 0.05 -0.04 2.09 2.23 2o3oG1 GLU 208 HB3 0.01 -0.03 -0.03 -0.04 1.99 1.90 2o3oG1 GLU 208 HG2 -0.07 0.03 -0.07 -0.04 2.34 2.20 2o3oG1 GLU 208 HG3 -0.11 -0.03 -0.07 -0.04 2.34 2.10 2o3oG1 LEU 209 H 0.02 0.51 -0.35 -0.55 8.37 7.99 2o3oG1 LEU 209 HA 0.10 -0.02 0.37 -0.75 4.35 4.05 2o3oG1 LEU 209 HB2 0.04 0.14 0.10 -0.04 1.64 1.88 2o3oG1 LEU 209 HB3 0.05 0.07 0.08 -0.04 1.64 1.79 2o3oG1 LEU 209 HG 0.12 -0.04 -0.01 -0.04 1.64 1.66 2o3oG1 LEU 209 HD13 0.03 -0.02 -0.03 -0.04 0.93 0.87 2o3oG1 LEU 209 HD23 0.07 -0.01 -0.04 -0.04 0.89 0.86 2o3oG1 LEU 210 H 0.00 0.48 -0.10 -0.55 8.37 8.20 2o3oG1 LEU 210 HA -0.11 0.03 0.35 -0.75 4.35 3.87 2o3oG1 LEU 210 HB2 -0.10 0.12 0.09 -0.04 1.64 1.71 2o3oG1 LEU 210 HB3 -0.31 -0.07 -0.13 -0.04 1.64 1.08 2o3oG1 LEU 210 HG -0.10 0.06 -0.07 -0.04 1.64 1.49 2o3oG1 LEU 210 HD13 -0.18 -0.02 -0.15 -0.04 0.93 0.55 2o3oG1 LEU 210 HD23 -0.59 -0.01 -0.09 -0.04 0.89 0.15 2o3oG1 TYR 211 H 0.13 0.51 -0.19 -0.55 8.29 8.19 2o3oG1 TYR 211 HA -0.05 -0.12 0.28 -0.75 4.56 3.91 2o3oG1 TYR 211 HB2 0.00 0.02 0.03 -0.04 3.06 3.07 2o3oG1 TYR 211 HB3 0.03 0.12 0.08 -0.04 2.98 3.16 2o3oG1 TYR 211 HD2 0.01 -0.02 -0.06 -0.04 7.15 7.04 2o3oG1 TYR 211 HE2 0.00 -0.00 -0.03 -0.04 6.85 6.78 2o3oG1 TYR 212 H 0.21 0.49 -0.20 -0.55 8.29 8.24 2o3oG1 TYR 212 HA -0.16 -0.01 0.40 -0.75 4.56 4.03 2o3oG1 TYR 212 HB2 0.01 -0.02 0.11 -0.04 3.06 3.12 2o3oG1 TYR 212 HB3 -0.02 0.19 0.15 -0.04 2.98 3.26 2o3oG1 TYR 212 HD2 -0.03 0.03 0.01 -0.04 7.15 7.12 2o3oG1 TYR 212 HE2 -0.02 -0.03 -0.03 -0.04 6.85 6.73 2o3oG1 GLN 213 H -0.06 0.45 -0.36 -0.55 8.47 7.95 2o3oG1 GLN 213 HA -0.37 0.07 0.59 -0.75 4.36 3.89 2o3oG1 GLN 213 HB2 -0.10 0.03 0.10 -0.04 2.15 2.14 2o3oG1 GLN 213 HB3 -0.11 -0.07 0.16 -0.04 2.02 1.96 2o3oG1 GLN 213 HG2 -0.07 -0.08 -0.08 -0.04 2.40 2.14 2o3oG1 GLN 213 HG3 0.02 0.15 0.02 -0.04 2.39 2.54 2o3oG1 GLN 213 HE21 0.05 -0.04 -0.02 -0.04 6.97 6.92 2o3oG1 GLN 213 HE22 0.07 0.02 -0.04 -0.04 7.69 7.70 2o3oG1 ASN 214 H -0.27 0.61 -0.50 -0.55 8.53 7.83 2o3oG1 ASN 214 HA -0.24 0.07 0.27 -0.75 4.76 4.11 2o3oG1 ASN 214 HB2 -0.18 -0.02 -0.34 -0.04 2.88 2.30 2o3oG1 ASN 214 HB3 -0.11 0.06 0.05 -0.04 2.79 2.75 2o3oG1 ASN 214 HD21 -0.06 -0.06 0.01 -0.04 7.03 6.88 2o3oG1 ASN 214 HD22 -0.07 0.00 0.04 -0.04 7.74 7.67 2o3oG1 GLN 215 H -0.13 0.32 -0.24 -0.55 8.47 7.87 2o3oG1 GLN 215 HA -0.03 0.14 0.44 -0.75 4.36 4.16 2o3oG1 GLN 215 HB2 -0.39 -0.06 -0.16 -0.04 2.15 1.50 2o3oG1 GLN 215 HB3 -0.32 -0.06 -0.04 -0.04 2.02 1.56 2o3oG1 GLN 215 HG2 -0.13 0.14 -0.28 -0.04 2.40 2.09 2o3oG1 GLN 215 HG3 -0.22 -0.08 -0.05 -0.04 2.39 1.99 2o3oG1 GLN 215 HE21 0.09 -0.05 -0.01 -0.04 6.97 6.96 2o3oG1 GLN 215 HE22 0.03 -0.03 -0.02 -0.04 7.69 7.63 2o3oG1 LEU 216 H -0.02 0.09 -0.21 -0.55 8.37 7.69 2o3oG1 LEU 216 HA -0.00 0.10 0.70 -0.75 4.35 4.40 2o3oG1 LEU 216 HB2 0.22 -0.03 -0.00 -0.04 1.64 1.79 2o3oG1 LEU 216 HB3 0.07 0.10 -0.17 -0.04 1.64 1.59 2o3oG1 LEU 216 HG -0.08 -0.10 -0.29 -0.04 1.64 1.14 2o3oG1 LEU 216 HD13 0.04 -0.00 -0.13 -0.04 0.93 0.80 2o3oG1 LEU 216 HD23 0.03 0.02 -0.18 -0.04 0.89 0.71 2o3oG1 LYS 217 H -0.11 0.12 0.04 -0.55 8.42 7.91 2o3oG1 LYS 217 HA -0.02 0.05 0.45 -0.75 4.32 4.05 2o3oG1 LYS 217 HB2 -0.26 -0.04 0.01 -0.04 1.87 1.54 2o3oG1 LYS 217 HB3 -0.06 0.03 0.03 -0.04 1.79 1.75 2o3oG1 LYS 217 HG2 -0.13 0.04 -0.04 -0.04 1.46 1.28 2o3oG1 LYS 217 HG3 -0.39 0.04 -0.00 -0.04 1.46 1.06 2o3oG1 LYS 217 HD2 -0.56 -0.06 -0.02 -0.04 1.69 1.01 2o3oG1 LYS 217 HD3 -0.09 -0.01 0.00 -0.04 1.68 1.54 2o3oG1 LYS 217 HE2 -0.03 -0.03 -0.02 -0.04 2.99 2.87 2o3oG1 LYS 217 HE3 -0.08 0.01 -0.02 -0.04 2.99 2.87 2o3oG1 GLU 218 H 0.06 0.03 0.13 -0.55 8.60 8.27 2o3oG1 GLU 218 HA -0.01 0.14 0.42 -0.75 4.29 4.09 2o3oG1 GLU 218 HB2 0.18 -0.08 0.07 -0.04 2.09 2.22 2o3oG1 GLU 218 HB3 -0.05 0.09 0.11 -0.04 1.99 2.09 2o3oG1 GLU 218 HG2 0.05 0.05 0.11 -0.04 2.34 2.51 2o3oG1 GLU 218 HG3 0.07 -0.06 0.13 -0.04 2.34 2.43 2o3oG1 TYR 219 H -0.19 0.62 0.25 -0.55 8.29 8.42 2o3oG1 TYR 219 HA 0.03 0.26 0.51 -0.75 4.56 4.60 2o3oG1 TYR 219 HB2 0.03 0.10 -0.08 -0.04 3.06 3.08 2o3oG1 TYR 219 HB3 0.01 -0.08 0.25 -0.04 2.98 3.13 2o3oG1 TYR 219 HD2 -0.02 -0.01 -0.09 -0.04 7.15 6.99 2o3oG1 TYR 219 HE2 -0.16 -0.04 -0.01 -0.04 6.85 6.60 2o3oG1 SER 220 H 0.03 0.13 0.05 -0.55 8.46 8.12 2o3oG1 SER 220 HA 0.13 0.26 1.02 -0.75 4.49 5.15 2o3oG1 SER 220 HB2 0.11 -0.13 -0.01 -0.04 3.95 3.88 2o3oG1 SER 220 HB3 0.13 -0.04 -0.14 -0.04 3.93 3.84 2o3oG1 THR 221 H 0.08 0.42 0.36 -0.55 8.28 8.59 2o3oG1 THR 221 HA -0.01 0.17 1.04 -0.75 4.39 4.84 2o3oG1 THR 221 HB 0.03 -0.04 0.11 -0.04 4.32 4.37 2o3oG1 THR 221 HG23 0.01 -0.01 -0.24 -0.04 1.22 0.93 2o3oG1 VAL 222 H 0.01 0.44 0.21 -0.55 8.24 8.35 2o3oG1 VAL 222 HA 0.05 0.18 0.99 -0.75 4.13 4.60 2o3oG1 VAL 222 HB 0.05 -0.10 0.27 -0.04 2.12 2.29 2o3oG1 VAL 222 HG13 0.04 0.01 -0.16 -0.04 0.97 0.82 2o3oG1 VAL 222 HG23 0.05 0.01 -0.05 -0.04 0.95 0.91 2o3oG1 LYS 223 H 0.04 0.60 0.40 -0.55 8.42 8.90 2o3oG1 LYS 223 HA 0.03 0.05 0.50 -0.75 4.32 4.15 2o3oG1 LYS 223 HB2 0.03 0.01 0.15 -0.04 1.87 2.02 2o3oG1 LYS 223 HB3 0.04 -0.04 -0.02 -0.04 1.79 1.74 2o3oG1 LYS 223 HG2 0.02 0.02 -0.07 -0.04 1.46 1.39 2o3oG1 LYS 223 HG3 0.00 -0.00 -0.06 -0.04 1.46 1.36 2o3oG1 LYS 223 HD2 0.02 0.00 0.00 -0.04 1.69 1.68 2o3oG1 LYS 223 HD3 0.01 0.01 -0.06 -0.04 1.68 1.60 2o3oG1 LYS 223 HE2 0.01 0.01 -0.04 -0.04 2.99 2.93 2o3oG1 LYS 223 HE3 0.03 -0.02 -0.02 -0.04 2.99 2.93 2o3oG1 SER 224 H 0.07 0.23 0.29 -0.55 8.46 8.51 2o3oG1 SER 224 HA 0.09 0.25 0.88 -0.75 4.49 4.95 2o3oG1 SER 224 HB2 0.16 -0.06 0.10 -0.04 3.95 4.11 2o3oG1 SER 224 HB3 0.11 0.07 -0.12 -0.04 3.93 3.95 2o3oG1 CYS 225 H 0.15 0.16 0.03 -0.55 8.50 8.29 2o3oG1 CYS 225 HA 0.19 0.34 0.79 -0.75 4.58 5.14 2o3oG1 CYS 225 HB2 -0.01 0.04 -0.23 -0.04 2.97 2.73 2o3oG1 CYS 225 HB3 -0.04 -0.04 0.17 -0.04 2.97 3.02 2o3oG1 LYS 226 H 0.32 0.41 0.25 -0.55 8.42 8.85 2o3oG1 LYS 226 HA 0.42 0.13 0.78 -0.75 4.32 4.90 2o3oG1 LYS 226 HB2 0.41 0.00 0.11 -0.04 1.87 2.35 2o3oG1 LYS 226 HB3 0.43 0.05 0.13 -0.04 1.79 2.37 2o3oG1 LYS 226 HG2 0.27 -0.03 -0.04 -0.04 1.46 1.62 2o3oG1 LYS 226 HG3 0.29 -0.02 0.02 -0.04 1.46 1.72 2o3oG1 LYS 226 HD2 0.26 -0.00 0.02 -0.04 1.69 1.92 2o3oG1 LYS 226 HD3 0.39 0.03 0.04 -0.04 1.68 2.09 2o3oG1 LYS 226 HE2 0.27 0.03 0.05 -0.04 2.99 3.30 2o3oG1 LYS 226 HE3 0.30 -0.00 0.10 -0.04 2.99 3.34 2o3oG1 PHE 227 H 0.44 0.15 0.28 -0.55 8.34 8.66 2o3oG1 PHE 227 HA -0.18 0.29 0.95 -0.75 4.62 4.92 2o3oG1 PHE 227 HB2 -0.31 0.00 0.06 -0.04 3.15 2.87 2o3oG1 PHE 227 HB3 -0.19 -0.04 0.18 -0.04 3.06 2.96 2o3oG1 PHE 227 HD2 -1.46 -0.02 -0.09 -0.04 7.28 5.67 2o3oG1 PHE 227 HE2 -0.45 -0.03 -0.06 -0.04 7.38 6.80 2o3oG1 PHE 227 HZ -0.38 -0.05 0.01 -0.04 7.32 6.85 2o3oG1 GLY 228 H -0.95 0.57 0.39 -0.55 8.43 7.90 2o3oG1 GLY 228 HA2 -0.11 0.04 0.45 -0.51 4.01 3.88 2o3oG1 GLY 228 HA3 0.10 0.06 0.46 -0.51 4.01 4.13 2o3oG1 TYR 229 H 0.09 0.69 0.41 -0.55 8.29 8.93 2o3oG1 TYR 229 HA -0.19 0.24 0.99 -0.75 4.56 4.85 2o3oG1 TYR 229 HB2 -0.09 0.04 0.02 -0.04 3.06 2.99 2o3oG1 TYR 229 HB3 -0.12 -0.03 -0.07 -0.04 2.98 2.72 2o3oG1 TYR 229 HD2 -0.10 -0.02 -0.30 -0.04 7.15 6.70 2o3oG1 TYR 229 HE2 0.11 0.06 -0.11 -0.04 6.85 6.86 2o3oG1 VAL 230 H -0.03 0.43 0.31 -0.55 8.24 8.41 2o3oG1 VAL 230 HA -0.04 0.33 0.69 -0.75 4.13 4.36 2o3oG1 VAL 230 HB -0.04 0.07 -0.01 -0.04 2.12 2.10 2o3oG1 VAL 230 HG13 -0.02 -0.00 -0.26 -0.04 0.97 0.65 2o3oG1 VAL 230 HG23 -0.05 0.01 -0.26 -0.04 0.95 0.61 2o3oG1 ALA 231 H -0.08 0.26 0.06 -0.55 8.40 8.10 2o3oG1 ALA 231 HA -0.12 0.06 0.50 -0.75 4.34 4.02 2o3oG1 ALA 231 HB3 -0.08 0.02 0.01 -0.04 1.41 1.32 2o3oG1 GLN 232 H -0.20 0.59 0.47 -0.55 8.47 8.79 2o3oG1 GLN 232 HA -0.03 0.01 0.37 -0.75 4.36 3.95 2o3oG1 GLN 232 HB2 -0.24 0.09 0.13 -0.04 2.15 2.09 2o3oG1 GLN 232 HB3 -0.50 -0.03 0.03 -0.04 2.02 1.47 2o3oG1 GLN 232 HG2 0.10 -0.00 0.01 -0.04 2.40 2.47 2o3oG1 GLN 232 HG3 -0.01 -0.03 0.01 -0.04 2.39 2.32 2o3oG1 GLN 232 HE21 0.08 -0.03 -0.04 -0.04 6.97 6.95 2o3oG1 GLN 232 HE22 0.08 0.01 -0.03 -0.04 7.69 7.71 2o3oG1 TYR 233 H -0.52 0.21 0.11 -0.55 8.29 7.54 2o3oG1 TYR 233 HA -0.02 0.15 0.39 -0.75 4.56 4.33 2o3oG1 TYR 233 HB2 -0.01 0.14 0.11 -0.04 3.06 3.25 2o3oG1 TYR 233 HB3 -0.01 0.05 0.09 -0.04 2.98 3.07 2o3oG1 TYR 233 HD2 -0.02 0.15 -0.35 -0.04 7.15 6.89 2o3oG1 TYR 233 HE2 -0.01 -0.01 -0.10 -0.04 6.85 6.68 2o3oG1 PRO 234 HA 0.01 0.17 0.87 -0.51 4.44 4.98 2o3oG1 PRO 234 HB2 0.03 0.05 -0.02 -0.04 2.28 2.30 2o3oG1 PRO 234 HB3 0.02 0.07 0.07 -0.04 2.02 2.13 2o3oG1 PRO 234 HG2 0.05 -0.01 0.07 -0.04 2.03 2.10 2o3oG1 PRO 234 HG3 0.04 0.03 0.05 -0.04 2.03 2.10 2o3oG1 PRO 234 HD2 0.13 0.07 0.23 -0.04 3.68 4.07 2o3oG1 PRO 234 HD3 0.08 0.14 0.11 -0.04 3.65 3.93 2o3oG1 LEU 235 H 0.01 0.71 0.06 -0.55 8.37 8.60 2o3oG1 LEU 235 HA 0.06 0.02 0.63 -0.75 4.35 4.30 2o3oG1 LEU 235 HB2 0.10 -0.03 -0.32 -0.04 1.64 1.35 2o3oG1 LEU 235 HB3 0.02 -0.05 0.03 -0.04 1.64 1.60 2o3oG1 LEU 235 HG 0.11 0.05 -0.00 -0.04 1.64 1.76 2o3oG1 LEU 235 HD13 0.11 -0.02 -0.09 -0.04 0.93 0.90 2o3oG1 LEU 235 HD23 0.02 -0.03 -0.11 -0.04 0.89 0.73 2o3oG1 THR 236 H 0.02 0.11 -0.00 -0.55 8.28 7.85 2o3oG1 THR 236 HA 0.00 0.03 0.29 -0.75 4.39 3.96 2o3oG1 THR 236 HB -0.01 0.02 0.32 -0.04 4.32 4.61 2o3oG1 THR 236 HG23 -0.01 0.00 0.08 -0.04 1.22 1.26 2o3oG1 SER 237 H -0.02 0.03 0.23 -0.55 8.46 8.15 2o3oG1 SER 237 HA -0.02 0.12 0.68 -0.75 4.49 4.52 2o3oG1 SER 237 HB2 -0.03 0.02 0.17 -0.04 3.95 4.07 2o3oG1 SER 237 HB3 -0.03 -0.07 0.27 -0.04 3.93 4.06 2o3oG1 THR 238 H -0.04 -0.02 0.20 -0.55 8.28 7.87 2o3oG1 THR 238 HA -0.09 -0.03 0.47 -0.75 4.39 3.99 2o3oG1 THR 238 HB -0.04 0.09 0.17 -0.04 4.32 4.50 2o3oG1 THR 238 HG23 -0.09 0.08 0.03 -0.04 1.22 1.20 2o3oG1 GLN 239 H -0.14 0.25 0.24 -0.55 8.47 8.28 2o3oG1 GLN 239 HA -0.10 0.18 0.89 -0.75 4.36 4.57 2o3oG1 GLN 239 HB2 -0.15 -0.07 0.00 -0.04 2.15 1.89 2o3oG1 GLN 239 HB3 -0.13 -0.02 0.04 -0.04 2.02 1.87 2o3oG1 GLN 239 HG2 -0.07 0.11 -0.18 -0.04 2.40 2.21 2o3oG1 GLN 239 HG3 -0.07 0.02 -0.07 -0.04 2.39 2.22 2o3oG1 GLN 239 HE21 -0.04 -0.03 -0.22 -0.04 6.97 6.64 2o3oG1 GLN 239 HE22 -0.08 -0.08 -0.06 -0.04 7.69 7.43 2o3oG1 VAL 240 H -0.24 0.37 0.21 -0.55 8.24 8.03 2o3oG1 VAL 240 HA -0.19 0.19 1.15 -0.75 4.13 4.52 2o3oG1 VAL 240 HB -0.71 -0.08 0.14 -0.04 2.12 1.44 2o3oG1 VAL 240 HG13 -0.17 0.01 -0.12 -0.04 0.97 0.65 2o3oG1 VAL 240 HG23 -0.13 0.01 -0.20 -0.04 0.95 0.59 2o3oG1 LEU 241 H -0.14 0.96 0.41 -0.55 8.37 9.05 2o3oG1 LEU 241 HA -0.09 0.25 0.70 -0.75 4.35 4.45 2o3oG1 LEU 241 HB2 -0.09 -0.06 0.05 -0.04 1.64 1.50 2o3oG1 LEU 241 HB3 0.06 -0.02 -0.07 -0.04 1.64 1.57 2o3oG1 LEU 241 HG -0.18 -0.01 -0.25 -0.04 1.64 1.15 2o3oG1 LEU 241 HD13 -0.13 -0.00 -0.22 -0.04 0.93 0.53 2o3oG1 LEU 241 HD23 -0.11 -0.01 -0.42 -0.04 0.89 0.32 2o3oG1 ALA 242 H -0.03 0.51 0.41 -0.55 8.40 8.74 2o3oG1 ALA 242 HA -0.03 0.17 1.03 -0.75 4.34 4.76 2o3oG1 ALA 242 HB3 -0.06 0.00 0.03 -0.04 1.41 1.35 2o3oG1 PRO 243 HA -0.98 0.29 0.66 -0.51 4.44 3.90 2o3oG1 PRO 243 HB2 -0.34 0.02 -0.02 -0.04 2.28 1.91 2o3oG1 PRO 243 HB3 -0.42 0.05 0.12 -0.04 2.02 1.73 2o3oG1 PRO 243 HG2 -0.13 -0.13 0.04 -0.04 2.03 1.77 2o3oG1 PRO 243 HG3 -0.06 0.06 -0.07 -0.04 2.03 1.92 2o3oG1 PRO 243 HD2 -0.07 0.01 0.23 -0.04 3.68 3.81 2o3oG1 PRO 243 HD3 -0.04 0.33 0.26 -0.04 3.65 4.17 2o3oG1 VAL 244 H -0.86 0.67 0.41 -0.55 8.24 7.92 2o3oG1 VAL 244 HA -0.24 0.12 1.05 -0.75 4.13 4.30 2o3oG1 VAL 244 HB -0.10 0.04 -0.21 -0.04 2.12 1.82 2o3oG1 VAL 244 HG13 -0.12 0.03 -0.34 -0.04 0.97 0.50 2o3oG1 VAL 244 HG23 -0.15 0.01 -0.43 -0.04 0.95 0.35 2o3oG1 TRP 245 H 0.09 0.77 0.25 -0.55 7.97 8.53 2o3oG1 TRP 245 HA 0.07 0.24 0.95 -0.75 4.62 5.11 2o3oG1 TRP 245 HB2 0.05 -0.04 0.07 -0.04 3.23 3.27 2o3oG1 TRP 245 HB3 0.08 0.01 -0.11 -0.04 3.23 3.17 2o3oG1 TRP 245 HD1 0.05 0.02 -0.23 -0.04 7.22 7.02 2o3oG1 TRP 245 HE1 0.06 0.35 -0.27 -0.04 10.20 10.29 2o3oG1 TRP 245 HE3 0.17 0.15 -0.37 -0.04 7.59 7.50 2o3oG1 TRP 245 HZ2 0.01 0.03 -0.10 -0.04 7.44 7.34 2o3oG1 TRP 245 HZ3 0.16 0.02 -0.07 -0.04 7.13 7.20 2o3oG1 TRP 245 HH2 -0.04 -0.03 -0.02 -0.04 7.19 7.06 2o3oG1 ARG 246 H 0.29 0.80 0.25 -0.55 8.46 9.24 2o3oG1 ARG 246 HA 0.07 0.30 0.96 -0.75 4.34 4.91 2o3oG1 ARG 246 HB2 0.12 0.04 0.09 -0.04 1.90 2.11 2o3oG1 ARG 246 HB3 0.16 -0.08 -0.03 -0.04 1.80 1.81 2o3oG1 ARG 246 HG2 -0.94 -0.02 -0.11 -0.04 1.67 0.55 2o3oG1 ARG 246 HG3 -0.66 -0.03 -0.07 -0.04 1.67 0.87 2o3oG1 ARG 246 HD2 0.07 -0.03 -0.06 -0.04 3.22 3.16 2o3oG1 ARG 246 HD3 -0.11 0.15 -0.06 -0.04 3.22 3.16 2o3oG1 ILE 247 H 0.22 0.66 0.33 -0.55 8.25 8.91 2o3oG1 ILE 247 HA 0.17 0.29 1.06 -0.75 4.18 4.95 2o3oG1 ILE 247 HB 0.25 -0.04 0.03 -0.04 1.89 2.08 2o3oG1 ILE 247 HG12 0.18 0.02 -0.50 -0.04 1.49 1.15 2o3oG1 ILE 247 HG13 0.19 0.05 -0.26 -0.04 1.21 1.14 2o3oG1 ILE 247 HG23 0.10 0.02 -0.12 -0.04 0.93 0.89 2o3oG1 ILE 247 HD13 0.00 0.00 -0.13 -0.04 0.88 0.71 2o3oG1 THR 248 H 0.12 0.48 0.30 -0.55 8.28 8.63 2o3oG1 THR 248 HA -0.13 0.36 1.10 -0.75 4.39 4.97 2o3oG1 THR 248 HB 0.05 -0.22 0.27 -0.04 4.32 4.38 2o3oG1 THR 248 HG23 -0.24 0.02 -0.07 -0.04 1.22 0.88 2o3oG1 VAL 249 H -0.01 0.59 0.37 -0.55 8.24 8.65 2o3oG1 VAL 249 HA 0.06 0.33 1.23 -0.75 4.13 4.99 2o3oG1 VAL 249 HB 0.17 -0.06 -0.11 -0.04 2.12 2.08 2o3oG1 VAL 249 HG13 0.30 0.02 -0.08 -0.04 0.97 1.16 2o3oG1 VAL 249 HG23 0.12 0.01 -0.15 -0.04 0.95 0.89 2o3oG1 GLU 250 H 0.07 0.48 0.42 -0.55 8.60 9.02 2o3oG1 GLU 250 HA 0.07 0.26 0.89 -0.75 4.29 4.76 2o3oG1 GLU 250 HB2 -0.05 0.10 0.00 -0.04 2.09 2.10 2o3oG1 GLU 250 HB3 -0.05 -0.05 0.01 -0.04 1.99 1.87 2o3oG1 GLU 250 HG2 0.01 -0.06 0.01 -0.04 2.34 2.27 2o3oG1 GLU 250 HG3 0.01 0.00 -0.03 -0.04 2.34 2.29 2o3oG1 TYR 251 H -0.21 0.53 0.32 -0.55 8.29 8.38 2o3oG1 TYR 251 HA 0.03 0.25 0.77 -0.75 4.56 4.87 2o3oG1 TYR 251 HB2 0.06 0.04 0.06 -0.04 3.06 3.18 2o3oG1 TYR 251 HB3 0.05 0.01 -0.28 -0.04 2.98 2.72 2o3oG1 TYR 251 HD2 0.04 -0.06 -0.13 -0.04 7.15 6.95 2o3oG1 TYR 251 HE2 0.02 0.02 -0.13 -0.04 6.85 6.73 2o3oG1 GLU 252 H 0.26 0.24 0.09 -0.55 8.60 8.64 2o3oG1 GLU 252 HA -0.06 0.23 0.56 -0.75 4.29 4.27 2o3oG1 GLU 252 HB2 0.11 0.04 0.13 -0.04 2.09 2.33 2o3oG1 GLU 252 HB3 0.06 -0.01 0.10 -0.04 1.99 2.09 2o3oG1 GLU 252 HG2 -0.02 -0.01 0.01 -0.04 2.34 2.28 2o3oG1 GLU 252 HG3 -0.02 0.01 -0.06 -0.04 2.34 2.23 2o3oG1 THR 261 HA -0.14 0.25 0.50 -0.75 4.39 4.25 2o3oG1 THR 261 HB -0.06 -0.06 0.19 -0.04 4.32 4.35 2o3oG1 THR 261 HG23 -0.05 -0.01 -0.05 -0.04 1.22 1.07 2o3oG1 VAL 262 H -0.41 0.22 0.19 -0.55 8.24 7.69 2o3oG1 VAL 262 HA -0.14 0.11 0.71 -0.75 4.13 4.06 2o3oG1 VAL 262 HB -0.50 -0.05 -0.09 -0.04 2.12 1.44 2o3oG1 VAL 262 HG13 -0.07 0.03 0.07 -0.04 0.97 0.96 2o3oG1 VAL 262 HG23 -0.23 0.01 -0.15 -0.04 0.95 0.54 2o3oG1 GLN 263 H -0.08 0.12 0.23 -0.55 8.47 8.19 2o3oG1 GLN 263 HA -0.11 0.29 1.09 -0.75 4.36 4.88 2o3oG1 GLN 263 HB2 -0.05 -0.05 0.12 -0.04 2.15 2.13 2o3oG1 GLN 263 HB3 -0.36 0.01 0.03 -0.04 2.02 1.67 2o3oG1 GLN 263 HG2 -0.08 0.06 -0.06 -0.04 2.40 2.27 2o3oG1 GLN 263 HG3 -0.06 0.01 -0.07 -0.04 2.39 2.24 2o3oG1 GLN 263 HE21 0.01 -0.03 -0.04 -0.04 6.97 6.87 2o3oG1 GLN 263 HE22 -0.02 0.03 -0.07 -0.04 7.69 7.59 2o3oG1 GLU 264 H -0.14 0.72 0.42 -0.55 8.60 9.05 2o3oG1 GLU 264 HA -0.11 0.11 0.77 -0.75 4.29 4.30 2o3oG1 GLU 264 HB2 0.14 0.00 0.03 -0.04 2.09 2.22 2o3oG1 GLU 264 HB3 -0.31 0.04 -0.08 -0.04 1.99 1.60 2o3oG1 GLU 264 HG2 -0.09 -0.01 0.10 -0.04 2.34 2.30 2o3oG1 GLU 264 HG3 0.11 0.05 -0.01 -0.04 2.34 2.45 2o3oG1 TYR 265 H -0.13 0.18 0.19 -0.55 8.29 7.98 2o3oG1 TYR 265 HA -0.05 0.32 1.06 -0.75 4.56 5.13 2o3oG1 TYR 265 HB2 -0.07 -0.02 0.06 -0.04 3.06 2.99 2o3oG1 TYR 265 HB3 -0.01 0.01 0.00 -0.04 2.98 2.95 2o3oG1 TYR 265 HD2 0.02 0.01 -0.09 -0.04 7.15 7.05 2o3oG1 TYR 265 HE2 0.01 0.00 -0.09 -0.04 6.85 6.74 2o3oG1 PHE 266 H 0.21 0.49 0.37 -0.55 8.34 8.85 2o3oG1 PHE 266 HA 0.08 0.15 0.75 -0.75 4.62 4.85 2o3oG1 PHE 266 HB2 0.07 -0.05 0.04 -0.04 3.15 3.17 2o3oG1 PHE 266 HB3 0.06 0.02 -0.06 -0.04 3.06 3.04 2o3oG1 PHE 266 HD2 0.04 0.01 -0.11 -0.04 7.28 7.18 2o3oG1 PHE 266 HE2 0.03 -0.01 -0.11 -0.04 7.38 7.24 2o3oG1 PHE 266 HZ 0.01 0.11 -0.07 -0.04 7.32 7.33 2o3oG1 THR 267 H 0.17 0.23 0.09 -0.55 8.28 8.23 2o3oG1 THR 267 HA 0.06 0.31 0.95 -0.75 4.39 4.96 2o3oG1 THR 267 HB 0.02 -0.01 0.08 -0.04 4.32 4.36 2o3oG1 THR 267 HG23 -0.07 -0.00 -0.25 -0.04 1.22 0.86 2o3oG1 VAL 268 H 0.15 0.78 0.22 -0.55 8.24 8.84 2o3oG1 VAL 268 HA 0.09 0.15 0.92 -0.75 4.13 4.54 2o3oG1 VAL 268 HB 0.23 -0.02 0.06 -0.04 2.12 2.34 2o3oG1 VAL 268 HG13 0.14 0.04 -0.13 -0.04 0.97 0.98 2o3oG1 VAL 268 HG23 0.09 -0.00 -0.17 -0.04 0.95 0.83 2o3oG1 ASN 269 H 0.06 0.15 0.11 -0.55 8.53 8.31 2o3oG1 ASN 269 HA -0.03 0.10 0.52 -0.75 4.76 4.60 2o3oG1 ASN 269 HB2 0.03 0.01 0.11 -0.04 2.88 2.99 2o3oG1 ASN 269 HB3 0.04 0.06 0.09 -0.04 2.79 2.93 2o3oG1 ASN 269 HD21 0.01 -0.04 -0.03 -0.04 7.03 6.93 2o3oG1 ASN 269 HD22 0.02 0.03 -0.03 -0.04 7.74 7.72 2o3oG1 ALA 270 H -0.10 0.71 0.39 -0.55 8.40 8.85 2o3oG1 ALA 270 HA 0.16 0.13 0.58 -0.75 4.34 4.45 2o3oG1 ALA 270 HB3 -0.24 -0.01 -0.13 -0.04 1.41 0.99 2o3oG1 LEU 271 H -0.02 0.06 -0.03 -0.55 8.37 7.83 2o3oG1 LEU 271 HA 0.00 0.12 0.44 -0.75 4.35 4.16 2o3oG1 LEU 271 HB2 0.00 0.03 0.01 -0.04 1.64 1.65 2o3oG1 LEU 271 HB3 0.00 -0.11 0.03 -0.04 1.64 1.52 2o3oG1 LEU 271 HG -0.04 0.03 0.07 -0.04 1.64 1.66 2o3oG1 LEU 271 HD13 -0.00 0.01 0.01 -0.04 0.93 0.90 2o3oG1 LEU 271 HD23 -0.02 0.01 -0.15 -0.04 0.89 0.69 2o3oG1 GLU 272 H 0.00 0.13 0.19 -0.55 8.60 8.37 2o3oG1 GLU 272 HA 0.01 0.22 0.60 -0.75 4.29 4.37 2o3oG1 GLU 272 HB2 0.01 0.16 -0.01 -0.04 2.09 2.21 2o3oG1 GLU 272 HB3 -0.01 -0.05 0.02 -0.04 1.99 1.90 2o3oG1 GLU 272 HG2 -0.03 -0.07 0.08 -0.04 2.34 2.28 2o3oG1 GLU 272 HG3 -0.00 0.05 -0.00 -0.04 2.34 2.34 2o3oG1 SER 273 H 0.00 0.07 -0.11 -0.55 8.46 7.88 2o3oG1 SER 273 HA -0.01 0.01 0.24 -0.75 4.49 3.98 2o3oG1 SER 273 HB2 0.00 0.08 -0.02 -0.04 3.95 3.97 2o3oG1 SER 273 HB3 -0.00 -0.02 0.06 -0.04 3.93 3.92 2o3oG1 THR 274 H -0.01 0.07 0.34 -0.55 8.28 8.13 2o3oG1 THR 274 HA 0.00 0.21 0.87 -0.75 4.39 4.72 2o3oG1 THR 274 HB 0.00 -0.02 0.05 -0.04 4.32 4.31 2o3oG1 THR 274 HG23 0.01 0.03 -0.21 -0.04 1.22 1.00 2o3oG1 ILE 275 H -0.01 0.00 0.19 -0.55 8.25 7.88 2o3oG1 ILE 275 HA -0.01 0.19 0.91 -0.75 4.18 4.53 2o3oG1 ILE 275 HB -0.02 -0.05 0.12 -0.04 1.89 1.90 2o3oG1 ILE 275 HG12 -0.01 0.05 0.07 -0.04 1.49 1.56 2o3oG1 ILE 275 HG13 -0.01 -0.03 -0.06 -0.04 1.21 1.07 2o3oG1 ILE 275 HG23 -0.01 -0.01 -0.18 -0.04 0.93 0.69 2o3oG1 ILE 275 HD13 -0.01 -0.00 0.01 -0.04 0.88 0.83 2o3oG1 LEU 276 H -0.00 0.19 0.11 -0.55 8.37 8.12 2o3oG1 LEU 276 HA -0.00 0.16 0.78 -0.75 4.35 4.53 2o3oG1 LEU 276 HB2 -0.00 0.02 -0.03 -0.04 1.64 1.59 2o3oG1 LEU 276 HB3 0.00 0.02 0.05 -0.04 1.64 1.67 2o3oG1 LEU 276 HG 0.00 0.02 -0.51 -0.04 1.64 1.11 2o3oG1 LEU 276 HD13 0.00 0.02 -0.11 -0.04 0.93 0.80 2o3oG1 LEU 276 HD23 0.00 -0.00 -0.03 -0.04 0.89 0.82 2o3oG1 ASP 277 H -0.00 0.13 0.11 -0.55 8.40 8.09 2o3oG1 ASP 277 HA -0.00 0.01 0.43 -0.75 4.63 4.32 2o3oG1 ASP 277 HB2 0.00 0.01 0.13 -0.04 2.71 2.80 2o3oG1 ASP 277 HB3 0.00 0.03 0.08 -0.04 2.70 2.77 2o3oG1 THR 278 H -0.00 0.09 0.10 -0.55 8.28 7.92 2o3oG1 THR 278 HA -0.00 0.15 0.13 -0.75 4.39 3.91 2o3oG1 THR 278 HB -0.00 -0.01 0.05 -0.04 4.32 4.32 2o3oG1 THR 278 HG23 -0.00 0.00 0.05 -0.04 1.22 1.23