============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. HIS 4 0.900 -2.310 14.042 4.609 -99.200 -91.000 HIS 7 0.900 -7.866 11.967 6.268 -99.200 -91.000 HIS 55 0.900 -4.625 -7.638 5.769 -99.200 -91.000 TYR 66 0.840 -18.300 -3.452 5.808 -99.200 -91.000 PHE 68 1.000 -12.208 -8.476 1.142 -99.200 -91.000 HIS 107 0.900 0.863 -3.294 9.945 -99.200 -91.000 PHE 118 1.000 -9.407 2.731 18.363 -99.200 -91.000 TRP 120 1.040 -7.267 -5.068 12.836 -99.200 -91.000 TRP6 120 1.020 -8.250 -2.925 12.647 -99.200 -91.000 PHE 123 1.000 3.661 -3.509 13.629 -99.200 -91.000 HIS 160 0.900 7.584 0.443 7.485 -99.200 -91.000 TYR 171 0.840 5.075 10.658 17.553 -99.200 -91.000 PHE 188 1.000 20.726 0.183 20.725 -99.200 -91.000 HIS 210 0.900 10.674 18.998 15.642 -99.200 -91.000 PHE 213 1.000 9.482 14.563 8.157 -99.200 -91.000 PHE 217 1.000 3.456 9.755 -0.012 -99.200 -91.000 TYR 221 0.840 10.577 -5.878 3.096 -99.200 -91.000 PHE 222 1.000 10.949 0.797 -0.382 -99.200 -91.000 PHE 224 1.000 10.628 6.820 -1.194 -99.200 -91.000 HIS 228 0.900 5.444 21.354 8.007 -99.200 -91.000 HIS 231 0.900 14.351 20.666 1.238 -99.200 -91.000 TYR 233 0.840 14.569 15.142 4.975 -99.200 -91.000 PHE 235 1.000 12.358 7.109 7.500 -99.200 -91.000 TYR 240 0.840 17.568 -6.059 -5.961 -99.200 -91.000 HIS 241 0.900 21.181 1.044 -6.905 -99.200 -91.000 PHE 252 1.000 19.763 0.154 9.987 -99.200 -91.000 PHE 260 1.000 13.242 10.266 -5.233 -99.200 -91.000 TRP 267 1.040 10.036 14.472 -6.496 -99.200 -91.000 TRP6 267 1.020 9.761 12.997 -8.322 -99.200 -91.000 PHE 270 1.000 8.234 10.027 -3.294 -99.200 -91.000 HIS 275 0.900 13.890 -6.970 -3.886 -99.200 -91.000 HIS 276 0.900 8.131 -2.312 -7.726 -99.200 -91.000 TYR 287 0.840 9.109 11.477 -13.055 -99.200 -91.000 TYR 294 0.840 10.776 -11.828 -12.502 -99.200 -91.000 TYR 329 0.840 -1.495 -2.603 -10.114 -99.200 -91.000 PHE 338 1.000 -2.901 3.305 -19.084 -99.200 -91.000 TRP 340 1.040 4.658 -0.736 -14.161 -99.200 -91.000 TRP6 340 1.020 3.248 1.147 -13.927 -99.200 -91.000 TYR 346 0.840 -3.488 -15.630 -14.300 -99.200 -91.000 TRP 357 1.040 9.518 -7.090 -19.389 -99.200 -91.000 TRP6 357 1.020 11.599 -6.849 -18.294 -99.200 -91.000 HIS 381 0.900 -4.780 -9.006 -2.282 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1i2mB1 LYS 24 HA 0.03 -0.11 0.22 -0.75 4.32 3.71 1i2mB1 LYS 24 HB2 0.03 -0.09 0.08 -0.04 1.87 1.86 1i2mB1 LYS 24 HB3 0.04 -0.02 0.25 -0.04 1.79 2.02 1i2mB1 LYS 24 HG2 0.03 -0.02 -0.01 -0.04 1.46 1.42 1i2mB1 LYS 24 HG3 0.04 0.02 -0.27 -0.04 1.46 1.21 1i2mB1 LYS 24 HD2 0.02 -0.03 -0.02 -0.04 1.69 1.62 1i2mB1 LYS 24 HD3 0.03 0.01 0.02 -0.04 1.68 1.70 1i2mB1 LYS 24 HE2 0.02 0.00 0.03 -0.04 2.99 3.00 1i2mB1 LYS 24 HE3 0.02 -0.01 0.01 -0.04 2.99 2.97 1i2mB1 VAL 25 H 0.07 0.35 0.20 -0.55 8.24 8.31 1i2mB1 VAL 25 HA 0.06 0.00 0.49 -0.75 4.13 3.93 1i2mB1 VAL 25 HB 0.12 -0.03 0.01 -0.04 2.12 2.18 1i2mB1 VAL 25 HG13 0.06 -0.01 -0.18 -0.04 0.97 0.80 1i2mB1 VAL 25 HG23 0.15 0.06 -0.07 -0.04 0.95 1.05 1i2mB1 SER 26 H 0.04 0.23 0.24 -0.55 8.46 8.42 1i2mB1 SER 26 HA -0.03 0.15 0.66 -0.75 4.49 4.52 1i2mB1 SER 26 HB2 -0.03 -0.03 0.06 -0.04 3.95 3.90 1i2mB1 SER 26 HB3 0.03 0.14 -0.19 -0.04 3.93 3.87 1i2mB1 HIS 27 H -0.54 0.36 0.22 -0.55 8.41 7.90 1i2mB1 HIS 27 HA -0.16 0.10 0.59 -0.75 4.63 4.41 1i2mB1 HIS 27 HB2 -0.23 0.16 -0.19 -0.04 3.26 2.96 1i2mB1 HIS 27 HB3 -0.51 -0.01 0.03 -0.04 3.20 2.67 1i2mB1 HIS 27 HD2 -0.02 0.06 0.05 -0.04 6.97 7.01 1i2mB1 HIS 27 HE1 -0.03 0.02 0.10 -0.04 7.75 7.80 1i2mB1 ARG 28 H -0.65 0.20 0.19 -0.55 8.46 7.65 1i2mB1 ARG 28 HA -0.09 0.10 0.45 -0.75 4.34 4.05 1i2mB1 ARG 28 HB2 -0.04 0.06 0.11 -0.04 1.90 1.99 1i2mB1 ARG 28 HB3 -0.14 -0.01 0.17 -0.04 1.80 1.78 1i2mB1 ARG 28 HG2 -0.53 -0.01 0.17 -0.04 1.67 1.26 1i2mB1 ARG 28 HG3 -0.14 0.00 0.02 -0.04 1.67 1.51 1i2mB1 ARG 28 HD2 0.06 0.05 0.01 -0.04 3.22 3.31 1i2mB1 ARG 28 HD3 -0.03 -0.02 0.05 -0.04 3.22 3.18 1i2mB1 SER 29 H 0.38 -0.02 -0.32 -0.55 8.46 7.95 1i2mB1 SER 29 HA 0.16 0.12 0.49 -0.75 4.49 4.51 1i2mB1 SER 29 HB2 0.16 0.02 0.14 -0.04 3.95 4.23 1i2mB1 SER 29 HB3 0.29 -0.04 0.12 -0.04 3.93 4.26 1i2mB1 HIS 30 H 0.15 0.35 -0.25 -0.55 8.41 8.12 1i2mB1 HIS 30 HA 0.06 0.01 0.53 -0.75 4.63 4.46 1i2mB1 HIS 30 HB2 0.06 0.03 0.14 -0.04 3.26 3.45 1i2mB1 HIS 30 HB3 0.05 0.08 0.04 -0.04 3.20 3.33 1i2mB1 HIS 30 HD2 0.08 -0.13 -0.11 -0.04 6.97 6.76 1i2mB1 HIS 30 HE1 0.05 0.01 -0.27 -0.04 7.75 7.50 1i2mB1 SER 31 H 0.08 0.16 0.27 -0.55 8.46 8.42 1i2mB1 SER 31 HA 0.07 0.12 0.92 -0.75 4.49 4.85 1i2mB1 SER 31 HB2 0.04 -0.05 0.10 -0.04 3.95 3.99 1i2mB1 SER 31 HB3 0.04 0.06 0.15 -0.04 3.93 4.14 1i2mB1 THR 32 H 0.05 0.04 0.21 -0.55 8.28 8.03 1i2mB1 THR 32 HA 0.04 0.22 0.90 -0.75 4.39 4.80 1i2mB1 THR 32 HB 0.04 -0.04 0.11 -0.04 4.32 4.39 1i2mB1 THR 32 HG23 0.06 0.01 -0.25 -0.04 1.22 1.00 1i2mB1 GLU 33 H 0.03 0.04 0.15 -0.55 8.60 8.27 1i2mB1 GLU 33 HA 0.02 0.15 0.75 -0.75 4.29 4.45 1i2mB1 GLU 33 HB2 0.02 -0.02 0.17 -0.04 2.09 2.23 1i2mB1 GLU 33 HB3 0.02 0.08 -0.02 -0.04 1.99 2.02 1i2mB1 GLU 33 HG2 0.02 0.02 0.03 -0.04 2.34 2.37 1i2mB1 GLU 33 HG3 0.02 -0.06 0.02 -0.04 2.34 2.28 1i2mB1 PRO 34 HA 0.01 0.15 0.32 -0.51 4.44 4.41 1i2mB1 PRO 34 HB2 0.00 -0.04 0.01 -0.04 2.28 2.22 1i2mB1 PRO 34 HB3 0.01 -0.03 0.03 -0.04 2.02 1.99 1i2mB1 PRO 34 HG2 0.01 -0.00 0.15 -0.04 2.03 2.15 1i2mB1 PRO 34 HG3 0.01 -0.01 0.11 -0.04 2.03 2.10 1i2mB1 PRO 34 HD2 0.01 0.03 0.32 -0.04 3.68 4.00 1i2mB1 PRO 34 HD3 0.02 0.30 0.26 -0.04 3.65 4.19 1i2mB1 GLY 35 H 0.00 0.55 0.40 -0.55 8.43 8.84 1i2mB1 GLY 35 HA2 -0.00 0.09 0.84 -0.51 4.01 4.43 1i2mB1 GLY 35 HA3 0.00 0.07 0.34 -0.51 4.01 3.91 1i2mB1 LEU 36 H -0.01 0.80 0.43 -0.55 8.37 9.05 1i2mB1 LEU 36 HA -0.02 0.12 0.95 -0.75 4.35 4.65 1i2mB1 LEU 36 HB2 -0.01 -0.01 0.02 -0.04 1.64 1.60 1i2mB1 LEU 36 HB3 -0.02 0.03 0.03 -0.04 1.64 1.64 1i2mB1 LEU 36 HG -0.01 -0.03 -0.10 -0.04 1.64 1.46 1i2mB1 LEU 36 HD13 -0.01 -0.00 -0.08 -0.04 0.93 0.79 1i2mB1 LEU 36 HD23 -0.02 0.01 -0.02 -0.04 0.89 0.82 1i2mB1 VAL 37 H -0.02 0.20 0.22 -0.55 8.24 8.09 1i2mB1 VAL 37 HA 0.00 0.34 1.01 -0.75 4.13 4.73 1i2mB1 VAL 37 HB 0.02 0.01 0.11 -0.04 2.12 2.22 1i2mB1 VAL 37 HG13 0.10 0.00 -0.23 -0.04 0.97 0.80 1i2mB1 VAL 37 HG23 0.02 -0.01 -0.13 -0.04 0.95 0.79 1i2mB1 LEU 38 H 0.00 0.72 0.38 -0.55 8.37 8.92 1i2mB1 LEU 38 HA -0.00 0.34 0.92 -0.75 4.35 4.85 1i2mB1 LEU 38 HB2 -0.01 -0.07 -0.07 -0.04 1.64 1.45 1i2mB1 LEU 38 HB3 -0.01 -0.10 -0.18 -0.04 1.64 1.31 1i2mB1 LEU 38 HG -0.01 0.04 -0.30 -0.04 1.64 1.33 1i2mB1 LEU 38 HD13 -0.01 0.02 -0.30 -0.04 0.93 0.60 1i2mB1 LEU 38 HD23 -0.01 0.02 -0.40 -0.04 0.89 0.46 1i2mB1 THR 39 H 0.01 0.55 0.34 -0.55 8.28 8.63 1i2mB1 THR 39 HA 0.04 0.31 1.13 -0.75 4.39 5.11 1i2mB1 THR 39 HB 0.14 -0.04 0.05 -0.04 4.32 4.43 1i2mB1 THR 39 HG23 0.20 0.00 -0.21 -0.04 1.22 1.17 1i2mB1 LEU 40 H 0.06 0.56 0.32 -0.55 8.37 8.76 1i2mB1 LEU 40 HA 0.04 0.07 0.47 -0.75 4.35 4.18 1i2mB1 LEU 40 HB2 0.04 0.13 -0.17 -0.04 1.64 1.61 1i2mB1 LEU 40 HB3 0.02 -0.04 -0.49 -0.04 1.64 1.09 1i2mB1 LEU 40 HG 0.05 -0.05 -0.25 -0.04 1.64 1.34 1i2mB1 LEU 40 HD13 0.06 0.06 -0.30 -0.04 0.93 0.71 1i2mB1 LEU 40 HD23 -0.01 0.02 -0.29 -0.04 0.89 0.56 1i2mB1 GLY 41 H 0.07 0.62 0.32 -0.55 8.43 8.89 1i2mB1 GLY 41 HA2 0.15 0.22 0.32 -0.51 4.01 4.19 1i2mB1 GLY 41 HA3 0.12 0.10 1.03 -0.51 4.01 4.76 1i2mB1 GLN 42 H 0.11 0.62 0.29 -0.55 8.47 8.94 1i2mB1 GLN 42 HA 0.06 0.21 0.80 -0.75 4.36 4.68 1i2mB1 GLN 42 HB2 0.06 -0.08 0.09 -0.04 2.15 2.18 1i2mB1 GLN 42 HB3 0.05 -0.13 0.14 -0.04 2.02 2.03 1i2mB1 GLN 42 HG2 0.09 0.20 0.20 -0.04 2.40 2.85 1i2mB1 GLN 42 HG3 0.06 -0.08 0.09 -0.04 2.39 2.42 1i2mB1 GLN 42 HE21 0.29 -0.05 -0.14 -0.04 6.97 7.04 1i2mB1 GLN 42 HE22 0.24 0.33 -0.15 -0.04 7.69 8.07 1i2mB1 GLY 43 H 0.02 0.67 0.19 -0.55 8.43 8.77 1i2mB1 GLY 43 HA2 -0.02 0.04 0.71 -0.51 4.01 4.23 1i2mB1 GLY 43 HA3 0.01 0.14 0.19 -0.51 4.01 3.84 1i2mB1 ASP 44 H 0.01 0.16 0.05 -0.55 8.40 8.07 1i2mB1 ASP 44 HA 0.01 0.12 0.37 -0.75 4.63 4.38 1i2mB1 ASP 44 HB2 0.01 -0.05 0.05 -0.04 2.71 2.69 1i2mB1 ASP 44 HB3 0.01 0.05 0.04 -0.04 2.70 2.77 1i2mB1 VAL 45 H -0.00 -0.02 -0.37 -0.55 8.24 7.30 1i2mB1 VAL 45 HA 0.01 0.32 0.97 -0.75 4.13 4.68 1i2mB1 VAL 45 HB 0.01 -0.02 0.12 -0.04 2.12 2.19 1i2mB1 VAL 45 HG13 0.01 0.00 -0.12 -0.04 0.97 0.82 1i2mB1 VAL 45 HG23 -0.00 -0.02 -0.02 -0.04 0.95 0.87 1i2mB1 GLY 46 H 0.01 0.53 -0.26 -0.55 8.43 8.16 1i2mB1 GLY 46 HA2 0.03 0.10 0.27 -0.51 4.01 3.90 1i2mB1 GLY 46 HA3 0.06 0.25 0.54 -0.51 4.01 4.35 1i2mB1 GLN 47 H -0.03 -0.05 -0.23 -0.55 8.47 7.62 1i2mB1 GLN 47 HA 0.05 0.21 0.02 -0.75 4.36 3.89 1i2mB1 GLN 47 HB2 -0.98 0.07 -0.22 -0.04 2.15 0.98 1i2mB1 GLN 47 HB3 -0.26 0.02 -0.30 -0.04 2.02 1.43 1i2mB1 GLN 47 HG2 -0.21 0.15 -0.11 -0.04 2.40 2.19 1i2mB1 GLN 47 HG3 -0.69 -0.02 -0.15 -0.04 2.39 1.49 1i2mB1 GLN 47 HE21 -0.02 -0.09 -0.08 -0.04 6.97 6.74 1i2mB1 GLN 47 HE22 -0.06 0.01 -0.07 -0.04 7.69 7.54 1i2mB1 LEU 48 H 0.04 -0.04 -0.49 -0.55 8.37 7.33 1i2mB1 LEU 48 HA 0.16 0.17 0.43 -0.75 4.35 4.35 1i2mB1 LEU 48 HB2 0.00 -0.02 -0.13 -0.04 1.64 1.45 1i2mB1 LEU 48 HB3 0.02 0.05 -0.19 -0.04 1.64 1.48 1i2mB1 LEU 48 HG 0.03 -0.07 -0.47 -0.04 1.64 1.08 1i2mB1 LEU 48 HD13 0.01 0.06 -0.51 -0.04 0.93 0.45 1i2mB1 LEU 48 HD23 0.10 0.02 -0.56 -0.04 0.89 0.40 1i2mB1 GLY 49 H 0.04 0.25 -0.28 -0.55 8.43 7.89 1i2mB1 GLY 49 HA2 -0.42 0.13 0.06 -0.51 4.01 3.27 1i2mB1 GLY 49 HA3 -1.38 0.06 0.26 -0.51 4.01 2.44 1i2mB1 LEU 50 H -0.10 -0.02 -0.25 -0.55 8.37 7.45 1i2mB1 LEU 50 HA -0.12 0.24 0.90 -0.75 4.35 4.61 1i2mB1 LEU 50 HB2 -0.05 -0.03 -0.04 -0.04 1.64 1.48 1i2mB1 LEU 50 HB3 -0.06 -0.05 0.13 -0.04 1.64 1.63 1i2mB1 LEU 50 HG -0.07 0.12 -0.44 -0.04 1.64 1.21 1i2mB1 LEU 50 HD13 -0.03 -0.02 -0.14 -0.04 0.93 0.70 1i2mB1 LEU 50 HD23 -0.08 0.02 -0.19 -0.04 0.89 0.59 1i2mB1 GLY 51 H -0.08 0.56 -0.12 -0.55 8.43 8.24 1i2mB1 GLY 51 HA2 -0.04 0.03 0.24 -0.51 4.01 3.73 1i2mB1 GLY 51 HA3 -0.04 0.17 0.80 -0.51 4.01 4.43 1i2mB1 GLU 52 H -0.02 0.17 0.10 -0.55 8.60 8.30 1i2mB1 GLU 52 HA -0.01 0.07 0.31 -0.75 4.29 3.91 1i2mB1 GLU 52 HB2 -0.01 -0.01 0.12 -0.04 2.09 2.15 1i2mB1 GLU 52 HB3 -0.01 0.01 0.08 -0.04 1.99 2.02 1i2mB1 GLU 52 HG2 -0.01 0.05 -0.24 -0.04 2.34 2.10 1i2mB1 GLU 52 HG3 -0.00 -0.02 0.07 -0.04 2.34 2.34 1i2mB1 ASN 53 H -0.02 0.08 -0.36 -0.55 8.53 7.68 1i2mB1 ASN 53 HA -0.01 0.27 0.97 -0.75 4.76 5.24 1i2mB1 ASN 53 HB2 -0.01 0.00 -0.01 -0.04 2.88 2.82 1i2mB1 ASN 53 HB3 -0.01 -0.01 0.12 -0.04 2.79 2.85 1i2mB1 ASN 53 HD21 -0.01 0.01 -0.10 -0.04 7.03 6.89 1i2mB1 ASN 53 HD22 -0.01 0.00 -0.08 -0.04 7.74 7.61 1i2mB1 VAL 54 H -0.02 0.37 -0.20 -0.55 8.24 7.84 1i2mB1 VAL 54 HA -0.02 0.09 0.72 -0.75 4.13 4.17 1i2mB1 VAL 54 HB -0.03 0.00 0.01 -0.04 2.12 2.07 1i2mB1 VAL 54 HG13 -0.03 -0.00 -0.14 -0.04 0.97 0.76 1i2mB1 VAL 54 HG23 -0.03 -0.00 -0.03 -0.04 0.95 0.84 1i2mB1 MET 55 H -0.01 0.26 0.06 -0.55 8.47 8.23 1i2mB1 MET 55 HA 0.00 0.15 0.49 -0.75 4.52 4.41 1i2mB1 MET 55 HB2 -0.00 0.04 -0.03 -0.04 2.15 2.12 1i2mB1 MET 55 HB3 0.01 -0.11 0.02 -0.04 2.03 1.91 1i2mB1 MET 55 HG2 -0.00 0.11 -0.28 -0.04 2.63 2.42 1i2mB1 MET 55 HG3 0.00 -0.00 -0.05 -0.04 2.56 2.46 1i2mB1 MET 55 HE3 0.01 0.01 0.05 -0.04 2.10 2.12 1i2mB1 GLU 56 H -0.02 0.18 -0.07 -0.55 8.60 8.15 1i2mB1 GLU 56 HA 0.01 0.32 0.64 -0.75 4.29 4.51 1i2mB1 GLU 56 HB2 0.01 0.06 -0.13 -0.04 2.09 1.99 1i2mB1 GLU 56 HB3 -0.04 -0.08 -0.10 -0.04 1.99 1.74 1i2mB1 GLU 56 HG2 -0.18 -0.07 -0.38 -0.04 2.34 1.66 1i2mB1 GLU 56 HG3 -0.06 0.13 -0.12 -0.04 2.34 2.25 1i2mB1 ARG 57 H -0.01 0.68 0.20 -0.55 8.46 8.78 1i2mB1 ARG 57 HA -0.06 0.09 0.84 -0.75 4.34 4.46 1i2mB1 ARG 57 HB2 0.01 -0.06 0.03 -0.04 1.90 1.84 1i2mB1 ARG 57 HB3 -0.01 0.23 0.06 -0.04 1.80 2.03 1i2mB1 ARG 57 HG2 -0.02 -0.06 -0.34 -0.04 1.67 1.22 1i2mB1 ARG 57 HG3 -0.01 0.06 -0.10 -0.04 1.67 1.58 1i2mB1 ARG 57 HD2 -0.03 -0.01 0.01 -0.04 3.22 3.16 1i2mB1 ARG 57 HD3 -0.03 0.02 0.08 -0.04 3.22 3.26 1i2mB1 LYS 58 H -0.12 0.15 0.12 -0.55 8.42 8.02 1i2mB1 LYS 58 HA -0.07 0.15 0.64 -0.75 4.32 4.28 1i2mB1 LYS 58 HB2 -0.12 0.02 0.07 -0.04 1.87 1.79 1i2mB1 LYS 58 HB3 -0.10 -0.04 0.08 -0.04 1.79 1.69 1i2mB1 LYS 58 HG2 -1.16 0.00 -0.09 -0.04 1.46 0.17 1i2mB1 LYS 58 HG3 -0.38 -0.04 -0.05 -0.04 1.46 0.95 1i2mB1 LYS 58 HD2 -0.19 -0.01 0.02 -0.04 1.69 1.47 1i2mB1 LYS 58 HD3 -0.27 0.18 0.02 -0.04 1.68 1.57 1i2mB1 LYS 58 HE2 -0.81 -0.02 -0.06 -0.04 2.99 2.06 1i2mB1 LYS 58 HE3 -0.29 -0.01 -0.04 -0.04 2.99 2.60 1i2mB1 LYS 59 H -0.03 0.11 -0.05 -0.55 8.42 7.89 1i2mB1 LYS 59 HA 0.02 0.23 0.73 -0.75 4.32 4.54 1i2mB1 LYS 59 HB2 -0.01 -0.11 0.01 -0.04 1.87 1.72 1i2mB1 LYS 59 HB3 -0.00 0.02 0.03 -0.04 1.79 1.79 1i2mB1 LYS 59 HG2 0.01 0.26 0.05 -0.04 1.46 1.74 1i2mB1 LYS 59 HG3 0.00 -0.11 -0.36 -0.04 1.46 0.96 1i2mB1 LYS 59 HD2 -0.01 -0.08 -0.03 -0.04 1.69 1.54 1i2mB1 LYS 59 HD3 -0.00 -0.16 0.08 -0.04 1.68 1.56 1i2mB1 LYS 59 HE2 0.00 -0.11 -0.04 -0.04 2.99 2.80 1i2mB1 LYS 59 HE3 0.00 0.38 0.04 -0.04 2.99 3.38 1i2mB1 PRO 60 HA 0.00 0.16 0.21 -0.51 4.44 4.31 1i2mB1 PRO 60 HB2 -0.01 -0.11 -0.14 -0.04 2.28 1.98 1i2mB1 PRO 60 HB3 -0.01 0.06 -0.18 -0.04 2.02 1.85 1i2mB1 PRO 60 HG2 -0.00 0.06 -0.16 -0.04 2.03 1.88 1i2mB1 PRO 60 HG3 0.00 0.08 -0.15 -0.04 2.03 1.91 1i2mB1 PRO 60 HD2 0.00 0.04 0.04 -0.04 3.68 3.72 1i2mB1 PRO 60 HD3 0.01 0.17 0.11 -0.04 3.65 3.91 1i2mB1 ALA 61 H -0.00 0.53 0.32 -0.55 8.40 8.71 1i2mB1 ALA 61 HA -0.02 0.07 0.94 -0.75 4.34 4.58 1i2mB1 ALA 61 HB3 -0.02 0.02 0.05 -0.04 1.41 1.43 1i2mB1 LEU 62 H -0.02 0.08 0.13 -0.55 8.37 8.00 1i2mB1 LEU 62 HA -0.02 0.19 0.57 -0.75 4.35 4.33 1i2mB1 LEU 62 HB2 -0.02 -0.02 0.06 -0.04 1.64 1.62 1i2mB1 LEU 62 HB3 -0.03 -0.07 0.10 -0.04 1.64 1.61 1i2mB1 LEU 62 HG -0.04 0.03 -0.41 -0.04 1.64 1.19 1i2mB1 LEU 62 HD13 -0.02 0.05 -0.01 -0.04 0.93 0.90 1i2mB1 LEU 62 HD23 -0.03 -0.02 -0.07 -0.04 0.89 0.74 1i2mB1 VAL 63 H -0.03 0.77 0.40 -0.55 8.24 8.83 1i2mB1 VAL 63 HA -0.11 0.12 0.76 -0.75 4.13 4.15 1i2mB1 VAL 63 HB -0.03 -0.06 0.04 -0.04 2.12 2.03 1i2mB1 VAL 63 HG13 -0.27 0.03 -0.18 -0.04 0.97 0.51 1i2mB1 VAL 63 HG23 -0.04 0.02 -0.15 -0.04 0.95 0.74 1i2mB1 SER 64 H -0.11 0.18 0.13 -0.55 8.46 8.12 1i2mB1 SER 64 HA -0.07 0.08 0.66 -0.75 4.49 4.40 1i2mB1 SER 64 HB2 -0.07 0.00 0.15 -0.04 3.95 3.99 1i2mB1 SER 64 HB3 -0.06 -0.00 -0.03 -0.04 3.93 3.80 1i2mB1 ILE 65 H -0.09 0.29 0.24 -0.55 8.25 8.14 1i2mB1 ILE 65 HA -0.20 0.18 0.79 -0.75 4.18 4.20 1i2mB1 ILE 65 HB -0.17 0.11 0.11 -0.04 1.89 1.90 1i2mB1 ILE 65 HG12 -0.10 0.04 -0.46 -0.04 1.49 0.93 1i2mB1 ILE 65 HG13 -0.10 -0.03 -0.13 -0.04 1.21 0.91 1i2mB1 ILE 65 HG23 -0.68 -0.10 -0.10 -0.04 0.93 0.01 1i2mB1 ILE 65 HD13 -0.11 0.05 -0.14 -0.04 0.88 0.63 1i2mB1 PRO 66 HA -0.03 0.06 0.38 -0.51 4.44 4.34 1i2mB1 PRO 66 HB2 0.08 -0.00 -0.03 -0.04 2.28 2.28 1i2mB1 PRO 66 HB3 0.03 0.01 0.09 -0.04 2.02 2.11 1i2mB1 PRO 66 HG2 0.16 0.02 0.02 -0.04 2.03 2.19 1i2mB1 PRO 66 HG3 0.02 0.04 0.02 -0.04 2.03 2.07 1i2mB1 PRO 66 HD2 -0.38 0.08 0.10 -0.04 3.68 3.44 1i2mB1 PRO 66 HD3 -0.11 0.22 0.16 -0.04 3.65 3.88 1i2mB1 GLU 67 H -0.17 0.13 -0.48 -0.55 8.60 7.53 1i2mB1 GLU 67 HA -0.02 0.19 0.83 -0.75 4.29 4.54 1i2mB1 GLU 67 HB2 -0.00 0.05 -0.06 -0.04 2.09 2.03 1i2mB1 GLU 67 HB3 0.02 -0.07 0.17 -0.04 1.99 2.07 1i2mB1 GLU 67 HG2 0.05 0.12 -0.24 -0.04 2.34 2.23 1i2mB1 GLU 67 HG3 0.08 -0.09 -0.30 -0.04 2.34 1.99 1i2mB1 ASP 68 H -0.01 0.07 0.18 -0.55 8.40 8.09 1i2mB1 ASP 68 HA -0.03 0.22 0.62 -0.75 4.63 4.69 1i2mB1 ASP 68 HB2 0.00 -0.09 0.15 -0.04 2.71 2.73 1i2mB1 ASP 68 HB3 -0.00 0.04 0.07 -0.04 2.70 2.77 1i2mB1 VAL 69 H -0.02 0.65 0.37 -0.55 8.24 8.70 1i2mB1 VAL 69 HA 0.01 0.11 0.97 -0.75 4.13 4.47 1i2mB1 VAL 69 HB -0.01 0.04 -0.05 -0.04 2.12 2.05 1i2mB1 VAL 69 HG13 0.02 0.01 -0.24 -0.04 0.97 0.71 1i2mB1 VAL 69 HG23 -0.05 0.02 -0.21 -0.04 0.95 0.66 1i2mB1 VAL 70 H 0.02 0.67 0.24 -0.55 8.24 8.63 1i2mB1 VAL 70 HA 0.02 0.36 0.80 -0.75 4.13 4.55 1i2mB1 VAL 70 HB 0.03 0.01 -0.36 -0.04 2.12 1.76 1i2mB1 VAL 70 HG13 0.02 -0.03 -0.45 -0.04 0.97 0.47 1i2mB1 VAL 70 HG23 0.02 0.02 -0.24 -0.04 0.95 0.71 1i2mB1 GLN 71 H 0.02 0.25 0.15 -0.55 8.47 8.34 1i2mB1 GLN 71 HA 0.01 0.17 0.61 -0.75 4.36 4.39 1i2mB1 GLN 71 HB2 0.01 0.12 -0.19 -0.04 2.15 2.05 1i2mB1 GLN 71 HB3 0.01 -0.12 -0.00 -0.04 2.02 1.86 1i2mB1 GLN 71 HG2 -0.01 -0.04 -0.11 -0.04 2.40 2.20 1i2mB1 GLN 71 HG3 0.01 0.11 0.09 -0.04 2.39 2.55 1i2mB1 GLN 71 HE21 -0.03 0.42 0.18 -0.04 6.97 7.50 1i2mB1 GLN 71 HE22 -0.03 -0.03 -0.01 -0.04 7.69 7.58 1i2mB1 ALA 72 H -0.02 0.29 -0.02 -0.55 8.40 8.11 1i2mB1 ALA 72 HA -0.02 0.17 0.86 -0.75 4.34 4.60 1i2mB1 ALA 72 HB3 -0.01 0.00 -0.20 -0.04 1.41 1.16 1i2mB1 GLU 73 H -0.08 0.81 0.24 -0.55 8.60 9.03 1i2mB1 GLU 73 HA -0.10 0.18 0.98 -0.75 4.29 4.60 1i2mB1 GLU 73 HB2 -0.12 0.00 -0.03 -0.04 2.09 1.90 1i2mB1 GLU 73 HB3 -0.14 0.01 -0.11 -0.04 1.99 1.71 1i2mB1 GLU 73 HG2 -0.05 -0.09 -0.25 -0.04 2.34 1.90 1i2mB1 GLU 73 HG3 -0.08 0.09 -0.18 -0.04 2.34 2.14 1i2mB1 ALA 74 H -0.16 0.18 0.11 -0.55 8.40 7.97 1i2mB1 ALA 74 HA -0.16 0.16 0.94 -0.75 4.34 4.53 1i2mB1 ALA 74 HB3 -0.35 -0.00 -0.25 -0.04 1.41 0.77 1i2mB1 GLY 75 H -0.35 0.71 0.23 -0.55 8.43 8.48 1i2mB1 GLY 75 HA2 -0.22 0.29 0.55 -0.51 4.01 4.12 1i2mB1 GLY 75 HA3 -0.52 0.01 0.25 -0.51 4.01 3.25 1i2mB1 GLY 76 H 0.02 0.46 0.08 -0.55 8.43 8.45 1i2mB1 GLY 76 HA2 0.02 -0.01 0.45 -0.51 4.01 3.96 1i2mB1 GLY 76 HA3 0.04 0.00 0.41 -0.51 4.01 3.95 1i2mB1 MET 77 H 0.16 0.21 -0.03 -0.55 8.47 8.27 1i2mB1 MET 77 HA 0.01 0.12 0.74 -0.75 4.52 4.64 1i2mB1 MET 77 HB2 0.05 0.07 0.11 -0.04 2.15 2.33 1i2mB1 MET 77 HB3 0.02 -0.08 0.21 -0.04 2.03 2.13 1i2mB1 MET 77 HG2 0.05 -0.09 -0.50 -0.04 2.63 2.06 1i2mB1 MET 77 HG3 0.04 0.00 -0.03 -0.04 2.56 2.53 1i2mB1 MET 77 HE3 0.02 -0.01 -0.00 -0.04 2.10 2.07 1i2mB1 HIS 78 H 0.05 0.28 -0.13 -0.55 8.41 8.07 1i2mB1 HIS 78 HA -0.12 0.13 0.57 -0.75 4.63 4.46 1i2mB1 HIS 78 HB2 -0.07 0.18 -0.07 -0.04 3.26 3.26 1i2mB1 HIS 78 HB3 -0.04 -0.04 -0.24 -0.04 3.20 2.84 1i2mB1 HIS 78 HD2 -0.04 0.12 -0.38 -0.04 6.97 6.62 1i2mB1 HIS 78 HE1 -0.19 0.17 -0.12 -0.04 7.75 7.56 1i2mB1 THR 79 H -0.28 0.78 0.32 -0.55 8.28 8.56 1i2mB1 THR 79 HA -0.31 0.18 1.00 -0.75 4.39 4.51 1i2mB1 THR 79 HB -1.60 -0.01 -0.05 -0.04 4.32 2.61 1i2mB1 THR 79 HG23 -0.18 0.01 -0.24 -0.04 1.22 0.77 1i2mB1 VAL 80 H -0.24 0.72 0.26 -0.55 8.24 8.43 1i2mB1 VAL 80 HA -0.07 0.32 1.07 -0.75 4.13 4.70 1i2mB1 VAL 80 HB -0.09 -0.08 -0.03 -0.04 2.12 1.88 1i2mB1 VAL 80 HG13 0.11 0.02 -0.18 -0.04 0.97 0.87 1i2mB1 VAL 80 HG23 -0.02 -0.01 -0.30 -0.04 0.95 0.59 1i2mB1 CYS 81 H 0.09 0.74 0.32 -0.55 8.50 9.10 1i2mB1 CYS 81 HA 0.03 0.25 1.10 -0.75 4.58 5.20 1i2mB1 CYS 81 HB2 0.15 -0.06 0.01 -0.04 2.97 3.03 1i2mB1 CYS 81 HB3 0.06 0.03 -0.03 -0.04 2.97 2.98 1i2mB1 LEU 82 H 0.05 0.72 0.33 -0.55 8.37 8.92 1i2mB1 LEU 82 HA 0.12 0.22 0.94 -0.75 4.35 4.88 1i2mB1 LEU 82 HB2 0.04 -0.05 -0.15 -0.04 1.64 1.44 1i2mB1 LEU 82 HB3 0.03 -0.07 0.10 -0.04 1.64 1.66 1i2mB1 LEU 82 HG 0.04 0.14 -0.30 -0.04 1.64 1.48 1i2mB1 LEU 82 HD13 0.05 0.05 -0.25 -0.04 0.93 0.73 1i2mB1 LEU 82 HD23 -0.00 0.00 -0.42 -0.04 0.89 0.43 1i2mB1 SER 83 H 0.16 0.72 0.30 -0.55 8.46 9.09 1i2mB1 SER 83 HA 0.05 0.21 0.75 -0.75 4.49 4.74 1i2mB1 SER 83 HB2 0.09 0.03 0.14 -0.04 3.95 4.16 1i2mB1 SER 83 HB3 0.27 0.07 0.04 -0.04 3.93 4.27 1i2mB1 LYS 84 H 0.03 0.57 0.24 -0.55 8.42 8.71 1i2mB1 LYS 84 HA 0.03 0.16 0.34 -0.75 4.32 4.10 1i2mB1 LYS 84 HB2 0.02 0.00 0.02 -0.04 1.87 1.87 1i2mB1 LYS 84 HB3 0.02 -0.09 0.11 -0.04 1.79 1.79 1i2mB1 LYS 84 HG2 0.02 -0.03 0.02 -0.04 1.46 1.42 1i2mB1 LYS 84 HG3 0.02 -0.01 -0.08 -0.04 1.46 1.35 1i2mB1 LYS 84 HD2 0.02 0.03 0.12 -0.04 1.69 1.82 1i2mB1 LYS 84 HD3 0.02 0.04 -0.02 -0.04 1.68 1.68 1i2mB1 LYS 84 HE2 0.02 -0.05 0.06 -0.04 2.99 2.97 1i2mB1 LYS 84 HE3 0.02 -0.06 0.05 -0.04 2.99 2.97 1i2mB1 SER 85 H 0.05 -0.02 -0.25 -0.55 8.46 7.69 1i2mB1 SER 85 HA 0.02 0.20 0.60 -0.75 4.49 4.56 1i2mB1 SER 85 HB2 0.02 0.03 0.11 -0.04 3.95 4.07 1i2mB1 SER 85 HB3 0.03 -0.01 0.05 -0.04 3.93 3.96 1i2mB1 GLY 86 H 0.04 0.45 -0.39 -0.55 8.43 7.98 1i2mB1 GLY 86 HA2 0.03 0.31 0.34 -0.51 4.01 4.17 1i2mB1 GLY 86 HA3 0.01 0.05 0.74 -0.51 4.01 4.31 1i2mB1 GLN 87 H 0.07 -0.07 0.01 -0.55 8.47 7.94 1i2mB1 GLN 87 HA -0.04 0.26 0.91 -0.75 4.36 4.73 1i2mB1 GLN 87 HB2 0.12 -0.10 0.03 -0.04 2.15 2.16 1i2mB1 GLN 87 HB3 -0.16 0.06 0.04 -0.04 2.02 1.92 1i2mB1 GLN 87 HG2 -0.03 0.14 -0.11 -0.04 2.40 2.35 1i2mB1 GLN 87 HG3 0.03 -0.08 -0.19 -0.04 2.39 2.11 1i2mB1 GLN 87 HE21 0.03 -0.00 -0.04 -0.04 6.97 6.92 1i2mB1 GLN 87 HE22 0.05 -0.05 -0.05 -0.04 7.69 7.60 1i2mB1 VAL 88 H -0.10 0.22 0.25 -0.55 8.24 8.07 1i2mB1 VAL 88 HA 0.13 0.32 1.10 -0.75 4.13 4.92 1i2mB1 VAL 88 HB 0.01 -0.02 0.11 -0.04 2.12 2.18 1i2mB1 VAL 88 HG13 0.24 0.02 -0.18 -0.04 0.97 1.00 1i2mB1 VAL 88 HG23 0.12 0.01 -0.14 -0.04 0.95 0.89 1i2mB1 TYR 89 H 0.28 0.70 0.41 -0.55 8.29 9.13 1i2mB1 TYR 89 HA 0.06 0.29 0.98 -0.75 4.56 5.13 1i2mB1 TYR 89 HB2 0.11 -0.04 0.02 -0.04 3.06 3.12 1i2mB1 TYR 89 HB3 0.15 -0.01 -0.05 -0.04 2.98 3.03 1i2mB1 TYR 89 HD2 0.05 0.07 -0.28 -0.04 7.15 6.95 1i2mB1 TYR 89 HE2 0.01 -0.03 -0.13 -0.04 6.85 6.66 1i2mB1 SER 90 H 0.21 0.54 0.37 -0.55 8.46 9.04 1i2mB1 SER 90 HA -0.03 0.27 0.98 -0.75 4.49 4.96 1i2mB1 SER 90 HB2 0.15 -0.06 0.02 -0.04 3.95 4.02 1i2mB1 SER 90 HB3 0.18 -0.01 -0.18 -0.04 3.93 3.88 1i2mB1 PHE 91 H -0.25 0.53 0.28 -0.55 8.34 8.35 1i2mB1 PHE 91 HA 0.05 0.15 0.47 -0.75 4.62 4.53 1i2mB1 PHE 91 HB2 0.02 0.15 -0.15 -0.04 3.15 3.13 1i2mB1 PHE 91 HB3 0.04 0.16 -0.41 -0.04 3.06 2.81 1i2mB1 PHE 91 HD2 0.04 -0.01 -0.53 -0.04 7.28 6.73 1i2mB1 PHE 91 HE2 0.03 0.06 -0.38 -0.04 7.38 7.05 1i2mB1 PHE 91 HZ 0.01 -0.01 -0.27 -0.04 7.32 7.01 1i2mB1 GLY 92 H 0.16 0.67 0.24 -0.55 8.43 8.95 1i2mB1 GLY 92 HA2 0.07 -0.18 -0.19 -0.51 4.01 3.21 1i2mB1 GLY 92 HA3 0.08 0.07 0.88 -0.51 4.01 4.53 1i2mB1 CYS 93 H 0.03 0.53 0.23 -0.55 8.50 8.75 1i2mB1 CYS 93 HA 0.01 0.09 0.59 -0.75 4.58 4.52 1i2mB1 CYS 93 HB2 0.01 0.02 0.17 -0.04 2.97 3.14 1i2mB1 CYS 93 HB3 0.00 0.02 0.16 -0.04 2.97 3.11 1i2mB1 ASN 94 H 0.00 0.23 0.20 -0.55 8.53 8.42 1i2mB1 ASN 94 HA -0.03 0.03 0.78 -0.75 4.76 4.78 1i2mB1 ASN 94 HB2 0.01 0.19 -0.05 -0.04 2.88 2.98 1i2mB1 ASN 94 HB3 0.00 0.05 0.08 -0.04 2.79 2.89 1i2mB1 ASN 94 HD21 -0.02 0.19 0.09 -0.04 7.03 7.26 1i2mB1 ASN 94 HD22 -0.00 -0.04 0.04 -0.04 7.74 7.69 1i2mB1 ASP 95 H -0.01 0.14 -0.16 -0.55 8.40 7.82 1i2mB1 ASP 95 HA 0.00 0.14 0.42 -0.75 4.63 4.43 1i2mB1 ASP 95 HB2 0.00 -0.02 0.03 -0.04 2.71 2.68 1i2mB1 ASP 95 HB3 0.00 0.06 0.01 -0.04 2.70 2.73 1i2mB1 GLU 96 H -0.02 0.03 -0.27 -0.55 8.60 7.79 1i2mB1 GLU 96 HA -0.00 0.25 0.80 -0.75 4.29 4.59 1i2mB1 GLU 96 HB2 -0.03 0.02 0.03 -0.04 2.09 2.07 1i2mB1 GLU 96 HB3 -0.01 0.02 0.07 -0.04 1.99 2.02 1i2mB1 GLU 96 HG2 0.00 -0.10 -0.23 -0.04 2.34 1.97 1i2mB1 GLU 96 HG3 0.01 0.00 -0.09 -0.04 2.34 2.22 1i2mB1 GLY 97 H -0.01 0.19 -0.39 -0.55 8.43 7.68 1i2mB1 GLY 97 HA2 0.02 0.08 0.29 -0.51 4.01 3.89 1i2mB1 GLY 97 HA3 0.04 0.20 0.52 -0.51 4.01 4.26 1i2mB1 ALA 98 H -0.05 -0.05 -0.19 -0.55 8.40 7.56 1i2mB1 ALA 98 HA -0.02 0.15 0.03 -0.75 4.34 3.75 1i2mB1 ALA 98 HB3 -0.56 0.05 -0.19 -0.04 1.41 0.67 1i2mB1 LEU 99 H 0.03 -0.06 -0.43 -0.55 8.37 7.36 1i2mB1 LEU 99 HA 0.20 0.14 0.30 -0.75 4.35 4.24 1i2mB1 LEU 99 HB2 0.02 -0.05 -0.14 -0.04 1.64 1.44 1i2mB1 LEU 99 HB3 0.06 0.10 -0.19 -0.04 1.64 1.56 1i2mB1 LEU 99 HG 0.01 -0.14 -0.42 -0.04 1.64 1.04 1i2mB1 LEU 99 HD13 0.07 0.11 -0.15 -0.04 0.93 0.91 1i2mB1 LEU 99 HD23 0.08 -0.02 -0.58 -0.04 0.89 0.33 1i2mB1 GLY 100 H 0.09 0.28 -0.31 -0.55 8.43 7.95 1i2mB1 GLY 100 HA2 -0.38 0.30 0.26 -0.51 4.01 3.69 1i2mB1 GLY 100 HA3 -1.32 -0.01 0.20 -0.51 4.01 2.38 1i2mB1 ARG 101 H -0.10 0.12 -0.16 -0.55 8.46 7.76 1i2mB1 ARG 101 HA -0.16 0.05 0.52 -0.75 4.34 4.00 1i2mB1 ARG 101 HB2 -0.09 -0.05 0.07 -0.04 1.90 1.79 1i2mB1 ARG 101 HB3 -0.16 0.20 -0.15 -0.04 1.80 1.65 1i2mB1 ARG 101 HG2 -0.03 -0.08 -0.42 -0.04 1.67 1.10 1i2mB1 ARG 101 HG3 -0.03 -0.07 -0.45 -0.04 1.67 1.08 1i2mB1 ARG 101 HD2 -0.02 -0.06 -0.22 -0.04 3.22 2.88 1i2mB1 ARG 101 HD3 -0.04 0.11 -0.45 -0.04 3.22 2.81 1i2mB1 ASP 102 H -0.07 0.17 0.12 -0.55 8.40 8.07 1i2mB1 ASP 102 HA -0.04 0.05 0.58 -0.75 4.63 4.47 1i2mB1 ASP 102 HB2 -0.04 0.05 0.10 -0.04 2.71 2.77 1i2mB1 ASP 102 HB3 -0.04 0.05 0.19 -0.04 2.70 2.86 1i2mB1 THR 103 H -0.02 0.18 0.12 -0.55 8.28 8.02 1i2mB1 THR 103 HA -0.00 0.25 0.84 -0.75 4.39 4.72 1i2mB1 THR 103 HB 0.01 -0.09 0.10 -0.04 4.32 4.30 1i2mB1 THR 103 HG23 0.01 0.06 -0.32 -0.04 1.22 0.93 1i2mB1 SER 104 H -0.01 0.11 -0.21 -0.55 8.46 7.80 1i2mB1 SER 104 HA -0.01 0.07 0.38 -0.75 4.49 4.18 1i2mB1 SER 104 HB2 -0.01 -0.00 0.03 -0.04 3.95 3.93 1i2mB1 SER 104 HB3 -0.01 0.03 -0.01 -0.04 3.93 3.90 1i2mB1 VAL 105 H -0.01 0.07 -0.21 -0.55 8.24 7.54 1i2mB1 VAL 105 HA -0.00 0.05 0.52 -0.75 4.13 3.94 1i2mB1 VAL 105 HB -0.01 -0.00 0.04 -0.04 2.12 2.12 1i2mB1 VAL 105 HG13 -0.00 0.06 -0.09 -0.04 0.97 0.89 1i2mB1 VAL 105 HG23 -0.01 -0.00 0.00 -0.04 0.95 0.90 1i2mB1 GLU 106 H -0.00 0.12 0.19 -0.55 8.60 8.36 1i2mB1 GLU 106 HA 0.00 0.03 0.41 -0.75 4.29 3.98 1i2mB1 GLU 106 HB2 -0.00 0.05 0.16 -0.04 2.09 2.26 1i2mB1 GLU 106 HB3 -0.00 -0.01 0.17 -0.04 1.99 2.10 1i2mB1 GLU 106 HG2 -0.00 0.00 -0.28 -0.04 2.34 2.02 1i2mB1 GLU 106 HG3 0.00 -0.03 0.03 -0.04 2.34 2.30 1i2mB1 GLY 107 H 0.00 0.13 0.19 -0.55 8.43 8.21 1i2mB1 GLY 107 HA2 0.00 -0.01 0.38 -0.51 4.01 3.87 1i2mB1 GLY 107 HA3 -0.00 0.16 0.54 -0.51 4.01 4.20 1i2mB1 SER 108 H 0.00 0.59 -0.35 -0.55 8.46 8.16 1i2mB1 SER 108 HA 0.01 0.09 0.34 -0.75 4.49 4.17 1i2mB1 SER 108 HB2 0.01 0.06 0.07 -0.04 3.95 4.05 1i2mB1 SER 108 HB3 0.00 -0.04 0.04 -0.04 3.93 3.90 1i2mB1 GLU 109 H 0.02 -0.01 -0.31 -0.55 8.60 7.76 1i2mB1 GLU 109 HA 0.06 0.22 0.58 -0.75 4.29 4.40 1i2mB1 GLU 109 HB2 0.05 0.24 0.20 -0.04 2.09 2.53 1i2mB1 GLU 109 HB3 0.03 -0.06 0.08 -0.04 1.99 2.00 1i2mB1 GLU 109 HG2 0.03 0.06 -0.43 -0.04 2.34 1.96 1i2mB1 GLU 109 HG3 0.03 0.03 -0.06 -0.04 2.34 2.30 1i2mB1 MET 110 H 0.02 0.32 -0.34 -0.55 8.47 7.93 1i2mB1 MET 110 HA 0.04 0.07 0.61 -0.75 4.52 4.48 1i2mB1 MET 110 HB2 -0.01 0.08 -0.08 -0.04 2.15 2.10 1i2mB1 MET 110 HB3 -0.01 0.00 -0.20 -0.04 2.03 1.78 1i2mB1 MET 110 HG2 0.01 -0.14 -0.06 -0.04 2.63 2.41 1i2mB1 MET 110 HG3 0.00 -0.04 -0.04 -0.04 2.56 2.44 1i2mB1 MET 110 HE3 0.00 0.06 -0.13 -0.04 2.10 1.98 1i2mB1 VAL 111 H 0.02 0.33 -0.31 -0.55 8.24 7.72 1i2mB1 VAL 111 HA -0.17 0.19 0.75 -0.75 4.13 4.15 1i2mB1 VAL 111 HB -0.06 0.12 0.07 -0.04 2.12 2.20 1i2mB1 VAL 111 HG13 -0.05 -0.05 -0.20 -0.04 0.97 0.63 1i2mB1 VAL 111 HG23 -0.00 0.02 -0.11 -0.04 0.95 0.82 1i2mB1 PRO 112 HA 0.35 0.13 0.33 -0.51 4.44 4.75 1i2mB1 PRO 112 HB2 0.05 -0.01 0.06 -0.04 2.28 2.33 1i2mB1 PRO 112 HB3 0.19 -0.05 -0.03 -0.04 2.02 2.09 1i2mB1 PRO 112 HG2 -0.20 0.21 0.03 -0.04 2.03 2.02 1i2mB1 PRO 112 HG3 -0.65 -0.00 -0.03 -0.04 2.03 1.31 1i2mB1 PRO 112 HD2 -0.13 0.06 0.23 -0.04 3.68 3.80 1i2mB1 PRO 112 HD3 -0.35 0.31 0.28 -0.04 3.65 3.85 1i2mB1 GLY 113 H 0.25 0.34 0.38 -0.55 8.43 8.87 1i2mB1 GLY 113 HA2 0.09 0.06 0.81 -0.51 4.01 4.46 1i2mB1 GLY 113 HA3 0.06 0.08 0.34 -0.51 4.01 3.99 1i2mB1 LYS 114 H -0.05 0.08 0.15 -0.55 8.42 8.04 1i2mB1 LYS 114 HA -0.46 0.22 0.72 -0.75 4.32 4.05 1i2mB1 LYS 114 HB2 -0.30 -0.04 0.08 -0.04 1.87 1.57 1i2mB1 LYS 114 HB3 -0.17 -0.06 0.07 -0.04 1.79 1.58 1i2mB1 LYS 114 HG2 -0.27 0.10 -0.23 -0.04 1.46 1.03 1i2mB1 LYS 114 HG3 -0.55 0.05 0.05 -0.04 1.46 0.96 1i2mB1 LYS 114 HD2 -0.18 0.00 -0.03 -0.04 1.69 1.45 1i2mB1 LYS 114 HD3 -0.19 -0.03 -0.03 -0.04 1.68 1.40 1i2mB1 LYS 114 HE2 -0.11 -0.02 -0.04 -0.04 2.99 2.77 1i2mB1 LYS 114 HE3 -0.13 -0.02 -0.11 -0.04 2.99 2.68 1i2mB1 VAL 115 H -0.27 0.69 0.36 -0.55 8.24 8.48 1i2mB1 VAL 115 HA -0.26 0.19 0.72 -0.75 4.13 4.03 1i2mB1 VAL 115 HB -0.22 -0.11 0.14 -0.04 2.12 1.89 1i2mB1 VAL 115 HG13 -0.81 0.04 -0.19 -0.04 0.97 -0.03 1i2mB1 VAL 115 HG23 -0.09 0.05 -0.18 -0.04 0.95 0.69 1i2mB1 GLU 116 H -0.24 0.20 0.17 -0.55 8.60 8.19 1i2mB1 GLU 116 HA -0.18 0.01 0.48 -0.75 4.29 3.85 1i2mB1 GLU 116 HB2 -0.17 0.01 0.23 -0.04 2.09 2.13 1i2mB1 GLU 116 HB3 -0.14 -0.02 0.07 -0.04 1.99 1.85 1i2mB1 GLU 116 HG2 -0.11 -0.00 0.01 -0.04 2.34 2.19 1i2mB1 GLU 116 HG3 -0.13 0.04 0.01 -0.04 2.34 2.22 1i2mB1 LEU 117 H -0.19 0.28 0.19 -0.55 8.37 8.11 1i2mB1 LEU 117 HA -0.26 0.06 0.59 -0.75 4.35 3.99 1i2mB1 LEU 117 HB2 -0.34 0.08 -0.27 -0.04 1.64 1.07 1i2mB1 LEU 117 HB3 -0.22 0.04 0.13 -0.04 1.64 1.55 1i2mB1 LEU 117 HG -0.34 -0.06 -0.20 -0.04 1.64 1.00 1i2mB1 LEU 117 HD13 -0.88 -0.01 -0.10 -0.04 0.93 -0.09 1i2mB1 LEU 117 HD23 -0.14 0.00 -0.13 -0.04 0.89 0.58 1i2mB1 GLN 118 H -0.16 0.16 0.01 -0.55 8.47 7.93 1i2mB1 GLN 118 HA -0.10 0.13 0.55 -0.75 4.36 4.20 1i2mB1 GLN 118 HB2 -0.08 -0.01 0.18 -0.04 2.15 2.20 1i2mB1 GLN 118 HB3 -0.06 0.02 0.17 -0.04 2.02 2.11 1i2mB1 GLN 118 HG2 -0.07 0.04 0.00 -0.04 2.40 2.32 1i2mB1 GLN 118 HG3 -0.09 -0.04 0.00 -0.04 2.39 2.23 1i2mB1 GLN 118 HE21 -0.04 -0.01 0.00 -0.04 6.97 6.89 1i2mB1 GLN 118 HE22 -0.05 -0.01 -0.01 -0.04 7.69 7.58 1i2mB1 GLU 119 H -0.12 0.78 0.05 -0.55 8.60 8.76 1i2mB1 GLU 119 HA -0.05 0.11 0.72 -0.75 4.29 4.32 1i2mB1 GLU 119 HB2 -0.18 0.03 -0.20 -0.04 2.09 1.71 1i2mB1 GLU 119 HB3 -0.04 -0.06 -0.06 -0.04 1.99 1.79 1i2mB1 GLU 119 HG2 -0.30 -0.14 -0.69 -0.04 2.34 1.16 1i2mB1 GLU 119 HG3 -0.53 -0.01 -0.22 -0.04 2.34 1.54 1i2mB1 LYS 120 H -0.00 0.09 0.13 -0.55 8.42 8.08 1i2mB1 LYS 120 HA -0.01 0.29 0.90 -0.75 4.32 4.75 1i2mB1 LYS 120 HB2 0.00 -0.01 0.12 -0.04 1.87 1.94 1i2mB1 LYS 120 HB3 0.01 -0.14 0.26 -0.04 1.79 1.88 1i2mB1 LYS 120 HG2 0.01 0.02 -0.17 -0.04 1.46 1.28 1i2mB1 LYS 120 HG3 0.01 0.19 0.03 -0.04 1.46 1.65 1i2mB1 LYS 120 HD2 0.01 -0.04 0.03 -0.04 1.69 1.65 1i2mB1 LYS 120 HD3 0.02 -0.05 0.02 -0.04 1.68 1.63 1i2mB1 LYS 120 HE2 0.02 0.08 -0.05 -0.04 2.99 2.99 1i2mB1 LYS 120 HE3 0.02 -0.05 -0.00 -0.04 2.99 2.91 1i2mB1 VAL 121 H 0.00 0.62 0.27 -0.55 8.24 8.58 1i2mB1 VAL 121 HA 0.02 0.07 0.66 -0.75 4.13 4.13 1i2mB1 VAL 121 HB 0.03 0.06 -0.03 -0.04 2.12 2.13 1i2mB1 VAL 121 HG13 0.04 -0.01 -0.19 -0.04 0.97 0.77 1i2mB1 VAL 121 HG23 0.04 0.00 -0.20 -0.04 0.95 0.75 1i2mB1 VAL 122 H -0.04 0.69 0.34 -0.55 8.24 8.69 1i2mB1 VAL 122 HA -0.04 0.25 0.97 -0.75 4.13 4.55 1i2mB1 VAL 122 HB -0.18 0.01 0.08 -0.04 2.12 1.98 1i2mB1 VAL 122 HG13 0.01 0.01 -0.14 -0.04 0.97 0.81 1i2mB1 VAL 122 HG23 -0.18 0.02 -0.24 -0.04 0.95 0.50 1i2mB1 GLN 123 H -0.07 0.21 0.19 -0.55 8.47 8.25 1i2mB1 GLN 123 HA -0.07 0.11 0.53 -0.75 4.36 4.18 1i2mB1 GLN 123 HB2 -0.32 0.17 -0.16 -0.04 2.15 1.80 1i2mB1 GLN 123 HB3 -0.16 -0.11 -0.09 -0.04 2.02 1.62 1i2mB1 GLN 123 HG2 -0.05 0.02 -0.17 -0.04 2.40 2.17 1i2mB1 GLN 123 HG3 -0.03 0.05 0.13 -0.04 2.39 2.50 1i2mB1 GLN 123 HE21 0.14 -0.10 -0.07 -0.04 6.97 6.90 1i2mB1 GLN 123 HE22 0.09 0.15 -0.06 -0.04 7.69 7.83 1i2mB1 VAL 124 H -0.03 0.26 0.16 -0.55 8.24 8.08 1i2mB1 VAL 124 HA -0.04 0.27 0.99 -0.75 4.13 4.59 1i2mB1 VAL 124 HB -0.04 0.07 0.03 -0.04 2.12 2.13 1i2mB1 VAL 124 HG13 0.06 -0.02 -0.26 -0.04 0.97 0.71 1i2mB1 VAL 124 HG23 -0.02 -0.02 -0.23 -0.04 0.95 0.64 1i2mB1 SER 125 H -0.13 0.59 0.32 -0.55 8.46 8.68 1i2mB1 SER 125 HA -0.10 0.16 0.62 -0.75 4.49 4.42 1i2mB1 SER 125 HB2 -0.09 -0.08 -0.01 -0.04 3.95 3.73 1i2mB1 SER 125 HB3 -0.07 0.16 -0.40 -0.04 3.93 3.58 1i2mB1 ALA 126 H -0.17 0.30 0.14 -0.55 8.40 8.12 1i2mB1 ALA 126 HA -0.34 0.16 0.98 -0.75 4.34 4.39 1i2mB1 ALA 126 HB3 -0.31 0.02 -0.21 -0.04 1.41 0.87 1i2mB1 GLY 127 H -0.66 0.57 0.20 -0.55 8.43 8.00 1i2mB1 GLY 127 HA2 -0.17 0.32 0.84 -0.51 4.01 4.49 1i2mB1 GLY 127 HA3 -0.36 0.06 0.45 -0.51 4.01 3.66 1i2mB1 ASP 128 H 0.05 0.82 0.52 -0.55 8.40 9.24 1i2mB1 ASP 128 HA 0.04 -0.14 0.76 -0.75 4.63 4.54 1i2mB1 ASP 128 HB2 0.09 0.19 0.27 -0.04 2.71 3.22 1i2mB1 ASP 128 HB3 0.06 -0.02 0.05 -0.04 2.70 2.75 1i2mB1 SER 129 H 0.08 0.17 0.18 -0.55 8.46 8.34 1i2mB1 SER 129 HA -0.09 0.16 0.87 -0.75 4.49 4.68 1i2mB1 SER 129 HB2 0.03 0.16 -0.01 -0.04 3.95 4.10 1i2mB1 SER 129 HB3 -0.02 -0.09 0.12 -0.04 3.93 3.90 1i2mB1 HIS 130 H -0.16 0.00 0.03 -0.55 8.41 7.73 1i2mB1 HIS 130 HA -0.29 0.34 1.07 -0.75 4.63 5.00 1i2mB1 HIS 130 HB2 -0.47 0.13 -0.03 -0.04 3.26 2.86 1i2mB1 HIS 130 HB3 -0.54 0.08 -0.23 -0.04 3.20 2.47 1i2mB1 HIS 130 HD2 -0.19 0.06 -0.46 -0.04 6.97 6.34 1i2mB1 HIS 130 HE1 0.09 0.10 -0.20 -0.04 7.75 7.69 1i2mB1 THR 131 H -0.56 0.58 0.29 -0.55 8.28 8.05 1i2mB1 THR 131 HA -0.43 0.17 0.93 -0.75 4.39 4.30 1i2mB1 THR 131 HB -2.05 -0.02 -0.05 -0.04 4.32 2.16 1i2mB1 THR 131 HG23 -0.38 0.01 -0.15 -0.04 1.22 0.67 1i2mB1 ALA 132 H -0.34 0.68 0.31 -0.55 8.40 8.51 1i2mB1 ALA 132 HA -0.34 0.32 1.08 -0.75 4.34 4.65 1i2mB1 ALA 132 HB3 -0.06 -0.03 -0.10 -0.04 1.41 1.18 1i2mB1 ALA 133 H 0.02 0.70 0.33 -0.55 8.40 8.91 1i2mB1 ALA 133 HA 0.02 0.25 1.03 -0.75 4.34 4.90 1i2mB1 ALA 133 HB3 0.29 -0.01 -0.09 -0.04 1.41 1.56 1i2mB1 LEU 134 H 0.02 0.82 0.32 -0.55 8.37 8.99 1i2mB1 LEU 134 HA 0.07 0.25 0.93 -0.75 4.35 4.85 1i2mB1 LEU 134 HB2 -0.01 -0.06 -0.17 -0.04 1.64 1.36 1i2mB1 LEU 134 HB3 -0.05 -0.05 0.09 -0.04 1.64 1.58 1i2mB1 LEU 134 HG 0.01 0.13 -0.29 -0.04 1.64 1.45 1i2mB1 LEU 134 HD13 0.03 0.07 -0.27 -0.04 0.93 0.72 1i2mB1 LEU 134 HD23 0.03 -0.01 -0.44 -0.04 0.89 0.42 1i2mB1 THR 135 H 0.12 0.70 0.29 -0.55 8.28 8.84 1i2mB1 THR 135 HA 0.06 0.20 0.64 -0.75 4.39 4.53 1i2mB1 THR 135 HB 0.09 0.00 0.12 -0.04 4.32 4.49 1i2mB1 THR 135 HG23 0.29 0.07 -0.10 -0.04 1.22 1.45 1i2mB1 ASP 136 H 0.04 0.59 0.34 -0.55 8.40 8.83 1i2mB1 ASP 136 HA 0.04 0.14 0.40 -0.75 4.63 4.46 1i2mB1 ASP 136 HB2 0.04 0.12 0.13 -0.04 2.71 2.96 1i2mB1 ASP 136 HB3 0.03 0.07 0.12 -0.04 2.70 2.88 1i2mB1 ASP 137 H 0.06 -0.05 -0.37 -0.55 8.40 7.49 1i2mB1 ASP 137 HA 0.04 0.26 0.92 -0.75 4.63 5.10 1i2mB1 ASP 137 HB2 0.03 0.03 0.16 -0.04 2.71 2.89 1i2mB1 ASP 137 HB3 0.04 0.03 0.03 -0.04 2.70 2.75 1i2mB1 GLY 138 H 0.06 0.61 -0.20 -0.55 8.43 8.34 1i2mB1 GLY 138 HA2 0.04 0.33 0.37 -0.51 4.01 4.25 1i2mB1 GLY 138 HA3 0.03 0.03 0.65 -0.51 4.01 4.21 1i2mB1 ARG 139 H 0.06 -0.03 -0.04 -0.55 8.46 7.90 1i2mB1 ARG 139 HA -0.04 0.22 0.81 -0.75 4.34 4.58 1i2mB1 ARG 139 HB2 0.12 -0.11 0.04 -0.04 1.90 1.92 1i2mB1 ARG 139 HB3 -0.09 0.04 -0.04 -0.04 1.80 1.67 1i2mB1 ARG 139 HG2 -0.05 0.05 -0.01 -0.04 1.67 1.62 1i2mB1 ARG 139 HG3 -0.00 0.07 -0.19 -0.04 1.67 1.50 1i2mB1 ARG 139 HD2 0.03 0.04 -0.06 -0.04 3.22 3.19 1i2mB1 ARG 139 HD3 0.07 -0.07 -0.08 -0.04 3.22 3.09 1i2mB1 VAL 140 H -0.12 0.25 0.21 -0.55 8.24 8.02 1i2mB1 VAL 140 HA 0.05 0.34 1.14 -0.75 4.13 4.90 1i2mB1 VAL 140 HB -0.07 -0.03 0.10 -0.04 2.12 2.08 1i2mB1 VAL 140 HG13 -0.01 -0.00 -0.25 -0.04 0.97 0.67 1i2mB1 VAL 140 HG23 -0.03 0.02 -0.20 -0.04 0.95 0.70 1i2mB1 PHE 141 H 0.27 0.74 0.37 -0.55 8.34 9.16 1i2mB1 PHE 141 HA 0.10 0.22 0.90 -0.75 4.62 5.09 1i2mB1 PHE 141 HB2 0.23 0.02 0.03 -0.04 3.15 3.38 1i2mB1 PHE 141 HB3 0.32 -0.01 -0.12 -0.04 3.06 3.21 1i2mB1 PHE 141 HD2 0.08 0.02 -0.38 -0.04 7.28 6.96 1i2mB1 PHE 141 HE2 0.02 -0.02 -0.16 -0.04 7.38 7.18 1i2mB1 PHE 141 HZ 0.02 0.00 -0.11 -0.04 7.32 7.19 1i2mB1 LEU 142 H 0.27 0.67 0.36 -0.55 8.37 9.13 1i2mB1 LEU 142 HA -0.14 0.32 1.01 -0.75 4.35 4.79 1i2mB1 LEU 142 HB2 -0.00 -0.03 -0.30 -0.04 1.64 1.27 1i2mB1 LEU 142 HB3 0.04 0.01 -0.04 -0.04 1.64 1.61 1i2mB1 LEU 142 HG -0.13 -0.02 -0.24 -0.04 1.64 1.21 1i2mB1 LEU 142 HD13 -0.13 0.07 -0.17 -0.04 0.93 0.66 1i2mB1 LEU 142 HD23 0.02 -0.01 -0.23 -0.04 0.89 0.63 1i2mB1 TRP 143 H -0.35 0.51 0.30 -0.55 7.97 7.89 1i2mB1 TRP 143 HA -0.03 0.11 0.52 -0.75 4.62 4.46 1i2mB1 TRP 143 HB2 -0.03 0.11 -0.19 -0.04 3.23 3.08 1i2mB1 TRP 143 HB3 0.01 0.00 -0.51 -0.04 3.23 2.69 1i2mB1 TRP 143 HD1 -0.06 0.14 -0.34 -0.04 7.22 6.91 1i2mB1 TRP 143 HE1 -0.03 0.19 -0.45 -0.04 10.20 9.88 1i2mB1 TRP 143 HE3 0.07 -0.12 -0.53 -0.04 7.59 6.96 1i2mB1 TRP 143 HZ2 -0.01 0.02 -0.24 -0.04 7.44 7.17 1i2mB1 TRP 143 HZ3 0.06 -0.06 -0.29 -0.04 7.13 6.80 1i2mB1 TRP 143 HH2 -0.01 -0.02 -0.24 -0.04 7.19 6.87 1i2mB1 GLY 144 H 0.17 0.77 0.32 -0.55 8.43 9.14 1i2mB1 GLY 144 HA2 0.04 0.04 0.20 -0.51 4.01 3.78 1i2mB1 GLY 144 HA3 -0.05 0.20 0.83 -0.51 4.01 4.48 1i2mB1 SER 145 H -0.13 0.65 0.12 -0.55 8.46 8.56 1i2mB1 SER 145 HA -0.21 0.10 0.36 -0.75 4.49 3.99 1i2mB1 SER 145 HB2 -0.03 0.06 -0.23 -0.04 3.95 3.71 1i2mB1 SER 145 HB3 -0.02 -0.06 -0.12 -0.04 3.93 3.69 1i2mB1 PHE 146 H 0.03 0.61 0.20 -0.55 8.34 8.61 1i2mB1 PHE 146 HA 0.04 0.10 0.89 -0.75 4.62 4.90 1i2mB1 PHE 146 HB2 -0.01 0.09 0.05 -0.04 3.15 3.24 1i2mB1 PHE 146 HB3 0.01 -0.00 0.09 -0.04 3.06 3.12 1i2mB1 PHE 146 HD2 -0.08 0.01 -0.07 -0.04 7.28 7.10 1i2mB1 PHE 146 HE2 -0.65 0.09 -0.27 -0.04 7.38 6.52 1i2mB1 PHE 146 HZ -0.32 0.02 -0.26 -0.04 7.32 6.72 1i2mB1 ARG 147 H 0.22 0.23 0.23 -0.55 8.46 8.59 1i2mB1 ARG 147 HA 0.10 0.17 0.91 -0.75 4.34 4.77 1i2mB1 ARG 147 HB2 0.11 -0.02 -0.01 -0.04 1.90 1.94 1i2mB1 ARG 147 HB3 0.08 0.06 -0.05 -0.04 1.80 1.85 1i2mB1 ARG 147 HG2 0.06 -0.03 -0.24 -0.04 1.67 1.41 1i2mB1 ARG 147 HG3 0.08 -0.03 -0.50 -0.04 1.67 1.18 1i2mB1 ARG 147 HD2 0.04 0.01 -0.13 -0.04 3.22 3.10 1i2mB1 ARG 147 HD3 0.07 -0.01 -0.12 -0.04 3.22 3.11 1i2mB1 ASP 148 H 0.07 0.60 0.27 -0.55 8.40 8.79 1i2mB1 ASP 148 HA 0.07 0.19 0.85 -0.75 4.63 4.99 1i2mB1 ASP 148 HB2 0.04 -0.08 0.22 -0.04 2.71 2.85 1i2mB1 ASP 148 HB3 0.05 0.07 -0.03 -0.04 2.70 2.75 1i2mB1 ASN 149 H 0.03 0.15 0.14 -0.55 8.53 8.30 1i2mB1 ASN 149 HA 0.03 0.15 0.45 -0.75 4.76 4.64 1i2mB1 ASN 149 HB2 0.01 -0.04 0.13 -0.04 2.88 2.94 1i2mB1 ASN 149 HB3 0.02 0.03 0.09 -0.04 2.79 2.88 1i2mB1 ASN 149 HD21 0.01 0.02 0.05 -0.04 7.03 7.07 1i2mB1 ASN 149 HD22 0.01 -0.00 0.04 -0.04 7.74 7.75 1i2mB1 ASN 150 H 0.04 -0.04 -0.70 -0.55 8.53 7.28 1i2mB1 ASN 150 HA 0.03 0.22 0.78 -0.75 4.76 5.03 1i2mB1 ASN 150 HB2 0.03 -0.04 -0.09 -0.04 2.88 2.73 1i2mB1 ASN 150 HB3 0.02 0.04 0.10 -0.04 2.79 2.91 1i2mB1 ASN 150 HD21 0.02 0.02 -0.09 -0.04 7.03 6.93 1i2mB1 ASN 150 HD22 0.02 -0.02 -0.11 -0.04 7.74 7.59 1i2mB1 GLY 151 H 0.04 0.27 0.05 -0.55 8.43 8.25 1i2mB1 GLY 151 HA2 0.04 0.03 0.29 -0.51 4.01 3.87 1i2mB1 GLY 151 HA3 0.03 0.28 0.96 -0.51 4.01 4.78 1i2mB1 VAL 152 H 0.04 0.16 0.15 -0.55 8.24 8.04 1i2mB1 VAL 152 HA 0.06 0.11 0.56 -0.75 4.13 4.11 1i2mB1 VAL 152 HB 0.03 0.05 0.12 -0.04 2.12 2.28 1i2mB1 VAL 152 HG13 0.03 0.01 -0.17 -0.04 0.97 0.81 1i2mB1 VAL 152 HG23 0.03 0.01 0.03 -0.04 0.95 0.97 1i2mB1 ILE 153 H 0.09 0.61 0.38 -0.55 8.25 8.78 1i2mB1 ILE 153 HA 0.05 0.20 0.91 -0.75 4.18 4.58 1i2mB1 ILE 153 HB 0.05 -0.03 0.05 -0.04 1.89 1.93 1i2mB1 ILE 153 HG12 0.14 0.02 -0.31 -0.04 1.49 1.29 1i2mB1 ILE 153 HG13 0.16 0.20 -0.30 -0.04 1.21 1.22 1i2mB1 ILE 153 HG23 0.05 0.01 -0.13 -0.04 0.93 0.82 1i2mB1 ILE 153 HD13 0.04 -0.03 -0.26 -0.04 0.88 0.59 1i2mB1 GLY 154 H 0.07 0.08 0.07 -0.55 8.43 8.11 1i2mB1 GLY 154 HA2 0.04 -0.00 -0.06 -0.51 4.01 3.48 1i2mB1 GLY 154 HA3 0.06 0.22 0.78 -0.51 4.01 4.56 1i2mB1 LEU 155 H 0.04 0.44 0.18 -0.55 8.37 8.49 1i2mB1 LEU 155 HA -0.03 0.09 0.83 -0.75 4.35 4.48 1i2mB1 LEU 155 HB2 -0.07 0.07 0.07 -0.04 1.64 1.67 1i2mB1 LEU 155 HB3 0.00 -0.10 0.21 -0.04 1.64 1.71 1i2mB1 LEU 155 HG -0.05 0.05 -0.32 -0.04 1.64 1.28 1i2mB1 LEU 155 HD13 -0.53 -0.01 -0.48 -0.04 0.93 -0.14 1i2mB1 LEU 155 HD23 0.01 0.01 -0.25 -0.04 0.89 0.63 1i2mB1 LEU 156 H 0.04 0.08 0.18 -0.55 8.37 8.12 1i2mB1 LEU 156 HA 0.08 0.38 0.86 -0.75 4.35 4.91 1i2mB1 LEU 156 HB2 0.03 -0.05 0.03 -0.04 1.64 1.62 1i2mB1 LEU 156 HB3 0.03 0.02 0.05 -0.04 1.64 1.70 1i2mB1 LEU 156 HG 0.04 -0.09 -0.25 -0.04 1.64 1.30 1i2mB1 LEU 156 HD13 0.02 -0.00 -0.15 -0.04 0.93 0.76 1i2mB1 LEU 156 HD23 0.05 0.05 -0.05 -0.04 0.89 0.90 1i2mB1 GLU 157 H 0.04 0.01 0.15 -0.55 8.60 8.25 1i2mB1 GLU 157 HA 0.02 0.24 0.81 -0.75 4.29 4.61 1i2mB1 GLU 157 HB2 0.02 -0.02 0.05 -0.04 2.09 2.10 1i2mB1 GLU 157 HB3 0.02 0.05 0.05 -0.04 1.99 2.06 1i2mB1 GLU 157 HG2 0.02 0.12 -0.17 -0.04 2.34 2.26 1i2mB1 GLU 157 HG3 0.02 -0.11 -0.16 -0.04 2.34 2.06 1i2mB1 PRO 158 HA 0.03 0.15 0.42 -0.51 4.44 4.53 1i2mB1 PRO 158 HB2 0.01 0.03 0.04 -0.04 2.28 2.32 1i2mB1 PRO 158 HB3 0.01 -0.02 0.07 -0.04 2.02 2.05 1i2mB1 PRO 158 HG2 0.00 0.03 0.05 -0.04 2.03 2.08 1i2mB1 PRO 158 HG3 0.01 -0.01 -0.06 -0.04 2.03 1.93 1i2mB1 PRO 158 HD2 0.01 0.11 0.15 -0.04 3.68 3.91 1i2mB1 PRO 158 HD3 0.02 0.23 0.15 -0.04 3.65 4.01 1i2mB1 MET 159 H 0.03 0.52 0.07 -0.55 8.47 8.54 1i2mB1 MET 159 HA 0.03 -0.04 -0.04 -0.75 4.52 3.72 1i2mB1 MET 159 HB2 0.01 0.15 -0.13 -0.04 2.15 2.14 1i2mB1 MET 159 HB3 0.02 -0.03 0.13 -0.04 2.03 2.11 1i2mB1 MET 159 HG2 0.01 -0.08 -0.22 -0.04 2.63 2.31 1i2mB1 MET 159 HG3 0.01 0.00 -0.06 -0.04 2.56 2.47 1i2mB1 MET 159 HE3 0.02 -0.01 0.02 -0.04 2.10 2.09 1i2mB1 LYS 160 H 0.03 0.35 -0.40 -0.55 8.42 7.85 1i2mB1 LYS 160 HA 0.02 0.12 1.02 -0.75 4.32 4.73 1i2mB1 LYS 160 HB2 0.02 -0.02 -0.01 -0.04 1.87 1.82 1i2mB1 LYS 160 HB3 0.02 0.04 -0.01 -0.04 1.79 1.80 1i2mB1 LYS 160 HG2 0.01 0.02 -0.02 -0.04 1.46 1.43 1i2mB1 LYS 160 HG3 0.02 0.17 -0.46 -0.04 1.46 1.15 1i2mB1 LYS 160 HD2 0.01 -0.03 -0.07 -0.04 1.69 1.56 1i2mB1 LYS 160 HD3 0.01 -0.03 -0.03 -0.04 1.68 1.59 1i2mB1 LYS 160 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.92 1i2mB1 LYS 160 HE3 0.01 0.03 -0.06 -0.04 2.99 2.93 1i2mB1 LYS 161 H 0.01 0.14 0.11 -0.55 8.42 8.13 1i2mB1 LYS 161 HA -0.00 0.14 0.71 -0.75 4.32 4.41 1i2mB1 LYS 161 HB2 0.00 0.25 -0.07 -0.04 1.87 2.01 1i2mB1 LYS 161 HB3 0.00 -0.13 -0.02 -0.04 1.79 1.60 1i2mB1 LYS 161 HG2 0.01 -0.05 0.04 -0.04 1.46 1.41 1i2mB1 LYS 161 HG3 0.01 -0.03 -0.35 -0.04 1.46 1.05 1i2mB1 LYS 161 HD2 0.01 0.10 -0.21 -0.04 1.69 1.54 1i2mB1 LYS 161 HD3 0.01 -0.06 -0.03 -0.04 1.68 1.56 1i2mB1 LYS 161 HE2 0.01 -0.02 -0.04 -0.04 2.99 2.90 1i2mB1 LYS 161 HE3 0.01 -0.04 -0.14 -0.04 2.99 2.78 1i2mB1 SER 162 H 0.02 0.67 0.31 -0.55 8.46 8.92 1i2mB1 SER 162 HA 0.03 0.11 0.96 -0.75 4.49 4.84 1i2mB1 SER 162 HB2 0.05 -0.01 -0.05 -0.04 3.95 3.90 1i2mB1 SER 162 HB3 0.09 -0.00 0.19 -0.04 3.93 4.17 1i2mB1 MET 163 H 0.02 0.17 0.12 -0.55 8.47 8.22 1i2mB1 MET 163 HA 0.03 0.07 0.60 -0.75 4.52 4.48 1i2mB1 MET 163 HB2 -0.02 0.02 0.01 -0.04 2.15 2.12 1i2mB1 MET 163 HB3 -0.02 -0.01 0.06 -0.04 2.03 2.01 1i2mB1 MET 163 HG2 0.00 0.01 -0.03 -0.04 2.63 2.57 1i2mB1 MET 163 HG3 -0.01 0.00 -0.03 -0.04 2.56 2.49 1i2mB1 MET 163 HE3 -0.00 0.03 -0.00 -0.04 2.10 2.08 1i2mB1 VAL 164 H 0.01 0.04 -0.17 -0.55 8.24 7.56 1i2mB1 VAL 164 HA -0.22 0.27 0.88 -0.75 4.13 4.31 1i2mB1 VAL 164 HB -0.10 0.14 0.05 -0.04 2.12 2.17 1i2mB1 VAL 164 HG13 -0.09 -0.03 -0.20 -0.04 0.97 0.61 1i2mB1 VAL 164 HG23 -0.01 -0.02 -0.09 -0.04 0.95 0.79 1i2mB1 PRO 165 HA 0.42 0.15 0.31 -0.51 4.44 4.81 1i2mB1 PRO 165 HB2 -0.08 -0.02 0.02 -0.04 2.28 2.16 1i2mB1 PRO 165 HB3 0.14 -0.02 -0.08 -0.04 2.02 2.02 1i2mB1 PRO 165 HG2 -0.58 0.12 -0.06 -0.04 2.03 1.48 1i2mB1 PRO 165 HG3 -1.41 0.05 -0.08 -0.04 2.03 0.54 1i2mB1 PRO 165 HD2 -0.26 0.10 0.20 -0.04 3.68 3.68 1i2mB1 PRO 165 HD3 -0.51 0.19 0.20 -0.04 3.65 3.49 1i2mB1 VAL 166 H 0.33 0.62 0.40 -0.55 8.24 9.05 1i2mB1 VAL 166 HA 0.17 0.11 0.87 -0.75 4.13 4.54 1i2mB1 VAL 166 HB 0.06 0.02 0.03 -0.04 2.12 2.18 1i2mB1 VAL 166 HG13 0.08 0.03 -0.11 -0.04 0.97 0.92 1i2mB1 VAL 166 HG23 0.10 0.04 0.06 -0.04 0.95 1.11 1i2mB1 GLN 167 H -0.01 0.11 0.12 -0.55 8.47 8.15 1i2mB1 GLN 167 HA -0.67 0.19 0.75 -0.75 4.36 3.87 1i2mB1 GLN 167 HB2 -0.59 -0.04 0.03 -0.04 2.15 1.51 1i2mB1 GLN 167 HB3 -0.21 -0.04 0.03 -0.04 2.02 1.75 1i2mB1 GLN 167 HG2 -0.35 0.21 -0.15 -0.04 2.40 2.07 1i2mB1 GLN 167 HG3 -0.97 -0.03 -0.06 -0.04 2.39 1.28 1i2mB1 GLN 167 HE21 -0.08 -0.02 -0.03 -0.04 6.97 6.80 1i2mB1 GLN 167 HE22 -0.15 0.13 -0.01 -0.04 7.69 7.62 1i2mB1 VAL 168 H -0.25 0.80 0.38 -0.55 8.24 8.62 1i2mB1 VAL 168 HA -0.06 0.06 0.60 -0.75 4.13 3.98 1i2mB1 VAL 168 HB -0.10 -0.05 0.13 -0.04 2.12 2.06 1i2mB1 VAL 168 HG13 -0.04 0.01 -0.18 -0.04 0.97 0.72 1i2mB1 VAL 168 HG23 -0.03 0.01 -0.14 -0.04 0.95 0.75 1i2mB1 GLN 169 H -0.05 0.16 0.14 -0.55 8.47 8.17 1i2mB1 GLN 169 HA -0.08 0.05 0.53 -0.75 4.36 4.11 1i2mB1 GLN 169 HB2 -0.03 0.01 0.19 -0.04 2.15 2.28 1i2mB1 GLN 169 HB3 -0.04 -0.01 -0.01 -0.04 2.02 1.92 1i2mB1 GLN 169 HG2 -0.04 0.07 0.05 -0.04 2.40 2.43 1i2mB1 GLN 169 HG3 -0.03 -0.02 0.02 -0.04 2.39 2.32 1i2mB1 GLN 169 HE21 -0.07 -0.04 -0.11 -0.04 6.97 6.71 1i2mB1 GLN 169 HE22 -0.07 0.15 -0.13 -0.04 7.69 7.60 1i2mB1 LEU 170 H -0.09 0.31 0.27 -0.55 8.37 8.32 1i2mB1 LEU 170 HA -0.12 0.13 0.75 -0.75 4.35 4.36 1i2mB1 LEU 170 HB2 -0.14 0.06 0.06 -0.04 1.64 1.58 1i2mB1 LEU 170 HB3 -0.22 -0.06 0.02 -0.04 1.64 1.34 1i2mB1 LEU 170 HG -0.14 -0.01 -0.52 -0.04 1.64 0.93 1i2mB1 LEU 170 HD13 -0.24 -0.01 -0.13 -0.04 0.93 0.51 1i2mB1 LEU 170 HD23 -0.36 0.02 -0.01 -0.04 0.89 0.51 1i2mB1 ASP 171 H -0.09 0.17 0.08 -0.55 8.40 8.02 1i2mB1 ASP 171 HA -0.04 0.20 0.75 -0.75 4.63 4.78 1i2mB1 ASP 171 HB2 -0.02 0.01 0.17 -0.04 2.71 2.83 1i2mB1 ASP 171 HB3 -0.02 0.01 0.07 -0.04 2.70 2.72 1i2mB1 VAL 172 H -0.10 0.18 -0.37 -0.55 8.24 7.39 1i2mB1 VAL 172 HA -0.02 0.21 0.79 -0.75 4.13 4.35 1i2mB1 VAL 172 HB -0.01 0.01 0.06 -0.04 2.12 2.13 1i2mB1 VAL 172 HG13 -0.00 -0.02 -0.23 -0.04 0.97 0.67 1i2mB1 VAL 172 HG23 -0.14 -0.02 -0.15 -0.04 0.95 0.60 1i2mB1 PRO 173 HA -0.01 0.21 0.56 -0.51 4.44 4.69 1i2mB1 PRO 173 HB2 0.02 -0.08 0.03 -0.04 2.28 2.21 1i2mB1 PRO 173 HB3 0.02 0.17 0.07 -0.04 2.02 2.24 1i2mB1 PRO 173 HG2 0.02 0.03 0.07 -0.04 2.03 2.11 1i2mB1 PRO 173 HG3 0.01 0.09 0.04 -0.04 2.03 2.13 1i2mB1 PRO 173 HD2 0.01 0.01 0.22 -0.04 3.68 3.87 1i2mB1 PRO 173 HD3 -0.00 0.16 0.21 -0.04 3.65 3.98 1i2mB1 VAL 174 H -0.00 0.57 0.38 -0.55 8.24 8.65 1i2mB1 VAL 174 HA -0.00 0.07 0.84 -0.75 4.13 4.28 1i2mB1 VAL 174 HB -0.01 0.04 -0.04 -0.04 2.12 2.07 1i2mB1 VAL 174 HG13 -0.01 -0.01 -0.25 -0.04 0.97 0.66 1i2mB1 VAL 174 HG23 -0.07 0.01 -0.16 -0.04 0.95 0.69 1i2mB1 VAL 175 H 0.02 0.73 0.28 -0.55 8.24 8.72 1i2mB1 VAL 175 HA 0.12 0.20 0.90 -0.75 4.13 4.60 1i2mB1 VAL 175 HB 0.08 0.07 -0.04 -0.04 2.12 2.18 1i2mB1 VAL 175 HG13 0.07 -0.03 -0.19 -0.04 0.97 0.78 1i2mB1 VAL 175 HG23 0.02 0.02 -0.24 -0.04 0.95 0.72 1i2mB1 LYS 176 H -0.04 0.27 0.13 -0.55 8.42 8.23 1i2mB1 LYS 176 HA 0.01 0.14 0.54 -0.75 4.32 4.25 1i2mB1 LYS 176 HB2 -0.64 0.07 -0.17 -0.04 1.87 1.08 1i2mB1 LYS 176 HB3 -0.34 -0.10 -0.03 -0.04 1.79 1.28 1i2mB1 LYS 176 HG2 -0.16 0.05 -0.36 -0.04 1.46 0.94 1i2mB1 LYS 176 HG3 -0.11 0.04 0.04 -0.04 1.46 1.39 1i2mB1 LYS 176 HD2 -0.45 -0.05 0.03 -0.04 1.69 1.17 1i2mB1 LYS 176 HD3 -0.35 -0.11 -0.01 -0.04 1.68 1.16 1i2mB1 LYS 176 HE2 -0.19 0.03 0.01 -0.04 2.99 2.81 1i2mB1 LYS 176 HE3 -0.06 0.02 0.07 -0.04 2.99 2.97 1i2mB1 VAL 177 H -0.04 0.25 0.06 -0.55 8.24 7.95 1i2mB1 VAL 177 HA -0.05 0.32 1.00 -0.75 4.13 4.65 1i2mB1 VAL 177 HB -0.04 -0.01 -0.16 -0.04 2.12 1.87 1i2mB1 VAL 177 HG13 -0.02 -0.01 -0.28 -0.04 0.97 0.62 1i2mB1 VAL 177 HG23 -0.04 0.01 -0.32 -0.04 0.95 0.55 1i2mB1 ALA 178 H -0.07 0.58 0.27 -0.55 8.40 8.64 1i2mB1 ALA 178 HA -0.07 0.13 0.70 -0.75 4.34 4.34 1i2mB1 ALA 178 HB3 -0.10 0.01 -0.07 -0.04 1.41 1.20 1i2mB1 SER 179 H -0.10 0.25 0.20 -0.55 8.46 8.26 1i2mB1 SER 179 HA -0.15 0.23 1.18 -0.75 4.49 4.99 1i2mB1 SER 179 HB2 -0.13 -0.00 -0.20 -0.04 3.95 3.58 1i2mB1 SER 179 HB3 0.00 0.14 -0.20 -0.04 3.93 3.83 1i2mB1 GLY 180 H -0.45 0.52 0.24 -0.55 8.43 8.19 1i2mB1 GLY 180 HA2 -0.20 0.30 0.69 -0.51 4.01 4.29 1i2mB1 GLY 180 HA3 -0.20 0.02 0.37 -0.51 4.01 3.69 1i2mB1 ASN 181 H -0.14 0.59 0.40 -0.55 8.53 8.84 1i2mB1 ASN 181 HA -0.03 0.01 0.55 -0.75 4.76 4.53 1i2mB1 ASN 181 HB2 -0.15 0.13 0.29 -0.04 2.88 3.11 1i2mB1 ASN 181 HB3 0.05 -0.07 0.10 -0.04 2.79 2.82 1i2mB1 ASN 181 HD21 -0.18 -0.02 0.05 -0.04 7.03 6.84 1i2mB1 ASN 181 HD22 -0.06 -0.02 0.05 -0.04 7.74 7.67 1i2mB1 ASP 182 H 0.22 0.18 0.03 -0.55 8.40 8.29 1i2mB1 ASP 182 HA 0.42 0.20 0.97 -0.75 4.63 5.47 1i2mB1 ASP 182 HB2 0.20 -0.01 0.18 -0.04 2.71 3.04 1i2mB1 ASP 182 HB3 0.22 -0.04 0.39 -0.04 2.70 3.23 1i2mB1 HIS 183 H 0.15 0.24 -0.06 -0.55 8.41 8.19 1i2mB1 HIS 183 HA -0.48 0.22 0.80 -0.75 4.63 4.42 1i2mB1 HIS 183 HB2 -0.15 0.19 -0.04 -0.04 3.26 3.23 1i2mB1 HIS 183 HB3 -0.11 -0.00 -0.18 -0.04 3.20 2.86 1i2mB1 HIS 183 HD2 -0.03 0.15 -0.32 -0.04 6.97 6.72 1i2mB1 HIS 183 HE1 -0.17 0.11 -0.12 -0.04 7.75 7.53 1i2mB1 LEU 184 H -0.16 0.73 0.30 -0.55 8.37 8.69 1i2mB1 LEU 184 HA -0.07 0.22 0.99 -0.75 4.35 4.73 1i2mB1 LEU 184 HB2 0.04 -0.07 -0.18 -0.04 1.64 1.39 1i2mB1 LEU 184 HB3 0.02 0.02 -0.02 -0.04 1.64 1.62 1i2mB1 LEU 184 HG 0.01 0.04 -0.40 -0.04 1.64 1.25 1i2mB1 LEU 184 HD13 0.03 0.04 -0.13 -0.04 0.93 0.82 1i2mB1 LEU 184 HD23 0.04 -0.01 -0.22 -0.04 0.89 0.65 1i2mB1 VAL 185 H -0.07 0.68 0.31 -0.55 8.24 8.61 1i2mB1 VAL 185 HA 0.02 0.34 1.04 -0.75 4.13 4.78 1i2mB1 VAL 185 HB -0.01 0.02 -0.10 -0.04 2.12 1.98 1i2mB1 VAL 185 HG13 0.06 -0.01 -0.27 -0.04 0.97 0.71 1i2mB1 VAL 185 HG23 -0.09 0.02 -0.18 -0.04 0.95 0.66 1i2mB1 MET 186 H 0.04 0.80 0.25 -0.55 8.47 9.01 1i2mB1 MET 186 HA -0.02 0.31 1.04 -0.75 4.52 5.09 1i2mB1 MET 186 HB2 0.04 -0.05 0.03 -0.04 2.15 2.13 1i2mB1 MET 186 HB3 -0.01 0.01 -0.09 -0.04 2.03 1.89 1i2mB1 MET 186 HG2 -0.01 0.01 -0.20 -0.04 2.63 2.39 1i2mB1 MET 186 HG3 0.01 -0.06 -0.56 -0.04 2.56 1.90 1i2mB1 MET 186 HE3 0.03 0.01 -0.27 -0.04 2.10 1.83 1i2mB1 LEU 187 H -0.05 0.57 0.22 -0.55 8.37 8.57 1i2mB1 LEU 187 HA 0.05 0.23 0.80 -0.75 4.35 4.68 1i2mB1 LEU 187 HB2 -0.07 -0.03 -0.11 -0.04 1.64 1.39 1i2mB1 LEU 187 HB3 -0.11 -0.08 0.08 -0.04 1.64 1.49 1i2mB1 LEU 187 HG 0.06 0.13 -0.25 -0.04 1.64 1.54 1i2mB1 LEU 187 HD13 0.13 0.08 -0.28 -0.04 0.93 0.82 1i2mB1 LEU 187 HD23 0.00 -0.03 -0.35 -0.04 0.89 0.46 1i2mB1 THR 188 H 0.12 0.67 0.30 -0.55 8.28 8.82 1i2mB1 THR 188 HA 0.03 0.19 0.85 -0.75 4.39 4.70 1i2mB1 THR 188 HB 0.04 0.09 0.12 -0.04 4.32 4.53 1i2mB1 THR 188 HG23 0.07 0.07 -0.11 -0.04 1.22 1.21 1i2mB1 ALA 189 H 0.04 0.66 0.24 -0.55 8.40 8.80 1i2mB1 ALA 189 HA 0.07 0.11 0.40 -0.75 4.34 4.16 1i2mB1 ALA 189 HB3 0.04 0.01 0.08 -0.04 1.41 1.49 1i2mB1 ASP 190 H 0.08 -0.02 -0.34 -0.55 8.40 7.58 1i2mB1 ASP 190 HA 0.09 0.23 0.73 -0.75 4.63 4.92 1i2mB1 ASP 190 HB2 0.10 -0.08 0.02 -0.04 2.71 2.70 1i2mB1 ASP 190 HB3 0.09 0.04 0.10 -0.04 2.70 2.89 1i2mB1 GLY 191 H 0.12 0.47 -0.24 -0.55 8.43 8.23 1i2mB1 GLY 191 HA2 0.16 0.30 0.38 -0.51 4.01 4.34 1i2mB1 GLY 191 HA3 0.03 0.11 0.77 -0.51 4.01 4.41 1i2mB1 ASP 192 H 0.15 -0.07 -0.08 -0.55 8.40 7.85 1i2mB1 ASP 192 HA 0.20 0.23 0.71 -0.75 4.63 5.01 1i2mB1 ASP 192 HB2 0.29 -0.10 0.02 -0.04 2.71 2.89 1i2mB1 ASP 192 HB3 0.16 0.03 -0.04 -0.04 2.70 2.81 1i2mB1 LEU 193 H 0.10 0.24 0.18 -0.55 8.37 8.35 1i2mB1 LEU 193 HA 0.08 0.26 0.98 -0.75 4.35 4.91 1i2mB1 LEU 193 HB2 -0.23 0.00 -0.10 -0.04 1.64 1.27 1i2mB1 LEU 193 HB3 -0.19 -0.01 0.13 -0.04 1.64 1.54 1i2mB1 LEU 193 HG -0.05 0.07 -0.33 -0.04 1.64 1.29 1i2mB1 LEU 193 HD13 -0.09 0.01 -0.27 -0.04 0.93 0.54 1i2mB1 LEU 193 HD23 -0.26 -0.01 -0.18 -0.04 0.89 0.40 1i2mB1 TYR 194 H 0.24 0.70 0.26 -0.55 8.29 8.94 1i2mB1 TYR 194 HA -0.02 0.29 0.78 -0.75 4.56 4.86 1i2mB1 TYR 194 HB2 -0.01 0.01 0.03 -0.04 3.06 3.04 1i2mB1 TYR 194 HB3 -0.02 0.02 -0.16 -0.04 2.98 2.78 1i2mB1 TYR 194 HD2 -0.00 0.04 -0.47 -0.04 7.15 6.68 1i2mB1 TYR 194 HE2 0.00 0.01 -0.14 -0.04 6.85 6.68 1i2mB1 THR 195 H 0.00 0.59 0.31 -0.55 8.28 8.63 1i2mB1 THR 195 HA 0.04 0.29 1.05 -0.75 4.39 5.01 1i2mB1 THR 195 HB 0.06 -0.06 0.05 -0.04 4.32 4.32 1i2mB1 THR 195 HG23 0.07 -0.01 -0.30 -0.04 1.22 0.93 1i2mB1 LEU 196 H -0.05 0.48 0.31 -0.55 8.37 8.57 1i2mB1 LEU 196 HA -0.09 0.28 0.48 -0.75 4.35 4.27 1i2mB1 LEU 196 HB2 -0.06 0.11 -0.07 -0.04 1.64 1.57 1i2mB1 LEU 196 HB3 -0.01 0.01 -0.43 -0.04 1.64 1.18 1i2mB1 LEU 196 HG -0.12 -0.11 -0.34 -0.04 1.64 1.03 1i2mB1 LEU 196 HD13 0.10 0.03 -0.14 -0.04 0.93 0.87 1i2mB1 LEU 196 HD23 0.02 0.01 -0.22 -0.04 0.89 0.66 1i2mB1 GLY 197 H -0.27 0.72 0.15 -0.55 8.43 8.48 1i2mB1 GLY 197 HA2 -1.20 0.01 0.22 -0.51 4.01 2.53 1i2mB1 GLY 197 HA3 -1.10 0.13 1.03 -0.51 4.01 3.56 1i2mB1 CYS 198 H -0.25 0.76 0.34 -0.55 8.50 8.80 1i2mB1 CYS 198 HA -0.04 0.02 0.58 -0.75 4.58 4.39 1i2mB1 CYS 198 HB2 0.04 0.12 0.13 -0.04 2.97 3.22 1i2mB1 CYS 198 HB3 0.04 0.01 0.16 -0.04 2.97 3.14 1i2mB1 GLY 199 H 0.00 0.19 0.19 -0.55 8.43 8.26 1i2mB1 GLY 199 HA2 -0.05 0.10 0.75 -0.51 4.01 4.30 1i2mB1 GLY 199 HA3 0.01 0.16 0.24 -0.51 4.01 3.92 1i2mB1 GLU 200 H 0.02 0.08 0.04 -0.55 8.60 8.20 1i2mB1 GLU 200 HA 0.13 0.18 0.35 -0.75 4.29 4.20 1i2mB1 GLU 200 HB2 0.03 -0.06 0.19 -0.04 2.09 2.20 1i2mB1 GLU 200 HB3 0.01 0.03 -0.02 -0.04 1.99 1.97 1i2mB1 GLU 200 HG2 0.04 0.05 -0.02 -0.04 2.34 2.37 1i2mB1 GLU 200 HG3 0.06 0.07 -0.03 -0.04 2.34 2.41 1i2mB1 GLN 201 H -0.06 0.03 -0.33 -0.55 8.47 7.57 1i2mB1 GLN 201 HA -0.16 0.23 0.76 -0.75 4.36 4.44 1i2mB1 GLN 201 HB2 -0.06 0.01 0.06 -0.04 2.15 2.12 1i2mB1 GLN 201 HB3 -0.10 0.00 0.12 -0.04 2.02 2.01 1i2mB1 GLN 201 HG2 -0.12 0.02 0.06 -0.04 2.40 2.31 1i2mB1 GLN 201 HG3 -0.09 0.06 -0.02 -0.04 2.39 2.30 1i2mB1 GLN 201 HE21 -0.07 -0.05 -0.06 -0.04 6.97 6.75 1i2mB1 GLN 201 HE22 -0.07 0.09 -0.14 -0.04 7.69 7.53 1i2mB1 GLY 202 H -0.21 0.44 -0.35 -0.55 8.43 7.76 1i2mB1 GLY 202 HA2 -0.30 0.10 0.25 -0.51 4.01 3.56 1i2mB1 GLY 202 HA3 -0.76 0.19 0.35 -0.51 4.01 3.28 1i2mB1 GLN 203 H -0.16 -0.06 -0.28 -0.55 8.47 7.43 1i2mB1 GLN 203 HA -0.00 0.20 0.00 -0.75 4.36 3.81 1i2mB1 GLN 203 HB2 -0.83 0.07 -0.22 -0.04 2.15 1.13 1i2mB1 GLN 203 HB3 -0.25 0.09 -0.29 -0.04 2.02 1.53 1i2mB1 GLN 203 HG2 -0.36 0.17 -0.21 -0.04 2.40 1.96 1i2mB1 GLN 203 HG3 -0.93 -0.01 -0.18 -0.04 2.39 1.24 1i2mB1 GLN 203 HE21 0.06 -0.13 -0.06 -0.04 6.97 6.79 1i2mB1 GLN 203 HE22 0.04 0.05 -0.05 -0.04 7.69 7.69 1i2mB1 LEU 204 H -0.03 -0.08 -0.54 -0.55 8.37 7.17 1i2mB1 LEU 204 HA 0.06 0.21 0.53 -0.75 4.35 4.40 1i2mB1 LEU 204 HB2 -0.03 -0.15 -0.13 -0.04 1.64 1.30 1i2mB1 LEU 204 HB3 -0.04 0.14 -0.16 -0.04 1.64 1.54 1i2mB1 LEU 204 HG -0.06 -0.12 -0.35 -0.04 1.64 1.07 1i2mB1 LEU 204 HD13 -0.05 0.08 -0.28 -0.04 0.93 0.64 1i2mB1 LEU 204 HD23 -0.05 0.02 -0.52 -0.04 0.89 0.30 1i2mB1 GLY 205 H -0.06 0.26 -0.18 -0.55 8.43 7.89 1i2mB1 GLY 205 HA2 -0.43 0.25 0.30 -0.51 4.01 3.63 1i2mB1 GLY 205 HA3 -1.44 0.03 0.20 -0.51 4.01 2.29 1i2mB1 ARG 206 H -0.11 -0.17 -0.32 -0.55 8.46 7.31 1i2mB1 ARG 206 HA -0.12 0.14 0.65 -0.75 4.34 4.25 1i2mB1 ARG 206 HB2 -0.10 -0.02 0.13 -0.04 1.90 1.87 1i2mB1 ARG 206 HB3 -0.17 0.11 -0.22 -0.04 1.80 1.48 1i2mB1 ARG 206 HG2 -0.09 -0.04 -0.33 -0.04 1.67 1.17 1i2mB1 ARG 206 HG3 -0.05 -0.07 -0.33 -0.04 1.67 1.18 1i2mB1 ARG 206 HD2 -0.09 -0.08 -0.17 -0.04 3.22 2.84 1i2mB1 ARG 206 HD3 -0.12 0.10 -0.30 -0.04 3.22 2.86 1i2mB1 VAL 207 H 0.00 0.04 0.00 -0.55 8.24 7.74 1i2mB1 VAL 207 HA 0.02 0.28 0.87 -0.75 4.13 4.56 1i2mB1 VAL 207 HB 0.10 -0.12 -0.05 -0.04 2.12 2.01 1i2mB1 VAL 207 HG13 0.13 0.04 -0.30 -0.04 0.97 0.80 1i2mB1 VAL 207 HG23 0.03 0.01 -0.29 -0.04 0.95 0.66 1i2mB1 PRO 208 HA -0.17 0.10 0.41 -0.51 4.44 4.27 1i2mB1 PRO 208 HB2 -0.57 -0.12 -0.01 -0.04 2.28 1.53 1i2mB1 PRO 208 HB3 -0.30 0.05 0.07 -0.04 2.02 1.80 1i2mB1 PRO 208 HG2 -0.34 0.07 0.02 -0.04 2.03 1.74 1i2mB1 PRO 208 HG3 -0.16 0.12 -0.03 -0.04 2.03 1.92 1i2mB1 PRO 208 HD2 -0.11 0.06 0.12 -0.04 3.68 3.71 1i2mB1 PRO 208 HD3 -0.04 0.34 0.13 -0.04 3.65 4.05 1i2mB1 GLU 209 H -0.48 0.19 0.14 -0.55 8.60 7.91 1i2mB1 GLU 209 HA -1.46 0.11 0.31 -0.75 4.29 2.50 1i2mB1 GLU 209 HB2 -0.91 0.03 0.14 -0.04 2.09 1.31 1i2mB1 GLU 209 HB3 -0.43 0.00 0.06 -0.04 1.99 1.59 1i2mB1 GLU 209 HG2 -0.35 -0.01 -0.06 -0.04 2.34 1.88 1i2mB1 GLU 209 HG3 -0.90 0.03 0.06 -0.04 2.34 1.48 1i2mB1 LEU 210 H -0.36 0.06 -0.41 -0.55 8.37 7.11 1i2mB1 LEU 210 HA -0.12 0.09 0.35 -0.75 4.35 3.91 1i2mB1 LEU 210 HB2 -0.26 -0.02 0.04 -0.04 1.64 1.37 1i2mB1 LEU 210 HB3 -0.60 0.04 -0.06 -0.04 1.64 0.97 1i2mB1 LEU 210 HG 0.10 -0.00 -0.02 -0.04 1.64 1.67 1i2mB1 LEU 210 HD13 -0.04 0.00 0.05 -0.04 0.93 0.91 1i2mB1 LEU 210 HD23 -0.11 0.01 -0.01 -0.04 0.89 0.74 1i2mB1 PHE 211 H -0.14 0.60 -0.46 -0.55 8.34 7.78 1i2mB1 PHE 211 HA -0.05 0.14 0.54 -0.75 4.62 4.50 1i2mB1 PHE 211 HB2 -0.05 0.08 -0.09 -0.04 3.15 3.04 1i2mB1 PHE 211 HB3 -0.03 0.01 -0.07 -0.04 3.06 2.93 1i2mB1 PHE 211 HD2 -0.04 0.13 -0.38 -0.04 7.28 6.95 1i2mB1 PHE 211 HE2 -0.04 0.01 -0.04 -0.04 7.38 7.27 1i2mB1 PHE 211 HZ -0.03 0.01 -0.03 -0.04 7.32 7.23 1i2mB1 ALA 212 H -0.03 0.43 -0.37 -0.55 8.40 7.89 1i2mB1 ALA 212 HA 0.14 0.05 0.17 -0.75 4.34 3.95 1i2mB1 ALA 212 HB3 0.10 0.01 0.05 -0.04 1.41 1.53 1i2mB1 ASN 213 H 0.05 0.21 -0.30 -0.55 8.53 7.94 1i2mB1 ASN 213 HA 0.04 0.03 0.63 -0.75 4.76 4.71 1i2mB1 ASN 213 HB2 0.03 0.02 0.04 -0.04 2.88 2.93 1i2mB1 ASN 213 HB3 0.03 0.03 0.11 -0.04 2.79 2.92 1i2mB1 ASN 213 HD21 0.01 0.03 -0.07 -0.04 7.03 6.96 1i2mB1 ASN 213 HD22 0.02 0.01 -0.01 -0.04 7.74 7.71 1i2mB1 ARG 214 H 0.03 0.21 0.16 -0.55 8.46 8.31 1i2mB1 ARG 214 HA 0.01 0.02 0.25 -0.75 4.34 3.88 1i2mB1 ARG 214 HB2 0.01 0.16 -0.15 -0.04 1.90 1.88 1i2mB1 ARG 214 HB3 0.00 -0.01 0.14 -0.04 1.80 1.90 1i2mB1 ARG 214 HG2 0.02 -0.02 0.01 -0.04 1.67 1.65 1i2mB1 ARG 214 HG3 0.02 -0.08 -0.17 -0.04 1.67 1.40 1i2mB1 ARG 214 HD2 0.01 0.04 -0.08 -0.04 3.22 3.15 1i2mB1 ARG 214 HD3 0.01 0.03 -0.02 -0.04 3.22 3.20 1i2mB1 GLY 215 H 0.04 0.23 -0.53 -0.55 8.43 7.62 1i2mB1 GLY 215 HA2 0.01 0.07 0.22 -0.51 4.01 3.80 1i2mB1 GLY 215 HA3 -0.06 0.35 0.33 -0.51 4.01 4.12 1i2mB1 GLY 216 H -0.00 0.47 -0.57 -0.55 8.43 7.78 1i2mB1 GLY 216 HA2 0.00 0.06 0.28 -0.51 4.01 3.85 1i2mB1 GLY 216 HA3 -0.04 0.05 0.49 -0.51 4.01 4.01 1i2mB1 ARG 217 H -0.11 0.13 0.18 -0.55 8.46 8.10 1i2mB1 ARG 217 HA -0.07 0.07 0.37 -0.75 4.34 3.96 1i2mB1 ARG 217 HB2 -0.11 -0.00 0.12 -0.04 1.90 1.86 1i2mB1 ARG 217 HB3 -0.07 0.03 0.05 -0.04 1.80 1.77 1i2mB1 ARG 217 HG2 -0.03 0.02 0.06 -0.04 1.67 1.68 1i2mB1 ARG 217 HG3 -0.02 -0.04 0.10 -0.04 1.67 1.68 1i2mB1 ARG 217 HD2 0.00 -0.01 0.03 -0.04 3.22 3.20 1i2mB1 ARG 217 HD3 0.00 0.00 0.04 -0.04 3.22 3.22 1i2mB1 GLN 218 H -0.38 0.18 -0.23 -0.55 8.47 7.50 1i2mB1 GLN 218 HA -0.14 0.07 0.51 -0.75 4.36 4.06 1i2mB1 GLN 218 HB2 -0.40 0.15 0.06 -0.04 2.15 1.92 1i2mB1 GLN 218 HB3 -0.18 -0.03 0.10 -0.04 2.02 1.87 1i2mB1 GLN 218 HG2 -0.17 -0.00 -0.00 -0.04 2.40 2.19 1i2mB1 GLN 218 HG3 -0.41 -0.09 0.02 -0.04 2.39 1.87 1i2mB1 GLN 218 HE21 0.01 0.01 -0.00 -0.04 6.97 6.95 1i2mB1 GLN 218 HE22 -0.08 -0.03 -0.01 -0.04 7.69 7.53 1i2mB1 GLY 219 H -0.13 0.40 -0.58 -0.55 8.43 7.57 1i2mB1 GLY 219 HA2 -0.05 0.12 0.33 -0.51 4.01 3.90 1i2mB1 GLY 219 HA3 -0.05 0.03 0.49 -0.51 4.01 3.97 1i2mB1 LEU 220 H -0.02 0.12 0.16 -0.55 8.37 8.08 1i2mB1 LEU 220 HA -0.01 0.05 0.24 -0.75 4.35 3.88 1i2mB1 LEU 220 HB2 0.00 -0.00 0.11 -0.04 1.64 1.71 1i2mB1 LEU 220 HB3 0.01 0.03 -0.01 -0.04 1.64 1.64 1i2mB1 LEU 220 HG 0.00 0.05 0.10 -0.04 1.64 1.75 1i2mB1 LEU 220 HD13 0.02 0.06 0.11 -0.04 0.93 1.08 1i2mB1 LEU 220 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.83 1i2mB1 GLU 221 H -0.02 0.15 -0.20 -0.55 8.60 7.98 1i2mB1 GLU 221 HA -0.00 0.06 0.31 -0.75 4.29 3.91 1i2mB1 GLU 221 HB2 -0.03 0.07 0.05 -0.04 2.09 2.14 1i2mB1 GLU 221 HB3 -0.01 0.06 -0.09 -0.04 1.99 1.91 1i2mB1 GLU 221 HG2 -0.00 0.03 0.05 -0.04 2.34 2.38 1i2mB1 GLU 221 HG3 -0.01 -0.06 0.07 -0.04 2.34 2.29 1i2mB1 ARG 222 H -0.03 0.24 -0.32 -0.55 8.46 7.80 1i2mB1 ARG 222 HA -0.01 0.09 0.33 -0.75 4.34 4.00 1i2mB1 ARG 222 HB2 -0.04 -0.02 0.03 -0.04 1.90 1.84 1i2mB1 ARG 222 HB3 -0.02 0.03 -0.01 -0.04 1.80 1.75 1i2mB1 ARG 222 HG2 0.02 0.00 -0.22 -0.04 1.67 1.43 1i2mB1 ARG 222 HG3 0.01 0.04 0.04 -0.04 1.67 1.71 1i2mB1 ARG 222 HD2 0.04 -0.03 -0.01 -0.04 3.22 3.19 1i2mB1 ARG 222 HD3 0.11 -0.03 -0.04 -0.04 3.22 3.21 1i2mB1 LEU 223 H -0.01 0.22 -0.34 -0.55 8.37 7.70 1i2mB1 LEU 223 HA -0.03 0.10 0.53 -0.75 4.35 4.20 1i2mB1 LEU 223 HB2 -0.02 0.05 0.04 -0.04 1.64 1.67 1i2mB1 LEU 223 HB3 -0.05 0.29 0.07 -0.04 1.64 1.90 1i2mB1 LEU 223 HG -0.00 0.04 -0.13 -0.04 1.64 1.51 1i2mB1 LEU 223 HD13 0.01 -0.07 -0.02 -0.04 0.93 0.80 1i2mB1 LEU 223 HD23 0.02 0.01 -0.11 -0.04 0.89 0.76 1i2mB1 LEU 224 H -0.01 0.39 -0.09 -0.55 8.37 8.11 1i2mB1 LEU 224 HA -0.02 0.01 0.60 -0.75 4.35 4.19 1i2mB1 LEU 224 HB2 0.03 0.02 -0.20 -0.04 1.64 1.45 1i2mB1 LEU 224 HB3 0.07 0.06 -0.20 -0.04 1.64 1.52 1i2mB1 LEU 224 HG 0.02 0.02 -0.20 -0.04 1.64 1.44 1i2mB1 LEU 224 HD13 0.07 -0.01 -0.61 -0.04 0.93 0.34 1i2mB1 LEU 224 HD23 0.10 0.03 -0.35 -0.04 0.89 0.63 1i2mB1 VAL 225 H 0.00 0.33 -0.22 -0.55 8.24 7.80 1i2mB1 VAL 225 HA 0.02 0.11 0.76 -0.75 4.13 4.27 1i2mB1 VAL 225 HB 0.01 0.02 0.06 -0.04 2.12 2.17 1i2mB1 VAL 225 HG13 0.02 0.00 -0.13 -0.04 0.97 0.83 1i2mB1 VAL 225 HG23 0.01 -0.01 0.01 -0.04 0.95 0.92 1i2mB1 PRO 226 HA 0.08 0.20 0.35 -0.51 4.44 4.56 1i2mB1 PRO 226 HB2 0.08 -0.01 0.03 -0.04 2.28 2.33 1i2mB1 PRO 226 HB3 0.10 -0.03 -0.11 -0.04 2.02 1.95 1i2mB1 PRO 226 HG2 -0.00 -0.04 -0.03 -0.04 2.03 1.92 1i2mB1 PRO 226 HG3 0.03 0.05 -0.08 -0.04 2.03 1.99 1i2mB1 PRO 226 HD2 0.02 0.06 0.20 -0.04 3.68 3.92 1i2mB1 PRO 226 HD3 0.03 0.25 0.29 -0.04 3.65 4.18 1i2mB1 LYS 227 H 0.05 0.46 0.36 -0.55 8.42 8.73 1i2mB1 LYS 227 HA 0.04 0.07 0.82 -0.75 4.32 4.49 1i2mB1 LYS 227 HB2 -0.04 0.08 0.08 -0.04 1.87 1.94 1i2mB1 LYS 227 HB3 -0.07 -0.04 0.08 -0.04 1.79 1.71 1i2mB1 LYS 227 HG2 0.02 -0.03 -0.06 -0.04 1.46 1.35 1i2mB1 LYS 227 HG3 0.02 0.23 -0.43 -0.04 1.46 1.23 1i2mB1 LYS 227 HD2 -0.01 0.08 0.01 -0.04 1.69 1.72 1i2mB1 LYS 227 HD3 -0.02 -0.07 0.01 -0.04 1.68 1.56 1i2mB1 LYS 227 HE2 0.01 -0.04 -0.04 -0.04 2.99 2.87 1i2mB1 LYS 227 HE3 0.00 0.05 -0.06 -0.04 2.99 2.94 1i2mB1 CYS 228 H -0.36 0.07 0.12 -0.55 8.50 7.79 1i2mB1 CYS 228 HA -0.74 0.21 0.54 -0.75 4.58 3.84 1i2mB1 CYS 228 HB2 -0.87 -0.05 0.00 -0.04 2.97 2.01 1i2mB1 CYS 228 HB3 -0.32 -0.03 0.03 -0.04 2.97 2.60 1i2mB1 VAL 229 H -0.21 0.53 0.31 -0.55 8.24 8.32 1i2mB1 VAL 229 HA -0.19 0.16 0.67 -0.75 4.13 4.01 1i2mB1 VAL 229 HB -0.13 -0.11 0.21 -0.04 2.12 2.05 1i2mB1 VAL 229 HG13 -0.27 0.03 -0.15 -0.04 0.97 0.54 1i2mB1 VAL 229 HG23 -0.22 0.06 -0.09 -0.04 0.95 0.65 1i2mB1 MET 230 H -0.11 0.25 0.12 -0.55 8.47 8.18 1i2mB1 MET 230 HA -0.02 0.15 0.84 -0.75 4.52 4.73 1i2mB1 MET 230 HB2 -0.07 -0.02 0.11 -0.04 2.15 2.13 1i2mB1 MET 230 HB3 -0.08 -0.02 -0.06 -0.04 2.03 1.83 1i2mB1 MET 230 HG2 -0.15 -0.01 -0.21 -0.04 2.63 2.22 1i2mB1 MET 230 HG3 -0.13 0.20 -0.20 -0.04 2.56 2.39 1i2mB1 MET 230 HE3 -0.13 -0.01 -0.04 -0.04 2.10 1.88 1i2mB1 LEU 231 H 0.03 0.29 0.13 -0.55 8.37 8.28 1i2mB1 LEU 231 HA -0.00 0.15 0.86 -0.75 4.35 4.60 1i2mB1 LEU 231 HB2 -0.07 -0.06 0.03 -0.04 1.64 1.50 1i2mB1 LEU 231 HB3 -0.00 0.04 -0.02 -0.04 1.64 1.61 1i2mB1 LEU 231 HG 0.01 0.02 -0.44 -0.04 1.64 1.19 1i2mB1 LEU 231 HD13 -0.06 -0.01 -0.17 -0.04 0.93 0.65 1i2mB1 LEU 231 HD23 -0.01 0.09 -0.10 -0.04 0.89 0.83 1i2mB1 LYS 232 H 0.02 0.15 0.04 -0.55 8.42 8.07 1i2mB1 LYS 232 HA 0.02 0.18 0.41 -0.75 4.32 4.18 1i2mB1 LYS 232 HB2 0.02 -0.00 0.12 -0.04 1.87 1.97 1i2mB1 LYS 232 HB3 0.02 0.01 0.11 -0.04 1.79 1.90 1i2mB1 LYS 232 HG2 0.01 0.02 0.03 -0.04 1.46 1.48 1i2mB1 LYS 232 HG3 0.01 -0.02 0.04 -0.04 1.46 1.45 1i2mB1 LYS 232 HD2 0.02 -0.02 0.05 -0.04 1.69 1.69 1i2mB1 LYS 232 HD3 0.02 0.08 0.12 -0.04 1.68 1.86 1i2mB1 LYS 232 HE2 0.01 -0.03 0.02 -0.04 2.99 2.94 1i2mB1 LYS 232 HE3 0.01 0.01 0.01 -0.04 2.99 2.99 1i2mB1 HIS 239 HA -0.06 -0.07 -0.02 -0.75 4.63 3.73 1i2mB1 HIS 239 HB2 -0.07 -0.00 0.03 -0.04 3.26 3.18 1i2mB1 HIS 239 HB3 -0.05 -0.10 0.00 -0.04 3.20 3.01 1i2mB1 HIS 239 HD2 -0.05 0.11 -0.05 -0.04 6.97 6.93 1i2mB1 HIS 239 HE1 -0.01 -0.02 -0.03 -0.04 7.75 7.64 1i2mB1 VAL 240 H -0.10 0.33 0.07 -0.55 8.24 8.00 1i2mB1 VAL 240 HA -0.32 -0.01 0.58 -0.75 4.13 3.62 1i2mB1 VAL 240 HB -0.40 -0.02 0.07 -0.04 2.12 1.73 1i2mB1 VAL 240 HG13 -0.81 -0.01 -0.07 -0.04 0.97 0.04 1i2mB1 VAL 240 HG23 -0.13 -0.00 0.02 -0.04 0.95 0.79 1i2mB1 ARG 241 H -0.57 0.03 0.31 -0.55 8.46 7.68 1i2mB1 ARG 241 HA -0.50 0.30 0.92 -0.75 4.34 4.31 1i2mB1 ARG 241 HB2 -0.82 -0.13 0.15 -0.04 1.90 1.06 1i2mB1 ARG 241 HB3 -0.81 0.08 0.16 -0.04 1.80 1.19 1i2mB1 ARG 241 HG2 -0.35 -0.00 -0.11 -0.04 1.67 1.17 1i2mB1 ARG 241 HG3 -0.56 0.13 -0.17 -0.04 1.67 1.03 1i2mB1 ARG 241 HD2 -0.12 -0.10 0.04 -0.04 3.22 3.00 1i2mB1 ARG 241 HD3 -0.06 0.28 0.12 -0.04 3.22 3.52 1i2mB1 PHE 242 H -0.10 0.84 0.39 -0.55 8.34 8.92 1i2mB1 PHE 242 HA -0.05 0.02 1.17 -0.75 4.62 5.01 1i2mB1 PHE 242 HB2 -0.01 0.01 -0.10 -0.04 3.15 3.01 1i2mB1 PHE 242 HB3 0.03 0.06 -0.01 -0.04 3.06 3.11 1i2mB1 PHE 242 HD2 -0.02 0.07 -0.32 -0.04 7.28 6.97 1i2mB1 PHE 242 HE2 -0.21 0.04 -0.14 -0.04 7.38 7.04 1i2mB1 PHE 242 HZ -0.30 -0.02 -0.18 -0.04 7.32 6.78 1i2mB1 GLN 243 H 0.29 0.66 0.27 -0.55 8.47 9.15 1i2mB1 GLN 243 HA 0.27 0.20 0.95 -0.75 4.36 5.02 1i2mB1 GLN 243 HB2 0.14 -0.02 0.11 -0.04 2.15 2.33 1i2mB1 GLN 243 HB3 0.24 -0.03 -0.04 -0.04 2.02 2.14 1i2mB1 GLN 243 HG2 0.23 0.13 -0.22 -0.04 2.40 2.50 1i2mB1 GLN 243 HG3 0.21 -0.02 -0.15 -0.04 2.39 2.39 1i2mB1 GLN 243 HE21 0.08 -0.01 -0.02 -0.04 6.97 6.98 1i2mB1 GLN 243 HE22 0.14 0.23 0.04 -0.04 7.69 8.06 1i2mB1 ASP 244 H 0.23 0.29 0.21 -0.55 8.40 8.59 1i2mB1 ASP 244 HA 0.06 0.10 0.45 -0.75 4.63 4.48 1i2mB1 ASP 244 HB2 0.23 0.05 -0.31 -0.04 2.71 2.64 1i2mB1 ASP 244 HB3 0.23 -0.06 -0.12 -0.04 2.70 2.71 1i2mB1 ALA 245 H -0.52 0.35 0.17 -0.55 8.40 7.85 1i2mB1 ALA 245 HA -0.12 0.19 0.81 -0.75 4.34 4.47 1i2mB1 ALA 245 HB3 -0.16 0.01 -0.14 -0.04 1.41 1.08 1i2mB1 PHE 246 H 0.09 0.77 0.36 -0.55 8.34 9.02 1i2mB1 PHE 246 HA 0.01 0.17 0.85 -0.75 4.62 4.89 1i2mB1 PHE 246 HB2 0.14 -0.12 -0.10 -0.04 3.15 3.02 1i2mB1 PHE 246 HB3 0.09 0.19 0.09 -0.04 3.06 3.39 1i2mB1 PHE 246 HD2 0.06 0.07 -0.08 -0.04 7.28 7.29 1i2mB1 PHE 246 HE2 0.17 0.04 -0.12 -0.04 7.38 7.43 1i2mB1 PHE 246 HZ 0.20 0.20 -0.09 -0.04 7.32 7.59 1i2mB1 CYS 247 H 0.09 0.26 0.19 -0.55 8.50 8.49 1i2mB1 CYS 247 HA -0.05 0.18 1.20 -0.75 4.58 5.16 1i2mB1 CYS 247 HB2 -0.14 0.08 -0.22 -0.04 2.97 2.65 1i2mB1 CYS 247 HB3 -0.22 0.11 -0.21 -0.04 2.97 2.61 1i2mB1 GLY 248 H -0.44 0.56 0.21 -0.55 8.43 8.21 1i2mB1 GLY 248 HA2 -0.36 0.28 0.85 -0.51 4.01 4.28 1i2mB1 GLY 248 HA3 -1.45 -0.03 0.27 -0.51 4.01 2.29 1i2mB1 ALA 249 H -0.50 0.51 0.00 -0.55 8.40 7.86 1i2mB1 ALA 249 HA -0.38 0.02 0.43 -0.75 4.34 3.65 1i2mB1 ALA 249 HB3 -0.57 0.00 -0.01 -0.04 1.41 0.80 1i2mB1 TYR 250 H -0.32 0.18 -0.12 -0.55 8.29 7.48 1i2mB1 TYR 250 HA -0.03 0.15 0.85 -0.75 4.56 4.78 1i2mB1 TYR 250 HB2 0.20 0.04 0.12 -0.04 3.06 3.38 1i2mB1 TYR 250 HB3 0.04 -0.09 0.21 -0.04 2.98 3.09 1i2mB1 TYR 250 HD2 0.10 0.07 0.05 -0.04 7.15 7.33 1i2mB1 TYR 250 HE2 0.03 -0.01 0.01 -0.04 6.85 6.84 1i2mB1 PHE 251 H -0.47 0.32 -0.09 -0.55 8.34 7.54 1i2mB1 PHE 251 HA -0.22 0.15 0.75 -0.75 4.62 4.56 1i2mB1 PHE 251 HB2 -0.37 0.13 -0.06 -0.04 3.15 2.81 1i2mB1 PHE 251 HB3 -0.14 -0.00 -0.08 -0.04 3.06 2.80 1i2mB1 PHE 251 HD2 -0.11 -0.01 -0.34 -0.04 7.28 6.77 1i2mB1 PHE 251 HE2 0.19 0.15 -0.11 -0.04 7.38 7.57 1i2mB1 PHE 251 HZ 0.04 0.14 -0.09 -0.04 7.32 7.37 1i2mB1 THR 252 H -0.44 0.69 0.33 -0.55 8.28 8.31 1i2mB1 THR 252 HA -0.20 0.20 1.08 -0.75 4.39 4.71 1i2mB1 THR 252 HB -1.44 -0.04 -0.04 -0.04 4.32 2.76 1i2mB1 THR 252 HG23 -0.22 0.03 -0.17 -0.04 1.22 0.82 1i2mB1 PHE 253 H 0.00 0.67 0.30 -0.55 8.34 8.76 1i2mB1 PHE 253 HA -0.35 0.33 1.08 -0.75 4.62 4.92 1i2mB1 PHE 253 HB2 -0.23 -0.07 -0.03 -0.04 3.15 2.78 1i2mB1 PHE 253 HB3 -0.84 0.02 -0.10 -0.04 3.06 2.10 1i2mB1 PHE 253 HD2 -0.41 0.01 -0.23 -0.04 7.28 6.61 1i2mB1 PHE 253 HE2 -0.05 -0.01 -0.19 -0.04 7.38 7.08 1i2mB1 PHE 253 HZ 0.02 0.28 -0.06 -0.04 7.32 7.51 1i2mB1 ALA 254 H 0.01 0.70 0.32 -0.55 8.40 8.89 1i2mB1 ALA 254 HA 0.05 0.18 0.93 -0.75 4.34 4.74 1i2mB1 ALA 254 HB3 -0.26 0.00 -0.11 -0.04 1.41 1.00 1i2mB1 ILE 255 H 0.26 0.57 0.20 -0.55 8.25 8.73 1i2mB1 ILE 255 HA 0.32 0.30 0.92 -0.75 4.18 4.97 1i2mB1 ILE 255 HB 0.31 -0.08 0.09 -0.04 1.89 2.17 1i2mB1 ILE 255 HG12 0.30 0.01 -0.22 -0.04 1.49 1.53 1i2mB1 ILE 255 HG13 0.40 -0.11 -0.30 -0.04 1.21 1.16 1i2mB1 ILE 255 HG23 0.27 0.08 -0.16 -0.04 0.93 1.09 1i2mB1 ILE 255 HD13 0.49 0.04 -0.23 -0.04 0.88 1.14 1i2mB1 SER 256 H 0.36 0.61 0.24 -0.55 8.46 9.12 1i2mB1 SER 256 HA -0.12 0.23 0.69 -0.75 4.49 4.53 1i2mB1 SER 256 HB2 -0.23 0.03 0.25 -0.04 3.95 3.96 1i2mB1 SER 256 HB3 0.00 0.07 0.09 -0.04 3.93 4.05 1i2mB1 HIS 257 H -0.17 0.57 0.28 -0.55 8.41 8.55 1i2mB1 HIS 257 HA -0.00 0.11 0.36 -0.75 4.63 4.34 1i2mB1 HIS 257 HB2 -0.11 -0.05 0.15 -0.04 3.26 3.20 1i2mB1 HIS 257 HB3 -0.06 0.02 -0.00 -0.04 3.20 3.12 1i2mB1 HIS 257 HD2 0.02 -0.07 -0.46 -0.04 6.97 6.40 1i2mB1 HIS 257 HE1 -0.03 0.09 -0.03 -0.04 7.75 7.73 1i2mB1 GLU 258 H -0.05 0.02 -0.21 -0.55 8.60 7.81 1i2mB1 GLU 258 HA -0.05 0.15 0.45 -0.75 4.29 4.08 1i2mB1 GLU 258 HB2 -0.56 -0.10 0.01 -0.04 2.09 1.40 1i2mB1 GLU 258 HB3 -0.36 0.04 0.09 -0.04 1.99 1.72 1i2mB1 GLU 258 HG2 -0.13 0.03 0.02 -0.04 2.34 2.22 1i2mB1 GLU 258 HG3 -0.07 0.05 -0.01 -0.04 2.34 2.26 1i2mB1 GLY 259 H 0.06 0.44 -0.50 -0.55 8.43 7.88 1i2mB1 GLY 259 HA2 0.17 0.09 0.24 -0.51 4.01 4.00 1i2mB1 GLY 259 HA3 0.13 0.16 0.71 -0.51 4.01 4.50 1i2mB1 HIS 260 H 0.08 -0.07 -0.15 -0.55 8.41 7.73 1i2mB1 HIS 260 HA 0.16 0.14 0.54 -0.75 4.63 4.72 1i2mB1 HIS 260 HB2 0.30 -0.09 0.03 -0.04 3.26 3.47 1i2mB1 HIS 260 HB3 0.02 0.06 -0.04 -0.04 3.20 3.20 1i2mB1 HIS 260 HD2 0.11 0.07 -0.28 -0.04 6.97 6.82 1i2mB1 HIS 260 HE1 0.06 0.01 -0.03 -0.04 7.75 7.74 1i2mB1 VAL 261 H 0.16 0.20 0.18 -0.55 8.24 8.22 1i2mB1 VAL 261 HA 0.16 0.24 0.91 -0.75 4.13 4.69 1i2mB1 VAL 261 HB -0.01 0.00 0.17 -0.04 2.12 2.24 1i2mB1 VAL 261 HG13 -0.58 -0.02 -0.20 -0.04 0.97 0.13 1i2mB1 VAL 261 HG23 0.16 0.02 -0.02 -0.04 0.95 1.06 1i2mB1 TYR 262 H 0.31 0.89 0.43 -0.55 8.29 9.37 1i2mB1 TYR 262 HA 0.09 0.24 1.05 -0.75 4.56 5.18 1i2mB1 TYR 262 HB2 0.28 0.05 0.04 -0.04 3.06 3.38 1i2mB1 TYR 262 HB3 0.23 -0.01 -0.11 -0.04 2.98 3.05 1i2mB1 TYR 262 HD2 0.22 0.05 -0.34 -0.04 7.15 7.05 1i2mB1 TYR 262 HE2 0.14 -0.03 -0.14 -0.04 6.85 6.78 1i2mB1 GLY 263 H 0.11 0.46 0.38 -0.55 8.43 8.84 1i2mB1 GLY 263 HA2 -0.44 0.39 0.99 -0.51 4.01 4.45 1i2mB1 GLY 263 HA3 -0.33 -0.02 0.34 -0.51 4.01 3.49 1i2mB1 PHE 264 H -0.63 0.53 0.30 -0.55 8.34 7.99 1i2mB1 PHE 264 HA -0.12 0.07 0.40 -0.75 4.62 4.22 1i2mB1 PHE 264 HB2 -0.11 0.25 -0.01 -0.04 3.15 3.23 1i2mB1 PHE 264 HB3 -0.06 0.01 -0.16 -0.04 3.06 2.82 1i2mB1 PHE 264 HD2 -0.08 -0.05 -0.47 -0.04 7.28 6.63 1i2mB1 PHE 264 HE2 -0.12 0.07 -0.37 -0.04 7.38 6.92 1i2mB1 PHE 264 HZ -0.18 0.01 -0.28 -0.04 7.32 6.83 1i2mB1 GLY 265 H -0.06 0.60 0.20 -0.55 8.43 8.62 1i2mB1 GLY 265 HA2 -0.14 -0.13 -0.20 -0.51 4.01 3.03 1i2mB1 GLY 265 HA3 -0.04 0.12 0.96 -0.51 4.01 4.53 1i2mB1 LEU 266 H 0.10 0.59 0.25 -0.55 8.37 8.76 1i2mB1 LEU 266 HA -0.06 0.15 0.64 -0.75 4.35 4.33 1i2mB1 LEU 266 HB2 0.10 -0.01 0.20 -0.04 1.64 1.90 1i2mB1 LEU 266 HB3 0.31 -0.01 0.07 -0.04 1.64 1.97 1i2mB1 LEU 266 HG 0.09 -0.23 -0.04 -0.04 1.64 1.42 1i2mB1 LEU 266 HD13 -0.01 0.07 0.15 -0.04 0.93 1.10 1i2mB1 LEU 266 HD23 0.25 0.03 0.05 -0.04 0.89 1.18 1i2mB1 SER 267 H -0.08 0.61 0.27 -0.55 8.46 8.72 1i2mB1 SER 267 HA -0.16 -0.04 0.60 -0.75 4.49 4.14 1i2mB1 SER 267 HB2 -0.13 0.15 -0.38 -0.04 3.95 3.55 1i2mB1 SER 267 HB3 -0.11 0.24 0.02 -0.04 3.93 4.04 1i2mB1 ASN 268 H -0.03 0.19 0.18 -0.55 8.53 8.31 1i2mB1 ASN 268 HA -0.19 0.11 0.53 -0.75 4.76 4.46 1i2mB1 ASN 268 HB2 -0.20 0.04 0.15 -0.04 2.88 2.83 1i2mB1 ASN 268 HB3 -0.08 0.04 0.20 -0.04 2.79 2.91 1i2mB1 ASN 268 HD21 0.17 0.01 -0.01 -0.04 7.03 7.16 1i2mB1 ASN 268 HD22 -0.03 0.02 0.02 -0.04 7.74 7.71 1i2mB1 TYR 269 H 0.05 -0.02 -0.34 -0.55 8.29 7.43 1i2mB1 TYR 269 HA -0.03 0.26 0.83 -0.75 4.56 4.86 1i2mB1 TYR 269 HB2 -0.02 -0.01 0.12 -0.04 3.06 3.11 1i2mB1 TYR 269 HB3 0.04 -0.02 0.25 -0.04 2.98 3.21 1i2mB1 TYR 269 HD2 -0.25 -0.04 -0.01 -0.04 7.15 6.81 1i2mB1 TYR 269 HE2 -0.31 -0.01 0.00 -0.04 6.85 6.49 1i2mB1 HIS 270 H -0.22 0.43 -0.33 -0.55 8.41 7.75 1i2mB1 HIS 270 HA -0.02 0.16 0.34 -0.75 4.63 4.36 1i2mB1 HIS 270 HB2 0.04 0.25 0.11 -0.04 3.26 3.62 1i2mB1 HIS 270 HB3 0.01 0.02 0.34 -0.04 3.20 3.53 1i2mB1 HIS 270 HD2 -0.01 0.15 0.08 -0.04 6.97 7.15 1i2mB1 HIS 270 HE1 -0.04 -0.02 -0.10 -0.04 7.75 7.54 1i2mB1 GLN 271 H -0.05 -0.10 -0.30 -0.55 8.47 7.48 1i2mB1 GLN 271 HA 0.02 0.16 0.10 -0.75 4.36 3.89 1i2mB1 GLN 271 HB2 -0.91 0.07 -0.20 -0.04 2.15 1.06 1i2mB1 GLN 271 HB3 -0.17 -0.03 -0.32 -0.04 2.02 1.46 1i2mB1 GLN 271 HG2 -0.50 0.16 0.03 -0.04 2.40 2.04 1i2mB1 GLN 271 HG3 -1.18 0.05 -0.17 -0.04 2.39 1.05 1i2mB1 GLN 271 HE21 0.33 -0.11 0.01 -0.04 6.97 7.16 1i2mB1 GLN 271 HE22 0.21 0.27 0.01 -0.04 7.69 8.14 1i2mB1 LEU 272 H -0.09 -0.03 -0.52 -0.55 8.37 7.19 1i2mB1 LEU 272 HA 0.08 0.23 0.65 -0.75 4.35 4.55 1i2mB1 LEU 272 HB2 -0.10 -0.05 -0.20 -0.04 1.64 1.25 1i2mB1 LEU 272 HB3 -0.10 -0.01 -0.05 -0.04 1.64 1.45 1i2mB1 LEU 272 HG -0.37 0.08 -0.37 -0.04 1.64 0.94 1i2mB1 LEU 272 HD13 -0.16 -0.01 -0.50 -0.04 0.93 0.21 1i2mB1 LEU 272 HD23 -0.68 0.02 -0.21 -0.04 0.89 -0.02 1i2mB1 GLY 273 H 0.11 0.54 -0.39 -0.55 8.43 8.15 1i2mB1 GLY 273 HA2 0.08 0.28 0.29 -0.51 4.01 4.15 1i2mB1 GLY 273 HA3 0.11 0.01 0.76 -0.51 4.01 4.39 1i2mB1 THR 274 H 0.06 0.12 0.04 -0.55 8.28 7.95 1i2mB1 THR 274 HA 0.10 0.19 0.94 -0.75 4.39 4.86 1i2mB1 THR 274 HB 0.05 -0.02 0.13 -0.04 4.32 4.44 1i2mB1 THR 274 HG23 0.08 0.04 -0.12 -0.04 1.22 1.17 1i2mB1 PRO 275 HA 0.01 0.12 0.38 -0.51 4.44 4.44 1i2mB1 PRO 275 HB2 -0.03 -0.00 -0.09 -0.04 2.28 2.11 1i2mB1 PRO 275 HB3 -0.01 0.08 -0.01 -0.04 2.02 2.03 1i2mB1 PRO 275 HG2 -0.06 0.00 -0.21 -0.04 2.03 1.73 1i2mB1 PRO 275 HG3 -0.01 0.15 -0.22 -0.04 2.03 1.91 1i2mB1 PRO 275 HD2 -0.04 0.13 -0.10 -0.04 3.68 3.62 1i2mB1 PRO 275 HD3 0.03 0.05 -1.12 -0.04 3.65 2.56 1i2mB1 GLY 276 H -0.01 0.07 -0.44 -0.55 8.43 7.51 1i2mB1 GLY 276 HA2 -0.01 0.00 0.20 -0.51 4.01 3.70 1i2mB1 GLY 276 HA3 -0.00 0.18 0.54 -0.51 4.01 4.22 1i2mB1 THR 277 H -0.03 0.17 -0.31 -0.55 8.28 7.55 1i2mB1 THR 277 HA -0.03 0.13 0.59 -0.75 4.39 4.33 1i2mB1 THR 277 HB 0.01 0.14 -0.18 -0.04 4.32 4.25 1i2mB1 THR 277 HG23 0.01 0.01 -0.37 -0.04 1.22 0.83 1i2mB1 GLU 278 H -0.04 0.19 0.08 -0.55 8.60 8.29 1i2mB1 GLU 278 HA -0.10 0.11 0.24 -0.75 4.29 3.78 1i2mB1 GLU 278 HB2 -0.04 0.03 0.11 -0.04 2.09 2.15 1i2mB1 GLU 278 HB3 -0.06 -0.02 0.03 -0.04 1.99 1.90 1i2mB1 GLU 278 HG2 -0.14 -0.07 0.11 -0.04 2.34 2.20 1i2mB1 GLU 278 HG3 -0.11 0.03 -0.01 -0.04 2.34 2.21 1i2mB1 SER 279 H -0.00 0.13 -0.32 -0.55 8.46 7.73 1i2mB1 SER 279 HA -0.16 0.21 0.72 -0.75 4.49 4.50 1i2mB1 SER 279 HB2 0.18 -0.06 0.07 -0.04 3.95 4.09 1i2mB1 SER 279 HB3 -0.39 0.08 -0.13 -0.04 3.93 3.45 1i2mB1 CYS 280 H -0.17 0.83 0.10 -0.55 8.50 8.71 1i2mB1 CYS 280 HA 0.01 0.07 0.72 -0.75 4.58 4.62 1i2mB1 CYS 280 HB2 -0.05 -0.02 -0.06 -0.04 2.97 2.80 1i2mB1 CYS 280 HB3 -0.05 -0.11 0.17 -0.04 2.97 2.93 1i2mB1 PHE 281 H 0.26 0.18 0.10 -0.55 8.34 8.32 1i2mB1 PHE 281 HA -0.01 0.06 0.59 -0.75 4.62 4.51 1i2mB1 PHE 281 HB2 -0.04 -0.06 0.09 -0.04 3.15 3.09 1i2mB1 PHE 281 HB3 -0.05 0.18 0.02 -0.04 3.06 3.16 1i2mB1 PHE 281 HD2 -0.03 0.14 -0.05 -0.04 7.28 7.30 1i2mB1 PHE 281 HE2 -0.02 0.03 -0.09 -0.04 7.38 7.27 1i2mB1 PHE 281 HZ -0.02 0.13 -0.03 -0.04 7.32 7.37 1i2mB1 ILE 282 H 0.11 0.01 -0.04 -0.55 8.25 7.78 1i2mB1 ILE 282 HA -0.01 0.21 0.65 -0.75 4.18 4.27 1i2mB1 ILE 282 HB 0.04 -0.05 0.08 -0.04 1.89 1.92 1i2mB1 ILE 282 HG12 0.00 0.07 -0.08 -0.04 1.49 1.44 1i2mB1 ILE 282 HG13 0.05 -0.18 -0.04 -0.04 1.21 1.00 1i2mB1 ILE 282 HG23 0.02 0.09 -0.10 -0.04 0.93 0.90 1i2mB1 ILE 282 HD13 0.00 -0.00 -0.00 -0.04 0.88 0.83 1i2mB1 PRO 283 HA 0.25 0.16 0.34 -0.51 4.44 4.68 1i2mB1 PRO 283 HB2 0.07 -0.05 -0.05 -0.04 2.28 2.22 1i2mB1 PRO 283 HB3 0.13 -0.01 -0.08 -0.04 2.02 2.02 1i2mB1 PRO 283 HG2 -0.31 0.09 0.03 -0.04 2.03 1.80 1i2mB1 PRO 283 HG3 -0.88 -0.00 0.04 -0.04 2.03 1.14 1i2mB1 PRO 283 HD2 -0.08 0.04 0.16 -0.04 3.68 3.76 1i2mB1 PRO 283 HD3 -0.19 0.23 0.23 -0.04 3.65 3.88 1i2mB1 GLN 284 H 0.23 0.46 0.34 -0.55 8.47 8.95 1i2mB1 GLN 284 HA 0.13 0.14 0.92 -0.75 4.36 4.79 1i2mB1 GLN 284 HB2 0.06 0.13 -0.12 -0.04 2.15 2.17 1i2mB1 GLN 284 HB3 0.05 -0.02 0.08 -0.04 2.02 2.09 1i2mB1 GLN 284 HG2 0.00 0.02 -0.47 -0.04 2.40 1.90 1i2mB1 GLN 284 HG3 0.02 -0.01 -0.00 -0.04 2.39 2.36 1i2mB1 GLN 284 HE21 0.02 0.23 0.12 -0.04 6.97 7.30 1i2mB1 GLN 284 HE22 0.03 0.02 -0.00 -0.04 7.69 7.69 1i2mB1 ASN 285 H -0.06 0.17 0.09 -0.55 8.53 8.18 1i2mB1 ASN 285 HA -0.79 0.16 0.53 -0.75 4.76 3.91 1i2mB1 ASN 285 HB2 -0.38 -0.00 0.07 -0.04 2.88 2.54 1i2mB1 ASN 285 HB3 -0.16 -0.03 0.17 -0.04 2.79 2.72 1i2mB1 ASN 285 HD21 -0.43 -0.02 -0.05 -0.04 7.03 6.49 1i2mB1 ASN 285 HD22 -0.13 -0.00 -0.03 -0.04 7.74 7.54 1i2mB1 LEU 286 H -0.11 0.47 0.36 -0.55 8.37 8.55 1i2mB1 LEU 286 HA 0.03 -0.03 0.35 -0.75 4.35 3.95 1i2mB1 LEU 286 HB2 0.18 0.00 0.09 -0.04 1.64 1.87 1i2mB1 LEU 286 HB3 0.29 -0.04 0.00 -0.04 1.64 1.85 1i2mB1 LEU 286 HG -0.03 0.08 0.04 -0.04 1.64 1.69 1i2mB1 LEU 286 HD13 -0.02 0.02 -0.13 -0.04 0.93 0.76 1i2mB1 LEU 286 HD23 0.01 0.00 -0.05 -0.04 0.89 0.81 1i2mB1 THR 287 H 0.02 0.18 0.22 -0.55 8.28 8.16 1i2mB1 THR 287 HA 0.00 0.11 0.41 -0.75 4.39 4.16 1i2mB1 THR 287 HB -0.00 0.01 0.04 -0.04 4.32 4.33 1i2mB1 THR 287 HG23 -0.01 0.03 0.08 -0.04 1.22 1.28 1i2mB1 SER 288 H 0.04 0.05 -0.16 -0.55 8.46 7.84 1i2mB1 SER 288 HA -0.11 0.07 0.38 -0.75 4.49 4.07 1i2mB1 SER 288 HB2 -0.06 0.03 -0.00 -0.04 3.95 3.88 1i2mB1 SER 288 HB3 -0.41 0.02 0.12 -0.04 3.93 3.62 1i2mB1 PHE 289 H 0.17 0.34 -0.82 -0.55 8.34 7.48 1i2mB1 PHE 289 HA 0.04 0.22 0.87 -0.75 4.62 4.99 1i2mB1 PHE 289 HB2 -0.09 0.09 0.05 -0.04 3.15 3.16 1i2mB1 PHE 289 HB3 -0.29 -0.06 0.14 -0.04 3.06 2.81 1i2mB1 PHE 289 HD2 -1.05 -0.05 -0.16 -0.04 7.28 5.98 1i2mB1 PHE 289 HE2 -0.44 0.01 -0.27 -0.04 7.38 6.63 1i2mB1 PHE 289 HZ -0.10 0.02 -0.26 -0.04 7.32 6.93 1i2mB1 LYS 290 H 0.08 0.44 -0.15 -0.55 8.42 8.24 1i2mB1 LYS 290 HA 0.12 0.02 0.69 -0.75 4.32 4.41 1i2mB1 LYS 290 HB2 0.02 -0.02 0.13 -0.04 1.87 1.96 1i2mB1 LYS 290 HB3 0.03 0.02 0.23 -0.04 1.79 2.04 1i2mB1 LYS 290 HG2 -0.01 -0.05 0.00 -0.04 1.46 1.36 1i2mB1 LYS 290 HG3 0.03 0.11 -0.18 -0.04 1.46 1.38 1i2mB1 LYS 290 HD2 -0.00 0.00 0.04 -0.04 1.69 1.69 1i2mB1 LYS 290 HD3 -0.11 -0.03 -0.03 -0.04 1.68 1.47 1i2mB1 LYS 290 HE2 0.04 0.01 -0.17 -0.04 2.99 2.82 1i2mB1 LYS 290 HE3 -0.10 -0.03 -0.06 -0.04 2.99 2.76 1i2mB1 ASN 291 H 0.22 0.19 0.13 -0.55 8.53 8.53 1i2mB1 ASN 291 HA 0.10 0.08 0.40 -0.75 4.76 4.59 1i2mB1 ASN 291 HB2 -0.00 -0.43 0.32 -0.04 2.88 2.73 1i2mB1 ASN 291 HB3 0.08 -0.01 0.03 -0.04 2.79 2.85 1i2mB1 ASN 291 HD21 0.26 0.09 0.09 -0.04 7.03 7.43 1i2mB1 ASN 291 HD22 0.32 -0.13 0.07 -0.04 7.74 7.96 1i2mB1 SER 292 H 0.03 0.21 0.06 -0.55 8.46 8.21 1i2mB1 SER 292 HA 0.04 0.07 0.34 -0.75 4.49 4.19 1i2mB1 SER 292 HB2 0.01 -0.12 -0.12 -0.04 3.95 3.68 1i2mB1 SER 292 HB3 0.01 -0.02 0.02 -0.04 3.93 3.91 1i2mB1 THR 293 H -0.02 0.10 0.08 -0.55 8.28 7.89 1i2mB1 THR 293 HA -0.02 0.25 0.83 -0.75 4.39 4.69 1i2mB1 THR 293 HB -0.03 0.02 0.11 -0.04 4.32 4.38 1i2mB1 THR 293 HG23 -0.01 0.01 -0.09 -0.04 1.22 1.09 1i2mB1 LYS 294 H -0.06 -0.18 0.10 -0.55 8.42 7.73 1i2mB1 LYS 294 HA -0.21 0.17 0.78 -0.75 4.32 4.31 1i2mB1 LYS 294 HB2 -0.16 -0.09 0.10 -0.04 1.87 1.67 1i2mB1 LYS 294 HB3 -0.62 0.06 -0.14 -0.04 1.79 1.04 1i2mB1 LYS 294 HG2 -0.25 0.03 -0.07 -0.04 1.46 1.13 1i2mB1 LYS 294 HG3 -0.19 0.03 -0.06 -0.04 1.46 1.20 1i2mB1 LYS 294 HD2 -0.86 0.06 -0.12 -0.04 1.69 0.73 1i2mB1 LYS 294 HD3 -0.95 -0.06 -0.09 -0.04 1.68 0.55 1i2mB1 LYS 294 HE2 -0.18 0.04 -0.09 -0.04 2.99 2.72 1i2mB1 LYS 294 HE3 -0.55 0.02 -0.12 -0.04 2.99 2.30 1i2mB1 SER 295 H -0.29 0.11 0.16 -0.55 8.46 7.89 1i2mB1 SER 295 HA -0.02 0.24 0.89 -0.75 4.49 4.84 1i2mB1 SER 295 HB2 -0.07 -0.11 0.15 -0.04 3.95 3.89 1i2mB1 SER 295 HB3 0.01 0.12 -0.01 -0.04 3.93 4.01 1i2mB1 TRP 296 H 0.21 0.25 0.09 -0.55 7.97 7.96 1i2mB1 TRP 296 HA -0.04 0.05 0.71 -0.75 4.62 4.59 1i2mB1 TRP 296 HB2 0.24 0.05 0.08 -0.04 3.23 3.55 1i2mB1 TRP 296 HB3 0.05 0.03 -0.03 -0.04 3.23 3.24 1i2mB1 TRP 296 HD1 0.19 0.09 0.03 -0.04 7.22 7.49 1i2mB1 TRP 296 HE1 0.12 0.05 -0.16 -0.04 10.20 10.17 1i2mB1 TRP 296 HE3 -0.34 0.15 -0.20 -0.04 7.59 7.16 1i2mB1 TRP 296 HZ2 -0.28 0.06 -0.12 -0.04 7.44 7.06 1i2mB1 TRP 296 HZ3 -0.30 0.00 -0.37 -0.04 7.13 6.43 1i2mB1 TRP 296 HH2 -1.21 0.01 -0.21 -0.04 7.19 5.73 1i2mB1 VAL 297 H 0.12 0.53 0.40 -0.55 8.24 8.75 1i2mB1 VAL 297 HA 0.22 0.23 0.98 -0.75 4.13 4.81 1i2mB1 VAL 297 HB 0.11 0.02 0.02 -0.04 2.12 2.23 1i2mB1 VAL 297 HG13 0.06 0.01 -0.27 -0.04 0.97 0.73 1i2mB1 VAL 297 HG23 0.04 0.00 -0.31 -0.04 0.95 0.64 1i2mB1 GLY 298 H -0.11 0.27 0.26 -0.55 8.43 8.30 1i2mB1 GLY 298 HA2 -0.50 0.18 0.74 -0.51 4.01 3.92 1i2mB1 GLY 298 HA3 -0.15 0.05 0.29 -0.51 4.01 3.70 1i2mB1 PHE 299 H -1.18 0.32 0.18 -0.55 8.34 7.12 1i2mB1 PHE 299 HA -0.39 0.19 0.94 -0.75 4.62 4.61 1i2mB1 PHE 299 HB2 -0.76 -0.04 -0.08 -0.04 3.15 2.23 1i2mB1 PHE 299 HB3 -0.60 0.03 -0.12 -0.04 3.06 2.33 1i2mB1 PHE 299 HD2 -1.20 -0.01 -0.31 -0.04 7.28 5.71 1i2mB1 PHE 299 HE2 -0.97 0.01 -0.22 -0.04 7.38 6.15 1i2mB1 PHE 299 HZ -1.06 -0.00 -0.12 -0.04 7.32 6.09 1i2mB1 SER 300 H -0.03 0.56 0.34 -0.55 8.46 8.79 1i2mB1 SER 300 HA 0.06 0.18 0.68 -0.75 4.49 4.66 1i2mB1 SER 300 HB2 0.01 -0.13 0.17 -0.04 3.95 3.95 1i2mB1 SER 300 HB3 0.02 0.18 -0.13 -0.04 3.93 3.96 1i2mB1 GLY 301 H -0.04 0.37 0.30 -0.55 8.43 8.53 1i2mB1 GLY 301 HA2 -0.04 0.11 0.76 -0.51 4.01 4.33 1i2mB1 GLY 301 HA3 0.18 -0.01 0.46 -0.51 4.01 4.12 1i2mB1 GLY 302 H -0.37 0.43 0.21 -0.55 8.43 8.16 1i2mB1 GLY 302 HA2 -0.07 0.22 0.73 -0.51 4.01 4.37 1i2mB1 GLY 302 HA3 0.02 0.18 0.46 -0.51 4.01 4.16 1i2mB1 GLN 303 H 0.06 0.47 0.35 -0.55 8.47 8.80 1i2mB1 GLN 303 HA 0.07 0.02 0.59 -0.75 4.36 4.28 1i2mB1 GLN 303 HB2 -0.37 0.01 0.19 -0.04 2.15 1.94 1i2mB1 GLN 303 HB3 -0.12 -0.02 0.10 -0.04 2.02 1.93 1i2mB1 GLN 303 HG2 -0.04 -0.02 0.10 -0.04 2.40 2.40 1i2mB1 GLN 303 HG3 -0.03 0.10 0.26 -0.04 2.39 2.68 1i2mB1 GLN 303 HE21 0.06 0.01 0.03 -0.04 6.97 7.02 1i2mB1 GLN 303 HE22 0.05 -0.01 0.05 -0.04 7.69 7.74 1i2mB1 HIS 304 H 0.19 0.15 0.10 -0.55 8.41 8.30 1i2mB1 HIS 304 HA 0.14 0.19 0.92 -0.75 4.63 5.13 1i2mB1 HIS 304 HB2 -0.14 0.05 0.06 -0.04 3.26 3.20 1i2mB1 HIS 304 HB3 -0.36 -0.06 0.20 -0.04 3.20 2.93 1i2mB1 HIS 304 HD2 0.22 0.16 -0.15 -0.04 6.97 7.15 1i2mB1 HIS 304 HE1 0.05 0.02 -0.02 -0.04 7.75 7.76 1i2mB1 HIS 305 H 0.29 0.09 -0.04 -0.55 8.41 8.21 1i2mB1 HIS 305 HA 0.13 0.24 0.89 -0.75 4.63 5.13 1i2mB1 HIS 305 HB2 0.12 0.19 0.00 -0.04 3.26 3.53 1i2mB1 HIS 305 HB3 0.08 -0.01 -0.20 -0.04 3.20 3.02 1i2mB1 HIS 305 HD2 0.17 0.17 -0.28 -0.04 6.97 6.99 1i2mB1 HIS 305 HE1 -0.01 0.13 -0.17 -0.04 7.75 7.66 1i2mB1 THR 306 H 0.21 0.71 0.35 -0.55 8.28 9.00 1i2mB1 THR 306 HA 0.13 0.19 1.10 -0.75 4.39 5.05 1i2mB1 THR 306 HB 0.21 -0.04 0.04 -0.04 4.32 4.48 1i2mB1 THR 306 HG23 0.13 0.03 -0.16 -0.04 1.22 1.17 1i2mB1 VAL 307 H 0.06 0.57 0.23 -0.55 8.24 8.55 1i2mB1 VAL 307 HA 0.16 0.33 1.09 -0.75 4.13 4.96 1i2mB1 VAL 307 HB 0.13 -0.10 -0.01 -0.04 2.12 2.10 1i2mB1 VAL 307 HG13 0.31 0.02 -0.09 -0.04 0.97 1.18 1i2mB1 VAL 307 HG23 0.39 -0.02 -0.19 -0.04 0.95 1.09 1i2mB1 CYS 308 H 0.08 0.75 0.35 -0.55 8.50 9.14 1i2mB1 CYS 308 HA -0.28 0.18 0.84 -0.75 4.58 4.56 1i2mB1 CYS 308 HB2 -1.02 0.07 0.19 -0.04 2.97 2.18 1i2mB1 CYS 308 HB3 -0.97 -0.05 -0.01 -0.04 2.97 1.90 1i2mB1 MET 309 H -0.15 0.54 0.36 -0.55 8.47 8.67 1i2mB1 MET 309 HA 0.29 0.28 0.97 -0.75 4.52 5.30 1i2mB1 MET 309 HB2 0.06 0.08 -0.08 -0.04 2.15 2.18 1i2mB1 MET 309 HB3 0.07 -0.02 -0.30 -0.04 2.03 1.74 1i2mB1 MET 309 HG2 -0.04 -0.08 -0.07 -0.04 2.63 2.40 1i2mB1 MET 309 HG3 0.02 -0.06 -0.22 -0.04 2.56 2.25 1i2mB1 MET 309 HE3 0.03 0.06 -0.23 -0.04 2.10 1.92 1i2mB1 ASP 310 H 0.07 0.41 0.27 -0.55 8.40 8.60 1i2mB1 ASP 310 HA -0.17 0.17 1.14 -0.75 4.63 5.02 1i2mB1 ASP 310 HB2 -0.45 -0.07 0.19 -0.04 2.71 2.34 1i2mB1 ASP 310 HB3 -0.93 0.04 -0.03 -0.04 2.70 1.73 1i2mB1 SER 311 H -0.16 0.44 0.35 -0.55 8.46 8.54 1i2mB1 SER 311 HA -0.02 0.15 0.44 -0.75 4.49 4.31 1i2mB1 SER 311 HB2 -0.03 0.03 0.15 -0.04 3.95 4.07 1i2mB1 SER 311 HB3 -0.03 0.07 0.14 -0.04 3.93 4.06 1i2mB1 GLU 312 H -0.08 -0.06 -0.40 -0.55 8.60 7.52 1i2mB1 GLU 312 HA -0.03 0.26 0.83 -0.75 4.29 4.60 1i2mB1 GLU 312 HB2 -0.05 -0.08 0.02 -0.04 2.09 1.94 1i2mB1 GLU 312 HB3 -0.04 0.04 0.14 -0.04 1.99 2.09 1i2mB1 GLU 312 HG2 -0.04 0.09 -0.04 -0.04 2.34 2.31 1i2mB1 GLU 312 HG3 -0.08 -0.09 -0.05 -0.04 2.34 2.08 1i2mB1 GLY 313 H -0.02 0.42 -0.19 -0.55 8.43 8.09 1i2mB1 GLY 313 HA2 -0.00 0.31 0.37 -0.51 4.01 4.18 1i2mB1 GLY 313 HA3 -0.01 0.05 0.57 -0.51 4.01 4.10 1i2mB1 LYS 314 H -0.01 -0.08 -0.13 -0.55 8.42 7.65 1i2mB1 LYS 314 HA -0.11 0.26 0.80 -0.75 4.32 4.51 1i2mB1 LYS 314 HB2 0.07 -0.15 0.01 -0.04 1.87 1.76 1i2mB1 LYS 314 HB3 -0.32 0.08 -0.05 -0.04 1.79 1.46 1i2mB1 LYS 314 HG2 -0.10 0.11 -0.07 -0.04 1.46 1.35 1i2mB1 LYS 314 HG3 -0.05 0.01 -0.21 -0.04 1.46 1.17 1i2mB1 LYS 314 HD2 0.01 -0.08 -0.06 -0.04 1.69 1.52 1i2mB1 LYS 314 HD3 -0.08 0.01 -0.06 -0.04 1.68 1.52 1i2mB1 LYS 314 HE2 -0.06 0.05 -0.04 -0.04 2.99 2.90 1i2mB1 LYS 314 HE3 -0.04 0.02 -0.04 -0.04 2.99 2.89 1i2mB1 ALA 315 H -0.20 0.26 0.19 -0.55 8.40 8.11 1i2mB1 ALA 315 HA 0.12 0.27 1.04 -0.75 4.34 5.02 1i2mB1 ALA 315 HB3 0.00 0.02 0.01 -0.04 1.41 1.40 1i2mB1 TYR 316 H 0.29 0.85 0.40 -0.55 8.29 9.28 1i2mB1 TYR 316 HA 0.02 0.24 0.86 -0.75 4.56 4.93 1i2mB1 TYR 316 HB2 0.18 -0.05 -0.19 -0.04 3.06 2.96 1i2mB1 TYR 316 HB3 0.09 -0.06 -0.30 -0.04 2.98 2.67 1i2mB1 TYR 316 HD2 0.17 0.05 -0.50 -0.04 7.15 6.83 1i2mB1 TYR 316 HE2 -0.04 -0.04 -0.18 -0.04 6.85 6.55 1i2mB1 SER 317 H 0.12 0.56 0.34 -0.55 8.46 8.93 1i2mB1 SER 317 HA 0.16 0.31 1.10 -0.75 4.49 5.31 1i2mB1 SER 317 HB2 0.20 -0.00 0.15 -0.04 3.95 4.25 1i2mB1 SER 317 HB3 0.14 0.01 -0.08 -0.04 3.93 3.96 1i2mB1 LEU 318 H 0.16 0.61 0.37 -0.55 8.37 8.96 1i2mB1 LEU 318 HA 0.08 0.07 0.49 -0.75 4.35 4.24 1i2mB1 LEU 318 HB2 0.06 0.07 -0.22 -0.04 1.64 1.51 1i2mB1 LEU 318 HB3 0.04 0.05 -0.50 -0.04 1.64 1.18 1i2mB1 LEU 318 HG 0.16 -0.03 -0.27 -0.04 1.64 1.47 1i2mB1 LEU 318 HD13 0.15 0.03 -0.39 -0.04 0.93 0.68 1i2mB1 LEU 318 HD23 0.16 0.01 -0.31 -0.04 0.89 0.71 1i2mB1 GLY 319 H 0.09 0.54 0.32 -0.55 8.43 8.83 1i2mB1 GLY 319 HA2 0.18 0.34 0.34 -0.51 4.01 4.36 1i2mB1 GLY 319 HA3 0.17 0.08 1.00 -0.51 4.01 4.75 1i2mB1 ARG 320 H 0.14 0.59 0.34 -0.55 8.46 8.98 1i2mB1 ARG 320 HA 0.13 -0.04 0.51 -0.75 4.34 4.18 1i2mB1 ARG 320 HB2 -0.38 0.03 0.21 -0.04 1.90 1.73 1i2mB1 ARG 320 HB3 -0.11 0.01 0.05 -0.04 1.80 1.71 1i2mB1 ARG 320 HG2 -0.17 -0.20 -0.08 -0.04 1.67 1.17 1i2mB1 ARG 320 HG3 -0.14 0.01 0.10 -0.04 1.67 1.59 1i2mB1 ARG 320 HD2 -1.45 0.02 0.03 -0.04 3.22 1.78 1i2mB1 ARG 320 HD3 -0.24 0.01 -0.02 -0.04 3.22 2.92 1i2mB1 ALA 321 H 0.04 0.05 0.14 -0.55 8.40 8.08 1i2mB1 ALA 321 HA -0.04 0.21 0.66 -0.75 4.34 4.42 1i2mB1 ALA 321 HB3 0.12 0.05 -0.32 -0.04 1.41 1.22 1i2mB1 GLU 322 H -0.12 0.04 -0.03 -0.55 8.60 7.94 1i2mB1 GLU 322 HA -0.11 0.04 0.33 -0.75 4.29 3.79 1i2mB1 GLU 322 HB2 -0.24 0.01 0.13 -0.04 2.09 1.95 1i2mB1 GLU 322 HB3 -0.55 0.03 0.02 -0.04 1.99 1.45 1i2mB1 GLU 322 HG2 -0.62 0.05 0.02 -0.04 2.34 1.75 1i2mB1 GLU 322 HG3 -2.20 0.01 -0.05 -0.04 2.34 0.06 1i2mB1 TYR 323 H -0.19 0.15 0.17 -0.55 8.29 7.87 1i2mB1 TYR 323 HA -0.25 0.01 0.31 -0.75 4.56 3.88 1i2mB1 TYR 323 HB2 -0.25 0.23 0.08 -0.04 3.06 3.08 1i2mB1 TYR 323 HB3 -0.20 -0.09 0.16 -0.04 2.98 2.81 1i2mB1 TYR 323 HD2 -0.01 0.04 0.01 -0.04 7.15 7.14 1i2mB1 TYR 323 HE2 0.03 0.03 -0.00 -0.04 6.85 6.87 1i2mB1 GLY 324 H -1.63 0.32 -0.38 -0.55 8.43 6.19 1i2mB1 GLY 324 HA2 -1.13 0.05 0.27 -0.51 4.01 2.69 1i2mB1 GLY 324 HA3 -1.33 0.05 0.29 -0.51 4.01 2.51 1i2mB1 ARG 325 H -0.36 0.36 -0.32 -0.55 8.46 7.58 1i2mB1 ARG 325 HA -0.03 0.08 0.13 -0.75 4.34 3.76 1i2mB1 ARG 325 HB2 -0.81 -0.03 -0.19 -0.04 1.90 0.82 1i2mB1 ARG 325 HB3 -0.33 0.05 -0.05 -0.04 1.80 1.42 1i2mB1 ARG 325 HG2 -0.22 -0.07 -0.20 -0.04 1.67 1.15 1i2mB1 ARG 325 HG3 -0.23 0.07 -0.34 -0.04 1.67 1.14 1i2mB1 ARG 325 HD2 -0.11 0.01 -0.21 -0.04 3.22 2.88 1i2mB1 ARG 325 HD3 -0.41 -0.11 -0.12 -0.04 3.22 2.55 1i2mB1 LEU 326 H -0.07 -0.00 -0.54 -0.55 8.37 7.21 1i2mB1 LEU 326 HA 0.17 0.19 0.52 -0.75 4.35 4.48 1i2mB1 LEU 326 HB2 0.01 -0.10 -0.10 -0.04 1.64 1.40 1i2mB1 LEU 326 HB3 0.02 0.06 -0.10 -0.04 1.64 1.58 1i2mB1 LEU 326 HG 0.01 -0.04 -0.23 -0.04 1.64 1.34 1i2mB1 LEU 326 HD13 0.06 0.02 -0.29 -0.04 0.93 0.67 1i2mB1 LEU 326 HD23 0.13 -0.00 -0.48 -0.04 0.89 0.50 1i2mB1 GLY 327 H -0.09 0.32 -0.23 -0.55 8.43 7.88 1i2mB1 GLY 327 HA2 -0.39 0.08 0.06 -0.51 4.01 3.25 1i2mB1 GLY 327 HA3 -1.46 0.07 0.21 -0.51 4.01 2.32 1i2mB1 LEU 328 H -0.07 -0.03 -0.28 -0.55 8.37 7.44 1i2mB1 LEU 328 HA -0.13 0.16 0.72 -0.75 4.35 4.35 1i2mB1 LEU 328 HB2 0.02 -0.07 -0.03 -0.04 1.64 1.52 1i2mB1 LEU 328 HB3 -0.03 -0.01 0.12 -0.04 1.64 1.69 1i2mB1 LEU 328 HG -0.07 0.02 -0.32 -0.04 1.64 1.24 1i2mB1 LEU 328 HD13 0.01 -0.01 -0.06 -0.04 0.93 0.83 1i2mB1 LEU 328 HD23 -0.10 0.03 -0.18 -0.04 0.89 0.60 1i2mB1 GLY 329 H 0.05 0.58 -0.16 -0.55 8.43 8.36 1i2mB1 GLY 329 HA2 0.10 -0.07 0.08 -0.51 4.01 3.61 1i2mB1 GLY 329 HA3 0.03 0.21 0.67 -0.51 4.01 4.41 1i2mB1 GLU 330 H 0.02 0.11 0.08 -0.55 8.60 8.26 1i2mB1 GLU 330 HA -0.36 -0.00 0.48 -0.75 4.29 3.65 1i2mB1 GLU 330 HB2 -0.16 0.05 0.10 -0.04 2.09 2.03 1i2mB1 GLU 330 HB3 -0.43 0.02 0.04 -0.04 1.99 1.58 1i2mB1 GLU 330 HG2 -0.67 -0.04 0.02 -0.04 2.34 1.62 1i2mB1 GLU 330 HG3 -0.05 -0.03 0.04 -0.04 2.34 2.27 1i2mB1 GLY 331 H -0.72 0.08 0.15 -0.55 8.43 7.39 1i2mB1 GLY 331 HA2 -0.21 -0.02 0.32 -0.51 4.01 3.58 1i2mB1 GLY 331 HA3 -0.13 0.13 0.49 -0.51 4.01 3.99 1i2mB1 ALA 332 H 0.13 0.15 -0.44 -0.55 8.40 7.68 1i2mB1 ALA 332 HA 0.07 0.07 0.27 -0.75 4.34 4.00 1i2mB1 ALA 332 HB3 0.22 0.03 -0.06 -0.04 1.41 1.56 1i2mB1 GLU 333 H 0.06 0.21 0.15 -0.55 8.60 8.47 1i2mB1 GLU 333 HA 0.09 0.08 0.87 -0.75 4.29 4.57 1i2mB1 GLU 333 HB2 0.02 0.04 0.04 -0.04 2.09 2.15 1i2mB1 GLU 333 HB3 0.03 -0.06 0.12 -0.04 1.99 2.03 1i2mB1 GLU 333 HG2 0.03 -0.03 -0.06 -0.04 2.34 2.24 1i2mB1 GLU 333 HG3 0.02 0.19 -0.21 -0.04 2.34 2.31 1i2mB1 GLU 334 H 0.06 0.04 0.14 -0.55 8.60 8.29 1i2mB1 GLU 334 HA 0.07 0.21 0.46 -0.75 4.29 4.27 1i2mB1 GLU 334 HB2 0.10 -0.14 0.17 -0.04 2.09 2.18 1i2mB1 GLU 334 HB3 0.03 -0.01 0.06 -0.04 1.99 2.03 1i2mB1 GLU 334 HG2 0.06 0.08 -0.28 -0.04 2.34 2.16 1i2mB1 GLU 334 HG3 0.18 0.09 -0.28 -0.04 2.34 2.29 1i2mB1 LYS 335 H 0.04 0.49 0.34 -0.55 8.42 8.73 1i2mB1 LYS 335 HA -0.05 0.15 1.00 -0.75 4.32 4.66 1i2mB1 LYS 335 HB2 0.03 -0.11 0.21 -0.04 1.87 1.96 1i2mB1 LYS 335 HB3 -0.01 0.09 0.16 -0.04 1.79 1.99 1i2mB1 LYS 335 HG2 0.02 0.16 -0.07 -0.04 1.46 1.54 1i2mB1 LYS 335 HG3 0.02 0.03 0.01 -0.04 1.46 1.49 1i2mB1 LYS 335 HD2 -0.01 -0.01 0.04 -0.04 1.69 1.67 1i2mB1 LYS 335 HD3 -0.01 0.06 -0.04 -0.04 1.68 1.64 1i2mB1 LYS 335 HE2 0.02 0.02 -0.01 -0.04 2.99 2.98 1i2mB1 LYS 335 HE3 0.01 0.00 -0.00 -0.04 2.99 2.95 1i2mB1 SER 336 H -0.11 0.16 0.17 -0.55 8.46 8.13 1i2mB1 SER 336 HA -0.02 0.26 0.90 -0.75 4.49 4.87 1i2mB1 SER 336 HB2 -0.04 0.00 0.00 -0.04 3.95 3.87 1i2mB1 SER 336 HB3 -0.61 -0.01 -0.06 -0.04 3.93 3.22 1i2mB1 ILE 337 H -0.06 0.14 0.04 -0.55 8.25 7.82 1i2mB1 ILE 337 HA -0.19 0.19 0.77 -0.75 4.18 4.19 1i2mB1 ILE 337 HB -0.12 0.16 0.05 -0.04 1.89 1.93 1i2mB1 ILE 337 HG12 -0.05 -0.19 0.02 -0.04 1.49 1.23 1i2mB1 ILE 337 HG13 -0.04 0.09 -0.26 -0.04 1.21 0.96 1i2mB1 ILE 337 HG23 -0.08 -0.04 -0.17 -0.04 0.93 0.61 1i2mB1 ILE 337 HD13 -0.03 0.01 -0.04 -0.04 0.88 0.77 1i2mB1 PRO 338 HA -0.01 0.10 0.23 -0.51 4.44 4.25 1i2mB1 PRO 338 HB2 -0.08 -0.02 -0.16 -0.04 2.28 1.98 1i2mB1 PRO 338 HB3 -0.34 0.01 -0.13 -0.04 2.02 1.51 1i2mB1 PRO 338 HG2 -0.21 0.00 0.06 -0.04 2.03 1.84 1i2mB1 PRO 338 HG3 -0.91 0.05 -0.03 -0.04 2.03 1.10 1i2mB1 PRO 338 HD2 -0.47 0.17 0.21 -0.04 3.68 3.55 1i2mB1 PRO 338 HD3 -1.04 0.07 -0.04 -0.04 3.65 2.59 1i2mB1 THR 339 H 0.11 0.65 0.36 -0.55 8.28 8.86 1i2mB1 THR 339 HA 0.13 0.09 0.91 -0.75 4.39 4.77 1i2mB1 THR 339 HB 0.03 0.04 0.19 -0.04 4.32 4.55 1i2mB1 THR 339 HG23 0.00 0.02 -0.05 -0.04 1.22 1.15 1i2mB1 LEU 340 H 0.10 0.11 0.12 -0.55 8.37 8.16 1i2mB1 LEU 340 HA -0.56 0.15 0.44 -0.75 4.35 3.62 1i2mB1 LEU 340 HB2 -0.11 -0.01 0.07 -0.04 1.64 1.54 1i2mB1 LEU 340 HB3 -0.09 -0.05 0.12 -0.04 1.64 1.58 1i2mB1 LEU 340 HG -0.24 -0.01 -0.49 -0.04 1.64 0.85 1i2mB1 LEU 340 HD13 -0.56 0.06 -0.05 -0.04 0.93 0.33 1i2mB1 LEU 340 HD23 -0.10 -0.01 -0.05 -0.04 0.89 0.68 1i2mB1 ILE 341 H -0.36 0.73 0.32 -0.55 8.25 8.39 1i2mB1 ILE 341 HA -0.24 0.11 0.68 -0.75 4.18 3.98 1i2mB1 ILE 341 HB -0.29 -0.02 0.12 -0.04 1.89 1.66 1i2mB1 ILE 341 HG12 -0.32 0.13 -0.12 -0.04 1.49 1.14 1i2mB1 ILE 341 HG13 -0.17 -0.02 -0.12 -0.04 1.21 0.86 1i2mB1 ILE 341 HG23 -0.56 0.02 -0.10 -0.04 0.93 0.25 1i2mB1 ILE 341 HD13 -0.31 -0.03 -0.24 -0.04 0.88 0.25 1i2mB1 SER 342 H -0.16 0.25 0.05 -0.55 8.46 8.06 1i2mB1 SER 342 HA -0.16 0.13 0.46 -0.75 4.49 4.16 1i2mB1 SER 342 HB2 -0.09 -0.01 0.03 -0.04 3.95 3.84 1i2mB1 SER 342 HB3 -0.10 0.00 0.04 -0.04 3.93 3.83 1i2mB1 ARG 343 H -0.17 0.11 -0.13 -0.55 8.46 7.72 1i2mB1 ARG 343 HA -0.10 0.11 0.48 -0.75 4.34 4.07 1i2mB1 ARG 343 HB2 -0.13 0.04 0.09 -0.04 1.90 1.87 1i2mB1 ARG 343 HB3 -0.05 0.01 0.18 -0.04 1.80 1.90 1i2mB1 ARG 343 HG2 -0.06 0.00 -0.03 -0.04 1.67 1.54 1i2mB1 ARG 343 HG3 -0.09 -0.02 0.03 -0.04 1.67 1.55 1i2mB1 ARG 343 HD2 -0.03 -0.01 0.01 -0.04 3.22 3.16 1i2mB1 ARG 343 HD3 -0.01 0.01 0.01 -0.04 3.22 3.19 1i2mB1 LEU 344 H -0.20 0.34 -0.80 -0.55 8.37 7.16 1i2mB1 LEU 344 HA -0.47 0.16 0.96 -0.75 4.35 4.25 1i2mB1 LEU 344 HB2 -0.24 0.10 0.02 -0.04 1.64 1.48 1i2mB1 LEU 344 HB3 -0.25 0.15 -0.08 -0.04 1.64 1.41 1i2mB1 LEU 344 HG -0.33 -0.08 -0.36 -0.04 1.64 0.82 1i2mB1 LEU 344 HD13 -0.16 -0.00 -0.12 -0.04 0.93 0.61 1i2mB1 LEU 344 HD23 -0.44 0.00 -0.10 -0.04 0.89 0.31 1i2mB1 PRO 345 HA -0.09 0.07 0.46 -0.51 4.44 4.37 1i2mB1 PRO 345 HB2 -0.04 0.04 0.02 -0.04 2.28 2.25 1i2mB1 PRO 345 HB3 -0.02 -0.02 0.14 -0.04 2.02 2.08 1i2mB1 PRO 345 HG2 0.01 -0.00 0.02 -0.04 2.03 2.02 1i2mB1 PRO 345 HG3 -0.07 0.05 -0.00 -0.04 2.03 1.96 1i2mB1 PRO 345 HD2 -0.62 0.08 0.08 -0.04 3.68 3.17 1i2mB1 PRO 345 HD3 -0.64 0.21 0.15 -0.04 3.65 3.33 1i2mB1 ALA 346 H -0.04 0.02 0.17 -0.55 8.40 8.01 1i2mB1 ALA 346 HA -0.04 0.22 0.48 -0.75 4.34 4.25 1i2mB1 ALA 346 HB3 -0.01 -0.01 0.14 -0.04 1.41 1.49 1i2mB1 VAL 347 H -0.02 0.69 0.41 -0.55 8.24 8.76 1i2mB1 VAL 347 HA 0.03 0.07 0.98 -0.75 4.13 4.45 1i2mB1 VAL 347 HB 0.01 -0.01 -0.11 -0.04 2.12 1.97 1i2mB1 VAL 347 HG13 0.07 0.01 -0.21 -0.04 0.97 0.79 1i2mB1 VAL 347 HG23 -0.01 0.05 -0.17 -0.04 0.95 0.78 1i2mB1 SER 348 H 0.05 0.74 0.34 -0.55 8.46 9.05 1i2mB1 SER 348 HA 0.03 0.14 0.84 -0.75 4.49 4.75 1i2mB1 SER 348 HB2 0.04 0.01 0.04 -0.04 3.95 4.00 1i2mB1 SER 348 HB3 0.04 -0.09 -0.11 -0.04 3.93 3.72 1i2mB1 SER 349 H 0.06 0.32 0.27 -0.55 8.46 8.56 1i2mB1 SER 349 HA 0.06 0.10 0.45 -0.75 4.49 4.34 1i2mB1 SER 349 HB2 0.06 0.03 0.16 -0.04 3.95 4.17 1i2mB1 SER 349 HB3 0.06 0.18 -0.13 -0.04 3.93 3.99 1i2mB1 VAL 350 H 0.05 0.26 0.16 -0.55 8.24 8.16 1i2mB1 VAL 350 HA 0.11 0.21 0.92 -0.75 4.13 4.61 1i2mB1 VAL 350 HB 0.12 0.04 0.01 -0.04 2.12 2.25 1i2mB1 VAL 350 HG13 0.13 -0.01 -0.29 -0.04 0.97 0.76 1i2mB1 VAL 350 HG23 -0.00 -0.02 -0.34 -0.04 0.95 0.55 1i2mB1 ALA 351 H 0.07 0.54 0.27 -0.55 8.40 8.73 1i2mB1 ALA 351 HA 0.02 0.10 0.65 -0.75 4.34 4.36 1i2mB1 ALA 351 HB3 -0.02 0.02 -0.11 -0.04 1.41 1.27 1i2mB1 CYS 352 H -0.01 0.27 0.25 -0.55 8.50 8.47 1i2mB1 CYS 352 HA 0.03 0.22 1.05 -0.75 4.58 5.13 1i2mB1 CYS 352 HB2 -0.08 -0.07 -0.16 -0.04 2.97 2.62 1i2mB1 CYS 352 HB3 -0.12 0.15 -0.16 -0.04 2.97 2.80 1i2mB1 GLY 353 H 0.06 0.53 0.17 -0.55 8.43 8.64 1i2mB1 GLY 353 HA2 -0.01 0.35 0.63 -0.51 4.01 4.47 1i2mB1 GLY 353 HA3 0.05 -0.01 0.27 -0.51 4.01 3.81 1i2mB1 ALA 354 H 0.01 0.55 0.19 -0.55 8.40 8.60 1i2mB1 ALA 354 HA 0.01 -0.04 0.47 -0.75 4.34 4.03 1i2mB1 ALA 354 HB3 0.01 0.02 0.19 -0.04 1.41 1.58 1i2mB1 SER 355 H 0.01 0.13 -0.13 -0.55 8.46 7.92 1i2mB1 SER 355 HA -0.05 0.16 0.79 -0.75 4.49 4.64 1i2mB1 SER 355 HB2 -0.03 0.00 0.07 -0.04 3.95 3.96 1i2mB1 SER 355 HB3 0.00 -0.01 0.19 -0.04 3.93 4.07 1i2mB1 VAL 356 H 0.01 0.16 -0.11 -0.55 8.24 7.74 1i2mB1 VAL 356 HA -0.31 0.21 0.98 -0.75 4.13 4.25 1i2mB1 VAL 356 HB -0.53 0.21 0.03 -0.04 2.12 1.79 1i2mB1 VAL 356 HG13 -0.14 -0.08 -0.28 -0.04 0.97 0.43 1i2mB1 VAL 356 HG23 0.00 -0.06 -0.16 -0.04 0.95 0.69 1i2mB1 GLY 357 H -1.06 0.71 0.32 -0.55 8.43 7.85 1i2mB1 GLY 357 HA2 -0.41 0.20 1.02 -0.51 4.01 4.31 1i2mB1 GLY 357 HA3 -1.13 0.08 0.25 -0.51 4.01 2.70 1i2mB1 TYR 358 H -0.40 0.61 0.36 -0.55 8.29 8.31 1i2mB1 TYR 358 HA -0.63 0.31 0.94 -0.75 4.56 4.44 1i2mB1 TYR 358 HB2 -0.17 -0.08 -0.13 -0.04 3.06 2.64 1i2mB1 TYR 358 HB3 -0.11 0.03 -0.03 -0.04 2.98 2.83 1i2mB1 TYR 358 HD2 -0.17 0.05 -0.34 -0.04 7.15 6.65 1i2mB1 TYR 358 HE2 -0.13 0.00 -0.24 -0.04 6.85 6.45 1i2mB1 ALA 359 H 0.25 0.54 0.28 -0.55 8.40 8.93 1i2mB1 ALA 359 HA 0.19 0.23 0.87 -0.75 4.34 4.87 1i2mB1 ALA 359 HB3 0.35 -0.00 -0.07 -0.04 1.41 1.65 1i2mB1 VAL 360 H 0.12 0.68 0.29 -0.55 8.24 8.77 1i2mB1 VAL 360 HA 0.15 0.23 1.02 -0.75 4.13 4.78 1i2mB1 VAL 360 HB 0.07 -0.08 0.09 -0.04 2.12 2.16 1i2mB1 VAL 360 HG13 0.06 0.07 -0.20 -0.04 0.97 0.86 1i2mB1 VAL 360 HG23 0.05 -0.03 -0.26 -0.04 0.95 0.67 1i2mB1 THR 361 H 0.17 0.60 0.26 -0.55 8.28 8.76 1i2mB1 THR 361 HA 0.06 0.22 0.75 -0.75 4.39 4.67 1i2mB1 THR 361 HB 0.07 0.00 0.14 -0.04 4.32 4.50 1i2mB1 THR 361 HG23 0.20 0.05 -0.11 -0.04 1.22 1.32 1i2mB1 LYS 362 H 0.03 0.57 0.17 -0.55 8.42 8.64 1i2mB1 LYS 362 HA 0.03 0.13 0.37 -0.75 4.32 4.10 1i2mB1 LYS 362 HB2 0.02 -0.07 0.07 -0.04 1.87 1.85 1i2mB1 LYS 362 HB3 0.02 0.03 0.02 -0.04 1.79 1.81 1i2mB1 LYS 362 HG2 0.01 0.05 -0.38 -0.04 1.46 1.11 1i2mB1 LYS 362 HG3 0.01 -0.03 -0.06 -0.04 1.46 1.34 1i2mB1 LYS 362 HD2 0.02 -0.01 -0.04 -0.04 1.69 1.61 1i2mB1 LYS 362 HD3 0.02 -0.01 -0.21 -0.04 1.68 1.44 1i2mB1 LYS 362 HE2 0.01 0.23 -0.23 -0.04 2.99 2.96 1i2mB1 LYS 362 HE3 0.00 -0.06 -0.09 -0.04 2.99 2.80 1i2mB1 ASP 363 H 0.05 0.02 -0.18 -0.55 8.40 7.74 1i2mB1 ASP 363 HA 0.03 0.19 0.53 -0.75 4.63 4.63 1i2mB1 ASP 363 HB2 0.04 0.04 0.14 -0.04 2.71 2.89 1i2mB1 ASP 363 HB3 0.04 -0.01 0.07 -0.04 2.70 2.76 1i2mB1 GLY 364 H 0.06 0.46 -0.56 -0.55 8.43 7.84 1i2mB1 GLY 364 HA2 0.05 0.28 0.34 -0.51 4.01 4.17 1i2mB1 GLY 364 HA3 0.04 0.09 0.64 -0.51 4.01 4.27 1i2mB1 ARG 365 H 0.11 -0.05 -0.03 -0.55 8.46 7.93 1i2mB1 ARG 365 HA 0.03 0.25 0.88 -0.75 4.34 4.74 1i2mB1 ARG 365 HB2 0.23 -0.10 0.03 -0.04 1.90 2.01 1i2mB1 ARG 365 HB3 0.02 0.03 0.06 -0.04 1.80 1.86 1i2mB1 ARG 365 HG2 0.01 0.09 0.02 -0.04 1.67 1.75 1i2mB1 ARG 365 HG3 0.06 0.03 -0.16 -0.04 1.67 1.56 1i2mB1 ARG 365 HD2 0.04 0.00 -0.01 -0.04 3.22 3.21 1i2mB1 ARG 365 HD3 0.05 0.01 -0.02 -0.04 3.22 3.22 1i2mB1 VAL 366 H -0.02 0.26 0.23 -0.55 8.24 8.15 1i2mB1 VAL 366 HA 0.22 0.30 1.14 -0.75 4.13 5.03 1i2mB1 VAL 366 HB 0.05 0.02 -0.15 -0.04 2.12 2.00 1i2mB1 VAL 366 HG13 0.01 -0.01 0.01 -0.04 0.97 0.93 1i2mB1 VAL 366 HG23 0.11 0.02 -0.18 -0.04 0.95 0.86 1i2mB1 PHE 367 H 0.46 0.68 0.36 -0.55 8.34 9.29 1i2mB1 PHE 367 HA 0.14 0.26 0.95 -0.75 4.62 5.21 1i2mB1 PHE 367 HB2 0.29 0.01 0.03 -0.04 3.15 3.44 1i2mB1 PHE 367 HB3 0.29 -0.04 -0.12 -0.04 3.06 3.16 1i2mB1 PHE 367 HD2 0.11 -0.01 -0.34 -0.04 7.28 6.99 1i2mB1 PHE 367 HE2 0.05 -0.02 -0.10 -0.04 7.38 7.26 1i2mB1 PHE 367 HZ 0.04 -0.02 -0.04 -0.04 7.32 7.25 1i2mB1 ALA 368 H 0.23 0.56 0.38 -0.55 8.40 9.03 1i2mB1 ALA 368 HA -0.47 0.32 1.03 -0.75 4.34 4.47 1i2mB1 ALA 368 HB3 -0.12 0.01 -0.00 -0.04 1.41 1.26 1i2mB1 TRP 369 H -0.80 0.56 0.33 -0.55 7.97 7.52 1i2mB1 TRP 369 HA -0.09 0.07 0.53 -0.75 4.62 4.37 1i2mB1 TRP 369 HB2 -0.08 0.13 -0.14 -0.04 3.23 3.10 1i2mB1 TRP 369 HB3 -0.03 0.01 -0.49 -0.04 3.23 2.68 1i2mB1 TRP 369 HD1 -0.15 0.04 -0.41 -0.04 7.22 6.66 1i2mB1 TRP 369 HE1 -0.01 0.27 -0.34 -0.04 10.20 10.08 1i2mB1 TRP 369 HE3 0.03 -0.09 -0.54 -0.04 7.59 6.94 1i2mB1 TRP 369 HZ2 0.03 0.02 -0.19 -0.04 7.44 7.26 1i2mB1 TRP 369 HZ3 0.06 -0.01 -0.35 -0.04 7.13 6.79 1i2mB1 TRP 369 HH2 0.03 0.06 -0.37 -0.04 7.19 6.87 1i2mB1 GLY 370 H 0.03 0.67 0.28 -0.55 8.43 8.86 1i2mB1 GLY 370 HA2 -0.18 -0.02 -0.16 -0.51 4.01 3.15 1i2mB1 GLY 370 HA3 -0.20 0.15 0.99 -0.51 4.01 4.43 1i2mB1 MET 371 H -0.14 0.51 0.24 -0.55 8.47 8.54 1i2mB1 MET 371 HA -0.13 -0.05 0.51 -0.75 4.52 4.10 1i2mB1 MET 371 HB2 -0.04 0.09 0.19 -0.04 2.15 2.35 1i2mB1 MET 371 HB3 -0.10 -0.02 0.09 -0.04 2.03 1.96 1i2mB1 MET 371 HG2 -0.20 -0.25 -0.05 -0.04 2.63 2.08 1i2mB1 MET 371 HG3 -0.44 0.00 0.10 -0.04 2.56 2.18 1i2mB1 MET 371 HE3 -0.07 -0.01 -0.02 -0.04 2.10 1.96 1i2mB1 GLY 372 H -0.13 0.10 0.08 -0.55 8.43 7.93 1i2mB1 GLY 372 HA2 -0.11 0.09 0.58 -0.51 4.01 4.05 1i2mB1 GLY 372 HA3 -0.11 0.24 -0.16 -0.51 4.01 3.47 1i2mB1 THR 373 H -0.18 0.01 -0.11 -0.55 8.28 7.45 1i2mB1 THR 373 HA -0.24 0.13 0.38 -0.75 4.39 3.90 1i2mB1 THR 373 HB -0.14 -0.02 0.04 -0.04 4.32 4.16 1i2mB1 THR 373 HG23 -0.10 0.01 -0.05 -0.04 1.22 1.05 1i2mB1 ASN 374 H -0.10 0.09 -0.30 -0.55 8.53 7.67 1i2mB1 ASN 374 HA 0.01 0.19 0.69 -0.75 4.76 4.89 1i2mB1 ASN 374 HB2 0.01 -0.02 -0.01 -0.04 2.88 2.82 1i2mB1 ASN 374 HB3 0.05 0.14 0.25 -0.04 2.79 3.20 1i2mB1 ASN 374 HD21 -0.01 -0.02 0.05 -0.04 7.03 7.01 1i2mB1 ASN 374 HD22 -0.01 0.05 0.08 -0.04 7.74 7.82 1i2mB1 TYR 375 H -0.26 0.52 -0.31 -0.55 8.29 7.69 1i2mB1 TYR 375 HA 0.01 0.08 0.28 -0.75 4.56 4.17 1i2mB1 TYR 375 HB2 0.01 0.21 -0.07 -0.04 3.06 3.17 1i2mB1 TYR 375 HB3 0.01 0.00 0.21 -0.04 2.98 3.17 1i2mB1 TYR 375 HD2 0.01 -0.00 -0.26 -0.04 7.15 6.85 1i2mB1 TYR 375 HE2 0.00 -0.01 -0.18 -0.04 6.85 6.63 1i2mB1 GLN 376 H 0.02 0.04 -0.25 -0.55 8.47 7.73 1i2mB1 GLN 376 HA 0.10 0.22 0.36 -0.75 4.36 4.28 1i2mB1 GLN 376 HB2 0.02 -0.00 -0.15 -0.04 2.15 1.97 1i2mB1 GLN 376 HB3 0.15 0.04 -0.19 -0.04 2.02 1.98 1i2mB1 GLN 376 HG2 0.06 0.01 -0.52 -0.04 2.40 1.91 1i2mB1 GLN 376 HG3 0.06 0.03 -0.41 -0.04 2.39 2.03 1i2mB1 GLN 376 HE21 0.02 0.07 -0.27 -0.04 6.97 6.75 1i2mB1 GLN 376 HE22 0.01 0.22 -0.34 -0.04 7.69 7.53 1i2mB1 LEU 377 H 0.03 -0.00 -0.22 -0.55 8.37 7.62 1i2mB1 LEU 377 HA -0.00 0.17 0.33 -0.75 4.35 4.09 1i2mB1 LEU 377 HB2 0.02 -0.07 -0.01 -0.04 1.64 1.53 1i2mB1 LEU 377 HB3 0.01 0.07 -0.09 -0.04 1.64 1.59 1i2mB1 LEU 377 HG -0.06 -0.10 -0.16 -0.04 1.64 1.28 1i2mB1 LEU 377 HD13 -0.02 0.04 -0.15 -0.04 0.93 0.76 1i2mB1 LEU 377 HD23 -0.15 0.02 -0.44 -0.04 0.89 0.28 1i2mB1 GLY 378 H 0.09 0.11 -0.34 -0.55 8.43 7.74 1i2mB1 GLY 378 HA2 0.06 0.21 0.27 -0.51 4.01 4.05 1i2mB1 GLY 378 HA3 0.05 0.12 0.37 -0.51 4.01 4.04 1i2mB1 THR 379 H 0.07 -0.02 -0.22 -0.55 8.28 7.56 1i2mB1 THR 379 HA 0.03 0.23 0.60 -0.75 4.39 4.49 1i2mB1 THR 379 HB 0.05 0.00 0.05 -0.04 4.32 4.37 1i2mB1 THR 379 HG23 0.04 0.02 -0.14 -0.04 1.22 1.11 1i2mB1 GLY 380 H 0.11 0.10 -0.05 -0.55 8.43 8.05 1i2mB1 GLY 380 HA2 0.06 0.04 0.24 -0.51 4.01 3.84 1i2mB1 GLY 380 HA3 0.05 0.19 0.72 -0.51 4.01 4.46 1i2mB1 GLN 381 H 0.11 0.03 -0.30 -0.55 8.47 7.76 1i2mB1 GLN 381 HA 0.21 0.23 0.88 -0.75 4.36 4.93 1i2mB1 GLN 381 HB2 0.06 0.04 -0.03 -0.04 2.15 2.18 1i2mB1 GLN 381 HB3 0.05 -0.15 0.08 -0.04 2.02 1.96 1i2mB1 GLN 381 HG2 0.06 0.07 -0.28 -0.04 2.40 2.22 1i2mB1 GLN 381 HG3 0.05 0.02 -0.06 -0.04 2.39 2.36 1i2mB1 GLN 381 HE21 0.06 -0.02 -0.03 -0.04 6.97 6.95 1i2mB1 GLN 381 HE22 0.06 0.03 -0.21 -0.04 7.69 7.52 1i2mB1 ASP 382 H -0.01 0.15 0.10 -0.55 8.40 8.08 1i2mB1 ASP 382 HA -0.39 0.36 0.82 -0.75 4.63 4.67 1i2mB1 ASP 382 HB2 -0.50 -0.00 0.03 -0.04 2.71 2.20 1i2mB1 ASP 382 HB3 -1.14 0.04 -0.02 -0.04 2.70 1.53 1i2mB1 GLU 383 H -0.02 0.04 -0.22 -0.55 8.60 7.84 1i2mB1 GLU 383 HA -0.01 0.03 0.54 -0.75 4.29 4.10 1i2mB1 GLU 383 HB2 0.03 0.01 0.02 -0.04 2.09 2.11 1i2mB1 GLU 383 HB3 0.06 0.12 0.01 -0.04 1.99 2.14 1i2mB1 GLU 383 HG2 0.03 0.01 0.03 -0.04 2.34 2.36 1i2mB1 GLU 383 HG3 0.02 -0.10 0.01 -0.04 2.34 2.22 1i2mB1 ASP 384 H 0.06 0.05 0.18 -0.55 8.40 8.14 1i2mB1 ASP 384 HA -0.04 0.14 0.54 -0.75 4.63 4.51 1i2mB1 ASP 384 HB2 0.23 -0.07 -0.01 -0.04 2.71 2.83 1i2mB1 ASP 384 HB3 -0.14 0.35 -0.07 -0.04 2.70 2.80 1i2mB1 ALA 385 H -0.05 0.64 0.23 -0.55 8.40 8.67 1i2mB1 ALA 385 HA 0.17 0.10 0.91 -0.75 4.34 4.77 1i2mB1 ALA 385 HB3 0.10 0.06 0.10 -0.04 1.41 1.63 1i2mB1 TRP 386 H 0.47 0.17 0.05 -0.55 7.97 8.11 1i2mB1 TRP 386 HA 0.06 0.13 0.63 -0.75 4.62 4.69 1i2mB1 TRP 386 HB2 0.01 0.01 -0.07 -0.04 3.23 3.14 1i2mB1 TRP 386 HB3 0.00 0.07 -0.43 -0.04 3.23 2.83 1i2mB1 TRP 386 HD1 0.04 0.11 -0.20 -0.04 7.22 7.13 1i2mB1 TRP 386 HE1 0.07 0.00 -0.13 -0.04 10.20 10.10 1i2mB1 TRP 386 HE3 -0.00 0.24 0.02 -0.04 7.59 7.81 1i2mB1 TRP 386 HZ2 0.07 -0.01 0.02 -0.04 7.44 7.48 1i2mB1 TRP 386 HZ3 -0.01 0.22 -0.05 -0.04 7.13 7.24 1i2mB1 TRP 386 HH2 -0.02 0.00 -0.02 -0.04 7.19 7.10 1i2mB1 SER 387 H 0.18 0.13 -0.17 -0.55 8.46 8.06 1i2mB1 SER 387 HA -0.04 0.22 0.71 -0.75 4.49 4.63 1i2mB1 SER 387 HB2 0.09 -0.02 -0.02 -0.04 3.95 3.95 1i2mB1 SER 387 HB3 0.02 0.16 0.02 -0.04 3.93 4.09 1i2mB1 PRO 388 HA 0.46 0.18 0.29 -0.51 4.44 4.86 1i2mB1 PRO 388 HB2 0.09 0.09 -0.04 -0.04 2.28 2.39 1i2mB1 PRO 388 HB3 0.33 -0.01 -0.12 -0.04 2.02 2.19 1i2mB1 PRO 388 HG2 -0.42 0.03 -0.12 -0.04 2.03 1.48 1i2mB1 PRO 388 HG3 -0.91 0.03 -0.10 -0.04 2.03 1.02 1i2mB1 PRO 388 HD2 -0.12 0.04 0.14 -0.04 3.68 3.70 1i2mB1 PRO 388 HD3 -0.30 0.30 0.20 -0.04 3.65 3.81 1i2mB1 VAL 389 H 0.32 0.56 0.39 -0.55 8.24 8.96 1i2mB1 VAL 389 HA 0.16 0.11 0.92 -0.75 4.13 4.57 1i2mB1 VAL 389 HB 0.11 -0.01 -0.02 -0.04 2.12 2.17 1i2mB1 VAL 389 HG13 0.09 0.08 0.04 -0.04 0.97 1.13 1i2mB1 VAL 389 HG23 0.04 0.03 -0.04 -0.04 0.95 0.94 1i2mB1 GLU 390 H -0.11 0.11 0.13 -0.55 8.60 8.18 1i2mB1 GLU 390 HA -0.81 0.14 0.63 -0.75 4.29 3.50 1i2mB1 GLU 390 HB2 -0.64 -0.04 0.10 -0.04 2.09 1.48 1i2mB1 GLU 390 HB3 -0.24 -0.04 0.07 -0.04 1.99 1.74 1i2mB1 GLU 390 HG2 -0.31 0.22 -0.03 -0.04 2.34 2.17 1i2mB1 GLU 390 HG3 -0.87 -0.06 0.00 -0.04 2.34 1.37 1i2mB1 MET 391 H -0.18 0.62 0.43 -0.55 8.47 8.80 1i2mB1 MET 391 HA -0.03 0.12 0.58 -0.75 4.52 4.43 1i2mB1 MET 391 HB2 -0.02 -0.05 0.15 -0.04 2.15 2.19 1i2mB1 MET 391 HB3 -0.00 -0.03 -0.02 -0.04 2.03 1.94 1i2mB1 MET 391 HG2 0.04 0.26 0.02 -0.04 2.63 2.92 1i2mB1 MET 391 HG3 0.05 -0.01 -0.06 -0.04 2.56 2.49 1i2mB1 MET 391 HE3 0.03 -0.02 -0.18 -0.04 2.10 1.90 1i2mB1 MET 392 H -0.02 0.37 0.28 -0.55 8.47 8.56 1i2mB1 MET 392 HA -0.03 0.15 0.85 -0.75 4.52 4.74 1i2mB1 MET 392 HB2 -0.02 0.02 0.05 -0.04 2.15 2.16 1i2mB1 MET 392 HB3 -0.02 -0.08 0.04 -0.04 2.03 1.93 1i2mB1 MET 392 HG2 -0.05 0.08 -0.15 -0.04 2.63 2.47 1i2mB1 MET 392 HG3 -0.06 0.13 -0.49 -0.04 2.56 2.10 1i2mB1 MET 392 HE3 -0.02 -0.01 -0.02 -0.04 2.10 2.02 1i2mB1 GLY 393 H -0.01 0.26 0.14 -0.55 8.43 8.27 1i2mB1 GLY 393 HA2 -0.01 0.06 0.36 -0.51 4.01 3.91 1i2mB1 GLY 393 HA3 -0.01 0.14 0.45 -0.51 4.01 4.09 1i2mB1 LYS 394 H -0.01 0.20 0.14 -0.55 8.42 8.19 1i2mB1 LYS 394 HA -0.01 0.07 0.41 -0.75 4.32 4.03 1i2mB1 LYS 394 HB2 -0.01 -0.00 0.15 -0.04 1.87 1.97 1i2mB1 LYS 394 HB3 -0.01 0.02 0.12 -0.04 1.79 1.88 1i2mB1 LYS 394 HG2 -0.01 0.06 -0.20 -0.04 1.46 1.27 1i2mB1 LYS 394 HG3 -0.01 -0.00 0.05 -0.04 1.46 1.46 1i2mB1 LYS 394 HD2 -0.01 -0.02 0.02 -0.04 1.69 1.64 1i2mB1 LYS 394 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.63 1i2mB1 LYS 394 HE2 -0.01 0.03 -0.04 -0.04 2.99 2.93 1i2mB1 LYS 394 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.93 1i2mB1 GLN 395 H -0.01 0.14 -0.22 -0.55 8.47 7.83 1i2mB1 GLN 395 HA -0.01 0.14 0.44 -0.75 4.36 4.18 1i2mB1 GLN 395 HB2 -0.01 0.07 -0.16 -0.04 2.15 2.01 1i2mB1 GLN 395 HB3 -0.01 0.01 -0.08 -0.04 2.02 1.90 1i2mB1 GLN 395 HG2 -0.01 -0.01 0.03 -0.04 2.40 2.36 1i2mB1 GLN 395 HG3 -0.02 -0.13 -0.04 -0.04 2.39 2.17 1i2mB1 GLN 395 HE21 -0.01 0.02 -0.07 -0.04 6.97 6.87 1i2mB1 GLN 395 HE22 -0.01 -0.05 -0.08 -0.04 7.69 7.50 1i2mB1 LEU 396 H -0.01 0.35 -0.54 -0.55 8.37 7.62 1i2mB1 LEU 396 HA -0.01 0.20 0.69 -0.75 4.35 4.48 1i2mB1 LEU 396 HB2 -0.01 -0.04 0.00 -0.04 1.64 1.55 1i2mB1 LEU 396 HB3 -0.01 0.04 0.03 -0.04 1.64 1.66 1i2mB1 LEU 396 HG -0.01 -0.10 -0.32 -0.04 1.64 1.16 1i2mB1 LEU 396 HD13 -0.02 0.00 -0.28 -0.04 0.93 0.59 1i2mB1 LEU 396 HD23 -0.01 0.03 -0.15 -0.04 0.89 0.71 1i2mB1 GLU 397 H -0.01 0.23 -0.14 -0.55 8.60 8.14 1i2mB1 GLU 397 HA -0.00 -0.01 0.50 -0.75 4.29 4.03 1i2mB1 GLU 397 HB2 -0.01 0.11 0.13 -0.04 2.09 2.28 1i2mB1 GLU 397 HB3 -0.00 -0.05 0.04 -0.04 1.99 1.93 1i2mB1 GLU 397 HG2 -0.01 -0.04 0.01 -0.04 2.34 2.26 1i2mB1 GLU 397 HG3 -0.01 0.10 0.10 -0.04 2.34 2.49 1i2mB1 ASN 398 H -0.00 0.10 0.21 -0.55 8.53 8.29 1i2mB1 ASN 398 HA 0.00 -0.01 0.35 -0.75 4.76 4.35 1i2mB1 ASN 398 HB2 -0.00 0.18 -0.21 -0.04 2.88 2.80 1i2mB1 ASN 398 HB3 -0.00 -0.05 0.25 -0.04 2.79 2.95 1i2mB1 ASN 398 HD21 -0.00 -0.03 -0.02 -0.04 7.03 6.94 1i2mB1 ASN 398 HD22 -0.00 0.04 -0.07 -0.04 7.74 7.66 1i2mB1 ARG 399 H 0.00 0.36 -0.20 -0.55 8.46 8.07 1i2mB1 ARG 399 HA 0.00 0.10 0.97 -0.75 4.34 4.66 1i2mB1 ARG 399 HB2 -0.00 0.00 -0.25 -0.04 1.90 1.61 1i2mB1 ARG 399 HB3 -0.00 -0.03 -0.05 -0.04 1.80 1.67 1i2mB1 ARG 399 HG2 -0.00 -0.11 -0.36 -0.04 1.67 1.15 1i2mB1 ARG 399 HG3 -0.00 0.07 -0.57 -0.04 1.67 1.13 1i2mB1 ARG 399 HD2 -0.01 0.24 -0.21 -0.04 3.22 3.20 1i2mB1 ARG 399 HD3 -0.01 -0.08 -0.18 -0.04 3.22 2.91 1i2mB1 VAL 400 H 0.01 0.63 0.39 -0.55 8.24 8.71 1i2mB1 VAL 400 HA 0.01 0.26 1.05 -0.75 4.13 4.71 1i2mB1 VAL 400 HB 0.02 0.04 0.10 -0.04 2.12 2.24 1i2mB1 VAL 400 HG13 0.01 -0.01 -0.09 -0.04 0.97 0.84 1i2mB1 VAL 400 HG23 0.01 0.00 -0.07 -0.04 0.95 0.86 1i2mB1 VAL 401 H 0.02 0.79 0.32 -0.55 8.24 8.83 1i2mB1 VAL 401 HA 0.01 0.07 0.80 -0.75 4.13 4.25 1i2mB1 VAL 401 HB 0.03 -0.01 -0.18 -0.04 2.12 1.92 1i2mB1 VAL 401 HG13 0.00 -0.02 -0.22 -0.04 0.97 0.69 1i2mB1 VAL 401 HG23 0.01 0.01 -0.07 -0.04 0.95 0.85 1i2mB1 LEU 402 H 0.00 0.75 0.49 -0.55 8.37 9.07 1i2mB1 LEU 402 HA 0.02 0.12 0.73 -0.75 4.35 4.47 1i2mB1 LEU 402 HB2 0.01 0.02 0.00 -0.04 1.64 1.63 1i2mB1 LEU 402 HB3 0.02 -0.02 -0.00 -0.04 1.64 1.60 1i2mB1 LEU 402 HG 0.01 -0.01 -0.16 -0.04 1.64 1.43 1i2mB1 LEU 402 HD13 0.01 -0.00 -0.26 -0.04 0.93 0.64 1i2mB1 LEU 402 HD23 0.02 -0.00 -0.11 -0.04 0.89 0.76 1i2mB1 SER 403 H -0.01 0.32 0.30 -0.55 8.46 8.53 1i2mB1 SER 403 HA 0.01 0.11 0.48 -0.75 4.49 4.34 1i2mB1 SER 403 HB2 -0.01 0.02 0.12 -0.04 3.95 4.05 1i2mB1 SER 403 HB3 0.01 0.16 -0.21 -0.04 3.93 3.85 1i2mB1 VAL 404 H -0.04 0.31 0.15 -0.55 8.24 8.11 1i2mB1 VAL 404 HA -0.15 0.28 0.92 -0.75 4.13 4.42 1i2mB1 VAL 404 HB -0.13 0.01 -0.23 -0.04 2.12 1.73 1i2mB1 VAL 404 HG13 -0.06 -0.02 -0.25 -0.04 0.97 0.60 1i2mB1 VAL 404 HG23 -0.64 -0.00 -0.21 -0.04 0.95 0.06 1i2mB1 SER 405 H -0.24 0.65 0.35 -0.55 8.46 8.67 1i2mB1 SER 405 HA -0.15 0.11 0.79 -0.75 4.49 4.49 1i2mB1 SER 405 HB2 -0.10 0.14 0.04 -0.04 3.95 3.99 1i2mB1 SER 405 HB3 -0.15 0.01 0.12 -0.04 3.93 3.88 1i2mB1 SER 406 H -0.15 0.35 0.24 -0.55 8.46 8.35 1i2mB1 SER 406 HA -0.31 0.11 1.09 -0.75 4.49 4.63 1i2mB1 SER 406 HB2 -0.26 -0.00 -0.32 -0.04 3.95 3.33 1i2mB1 SER 406 HB3 0.01 0.02 -0.31 -0.04 3.93 3.60 1i2mB1 GLY 407 H -0.31 0.64 0.26 -0.55 8.43 8.47 1i2mB1 GLY 407 HA2 -0.09 0.27 0.84 -0.51 4.01 4.51 1i2mB1 GLY 407 HA3 -0.07 0.16 0.43 -0.51 4.01 4.01 1i2mB1 GLY 408 H 0.08 0.57 0.41 -0.55 8.43 8.94 1i2mB1 GLY 408 HA2 0.02 -0.04 0.66 -0.51 4.01 4.13 1i2mB1 GLY 408 HA3 0.05 0.05 0.47 -0.51 4.01 4.07 1i2mB1 GLN 409 H 0.17 0.11 0.16 -0.55 8.47 8.36 1i2mB1 GLN 409 HA 0.06 0.18 0.91 -0.75 4.36 4.75 1i2mB1 GLN 409 HB2 0.08 0.01 0.05 -0.04 2.15 2.25 1i2mB1 GLN 409 HB3 0.07 -0.02 0.19 -0.04 2.02 2.22 1i2mB1 GLN 409 HG2 0.03 0.07 -0.09 -0.04 2.40 2.37 1i2mB1 GLN 409 HG3 0.05 -0.09 -0.36 -0.04 2.39 1.95 1i2mB1 GLN 409 HE21 0.03 0.00 -0.02 -0.04 6.97 6.94 1i2mB1 GLN 409 HE22 0.03 0.00 -0.04 -0.04 7.69 7.64 1i2mB1 HIS 410 H 0.22 0.01 0.08 -0.55 8.41 8.18 1i2mB1 HIS 410 HA 0.03 0.28 0.98 -0.75 4.63 5.17 1i2mB1 HIS 410 HB2 0.03 0.17 0.03 -0.04 3.26 3.46 1i2mB1 HIS 410 HB3 0.03 0.08 -0.14 -0.04 3.20 3.13 1i2mB1 HIS 410 HD2 0.03 0.16 -0.28 -0.04 6.97 6.83 1i2mB1 HIS 410 HE1 -0.07 0.20 -0.17 -0.04 7.75 7.66 1i2mB1 THR 411 H 0.02 0.67 0.35 -0.55 8.28 8.77 1i2mB1 THR 411 HA -0.32 0.09 0.93 -0.75 4.39 4.34 1i2mB1 THR 411 HB -0.06 0.01 -0.04 -0.04 4.32 4.20 1i2mB1 THR 411 HG23 -0.48 0.03 -0.19 -0.04 1.22 0.54 1i2mB1 VAL 412 H -0.25 0.85 0.38 -0.55 8.24 8.67 1i2mB1 VAL 412 HA -0.03 0.28 1.13 -0.75 4.13 4.75 1i2mB1 VAL 412 HB -0.11 -0.03 -0.11 -0.04 2.12 1.82 1i2mB1 VAL 412 HG13 0.01 0.01 -0.24 -0.04 0.97 0.71 1i2mB1 VAL 412 HG23 -0.03 -0.02 -0.32 -0.04 0.95 0.55 1i2mB1 LEU 413 H -0.04 0.78 0.35 -0.55 8.37 8.92 1i2mB1 LEU 413 HA -0.08 0.27 1.10 -0.75 4.35 4.88 1i2mB1 LEU 413 HB2 -0.03 -0.08 -0.01 -0.04 1.64 1.48 1i2mB1 LEU 413 HB3 -0.04 0.06 -0.04 -0.04 1.64 1.57 1i2mB1 LEU 413 HG -0.10 -0.07 -0.35 -0.04 1.64 1.08 1i2mB1 LEU 413 HD13 -0.03 -0.01 -0.20 -0.04 0.93 0.65 1i2mB1 LEU 413 HD23 -0.12 0.01 -0.10 -0.04 0.89 0.65 1i2mB1 LEU 414 H -0.03 0.54 0.28 -0.55 8.37 8.61 1i2mB1 LEU 414 HA -0.01 0.26 0.88 -0.75 4.35 4.73 1i2mB1 LEU 414 HB2 -0.01 -0.05 -0.13 -0.04 1.64 1.41 1i2mB1 LEU 414 HB3 -0.01 -0.09 0.10 -0.04 1.64 1.60 1i2mB1 LEU 414 HG 0.00 0.04 -0.23 -0.04 1.64 1.41 1i2mB1 LEU 414 HD13 -0.00 0.04 -0.35 -0.04 0.93 0.59 1i2mB1 LEU 414 HD23 0.01 0.02 -0.33 -0.04 0.89 0.55 1i2mB1 VAL 415 H -0.01 0.66 0.33 -0.55 8.24 8.68 1i2mB1 VAL 415 HA -0.00 0.19 1.20 -0.75 4.13 4.76 1i2mB1 VAL 415 HB -0.00 0.09 0.01 -0.04 2.12 2.17 1i2mB1 VAL 415 HG13 -0.01 -0.03 -0.32 -0.04 0.97 0.57 1i2mB1 VAL 415 HG23 -0.01 0.03 -0.18 -0.04 0.95 0.76 1i2mB1 LYS 416 H 0.00 0.63 0.41 -0.55 8.42 8.91 1i2mB1 LYS 416 HA -0.00 0.06 0.87 -0.75 4.32 4.50 1i2mB1 LYS 416 HB2 0.01 0.06 -0.10 -0.04 1.87 1.79 1i2mB1 LYS 416 HB3 0.01 0.00 0.04 -0.04 1.79 1.81 1i2mB1 LYS 416 HG2 0.00 -0.10 0.10 -0.04 1.46 1.42 1i2mB1 LYS 416 HG3 0.00 0.11 0.12 -0.04 1.46 1.66 1i2mB1 LYS 416 HD2 0.01 0.07 -0.07 -0.04 1.69 1.66 1i2mB1 LYS 416 HD3 0.01 -0.07 0.00 -0.04 1.68 1.58 1i2mB1 LYS 416 HE2 0.01 0.05 -0.03 -0.04 2.99 2.99 1i2mB1 LYS 416 HE3 0.01 -0.01 -0.07 -0.04 2.99 2.89 1i2mB1 ASP 417 H 0.00 0.09 0.10 -0.55 8.40 8.04 1i2mB1 ASP 417 HA 0.00 0.31 0.52 -0.75 4.63 4.70 1i2mB1 ASP 417 HB2 0.00 -0.04 0.13 -0.04 2.71 2.77 1i2mB1 ASP 417 HB3 -0.00 0.06 0.13 -0.04 2.70 2.85