============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 24 1.000 75.550 -46.122 13.316 -99.200 -91.000 PHE 36 1.000 72.062 -48.761 7.387 -99.200 -91.000 TYR 76 0.840 75.434 -50.427 -4.278 -99.200 -91.000 TRP 80 1.040 66.466 -56.285 -2.662 -99.200 -91.000 TRP6 80 1.020 65.753 -55.304 -0.626 -99.200 -91.000 TYR 94 0.840 58.008 -51.806 8.819 -99.200 -91.000 HIS 97 0.900 52.099 -51.229 4.252 -99.200 -91.000 TYR 104 0.840 58.832 -36.397 3.627 -99.200 -91.000 TRP 126 1.040 57.013 -55.944 -3.999 -99.200 -91.000 TRP6 126 1.020 58.036 -53.843 -3.632 -99.200 -91.000 HIS 145 0.900 49.307 -35.578 1.480 -99.200 -91.000 TYR 156 0.840 61.352 -41.253 -8.562 -99.200 -91.000 PHE 204 1.000 55.584 -49.149 -19.872 -99.200 -91.000 PHE 209 1.000 50.596 -42.752 -27.773 -99.200 -91.000 HIS 216 0.900 41.469 -40.067 -31.953 -99.200 -91.000 PHE 217 1.000 40.439 -40.315 -21.679 -99.200 -91.000 TYR 248 0.840 53.777 -44.194 -29.462 -99.200 -91.000 TYR 249 0.840 56.073 -37.583 -38.611 -99.200 -91.000 TYR 251 0.840 49.675 -44.471 -34.463 -99.200 -91.000 TYR 255 0.840 45.405 -36.801 -31.955 -99.200 -91.000 PHE 261 1.000 51.253 -23.976 -36.535 -99.200 -91.000 PHE 282 1.000 55.668 -30.707 -31.532 -99.200 -91.000 TRP 283 1.040 56.849 -26.834 -33.784 -99.200 -91.000 TRP6 283 1.020 55.811 -27.710 -35.714 -99.200 -91.000 HIS 309 0.900 56.091 -46.513 -40.403 -99.200 -91.000 PHE 313 1.000 57.003 -34.287 -47.231 -99.200 -91.000 TYR 314 0.840 52.868 -33.542 -39.447 -99.200 -91.000 TYR 321 0.840 52.260 -20.067 -39.983 -99.200 -91.000 TRP 342 1.040 69.401 -26.905 -24.668 -99.200 -91.000 TRP6 342 1.020 70.810 -26.791 -26.568 -99.200 -91.000 HIS 366 0.900 59.886 -18.896 -45.760 -99.200 -91.000 PHE 370 1.000 66.439 -11.718 -37.149 -99.200 -91.000 HIS 374 0.900 66.591 -7.206 -36.832 -99.200 -91.000 TRP 380 1.040 74.770 -7.022 -27.049 -99.200 -91.000 TRP6 380 1.020 75.169 -9.311 -26.627 -99.200 -91.000 TYR 382 0.840 66.846 -7.256 -31.853 -99.200 -91.000 PHE 390 1.000 74.896 -15.474 -44.594 -99.200 -91.000 TRP 430 1.040 79.789 -21.725 -36.109 -99.200 -91.000 TRP6 430 1.020 77.489 -21.375 -36.525 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1o6pB1 MET 1 HA -0.06 -0.08 0.11 -0.75 4.52 3.75 1o6pB1 MET 1 HB2 -0.04 0.01 0.08 -0.04 2.15 2.16 1o6pB1 MET 1 HB3 -0.07 0.02 0.09 -0.04 2.03 2.03 1o6pB1 MET 1 HG2 -0.03 -0.00 0.02 -0.04 2.63 2.58 1o6pB1 MET 1 HG3 -0.03 0.02 0.02 -0.04 2.56 2.52 1o6pB1 MET 1 HE3 -0.04 0.01 -0.01 -0.04 2.10 2.02 1o6pB1 GLU 2 H -0.04 0.04 0.03 -0.55 8.60 8.07 1o6pB1 GLU 2 HA -0.05 0.26 0.64 -0.75 4.29 4.39 1o6pB1 GLU 2 HB2 -0.01 -0.35 0.26 -0.04 2.09 1.95 1o6pB1 GLU 2 HB3 -0.00 0.11 0.14 -0.04 1.99 2.20 1o6pB1 GLU 2 HG2 -0.02 0.13 -0.00 -0.04 2.34 2.41 1o6pB1 GLU 2 HG3 -0.02 -0.01 0.12 -0.04 2.34 2.38 1o6pB1 LEU 3 H 0.00 0.17 0.14 -0.55 8.37 8.14 1o6pB1 LEU 3 HA -0.00 0.18 0.49 -0.75 4.35 4.26 1o6pB1 LEU 3 HB2 0.07 0.02 0.13 -0.04 1.64 1.82 1o6pB1 LEU 3 HB3 0.05 0.02 -0.00 -0.04 1.64 1.67 1o6pB1 LEU 3 HG 0.24 0.05 -0.02 -0.04 1.64 1.86 1o6pB1 LEU 3 HD13 0.13 0.02 -0.12 -0.04 0.93 0.92 1o6pB1 LEU 3 HD23 0.28 0.01 -0.03 -0.04 0.89 1.10 1o6pB1 ILE 4 H -0.00 0.13 0.05 -0.55 8.25 7.87 1o6pB1 ILE 4 HA -0.00 0.09 0.35 -0.75 4.18 3.85 1o6pB1 ILE 4 HB -0.02 -0.02 0.03 -0.04 1.89 1.84 1o6pB1 ILE 4 HG12 -0.01 -0.09 0.13 -0.04 1.49 1.47 1o6pB1 ILE 4 HG13 -0.01 0.09 0.04 -0.04 1.21 1.29 1o6pB1 ILE 4 HG23 -0.01 0.01 -0.04 -0.04 0.93 0.85 1o6pB1 ILE 4 HD13 -0.01 0.02 0.03 -0.04 0.88 0.88 1o6pB1 THR 5 H -0.04 -0.02 -0.55 -0.55 8.28 7.12 1o6pB1 THR 5 HA -0.04 0.03 0.30 -0.75 4.39 3.94 1o6pB1 THR 5 HB -0.08 0.15 -0.18 -0.04 4.32 4.17 1o6pB1 THR 5 HG23 -0.06 0.02 -0.17 -0.04 1.22 0.97 1o6pB1 ILE 6 H -0.11 0.34 -0.18 -0.55 8.25 7.74 1o6pB1 ILE 6 HA -0.13 0.03 0.40 -0.75 4.18 3.73 1o6pB1 ILE 6 HB -0.13 0.01 0.14 -0.04 1.89 1.87 1o6pB1 ILE 6 HG12 -0.44 0.26 0.04 -0.04 1.49 1.31 1o6pB1 ILE 6 HG13 -1.47 -0.04 -0.02 -0.04 1.21 -0.36 1o6pB1 ILE 6 HG23 0.00 -0.02 -0.09 -0.04 0.93 0.78 1o6pB1 ILE 6 HD13 -0.39 -0.01 -0.03 -0.04 0.88 0.40 1o6pB1 LEU 7 H -0.00 0.64 -0.13 -0.55 8.37 8.34 1o6pB1 LEU 7 HA 0.04 0.07 0.30 -0.75 4.35 4.01 1o6pB1 LEU 7 HB2 0.00 0.06 0.13 -0.04 1.64 1.79 1o6pB1 LEU 7 HB3 0.01 -0.02 -0.03 -0.04 1.64 1.56 1o6pB1 LEU 7 HG 0.07 0.08 -0.07 -0.04 1.64 1.68 1o6pB1 LEU 7 HD13 0.01 -0.02 -0.09 -0.04 0.93 0.79 1o6pB1 LEU 7 HD23 0.09 0.01 -0.16 -0.04 0.89 0.78 1o6pB1 GLU 8 H -0.02 0.58 -0.08 -0.55 8.60 8.54 1o6pB1 GLU 8 HA -0.02 0.03 0.32 -0.75 4.29 3.86 1o6pB1 GLU 8 HB2 -0.02 0.11 0.05 -0.04 2.09 2.18 1o6pB1 GLU 8 HB3 -0.02 -0.06 0.01 -0.04 1.99 1.89 1o6pB1 GLU 8 HG2 -0.02 -0.15 -0.08 -0.04 2.34 2.04 1o6pB1 GLU 8 HG3 -0.02 0.27 0.08 -0.04 2.34 2.63 1o6pB1 LYS 9 H -0.02 0.42 -0.47 -0.55 8.42 7.79 1o6pB1 LYS 9 HA -0.01 -0.06 0.48 -0.75 4.32 3.98 1o6pB1 LYS 9 HB2 -0.03 0.21 0.15 -0.04 1.87 2.17 1o6pB1 LYS 9 HB3 -0.02 -0.01 0.12 -0.04 1.79 1.84 1o6pB1 LYS 9 HG2 -0.02 -0.11 0.03 -0.04 1.46 1.31 1o6pB1 LYS 9 HG3 -0.04 0.21 0.06 -0.04 1.46 1.65 1o6pB1 LYS 9 HD2 -0.06 0.03 -0.01 -0.04 1.69 1.60 1o6pB1 LYS 9 HD3 -0.03 -0.06 0.06 -0.04 1.68 1.61 1o6pB1 LYS 9 HE2 -0.03 -0.05 0.00 -0.04 2.99 2.87 1o6pB1 LYS 9 HE3 -0.04 0.02 -0.04 -0.04 2.99 2.89 1o6pB1 THR 10 H 0.00 0.58 -0.65 -0.55 8.28 7.66 1o6pB1 THR 10 HA 0.02 0.11 0.56 -0.75 4.39 4.32 1o6pB1 THR 10 HB 0.03 -0.05 0.11 -0.04 4.32 4.36 1o6pB1 THR 10 HG23 0.04 -0.00 0.00 -0.04 1.22 1.22 1o6pB1 VAL 11 H -0.00 0.24 -0.36 -0.55 8.24 7.57 1o6pB1 VAL 11 HA 0.00 0.22 0.81 -0.75 4.13 4.41 1o6pB1 VAL 11 HB -0.01 -0.06 0.08 -0.04 2.12 2.09 1o6pB1 VAL 11 HG13 -0.01 -0.01 -0.16 -0.04 0.97 0.75 1o6pB1 VAL 11 HG23 -0.01 0.00 -0.04 -0.04 0.95 0.86 1o6pB1 SER 12 H -0.00 0.08 -0.21 -0.55 8.46 7.78 1o6pB1 SER 12 HA -0.01 0.05 0.42 -0.75 4.49 4.19 1o6pB1 SER 12 HB2 -0.01 -0.00 0.11 -0.04 3.95 4.01 1o6pB1 SER 12 HB3 -0.00 0.22 0.07 -0.04 3.93 4.17 1o6pB1 PRO 13 HA 0.00 0.17 0.42 -0.51 4.44 4.52 1o6pB1 PRO 13 HB2 -0.00 -0.01 0.04 -0.04 2.28 2.28 1o6pB1 PRO 13 HB3 -0.00 0.07 0.12 -0.04 2.02 2.17 1o6pB1 PRO 13 HG2 -0.00 -0.05 0.09 -0.04 2.03 2.02 1o6pB1 PRO 13 HG3 -0.00 0.05 0.09 -0.04 2.03 2.12 1o6pB1 PRO 13 HD2 -0.00 0.02 0.24 -0.04 3.68 3.90 1o6pB1 PRO 13 HD3 -0.00 0.21 0.21 -0.04 3.65 4.03 1o6pB1 ASP 14 H -0.00 0.06 -0.27 -0.55 8.40 7.64 1o6pB1 ASP 14 HA -0.00 0.07 0.41 -0.75 4.63 4.36 1o6pB1 ASP 14 HB2 -0.00 0.09 0.11 -0.04 2.71 2.87 1o6pB1 ASP 14 HB3 -0.00 -0.01 0.16 -0.04 2.70 2.80 1o6pB1 ARG 15 H 0.00 0.22 0.19 -0.55 8.46 8.32 1o6pB1 ARG 15 HA 0.00 0.17 0.32 -0.75 4.34 4.08 1o6pB1 ARG 15 HB2 0.00 -0.03 0.10 -0.04 1.90 1.93 1o6pB1 ARG 15 HB3 0.01 0.01 0.08 -0.04 1.80 1.86 1o6pB1 ARG 15 HG2 0.01 0.08 0.01 -0.04 1.67 1.72 1o6pB1 ARG 15 HG3 0.00 0.02 0.07 -0.04 1.67 1.72 1o6pB1 ARG 15 HD2 0.01 -0.02 0.02 -0.04 3.22 3.19 1o6pB1 ARG 15 HD3 0.01 -0.01 0.03 -0.04 3.22 3.21 1o6pB1 LEU 16 H 0.00 -0.03 -0.56 -0.55 8.37 7.23 1o6pB1 LEU 16 HA 0.00 0.20 0.76 -0.75 4.35 4.57 1o6pB1 LEU 16 HB2 -0.00 -0.08 0.13 -0.04 1.64 1.65 1o6pB1 LEU 16 HB3 0.00 0.06 0.05 -0.04 1.64 1.71 1o6pB1 LEU 16 HG 0.00 -0.06 -0.08 -0.04 1.64 1.46 1o6pB1 LEU 16 HD13 0.00 0.02 -0.00 -0.04 0.93 0.90 1o6pB1 LEU 16 HD23 0.00 0.06 -0.08 -0.04 0.89 0.83 1o6pB1 GLU 17 H -0.00 0.02 0.03 -0.55 8.60 8.10 1o6pB1 GLU 17 HA -0.01 0.01 0.28 -0.75 4.29 3.82 1o6pB1 GLU 17 HB2 -0.01 -0.07 0.17 -0.04 2.09 2.13 1o6pB1 GLU 17 HB3 -0.01 0.11 0.12 -0.04 1.99 2.17 1o6pB1 GLU 17 HG2 -0.01 0.08 0.05 -0.04 2.34 2.41 1o6pB1 GLU 17 HG3 -0.02 -0.02 0.10 -0.04 2.34 2.36 1o6pB1 LEU 18 H 0.00 0.62 -0.22 -0.55 8.37 8.22 1o6pB1 LEU 18 HA 0.01 0.33 0.50 -0.75 4.35 4.44 1o6pB1 LEU 18 HB2 0.00 0.19 -0.11 -0.04 1.64 1.69 1o6pB1 LEU 18 HB3 0.01 -0.13 -0.06 -0.04 1.64 1.42 1o6pB1 LEU 18 HG 0.01 0.03 -0.03 -0.04 1.64 1.61 1o6pB1 LEU 18 HD13 0.01 0.01 -0.16 -0.04 0.93 0.75 1o6pB1 LEU 18 HD23 0.01 -0.02 -0.40 -0.04 0.89 0.44 1o6pB1 GLU 19 H 0.01 0.30 -0.33 -0.55 8.60 8.03 1o6pB1 GLU 19 HA 0.02 0.09 0.59 -0.75 4.29 4.24 1o6pB1 GLU 19 HB2 0.01 0.10 0.16 -0.04 2.09 2.32 1o6pB1 GLU 19 HB3 0.01 -0.07 0.07 -0.04 1.99 1.96 1o6pB1 GLU 19 HG2 0.01 -0.04 0.03 -0.04 2.34 2.30 1o6pB1 GLU 19 HG3 0.01 -0.02 0.04 -0.04 2.34 2.33 1o6pB1 ALA 20 H 0.01 0.57 -0.20 -0.55 8.40 8.24 1o6pB1 ALA 20 HA 0.03 0.02 0.41 -0.75 4.34 4.04 1o6pB1 ALA 20 HB3 0.01 0.01 0.02 -0.04 1.41 1.41 1o6pB1 ALA 21 H 0.01 0.56 -0.04 -0.55 8.40 8.39 1o6pB1 ALA 21 HA 0.03 -0.06 0.33 -0.75 4.34 3.88 1o6pB1 ALA 21 HB3 0.01 0.07 -0.01 -0.04 1.41 1.45 1o6pB1 GLN 22 H 0.04 0.31 -0.56 -0.55 8.47 7.71 1o6pB1 GLN 22 HA 0.07 0.01 0.31 -0.75 4.36 4.00 1o6pB1 GLN 22 HB2 0.04 0.20 0.15 -0.04 2.15 2.49 1o6pB1 GLN 22 HB3 0.03 0.10 0.10 -0.04 2.02 2.21 1o6pB1 GLN 22 HG2 0.03 -0.02 -0.02 -0.04 2.40 2.35 1o6pB1 GLN 22 HG3 0.03 -0.05 -0.15 -0.04 2.39 2.19 1o6pB1 GLN 22 HE21 0.05 0.01 -0.03 -0.04 6.97 6.96 1o6pB1 GLN 22 HE22 0.04 -0.02 -0.03 -0.04 7.69 7.63 1o6pB1 LYS 23 H 0.05 0.56 -0.09 -0.55 8.42 8.38 1o6pB1 LYS 23 HA 0.01 0.00 0.44 -0.75 4.32 4.02 1o6pB1 LYS 23 HB2 0.05 0.11 0.17 -0.04 1.87 2.15 1o6pB1 LYS 23 HB3 0.01 -0.08 0.01 -0.04 1.79 1.69 1o6pB1 LYS 23 HG2 0.02 0.21 0.14 -0.04 1.46 1.79 1o6pB1 LYS 23 HG3 0.02 -0.06 0.04 -0.04 1.46 1.42 1o6pB1 LYS 23 HD2 0.00 -0.04 0.02 -0.04 1.69 1.64 1o6pB1 LYS 23 HD3 0.01 -0.02 0.03 -0.04 1.68 1.66 1o6pB1 LYS 23 HE2 0.01 0.02 0.01 -0.04 2.99 2.99 1o6pB1 LYS 23 HE3 0.01 -0.02 -0.00 -0.04 2.99 2.94 1o6pB1 PHE 24 H 0.17 0.54 -0.15 -0.55 8.34 8.35 1o6pB1 PHE 24 HA -0.06 -0.02 0.37 -0.75 4.62 4.15 1o6pB1 PHE 24 HB2 -0.03 -0.01 0.07 -0.04 3.15 3.13 1o6pB1 PHE 24 HB3 -0.03 0.22 0.17 -0.04 3.06 3.38 1o6pB1 PHE 24 HD2 -0.04 0.03 -0.09 -0.04 7.28 7.14 1o6pB1 PHE 24 HE2 -0.03 -0.02 -0.07 -0.04 7.38 7.21 1o6pB1 PHE 24 HZ -0.04 -0.03 -0.08 -0.04 7.32 7.12 1o6pB1 LEU 25 H 0.20 0.62 -0.09 -0.55 8.37 8.55 1o6pB1 LEU 25 HA -0.29 -0.06 0.27 -0.75 4.35 3.51 1o6pB1 LEU 25 HB2 0.12 0.17 0.05 -0.04 1.64 1.94 1o6pB1 LEU 25 HB3 0.25 -0.03 -0.00 -0.04 1.64 1.82 1o6pB1 LEU 25 HG 0.29 0.15 0.00 -0.04 1.64 2.05 1o6pB1 LEU 25 HD13 0.16 -0.01 -0.12 -0.04 0.93 0.92 1o6pB1 LEU 25 HD23 0.45 -0.04 -0.07 -0.04 0.89 1.18 1o6pB1 GLU 26 H -0.05 0.38 -0.50 -0.55 8.60 7.88 1o6pB1 GLU 26 HA -0.04 0.09 0.58 -0.75 4.29 4.17 1o6pB1 GLU 26 HB2 -0.04 0.10 0.21 -0.04 2.09 2.33 1o6pB1 GLU 26 HB3 -0.03 -0.07 -0.00 -0.04 1.99 1.85 1o6pB1 GLU 26 HG2 0.02 -0.03 0.01 -0.04 2.34 2.29 1o6pB1 GLU 26 HG3 0.02 0.15 0.01 -0.04 2.34 2.48 1o6pB1 ARG 27 H -0.18 0.61 0.11 -0.55 8.46 8.45 1o6pB1 ARG 27 HA -0.13 0.04 0.52 -0.75 4.34 4.02 1o6pB1 ARG 27 HB2 -0.15 -0.07 0.09 -0.04 1.90 1.73 1o6pB1 ARG 27 HB3 -0.11 0.02 0.13 -0.04 1.80 1.79 1o6pB1 ARG 27 HG2 -0.16 -0.06 0.03 -0.04 1.67 1.43 1o6pB1 ARG 27 HG3 -0.28 0.33 0.27 -0.04 1.67 1.95 1o6pB1 ARG 27 HD2 -0.52 0.06 -0.22 -0.04 3.22 2.50 1o6pB1 ARG 27 HD3 -0.26 -0.09 -0.20 -0.04 3.22 2.63 1o6pB1 ALA 28 H -0.53 0.59 -0.24 -0.55 8.40 7.67 1o6pB1 ALA 28 HA -0.48 -0.02 0.29 -0.75 4.34 3.37 1o6pB1 ALA 28 HB3 -1.28 0.05 -0.02 -0.04 1.41 0.12 1o6pB1 ALA 29 H -0.33 0.38 -0.49 -0.55 8.40 7.41 1o6pB1 ALA 29 HA 0.18 0.00 0.43 -0.75 4.34 4.20 1o6pB1 ALA 29 HB3 0.12 0.05 0.09 -0.04 1.41 1.63 1o6pB1 VAL 30 H -0.14 0.19 -0.38 -0.55 8.24 7.36 1o6pB1 VAL 30 HA -0.05 0.16 0.77 -0.75 4.13 4.26 1o6pB1 VAL 30 HB -0.08 -0.03 0.24 -0.04 2.12 2.20 1o6pB1 VAL 30 HG13 -0.04 -0.02 -0.08 -0.04 0.97 0.79 1o6pB1 VAL 30 HG23 -0.05 0.10 0.02 -0.04 0.95 0.98 1o6pB1 GLU 31 H -0.12 0.90 0.22 -0.55 8.60 9.05 1o6pB1 GLU 31 HA -0.06 0.15 0.72 -0.75 4.29 4.35 1o6pB1 GLU 31 HB2 -0.11 0.00 -0.01 -0.04 2.09 1.92 1o6pB1 GLU 31 HB3 -0.07 -0.04 0.14 -0.04 1.99 1.98 1o6pB1 GLU 31 HG2 -0.06 -0.00 -0.00 -0.04 2.34 2.23 1o6pB1 GLU 31 HG3 -0.09 0.03 0.10 -0.04 2.34 2.34 1o6pB1 ASN 32 H -0.10 0.33 -0.34 -0.55 8.53 7.88 1o6pB1 ASN 32 HA -0.03 0.12 0.67 -0.75 4.76 4.76 1o6pB1 ASN 32 HB2 -0.10 0.01 -0.30 -0.04 2.88 2.45 1o6pB1 ASN 32 HB3 -0.12 0.06 0.14 -0.04 2.79 2.83 1o6pB1 ASN 32 HD21 0.00 -0.03 0.01 -0.04 7.03 6.98 1o6pB1 ASN 32 HD22 -0.04 0.02 -0.00 -0.04 7.74 7.68 1o6pB1 LEU 33 H -0.01 0.24 -0.14 -0.55 8.37 7.91 1o6pB1 LEU 33 HA 0.16 0.06 0.31 -0.75 4.35 4.12 1o6pB1 LEU 33 HB2 0.02 0.31 0.15 -0.04 1.64 2.07 1o6pB1 LEU 33 HB3 0.00 -0.03 0.10 -0.04 1.64 1.68 1o6pB1 LEU 33 HG 0.07 -0.13 -0.16 -0.04 1.64 1.39 1o6pB1 LEU 33 HD13 0.11 0.05 0.12 -0.04 0.93 1.17 1o6pB1 LEU 33 HD23 0.02 0.03 -0.02 -0.04 0.89 0.87 1o6pB1 PRO 34 HA -0.02 0.11 0.48 -0.51 4.44 4.50 1o6pB1 PRO 34 HB2 -0.03 0.00 0.04 -0.04 2.28 2.26 1o6pB1 PRO 34 HB3 -0.08 -0.03 0.11 -0.04 2.02 1.99 1o6pB1 PRO 34 HG2 -0.05 0.05 0.08 -0.04 2.03 2.07 1o6pB1 PRO 34 HG3 -0.07 0.10 0.09 -0.04 2.03 2.11 1o6pB1 PRO 34 HD2 -0.01 0.05 -0.08 -0.04 3.68 3.61 1o6pB1 PRO 34 HD3 -0.02 0.16 0.10 -0.04 3.65 3.86 1o6pB1 THR 35 H 0.03 0.20 -0.19 -0.55 8.28 7.77 1o6pB1 THR 35 HA 0.04 0.03 0.44 -0.75 4.39 4.15 1o6pB1 THR 35 HB 0.05 0.12 0.09 -0.04 4.32 4.53 1o6pB1 THR 35 HG23 0.05 -0.01 -0.03 -0.04 1.22 1.18 1o6pB1 PHE 36 H 0.19 0.79 -0.01 -0.55 8.34 8.75 1o6pB1 PHE 36 HA 0.01 -0.07 0.33 -0.75 4.62 4.14 1o6pB1 PHE 36 HB2 -0.04 0.16 -0.06 -0.04 3.15 3.17 1o6pB1 PHE 36 HB3 -0.01 0.12 0.04 -0.04 3.06 3.16 1o6pB1 PHE 36 HD2 -0.00 -0.02 -0.09 -0.04 7.28 7.13 1o6pB1 PHE 36 HE2 0.03 0.01 -0.05 -0.04 7.38 7.32 1o6pB1 PHE 36 HZ 0.03 -0.01 -0.03 -0.04 7.32 7.26 1o6pB1 LEU 37 H 0.09 0.60 -0.22 -0.55 8.37 8.30 1o6pB1 LEU 37 HA -0.19 0.00 0.34 -0.75 4.35 3.75 1o6pB1 LEU 37 HB2 0.09 0.10 0.12 -0.04 1.64 1.90 1o6pB1 LEU 37 HB3 0.14 -0.07 -0.01 -0.04 1.64 1.66 1o6pB1 LEU 37 HG 0.05 0.11 0.08 -0.04 1.64 1.84 1o6pB1 LEU 37 HD13 0.30 0.00 -0.04 -0.04 0.93 1.15 1o6pB1 LEU 37 HD23 -0.08 -0.01 -0.02 -0.04 0.89 0.74 1o6pB1 VAL 38 H 0.05 0.49 -0.12 -0.55 8.24 8.11 1o6pB1 VAL 38 HA 0.10 0.01 0.37 -0.75 4.13 3.85 1o6pB1 VAL 38 HB 0.06 0.06 0.11 -0.04 2.12 2.30 1o6pB1 VAL 38 HG13 0.14 -0.02 -0.06 -0.04 0.97 0.98 1o6pB1 VAL 38 HG23 0.04 0.10 0.08 -0.04 0.95 1.13 1o6pB1 GLU 39 H 0.04 0.59 -0.27 -0.55 8.60 8.40 1o6pB1 GLU 39 HA -0.02 0.02 0.42 -0.75 4.29 3.95 1o6pB1 GLU 39 HB2 0.11 0.20 0.14 -0.04 2.09 2.50 1o6pB1 GLU 39 HB3 0.06 -0.14 -0.01 -0.04 1.99 1.86 1o6pB1 GLU 39 HG2 0.07 0.22 0.03 -0.04 2.34 2.62 1o6pB1 GLU 39 HG3 0.10 -0.06 -0.06 -0.04 2.34 2.28 1o6pB1 LEU 40 H -0.08 0.68 0.00 -0.55 8.37 8.43 1o6pB1 LEU 40 HA -0.06 -0.06 0.44 -0.75 4.35 3.91 1o6pB1 LEU 40 HB2 -0.20 0.14 0.14 -0.04 1.64 1.68 1o6pB1 LEU 40 HB3 -0.16 0.01 -0.02 -0.04 1.64 1.42 1o6pB1 LEU 40 HG -0.37 0.14 0.06 -0.04 1.64 1.43 1o6pB1 LEU 40 HD13 -1.17 -0.01 -0.21 -0.04 0.93 -0.50 1o6pB1 LEU 40 HD23 -0.08 -0.02 0.01 -0.04 0.89 0.75 1o6pB1 SER 41 H -0.04 0.64 -0.18 -0.55 8.46 8.34 1o6pB1 SER 41 HA -0.01 -0.01 0.29 -0.75 4.49 4.00 1o6pB1 SER 41 HB2 0.13 -0.05 0.04 -0.04 3.95 4.02 1o6pB1 SER 41 HB3 0.05 0.08 0.11 -0.04 3.93 4.13 1o6pB1 ARG 42 H -0.17 0.32 -0.54 -0.55 8.46 7.52 1o6pB1 ARG 42 HA -0.73 0.04 0.40 -0.75 4.34 3.30 1o6pB1 ARG 42 HB2 -0.18 0.16 0.23 -0.04 1.90 2.06 1o6pB1 ARG 42 HB3 -0.23 -0.09 -0.04 -0.04 1.80 1.40 1o6pB1 ARG 42 HG2 -1.14 0.00 0.01 -0.04 1.67 0.50 1o6pB1 ARG 42 HG3 -0.21 -0.01 -0.01 -0.04 1.67 1.40 1o6pB1 ARG 42 HD2 -0.27 -0.03 -0.01 -0.04 3.22 2.87 1o6pB1 ARG 42 HD3 -0.64 0.00 -0.01 -0.04 3.22 2.53 1o6pB1 VAL 43 H -0.09 0.48 -0.12 -0.55 8.24 7.96 1o6pB1 VAL 43 HA -0.04 -0.03 0.41 -0.75 4.13 3.71 1o6pB1 VAL 43 HB -0.03 0.14 0.22 -0.04 2.12 2.41 1o6pB1 VAL 43 HG13 -0.01 -0.03 -0.18 -0.04 0.97 0.70 1o6pB1 VAL 43 HG23 -0.01 0.05 0.02 -0.04 0.95 0.97 1o6pB1 LEU 44 H -0.03 0.62 -0.00 -0.55 8.37 8.41 1o6pB1 LEU 44 HA 0.03 -0.11 0.27 -0.75 4.35 3.79 1o6pB1 LEU 44 HB2 -0.00 -0.04 -0.01 -0.04 1.64 1.54 1o6pB1 LEU 44 HB3 0.00 0.12 0.01 -0.04 1.64 1.73 1o6pB1 LEU 44 HG 0.07 0.02 -0.29 -0.04 1.64 1.40 1o6pB1 LEU 44 HD13 0.06 -0.08 -0.13 -0.04 0.93 0.75 1o6pB1 LEU 44 HD23 0.03 -0.01 -0.12 -0.04 0.89 0.75 1o6pB1 ALA 45 H -0.03 0.44 -0.58 -0.55 8.40 7.69 1o6pB1 ALA 45 HA 0.08 -0.04 0.35 -0.75 4.34 3.98 1o6pB1 ALA 45 HB3 0.10 -0.00 0.02 -0.04 1.41 1.49 1o6pB1 ASN 46 H -0.00 0.60 -0.26 -0.55 8.53 8.32 1o6pB1 ASN 46 HA 0.03 0.18 0.78 -0.75 4.76 5.00 1o6pB1 ASN 46 HB2 -0.02 0.09 0.12 -0.04 2.88 3.03 1o6pB1 ASN 46 HB3 -0.01 0.02 0.27 -0.04 2.79 3.03 1o6pB1 ASN 46 HD21 0.00 0.00 -0.04 -0.04 7.03 6.96 1o6pB1 ASN 46 HD22 -0.01 0.01 -0.01 -0.04 7.74 7.69 1o6pB1 PRO 47 HA 0.07 0.09 0.42 -0.51 4.44 4.50 1o6pB1 PRO 47 HB2 0.02 -0.04 0.16 -0.04 2.28 2.38 1o6pB1 PRO 47 HB3 0.03 0.17 0.22 -0.04 2.02 2.41 1o6pB1 PRO 47 HG2 0.02 -0.05 0.02 -0.04 2.03 1.99 1o6pB1 PRO 47 HG3 0.03 0.05 0.12 -0.04 2.03 2.19 1o6pB1 PRO 47 HD2 0.04 -0.01 0.31 -0.04 3.68 3.98 1o6pB1 PRO 47 HD3 0.05 0.46 0.37 -0.04 3.65 4.48 1o6pB1 GLY 48 H 0.02 0.01 -0.80 -0.55 8.43 7.11 1o6pB1 GLY 48 HA2 0.02 0.13 0.62 -0.51 4.01 4.27 1o6pB1 GLY 48 HA3 0.01 -0.05 0.26 -0.51 4.01 3.72 1o6pB1 ASN 49 H 0.03 0.57 -0.10 -0.55 8.53 8.48 1o6pB1 ASN 49 HA 0.00 0.06 0.66 -0.75 4.76 4.73 1o6pB1 ASN 49 HB2 0.01 0.17 0.05 -0.04 2.88 3.08 1o6pB1 ASN 49 HB3 -0.01 -0.22 0.12 -0.04 2.79 2.65 1o6pB1 ASN 49 HD21 -0.01 0.00 -0.03 -0.04 7.03 6.95 1o6pB1 ASN 49 HD22 -0.00 -0.01 -0.08 -0.04 7.74 7.61 1o6pB1 SER 50 H -0.01 0.04 0.17 -0.55 8.46 8.11 1o6pB1 SER 50 HA -0.00 0.20 0.49 -0.75 4.49 4.43 1o6pB1 SER 50 HB2 -0.03 0.01 0.15 -0.04 3.95 4.04 1o6pB1 SER 50 HB3 -0.02 0.14 0.15 -0.04 3.93 4.17 1o6pB1 GLN 51 H -0.04 0.22 0.19 -0.55 8.47 8.30 1o6pB1 GLN 51 HA -0.33 0.12 0.39 -0.75 4.36 3.78 1o6pB1 GLN 51 HB2 -0.37 0.02 0.10 -0.04 2.15 1.87 1o6pB1 GLN 51 HB3 -0.02 0.05 0.16 -0.04 2.02 2.16 1o6pB1 GLN 51 HG2 -0.04 0.05 -0.01 -0.04 2.40 2.37 1o6pB1 GLN 51 HG3 -0.09 -0.10 -0.08 -0.04 2.39 2.07 1o6pB1 GLN 51 HE21 -0.10 0.07 -0.16 -0.04 6.97 6.73 1o6pB1 GLN 51 HE22 -0.10 -0.06 -0.37 -0.04 7.69 7.12 1o6pB1 VAL 52 H -0.08 0.02 -0.24 -0.55 8.24 7.40 1o6pB1 VAL 52 HA -0.09 0.15 0.29 -0.75 4.13 3.72 1o6pB1 VAL 52 HB -0.04 -0.07 -0.00 -0.04 2.12 1.96 1o6pB1 VAL 52 HG13 -0.03 0.04 -0.08 -0.04 0.97 0.85 1o6pB1 VAL 52 HG23 -0.04 0.00 0.03 -0.04 0.95 0.90 1o6pB1 ALA 53 H -0.06 0.00 -0.32 -0.55 8.40 7.47 1o6pB1 ALA 53 HA -0.03 0.09 0.36 -0.75 4.34 4.01 1o6pB1 ALA 53 HB3 -0.03 0.02 0.07 -0.04 1.41 1.43 1o6pB1 ARG 54 H -0.07 0.60 -0.09 -0.55 8.46 8.35 1o6pB1 ARG 54 HA -0.02 0.01 0.25 -0.75 4.34 3.83 1o6pB1 ARG 54 HB2 -0.21 -0.05 0.08 -0.04 1.90 1.68 1o6pB1 ARG 54 HB3 0.09 0.01 -0.03 -0.04 1.80 1.83 1o6pB1 ARG 54 HG2 0.03 0.08 -0.11 -0.04 1.67 1.63 1o6pB1 ARG 54 HG3 -0.01 0.13 -0.17 -0.04 1.67 1.58 1o6pB1 ARG 54 HD2 0.11 0.13 -0.13 -0.04 3.22 3.28 1o6pB1 ARG 54 HD3 0.30 -0.17 -0.09 -0.04 3.22 3.22 1o6pB1 VAL 55 H -0.27 0.54 -0.17 -0.55 8.24 7.79 1o6pB1 VAL 55 HA -0.07 -0.04 0.33 -0.75 4.13 3.59 1o6pB1 VAL 55 HB -0.15 0.11 0.03 -0.04 2.12 2.06 1o6pB1 VAL 55 HG13 -0.05 -0.01 -0.11 -0.04 0.97 0.76 1o6pB1 VAL 55 HG23 -0.46 0.02 0.03 -0.04 0.95 0.50 1o6pB1 ALA 56 H -0.07 0.34 -0.49 -0.55 8.40 7.64 1o6pB1 ALA 56 HA -0.02 0.03 0.41 -0.75 4.34 4.01 1o6pB1 ALA 56 HB3 -0.01 0.04 0.08 -0.04 1.41 1.47 1o6pB1 ALA 57 H -0.03 0.79 0.03 -0.55 8.40 8.65 1o6pB1 ALA 57 HA -0.04 -0.03 0.38 -0.75 4.34 3.90 1o6pB1 ALA 57 HB3 -0.03 0.03 0.11 -0.04 1.41 1.49 1o6pB1 GLY 58 H -0.02 0.72 -0.13 -0.55 8.43 8.46 1o6pB1 GLY 58 HA2 -0.03 -0.03 0.28 -0.51 4.01 3.71 1o6pB1 GLY 58 HA3 -0.01 0.02 0.23 -0.51 4.01 3.74 1o6pB1 LEU 59 H -0.02 0.59 -0.21 -0.55 8.37 8.18 1o6pB1 LEU 59 HA -0.03 -0.01 0.37 -0.75 4.35 3.93 1o6pB1 LEU 59 HB2 -0.01 0.05 0.12 -0.04 1.64 1.75 1o6pB1 LEU 59 HB3 -0.01 0.09 0.14 -0.04 1.64 1.83 1o6pB1 LEU 59 HG 0.01 0.00 -0.15 -0.04 1.64 1.46 1o6pB1 LEU 59 HD13 -0.01 -0.02 0.03 -0.04 0.93 0.89 1o6pB1 LEU 59 HD23 0.00 -0.01 -0.04 -0.04 0.89 0.81 1o6pB1 GLN 60 H -0.03 0.52 -0.23 -0.55 8.47 8.18 1o6pB1 GLN 60 HA 0.00 0.02 0.34 -0.75 4.36 3.97 1o6pB1 GLN 60 HB2 -0.11 0.15 0.15 -0.04 2.15 2.30 1o6pB1 GLN 60 HB3 -0.19 -0.05 -0.08 -0.04 2.02 1.66 1o6pB1 GLN 60 HG2 0.04 0.13 0.02 -0.04 2.40 2.55 1o6pB1 GLN 60 HG3 0.12 -0.10 -0.04 -0.04 2.39 2.33 1o6pB1 GLN 60 HE21 0.10 0.00 -0.06 -0.04 6.97 6.96 1o6pB1 GLN 60 HE22 0.07 0.02 -0.06 -0.04 7.69 7.68 1o6pB1 ILE 61 H -0.10 0.48 -0.14 -0.55 8.25 7.94 1o6pB1 ILE 61 HA -0.14 0.02 0.40 -0.75 4.18 3.71 1o6pB1 ILE 61 HB -0.08 0.11 0.14 -0.04 1.89 2.02 1o6pB1 ILE 61 HG12 -0.14 -0.04 -0.01 -0.04 1.49 1.26 1o6pB1 ILE 61 HG13 -0.13 0.24 -0.01 -0.04 1.21 1.28 1o6pB1 ILE 61 HG23 -0.11 -0.02 -0.16 -0.04 0.93 0.61 1o6pB1 ILE 61 HD13 -0.05 -0.05 -0.25 -0.04 0.88 0.49 1o6pB1 LYS 62 H -0.07 0.62 -0.07 -0.55 8.42 8.35 1o6pB1 LYS 62 HA -0.09 0.00 0.29 -0.75 4.32 3.77 1o6pB1 LYS 62 HB2 -0.09 -0.08 -0.11 -0.04 1.87 1.54 1o6pB1 LYS 62 HB3 -0.05 0.13 0.09 -0.04 1.79 1.91 1o6pB1 LYS 62 HG2 -0.03 0.06 -0.48 -0.04 1.46 0.98 1o6pB1 LYS 62 HG3 -0.07 -0.01 -0.10 -0.04 1.46 1.24 1o6pB1 LYS 62 HD2 -0.12 -0.07 -0.11 -0.04 1.69 1.35 1o6pB1 LYS 62 HD3 -0.05 -0.00 -0.08 -0.04 1.68 1.50 1o6pB1 LYS 62 HE2 -0.03 0.00 -0.12 -0.04 2.99 2.80 1o6pB1 LYS 62 HE3 -0.07 0.02 -0.11 -0.04 2.99 2.78 1o6pB1 ASN 63 H -0.02 0.41 -0.45 -0.55 8.53 7.92 1o6pB1 ASN 63 HA 0.07 0.08 0.50 -0.75 4.76 4.66 1o6pB1 ASN 63 HB2 0.03 0.10 0.10 -0.04 2.88 3.07 1o6pB1 ASN 63 HB3 0.08 -0.09 0.06 -0.04 2.79 2.81 1o6pB1 ASN 63 HD21 0.02 -0.08 -0.03 -0.04 7.03 6.90 1o6pB1 ASN 63 HD22 0.04 0.03 0.02 -0.04 7.74 7.79 1o6pB1 SER 64 H -0.02 0.52 -0.35 -0.55 8.46 8.06 1o6pB1 SER 64 HA -0.23 0.10 0.74 -0.75 4.49 4.34 1o6pB1 SER 64 HB2 -0.04 0.06 0.10 -0.04 3.95 4.04 1o6pB1 SER 64 HB3 -0.06 -0.07 0.15 -0.04 3.93 3.91 1o6pB1 LEU 65 H 0.06 0.29 -0.41 -0.55 8.37 7.77 1o6pB1 LEU 65 HA 0.07 0.20 0.88 -0.75 4.35 4.75 1o6pB1 LEU 65 HB2 -0.11 0.05 -0.04 -0.04 1.64 1.49 1o6pB1 LEU 65 HB3 -0.18 0.04 -0.08 -0.04 1.64 1.39 1o6pB1 LEU 65 HG -0.19 0.09 -0.32 -0.04 1.64 1.18 1o6pB1 LEU 65 HD13 -0.50 -0.05 -0.22 -0.04 0.93 0.11 1o6pB1 LEU 65 HD23 -0.48 0.04 -0.10 -0.04 0.89 0.32 1o6pB1 THR 66 H 0.21 0.27 -0.02 -0.55 8.28 8.19 1o6pB1 THR 66 HA 0.00 0.06 0.47 -0.75 4.39 4.17 1o6pB1 THR 66 HB -0.01 0.19 -0.19 -0.04 4.32 4.26 1o6pB1 THR 66 HG23 -0.02 0.04 -0.17 -0.04 1.22 1.04 1o6pB1 SER 67 H -0.09 0.35 0.17 -0.55 8.46 8.34 1o6pB1 SER 67 HA -0.06 0.17 0.62 -0.75 4.49 4.47 1o6pB1 SER 67 HB2 -0.33 0.20 -0.14 -0.04 3.95 3.64 1o6pB1 SER 67 HB3 -0.28 -0.06 -0.10 -0.04 3.93 3.45 1o6pB1 LYS 68 H -0.04 0.16 0.13 -0.55 8.42 8.11 1o6pB1 LYS 68 HA -0.03 0.20 0.53 -0.75 4.32 4.26 1o6pB1 LYS 68 HB2 -0.02 -0.04 0.08 -0.04 1.87 1.85 1o6pB1 LYS 68 HB3 -0.02 0.03 0.08 -0.04 1.79 1.84 1o6pB1 LYS 68 HG2 -0.01 0.07 -0.01 -0.04 1.46 1.47 1o6pB1 LYS 68 HG3 -0.01 -0.03 -0.02 -0.04 1.46 1.36 1o6pB1 LYS 68 HD2 -0.01 -0.02 0.01 -0.04 1.69 1.63 1o6pB1 LYS 68 HD3 -0.01 0.01 0.00 -0.04 1.68 1.64 1o6pB1 LYS 68 HE2 0.00 0.03 -0.03 -0.04 2.99 2.95 1o6pB1 LYS 68 HE3 -0.00 0.01 -0.03 -0.04 2.99 2.93 1o6pB1 ASP 69 H -0.07 -0.00 -0.19 -0.55 8.40 7.59 1o6pB1 ASP 69 HA -0.04 0.24 0.68 -0.75 4.63 4.76 1o6pB1 ASP 69 HB2 -0.04 0.09 0.08 -0.04 2.71 2.80 1o6pB1 ASP 69 HB3 -0.08 -0.04 0.16 -0.04 2.70 2.70 1o6pB1 PRO 70 HA -0.04 0.13 0.31 -0.51 4.44 4.34 1o6pB1 PRO 70 HB2 -0.02 -0.04 0.07 -0.04 2.28 2.25 1o6pB1 PRO 70 HB3 -0.02 0.08 0.08 -0.04 2.02 2.13 1o6pB1 PRO 70 HG2 -0.02 0.04 0.11 -0.04 2.03 2.13 1o6pB1 PRO 70 HG3 -0.02 0.13 0.12 -0.04 2.03 2.22 1o6pB1 PRO 70 HD2 -0.03 0.01 0.22 -0.04 3.68 3.84 1o6pB1 PRO 70 HD3 -0.03 0.45 0.44 -0.04 3.65 4.47 1o6pB1 ASP 71 H -0.04 0.07 -0.33 -0.55 8.40 7.56 1o6pB1 ASP 71 HA -0.02 0.11 0.41 -0.75 4.63 4.37 1o6pB1 ASP 71 HB2 -0.03 -0.07 0.07 -0.04 2.71 2.64 1o6pB1 ASP 71 HB3 -0.02 0.05 -0.00 -0.04 2.70 2.68 1o6pB1 ILE 72 H -0.09 0.05 -0.08 -0.55 8.25 7.58 1o6pB1 ILE 72 HA -0.12 0.04 0.35 -0.75 4.18 3.70 1o6pB1 ILE 72 HB -0.24 -0.02 0.10 -0.04 1.89 1.69 1o6pB1 ILE 72 HG12 -0.08 -0.09 0.09 -0.04 1.49 1.37 1o6pB1 ILE 72 HG13 -0.09 0.01 0.04 -0.04 1.21 1.13 1o6pB1 ILE 72 HG23 -0.67 0.02 -0.17 -0.04 0.93 0.07 1o6pB1 ILE 72 HD13 -0.02 0.01 -0.01 -0.04 0.88 0.82 1o6pB1 LYS 73 H -0.17 0.62 -0.22 -0.55 8.42 8.10 1o6pB1 LYS 73 HA -0.23 -0.03 0.23 -0.75 4.32 3.54 1o6pB1 LYS 73 HB2 -0.10 0.07 -0.02 -0.04 1.87 1.78 1o6pB1 LYS 73 HB3 -0.06 0.09 0.01 -0.04 1.79 1.79 1o6pB1 LYS 73 HG2 -0.02 0.03 -0.17 -0.04 1.46 1.27 1o6pB1 LYS 73 HG3 -0.04 -0.07 0.11 -0.04 1.46 1.42 1o6pB1 LYS 73 HD2 -0.03 0.11 0.02 -0.04 1.69 1.75 1o6pB1 LYS 73 HD3 -0.02 -0.04 -0.02 -0.04 1.68 1.56 1o6pB1 LYS 73 HE2 -0.00 0.02 -0.01 -0.04 2.99 2.96 1o6pB1 LYS 73 HE3 -0.01 -0.01 0.02 -0.04 2.99 2.95 1o6pB1 ALA 74 H -0.04 0.57 -0.19 -0.55 8.40 8.19 1o6pB1 ALA 74 HA 0.02 0.03 0.42 -0.75 4.34 4.05 1o6pB1 ALA 74 HB3 0.01 0.02 0.15 -0.04 1.41 1.55 1o6pB1 GLN 75 H 0.01 0.52 -0.09 -0.55 8.47 8.36 1o6pB1 GLN 75 HA 0.09 -0.05 0.38 -0.75 4.36 4.02 1o6pB1 GLN 75 HB2 0.05 -0.02 0.14 -0.04 2.15 2.28 1o6pB1 GLN 75 HB3 0.11 0.21 0.18 -0.04 2.02 2.48 1o6pB1 GLN 75 HG2 0.18 0.00 -0.11 -0.04 2.40 2.43 1o6pB1 GLN 75 HG3 0.09 -0.05 0.05 -0.04 2.39 2.44 1o6pB1 GLN 75 HE21 0.06 -0.03 -0.01 -0.04 6.97 6.95 1o6pB1 GLN 75 HE22 0.06 -0.01 -0.00 -0.04 7.69 7.69 1o6pB1 TYR 76 H 0.16 0.47 -0.24 -0.55 8.29 8.14 1o6pB1 TYR 76 HA 0.07 -0.00 0.43 -0.75 4.56 4.30 1o6pB1 TYR 76 HB2 0.03 0.07 -0.14 -0.04 3.06 2.98 1o6pB1 TYR 76 HB3 0.04 0.11 -0.31 -0.04 2.98 2.78 1o6pB1 TYR 76 HD2 0.02 -0.13 -0.33 -0.04 7.15 6.67 1o6pB1 TYR 76 HE2 0.02 0.11 -0.00 -0.04 6.85 6.94 1o6pB1 GLN 77 H 0.15 0.65 -0.03 -0.55 8.47 8.69 1o6pB1 GLN 77 HA 0.17 0.03 0.43 -0.75 4.36 4.23 1o6pB1 GLN 77 HB2 0.08 0.06 0.18 -0.04 2.15 2.43 1o6pB1 GLN 77 HB3 0.10 -0.06 0.10 -0.04 2.02 2.11 1o6pB1 GLN 77 HG2 0.04 0.06 0.07 -0.04 2.40 2.52 1o6pB1 GLN 77 HG3 0.06 0.32 0.14 -0.04 2.39 2.87 1o6pB1 GLN 77 HE21 0.02 -0.00 -0.09 -0.04 6.97 6.85 1o6pB1 GLN 77 HE22 0.01 0.02 -0.19 -0.04 7.69 7.49 1o6pB1 GLN 78 H 0.12 0.51 -0.23 -0.55 8.47 8.33 1o6pB1 GLN 78 HA 0.09 0.03 0.50 -0.75 4.36 4.23 1o6pB1 GLN 78 HB2 0.08 0.13 0.18 -0.04 2.15 2.51 1o6pB1 GLN 78 HB3 0.06 -0.07 -0.00 -0.04 2.02 1.96 1o6pB1 GLN 78 HG2 0.05 -0.05 0.03 -0.04 2.40 2.39 1o6pB1 GLN 78 HG3 0.06 0.08 0.04 -0.04 2.39 2.54 1o6pB1 GLN 78 HE21 0.03 -0.07 -0.08 -0.04 6.97 6.80 1o6pB1 GLN 78 HE22 0.04 0.06 -0.09 -0.04 7.69 7.66 1o6pB1 ARG 79 H 0.12 0.62 0.03 -0.55 8.46 8.68 1o6pB1 ARG 79 HA 0.04 -0.07 0.31 -0.75 4.34 3.86 1o6pB1 ARG 79 HB2 0.06 -0.02 0.16 -0.04 1.90 2.07 1o6pB1 ARG 79 HB3 0.10 0.20 0.21 -0.04 1.80 2.26 1o6pB1 ARG 79 HG2 0.04 0.00 -0.21 -0.04 1.67 1.45 1o6pB1 ARG 79 HG3 0.01 -0.09 0.06 -0.04 1.67 1.61 1o6pB1 ARG 79 HD2 -0.03 -0.02 0.03 -0.04 3.22 3.16 1o6pB1 ARG 79 HD3 -0.02 -0.05 0.03 -0.04 3.22 3.14 1o6pB1 TRP 80 H 0.28 0.51 -0.50 -0.55 7.97 7.72 1o6pB1 TRP 80 HA -0.03 -0.04 0.48 -0.75 4.62 4.27 1o6pB1 TRP 80 HB2 -0.01 0.04 0.08 -0.04 3.23 3.30 1o6pB1 TRP 80 HB3 0.01 0.19 0.17 -0.04 3.23 3.56 1o6pB1 TRP 80 HD1 -0.01 0.09 -0.15 -0.04 7.22 7.12 1o6pB1 TRP 80 HE1 -0.09 -0.05 -0.09 -0.04 10.20 9.93 1o6pB1 TRP 80 HE3 -0.05 0.08 -0.03 -0.04 7.59 7.56 1o6pB1 TRP 80 HZ2 -0.25 -0.03 -0.04 -0.04 7.44 7.08 1o6pB1 TRP 80 HZ3 -0.07 -0.04 -0.06 -0.04 7.13 6.92 1o6pB1 TRP 80 HH2 -0.14 -0.10 -0.03 -0.04 7.19 6.88 1o6pB1 LEU 81 H 0.18 0.53 0.05 -0.55 8.37 8.58 1o6pB1 LEU 81 HA -0.12 -0.03 0.41 -0.75 4.35 3.86 1o6pB1 LEU 81 HB2 0.06 0.06 0.23 -0.04 1.64 1.95 1o6pB1 LEU 81 HB3 0.03 -0.10 0.08 -0.04 1.64 1.61 1o6pB1 LEU 81 HG 0.30 0.15 0.11 -0.04 1.64 2.17 1o6pB1 LEU 81 HD13 0.11 0.00 -0.02 -0.04 0.93 0.98 1o6pB1 LEU 81 HD23 0.17 -0.02 -0.07 -0.04 0.89 0.93 1o6pB1 ALA 82 H -0.04 0.54 -0.31 -0.55 8.40 8.04 1o6pB1 ALA 82 HA -0.07 0.01 0.41 -0.75 4.34 3.94 1o6pB1 ALA 82 HB3 -0.03 -0.01 0.02 -0.04 1.41 1.35 1o6pB1 ILE 83 H -0.28 0.47 -0.59 -0.55 8.25 7.30 1o6pB1 ILE 83 HA -0.17 -0.03 0.60 -0.75 4.18 3.82 1o6pB1 ILE 83 HB -0.70 0.29 0.15 -0.04 1.89 1.59 1o6pB1 ILE 83 HG12 -0.15 -0.12 0.04 -0.04 1.49 1.22 1o6pB1 ILE 83 HG13 -0.19 0.48 0.20 -0.04 1.21 1.66 1o6pB1 ILE 83 HG23 -0.33 -0.04 -0.01 -0.04 0.93 0.51 1o6pB1 ILE 83 HD13 -0.17 -0.05 -0.03 -0.04 0.88 0.59 1o6pB1 ASP 84 H -0.16 0.05 0.18 -0.55 8.40 7.93 1o6pB1 ASP 84 HA -0.12 0.10 0.44 -0.75 4.63 4.29 1o6pB1 ASP 84 HB2 -0.09 0.12 0.19 -0.04 2.71 2.89 1o6pB1 ASP 84 HB3 -0.12 -0.06 0.20 -0.04 2.70 2.68 1o6pB1 ALA 85 H -0.12 0.18 0.24 -0.55 8.40 8.15 1o6pB1 ALA 85 HA -0.19 0.21 0.46 -0.75 4.34 4.07 1o6pB1 ALA 85 HB3 -0.08 0.03 0.14 -0.04 1.41 1.46 1o6pB1 ASN 86 H -0.09 0.05 -0.23 -0.55 8.53 7.72 1o6pB1 ASN 86 HA -0.07 0.15 0.52 -0.75 4.76 4.60 1o6pB1 ASN 86 HB2 -0.06 -0.03 0.04 -0.04 2.88 2.79 1o6pB1 ASN 86 HB3 -0.05 0.04 -0.01 -0.04 2.79 2.73 1o6pB1 ASN 86 HD21 -0.04 0.05 0.00 -0.04 7.03 7.01 1o6pB1 ASN 86 HD22 -0.05 -0.03 0.03 -0.04 7.74 7.66 1o6pB1 ALA 87 H -0.13 0.15 -0.25 -0.55 8.40 7.63 1o6pB1 ALA 87 HA -0.06 0.07 0.46 -0.75 4.34 4.07 1o6pB1 ALA 87 HB3 -0.13 0.05 0.09 -0.04 1.41 1.38 1o6pB1 ARG 88 H -0.29 0.60 -0.10 -0.55 8.46 8.12 1o6pB1 ARG 88 HA -0.24 -0.00 0.31 -0.75 4.34 3.65 1o6pB1 ARG 88 HB2 -0.32 0.09 0.10 -0.04 1.90 1.74 1o6pB1 ARG 88 HB3 -0.21 -0.03 -0.02 -0.04 1.80 1.50 1o6pB1 ARG 88 HG2 -2.33 -0.07 -0.00 -0.04 1.67 -0.77 1o6pB1 ARG 88 HG3 -0.78 0.04 -0.08 -0.04 1.67 0.80 1o6pB1 ARG 88 HD2 -1.09 -0.11 -0.09 -0.04 3.22 1.89 1o6pB1 ARG 88 HD3 -1.03 0.47 0.05 -0.04 3.22 2.67 1o6pB1 ARG 89 H -0.13 0.51 -0.28 -0.55 8.46 8.00 1o6pB1 ARG 89 HA -0.16 0.01 0.33 -0.75 4.34 3.76 1o6pB1 ARG 89 HB2 -0.09 0.21 0.19 -0.04 1.90 2.17 1o6pB1 ARG 89 HB3 -0.07 0.05 0.06 -0.04 1.80 1.80 1o6pB1 ARG 89 HG2 -0.04 -0.04 -0.00 -0.04 1.67 1.54 1o6pB1 ARG 89 HG3 -0.07 -0.02 0.08 -0.04 1.67 1.62 1o6pB1 ARG 89 HD2 -0.03 -0.03 -0.01 -0.04 3.22 3.11 1o6pB1 ARG 89 HD3 -0.01 -0.03 -0.00 -0.04 3.22 3.14 1o6pB1 GLU 90 H -0.06 0.38 -0.63 -0.55 8.60 7.75 1o6pB1 GLU 90 HA -0.10 0.03 0.54 -0.75 4.29 4.01 1o6pB1 GLU 90 HB2 -0.02 0.08 0.14 -0.04 2.09 2.24 1o6pB1 GLU 90 HB3 0.03 0.12 0.16 -0.04 1.99 2.26 1o6pB1 GLU 90 HG2 0.12 -0.03 -0.08 -0.04 2.34 2.31 1o6pB1 GLU 90 HG3 -0.08 -0.03 0.05 -0.04 2.34 2.24 1o6pB1 VAL 91 H 0.04 0.50 0.04 -0.55 8.24 8.28 1o6pB1 VAL 91 HA 0.18 0.02 0.41 -0.75 4.13 3.98 1o6pB1 VAL 91 HB 0.35 0.08 0.10 -0.04 2.12 2.61 1o6pB1 VAL 91 HG13 0.16 -0.00 -0.17 -0.04 0.97 0.91 1o6pB1 VAL 91 HG23 0.15 0.05 -0.15 -0.04 0.95 0.95 1o6pB1 LYS 92 H -0.05 0.74 -0.10 -0.55 8.42 8.45 1o6pB1 LYS 92 HA -0.24 -0.02 0.33 -0.75 4.32 3.64 1o6pB1 LYS 92 HB2 -0.40 0.12 0.07 -0.04 1.87 1.63 1o6pB1 LYS 92 HB3 -0.93 -0.07 -0.06 -0.04 1.79 0.69 1o6pB1 LYS 92 HG2 -1.12 -0.07 -0.04 -0.04 1.46 0.20 1o6pB1 LYS 92 HG3 -0.22 0.14 -0.00 -0.04 1.46 1.33 1o6pB1 LYS 92 HD2 -2.95 -0.08 -0.06 -0.04 1.69 -1.44 1o6pB1 LYS 92 HD3 -0.76 0.01 -0.10 -0.04 1.68 0.78 1o6pB1 LYS 92 HE2 -0.27 -0.01 -0.40 -0.04 2.99 2.26 1o6pB1 LYS 92 HE3 -0.53 -0.03 -0.06 -0.04 2.99 2.33 1o6pB1 ASN 93 H -0.08 0.45 -0.30 -0.55 8.53 8.05 1o6pB1 ASN 93 HA 0.00 -0.02 0.36 -0.75 4.76 4.35 1o6pB1 ASN 93 HB2 -0.03 0.08 0.17 -0.04 2.88 3.06 1o6pB1 ASN 93 HB3 -0.18 0.11 0.22 -0.04 2.79 2.90 1o6pB1 ASN 93 HD21 0.07 -0.03 -0.02 -0.04 7.03 7.00 1o6pB1 ASN 93 HD22 0.07 0.00 0.01 -0.04 7.74 7.78 1o6pB1 TYR 94 H -0.04 0.66 -0.13 -0.55 8.29 8.23 1o6pB1 TYR 94 HA 0.12 -0.02 0.30 -0.75 4.56 4.21 1o6pB1 TYR 94 HB2 0.03 0.06 0.10 -0.04 3.06 3.21 1o6pB1 TYR 94 HB3 0.04 0.09 -0.21 -0.04 2.98 2.86 1o6pB1 TYR 94 HD2 0.07 0.01 -0.06 -0.04 7.15 7.13 1o6pB1 TYR 94 HE2 0.04 -0.03 -0.04 -0.04 6.85 6.78 1o6pB1 VAL 95 H 0.11 0.78 -0.08 -0.55 8.24 8.50 1o6pB1 VAL 95 HA 0.08 -0.05 0.35 -0.75 4.13 3.75 1o6pB1 VAL 95 HB 0.09 0.14 0.10 -0.04 2.12 2.41 1o6pB1 VAL 95 HG13 0.10 -0.04 -0.14 -0.04 0.97 0.84 1o6pB1 VAL 95 HG23 0.02 0.00 -0.02 -0.04 0.95 0.92 1o6pB1 LEU 96 H -0.05 0.54 -0.51 -0.55 8.37 7.80 1o6pB1 LEU 96 HA -0.00 -0.01 0.43 -0.75 4.35 4.01 1o6pB1 LEU 96 HB2 0.03 0.23 0.12 -0.04 1.64 1.97 1o6pB1 LEU 96 HB3 -0.47 0.06 0.03 -0.04 1.64 1.22 1o6pB1 LEU 96 HG -0.03 -0.02 -0.04 -0.04 1.64 1.52 1o6pB1 LEU 96 HD13 0.00 -0.03 -0.04 -0.04 0.93 0.83 1o6pB1 LEU 96 HD23 0.19 -0.01 -0.07 -0.04 0.89 0.96 1o6pB1 HIS 97 H -0.27 0.45 -0.01 -0.55 8.41 8.03 1o6pB1 HIS 97 HA 0.06 0.09 0.44 -0.75 4.63 4.47 1o6pB1 HIS 97 HB2 0.12 0.07 0.08 -0.04 3.26 3.49 1o6pB1 HIS 97 HB3 0.07 -0.03 0.13 -0.04 3.20 3.32 1o6pB1 HIS 97 HD2 -0.03 -0.05 -0.17 -0.04 6.97 6.67 1o6pB1 HIS 97 HE1 0.04 -0.05 -0.05 -0.04 7.75 7.65 1o6pB1 THR 98 H 0.06 0.17 -0.67 -0.55 8.28 7.28 1o6pB1 THR 98 HA 0.08 0.19 0.45 -0.75 4.39 4.36 1o6pB1 THR 98 HB 0.06 0.15 0.06 -0.04 4.32 4.55 1o6pB1 THR 98 HG23 0.06 -0.05 -0.15 -0.04 1.22 1.05 1o6pB1 LEU 99 H 0.04 0.27 -0.17 -0.55 8.37 7.96 1o6pB1 LEU 99 HA 0.02 -0.22 0.24 -0.75 4.35 3.64 1o6pB1 LEU 99 HB2 0.02 0.31 0.20 -0.04 1.64 2.14 1o6pB1 LEU 99 HB3 0.02 -0.03 0.01 -0.04 1.64 1.60 1o6pB1 LEU 99 HG 0.02 0.14 0.09 -0.04 1.64 1.84 1o6pB1 LEU 99 HD13 -0.00 -0.00 -0.01 -0.04 0.93 0.87 1o6pB1 LEU 99 HD23 0.02 -0.08 -0.14 -0.04 0.89 0.66 1o6pB1 GLY 100 H 0.02 -0.02 0.15 -0.55 8.43 8.03 1o6pB1 GLY 100 HA2 0.06 -0.16 0.04 -0.51 4.01 3.44 1o6pB1 GLY 100 HA3 0.03 0.19 0.60 -0.51 4.01 4.32 1o6pB1 THR 101 H 0.01 0.55 0.06 -0.55 8.28 8.35 1o6pB1 THR 101 HA -0.04 0.13 0.87 -0.75 4.39 4.60 1o6pB1 THR 101 HB 0.02 -0.10 0.20 -0.04 4.32 4.40 1o6pB1 THR 101 HG23 0.04 0.06 -0.13 -0.04 1.22 1.15 1o6pB1 GLU 102 H -0.04 -0.07 0.01 -0.55 8.60 7.96 1o6pB1 GLU 102 HA -0.11 0.18 0.83 -0.75 4.29 4.43 1o6pB1 GLU 102 HB2 -0.33 -0.06 0.03 -0.04 2.09 1.69 1o6pB1 GLU 102 HB3 -1.31 0.03 0.04 -0.04 1.99 0.71 1o6pB1 GLU 102 HG2 0.00 0.11 -0.03 -0.04 2.34 2.38 1o6pB1 GLU 102 HG3 -0.05 0.08 -0.10 -0.04 2.34 2.23 1o6pB1 THR 103 H -0.06 0.13 0.16 -0.55 8.28 7.96 1o6pB1 THR 103 HA 0.11 0.15 0.61 -0.75 4.39 4.51 1o6pB1 THR 103 HB 0.11 -0.02 0.05 -0.04 4.32 4.42 1o6pB1 THR 103 HG23 0.08 -0.00 0.04 -0.04 1.22 1.29 1o6pB1 TYR 104 H -0.34 -0.04 0.02 -0.55 8.29 7.39 1o6pB1 TYR 104 HA 0.03 0.11 0.59 -0.75 4.56 4.54 1o6pB1 TYR 104 HB2 0.02 0.16 -0.07 -0.04 3.06 3.13 1o6pB1 TYR 104 HB3 0.02 -0.05 0.05 -0.04 2.98 2.96 1o6pB1 TYR 104 HD2 0.02 0.09 -0.12 -0.04 7.15 7.10 1o6pB1 TYR 104 HE2 0.02 0.05 0.01 -0.04 6.85 6.89 1o6pB1 ARG 105 H 0.07 0.15 0.15 -0.55 8.46 8.28 1o6pB1 ARG 105 HA -0.01 0.02 0.55 -0.75 4.34 4.14 1o6pB1 ARG 105 HB2 0.02 0.03 -0.01 -0.04 1.90 1.89 1o6pB1 ARG 105 HB3 -0.00 -0.03 0.04 -0.04 1.80 1.76 1o6pB1 ARG 105 HG2 -0.06 0.04 -0.20 -0.04 1.67 1.40 1o6pB1 ARG 105 HG3 -0.02 0.02 0.02 -0.04 1.67 1.66 1o6pB1 ARG 105 HD2 -0.04 -0.01 -0.02 -0.04 3.22 3.11 1o6pB1 ARG 105 HD3 -0.05 -0.01 -0.04 -0.04 3.22 3.08 1o6pB1 PRO 106 HA 0.04 -0.01 0.33 -0.51 4.44 4.29 1o6pB1 PRO 106 HB2 0.11 0.09 -0.03 -0.04 2.28 2.41 1o6pB1 PRO 106 HB3 0.06 0.02 0.04 -0.04 2.02 2.09 1o6pB1 PRO 106 HG2 0.10 0.06 -0.08 -0.04 2.03 2.07 1o6pB1 PRO 106 HG3 0.07 0.05 -0.00 -0.04 2.03 2.11 1o6pB1 PRO 106 HD2 0.10 0.11 0.39 -0.04 3.68 4.24 1o6pB1 PRO 106 HD3 0.07 0.08 -0.07 -0.04 3.65 3.68 1o6pB1 SER 107 H 0.06 0.10 0.09 -0.55 8.46 8.17 1o6pB1 SER 107 HA -0.00 0.11 0.41 -0.75 4.49 4.25 1o6pB1 SER 107 HB2 0.02 0.06 0.16 -0.04 3.95 4.14 1o6pB1 SER 107 HB3 0.08 0.05 0.12 -0.04 3.93 4.15 1o6pB1 SER 108 H 0.16 0.14 0.20 -0.55 8.46 8.40 1o6pB1 SER 108 HA 0.05 0.21 0.59 -0.75 4.49 4.59 1o6pB1 SER 108 HB2 0.28 -0.02 0.05 -0.04 3.95 4.22 1o6pB1 SER 108 HB3 0.08 0.02 -0.07 -0.04 3.93 3.91 1o6pB1 ALA 109 H 0.06 0.01 0.03 -0.55 8.40 7.95 1o6pB1 ALA 109 HA 0.02 0.18 0.52 -0.75 4.34 4.30 1o6pB1 ALA 109 HB3 0.04 0.08 0.06 -0.04 1.41 1.55 1o6pB1 SER 110 H 0.03 0.04 -0.19 -0.55 8.46 7.80 1o6pB1 SER 110 HA 0.04 0.06 0.31 -0.75 4.49 4.14 1o6pB1 SER 110 HB2 0.24 0.06 -0.34 -0.04 3.95 3.87 1o6pB1 SER 110 HB3 0.09 0.09 0.05 -0.04 3.93 4.12 1o6pB1 GLN 111 H -0.13 0.15 -0.70 -0.55 8.47 7.26 1o6pB1 GLN 111 HA -0.56 0.11 0.39 -0.75 4.36 3.55 1o6pB1 GLN 111 HB2 -0.17 0.11 -0.05 -0.04 2.15 2.00 1o6pB1 GLN 111 HB3 -0.28 0.04 -0.03 -0.04 2.02 1.71 1o6pB1 GLN 111 HG2 -1.17 0.02 -0.09 -0.04 2.40 1.12 1o6pB1 GLN 111 HG3 -0.40 -0.06 -0.11 -0.04 2.39 1.78 1o6pB1 GLN 111 HE21 0.01 -0.05 -0.10 -0.04 6.97 6.79 1o6pB1 GLN 111 HE22 -0.01 0.43 0.08 -0.04 7.69 8.14 1o6pB1 CYS 112 H -0.07 0.33 -0.34 -0.55 8.50 7.87 1o6pB1 CYS 112 HA -0.11 0.13 0.52 -0.75 4.58 4.37 1o6pB1 CYS 112 HB2 -0.02 0.10 0.16 -0.04 2.97 3.17 1o6pB1 CYS 112 HB3 -0.07 -0.03 -0.03 -0.04 2.97 2.80 1o6pB1 VAL 113 H 0.00 0.58 0.00 -0.55 8.24 8.28 1o6pB1 VAL 113 HA 0.24 0.03 0.35 -0.75 4.13 3.99 1o6pB1 VAL 113 HB 0.02 0.03 0.11 -0.04 2.12 2.24 1o6pB1 VAL 113 HG13 -0.11 -0.00 -0.24 -0.04 0.97 0.58 1o6pB1 VAL 113 HG23 0.10 0.02 -0.10 -0.04 0.95 0.93 1o6pB1 ALA 114 H -0.02 0.58 -0.23 -0.55 8.40 8.18 1o6pB1 ALA 114 HA 0.02 -0.02 0.29 -0.75 4.34 3.87 1o6pB1 ALA 114 HB3 0.03 0.05 -0.09 -0.04 1.41 1.36 1o6pB1 GLY 115 H -0.07 0.12 -0.83 -0.55 8.43 7.10 1o6pB1 GLY 115 HA2 -0.08 0.08 0.31 -0.51 4.01 3.81 1o6pB1 GLY 115 HA3 -0.13 0.06 0.25 -0.51 4.01 3.67 1o6pB1 ILE 116 H -0.13 0.56 -0.02 -0.55 8.25 8.12 1o6pB1 ILE 116 HA -0.64 0.11 0.44 -0.75 4.18 3.33 1o6pB1 ILE 116 HB 0.10 0.02 0.10 -0.04 1.89 2.07 1o6pB1 ILE 116 HG12 -1.44 0.02 -0.05 -0.04 1.49 -0.03 1o6pB1 ILE 116 HG13 -0.45 0.14 0.01 -0.04 1.21 0.87 1o6pB1 ILE 116 HG23 -0.36 -0.03 -0.13 -0.04 0.93 0.37 1o6pB1 ILE 116 HD13 -0.31 -0.03 -0.14 -0.04 0.88 0.35 1o6pB1 ALA 117 H 0.16 0.68 -0.07 -0.55 8.40 8.62 1o6pB1 ALA 117 HA 0.30 -0.09 0.40 -0.75 4.34 4.19 1o6pB1 ALA 117 HB3 0.01 0.01 0.04 -0.04 1.41 1.42 1o6pB1 CYS 118 H 0.01 0.53 -0.29 -0.55 8.50 8.20 1o6pB1 CYS 118 HA 0.02 -0.05 0.29 -0.75 4.58 4.08 1o6pB1 CYS 118 HB2 -0.01 0.19 0.07 -0.04 2.97 3.17 1o6pB1 CYS 118 HB3 0.01 -0.03 -0.00 -0.04 2.97 2.90 1o6pB1 ALA 119 H 0.00 0.25 -0.63 -0.55 8.40 7.47 1o6pB1 ALA 119 HA 0.06 0.11 0.79 -0.75 4.34 4.55 1o6pB1 ALA 119 HB3 0.05 0.04 0.14 -0.04 1.41 1.59 1o6pB1 GLU 120 H 0.12 0.48 0.14 -0.55 8.60 8.79 1o6pB1 GLU 120 HA 0.17 0.18 0.60 -0.75 4.29 4.48 1o6pB1 GLU 120 HB2 0.29 0.10 0.01 -0.04 2.09 2.45 1o6pB1 GLU 120 HB3 0.28 -0.22 -0.20 -0.04 1.99 1.81 1o6pB1 GLU 120 HG2 0.27 0.03 -0.07 -0.04 2.34 2.53 1o6pB1 GLU 120 HG3 0.44 0.08 -0.07 -0.04 2.34 2.75 1o6pB1 ILE 121 H 0.12 0.92 0.18 -0.55 8.25 8.92 1o6pB1 ILE 121 HA 0.09 -0.16 0.42 -0.75 4.18 3.78 1o6pB1 ILE 121 HB 0.03 0.22 0.04 -0.04 1.89 2.14 1o6pB1 ILE 121 HG12 -0.00 -0.08 -0.01 -0.04 1.49 1.36 1o6pB1 ILE 121 HG13 0.08 -0.05 0.07 -0.04 1.21 1.27 1o6pB1 ILE 121 HG23 -0.02 -0.01 -0.16 -0.04 0.93 0.70 1o6pB1 ILE 121 HD13 -0.07 0.00 -0.08 -0.04 0.88 0.69 1o6pB1 PRO 122 HA 0.02 0.03 0.40 -0.51 4.44 4.38 1o6pB1 PRO 122 HB2 0.03 0.01 0.09 -0.04 2.28 2.37 1o6pB1 PRO 122 HB3 0.02 -0.05 0.11 -0.04 2.02 2.05 1o6pB1 PRO 122 HG2 0.05 0.22 -0.21 -0.04 2.03 2.05 1o6pB1 PRO 122 HG3 0.04 0.21 0.03 -0.04 2.03 2.27 1o6pB1 PRO 122 HD2 0.06 0.06 -0.42 -0.04 3.68 3.34 1o6pB1 PRO 122 HD3 0.03 0.06 -0.01 -0.04 3.65 3.69 1o6pB1 VAL 123 H 0.06 0.18 -1.07 -0.55 8.24 6.87 1o6pB1 VAL 123 HA 0.04 0.13 0.74 -0.75 4.13 4.28 1o6pB1 VAL 123 HB 0.08 0.06 0.02 -0.04 2.12 2.24 1o6pB1 VAL 123 HG13 0.04 -0.02 0.11 -0.04 0.97 1.06 1o6pB1 VAL 123 HG23 0.05 0.01 -0.24 -0.04 0.95 0.73 1o6pB1 ASN 124 H 0.05 0.54 0.16 -0.55 8.53 8.74 1o6pB1 ASN 124 HA 0.05 -0.04 0.37 -0.75 4.76 4.39 1o6pB1 ASN 124 HB2 0.04 0.13 0.19 -0.04 2.88 3.20 1o6pB1 ASN 124 HB3 0.04 -0.08 0.18 -0.04 2.79 2.88 1o6pB1 ASN 124 HD21 0.02 -0.01 -0.14 -0.04 7.03 6.86 1o6pB1 ASN 124 HD22 0.03 0.08 -0.19 -0.04 7.74 7.62 1o6pB1 GLN 125 H 0.12 0.46 -0.16 -0.55 8.47 8.34 1o6pB1 GLN 125 HA 0.09 0.20 0.78 -0.75 4.36 4.68 1o6pB1 GLN 125 HB2 0.09 0.10 -0.04 -0.04 2.15 2.26 1o6pB1 GLN 125 HB3 0.15 0.03 0.07 -0.04 2.02 2.23 1o6pB1 GLN 125 HG2 0.11 0.03 -0.00 -0.04 2.40 2.49 1o6pB1 GLN 125 HG3 0.08 -0.08 0.04 -0.04 2.39 2.39 1o6pB1 GLN 125 HE21 0.01 -0.04 0.04 -0.04 6.97 6.94 1o6pB1 GLN 125 HE22 0.05 0.05 0.02 -0.04 7.69 7.77 1o6pB1 TRP 126 H 0.24 0.07 -0.26 -0.55 7.97 7.48 1o6pB1 TRP 126 HA 0.04 0.21 0.70 -0.75 4.62 4.81 1o6pB1 TRP 126 HB2 0.07 0.09 -0.21 -0.04 3.23 3.15 1o6pB1 TRP 126 HB3 0.03 -0.03 0.05 -0.04 3.23 3.23 1o6pB1 TRP 126 HD1 0.03 -0.04 -0.02 -0.04 7.22 7.14 1o6pB1 TRP 126 HE1 0.01 0.04 -0.08 -0.04 10.20 10.14 1o6pB1 TRP 126 HE3 -0.00 0.01 -0.15 -0.04 7.59 7.41 1o6pB1 TRP 126 HZ2 -0.03 0.10 -0.08 -0.04 7.44 7.39 1o6pB1 TRP 126 HZ3 -0.07 0.04 0.02 -0.04 7.13 7.08 1o6pB1 TRP 126 HH2 -0.04 0.01 -0.04 -0.04 7.19 7.08 1o6pB1 PRO 127 HA 0.03 0.05 0.31 -0.51 4.44 4.32 1o6pB1 PRO 127 HB2 0.04 0.03 -0.02 -0.04 2.28 2.29 1o6pB1 PRO 127 HB3 0.05 0.07 0.06 -0.04 2.02 2.16 1o6pB1 PRO 127 HG2 0.11 -0.03 -0.06 -0.04 2.03 2.01 1o6pB1 PRO 127 HG3 0.08 0.13 -0.02 -0.04 2.03 2.18 1o6pB1 PRO 127 HD2 0.19 0.25 -0.45 -0.04 3.68 3.64 1o6pB1 PRO 127 HD3 0.13 0.28 -0.45 -0.04 3.65 3.56 1o6pB1 GLU 128 H 0.17 0.09 -0.47 -0.55 8.60 7.84 1o6pB1 GLU 128 HA -0.00 0.15 0.57 -0.75 4.29 4.26 1o6pB1 GLU 128 HB2 0.12 0.03 -0.09 -0.04 2.09 2.12 1o6pB1 GLU 128 HB3 0.06 0.01 0.02 -0.04 1.99 2.05 1o6pB1 GLU 128 HG2 0.13 0.04 -0.04 -0.04 2.34 2.42 1o6pB1 GLU 128 HG3 0.11 -0.01 -0.10 -0.04 2.34 2.30 1o6pB1 LEU 129 H -0.44 0.34 -0.09 -0.55 8.37 7.63 1o6pB1 LEU 129 HA -0.60 0.02 0.26 -0.75 4.35 3.27 1o6pB1 LEU 129 HB2 -2.31 0.02 0.12 -0.04 1.64 -0.58 1o6pB1 LEU 129 HB3 -0.65 0.06 0.13 -0.04 1.64 1.14 1o6pB1 LEU 129 HG -0.50 -0.02 -0.25 -0.04 1.64 0.83 1o6pB1 LEU 129 HD13 -0.96 -0.02 -0.04 -0.04 0.93 -0.13 1o6pB1 LEU 129 HD23 -0.73 0.01 -0.05 -0.04 0.89 0.09 1o6pB1 ILE 130 H -0.22 0.19 -0.14 -0.55 8.25 7.52 1o6pB1 ILE 130 HA -0.16 -0.00 0.27 -0.75 4.18 3.54 1o6pB1 ILE 130 HB -0.09 0.11 0.08 -0.04 1.89 1.94 1o6pB1 ILE 130 HG12 -0.16 0.00 0.03 -0.04 1.49 1.33 1o6pB1 ILE 130 HG13 -0.11 0.05 0.00 -0.04 1.21 1.12 1o6pB1 ILE 130 HG23 -0.07 -0.01 -0.07 -0.04 0.93 0.74 1o6pB1 ILE 130 HD13 -0.14 -0.01 -0.06 -0.04 0.88 0.64 1o6pB1 PRO 131 HA -0.04 -0.01 0.39 -0.51 4.44 4.27 1o6pB1 PRO 131 HB2 -0.02 0.05 0.01 -0.04 2.28 2.27 1o6pB1 PRO 131 HB3 -0.02 -0.01 0.10 -0.04 2.02 2.05 1o6pB1 PRO 131 HG2 -0.03 0.10 0.14 -0.04 2.03 2.19 1o6pB1 PRO 131 HG3 -0.03 0.02 0.08 -0.04 2.03 2.07 1o6pB1 PRO 131 HD2 -0.09 0.09 -0.11 -0.04 3.68 3.53 1o6pB1 PRO 131 HD3 -0.06 0.05 0.05 -0.04 3.65 3.65 1o6pB1 GLN 132 H -0.09 0.60 -0.31 -0.55 8.47 8.12 1o6pB1 GLN 132 HA -0.02 0.00 0.43 -0.75 4.36 4.02 1o6pB1 GLN 132 HB2 -0.03 -0.01 0.01 -0.04 2.15 2.08 1o6pB1 GLN 132 HB3 -0.11 0.16 0.09 -0.04 2.02 2.13 1o6pB1 GLN 132 HG2 0.02 -0.01 -0.08 -0.04 2.40 2.29 1o6pB1 GLN 132 HG3 -0.02 -0.01 -0.21 -0.04 2.39 2.11 1o6pB1 GLN 132 HE21 0.03 -0.01 -0.03 -0.04 6.97 6.92 1o6pB1 GLN 132 HE22 0.02 -0.01 -0.05 -0.04 7.69 7.62 1o6pB1 LEU 133 H -0.12 0.72 0.09 -0.55 8.37 8.51 1o6pB1 LEU 133 HA -0.06 -0.00 0.42 -0.75 4.35 3.95 1o6pB1 LEU 133 HB2 -0.10 0.06 0.12 -0.04 1.64 1.68 1o6pB1 LEU 133 HB3 -0.07 -0.05 -0.04 -0.04 1.64 1.44 1o6pB1 LEU 133 HG -0.23 0.13 -0.10 -0.04 1.64 1.40 1o6pB1 LEU 133 HD13 -0.14 -0.02 -0.13 -0.04 0.93 0.60 1o6pB1 LEU 133 HD23 -0.10 -0.02 -0.01 -0.04 0.89 0.72 1o6pB1 VAL 134 H -0.05 0.71 -0.16 -0.55 8.24 8.19 1o6pB1 VAL 134 HA -0.02 -0.01 0.38 -0.75 4.13 3.73 1o6pB1 VAL 134 HB -0.03 0.09 0.10 -0.04 2.12 2.24 1o6pB1 VAL 134 HG13 -0.01 -0.02 -0.16 -0.04 0.97 0.75 1o6pB1 VAL 134 HG23 -0.02 -0.01 -0.14 -0.04 0.95 0.74 1o6pB1 ALA 135 H -0.02 0.75 -0.01 -0.55 8.40 8.57 1o6pB1 ALA 135 HA -0.01 -0.04 0.34 -0.75 4.34 3.88 1o6pB1 ALA 135 HB3 -0.00 0.01 0.12 -0.04 1.41 1.49 1o6pB1 ASN 136 H -0.01 0.65 -0.29 -0.55 8.53 8.33 1o6pB1 ASN 136 HA 0.01 -0.06 0.32 -0.75 4.76 4.28 1o6pB1 ASN 136 HB2 -0.01 0.21 0.16 -0.04 2.88 3.19 1o6pB1 ASN 136 HB3 0.00 -0.07 -0.09 -0.04 2.79 2.60 1o6pB1 ASN 136 HD21 0.00 -0.02 -0.08 -0.04 7.03 6.89 1o6pB1 ASN 136 HD22 -0.02 -0.07 -0.02 -0.04 7.74 7.59 1o6pB1 VAL 137 H -0.01 0.40 -0.22 -0.55 8.24 7.86 1o6pB1 VAL 137 HA -0.00 -0.02 0.54 -0.75 4.13 3.89 1o6pB1 VAL 137 HB -0.01 0.03 0.14 -0.04 2.12 2.23 1o6pB1 VAL 137 HG13 -0.01 0.01 -0.05 -0.04 0.97 0.88 1o6pB1 VAL 137 HG23 -0.01 0.05 -0.00 -0.04 0.95 0.94 1o6pB1 THR 138 H -0.00 0.54 0.02 -0.55 8.28 8.29 1o6pB1 THR 138 HA 0.00 0.14 0.49 -0.75 4.39 4.27 1o6pB1 THR 138 HB 0.00 -0.05 0.07 -0.04 4.32 4.30 1o6pB1 THR 138 HG23 -0.00 0.02 -0.06 -0.04 1.22 1.13 1o6pB1 ASN 139 H 0.00 0.38 -0.36 -0.55 8.53 8.01 1o6pB1 ASN 139 HA 0.00 0.05 0.52 -0.75 4.76 4.58 1o6pB1 ASN 139 HB2 0.01 0.16 0.10 -0.04 2.88 3.10 1o6pB1 ASN 139 HB3 0.01 -0.02 0.13 -0.04 2.79 2.87 1o6pB1 ASN 139 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.96 1o6pB1 ASN 139 HD22 0.01 0.05 -0.01 -0.04 7.74 7.74 1o6pB1 PRO 140 HA 0.00 0.16 0.44 -0.51 4.44 4.54 1o6pB1 PRO 140 HB2 0.00 -0.00 0.08 -0.04 2.28 2.31 1o6pB1 PRO 140 HB3 0.00 0.05 0.13 -0.04 2.02 2.16 1o6pB1 PRO 140 HG2 0.00 -0.02 0.02 -0.04 2.03 1.99 1o6pB1 PRO 140 HG3 0.00 0.01 0.08 -0.04 2.03 2.08 1o6pB1 PRO 140 HD2 0.00 0.01 0.26 -0.04 3.68 3.91 1o6pB1 PRO 140 HD3 0.00 0.24 0.26 -0.04 3.65 4.11 1o6pB1 ASN 141 H 0.01 -0.03 -0.48 -0.55 8.53 7.48 1o6pB1 ASN 141 HA 0.01 0.24 0.92 -0.75 4.76 5.18 1o6pB1 ASN 141 HB2 0.01 -0.03 -0.01 -0.04 2.88 2.80 1o6pB1 ASN 141 HB3 0.01 -0.03 0.02 -0.04 2.79 2.75 1o6pB1 ASN 141 HD21 0.00 -0.01 -0.04 -0.04 7.03 6.95 1o6pB1 ASN 141 HD22 0.00 -0.01 -0.03 -0.04 7.74 7.66 1o6pB1 SER 142 H 0.01 0.20 -0.19 -0.55 8.46 7.93 1o6pB1 SER 142 HA 0.01 -0.12 0.40 -0.75 4.49 4.04 1o6pB1 SER 142 HB2 0.01 0.31 0.16 -0.04 3.95 4.39 1o6pB1 SER 142 HB3 0.01 -0.07 0.04 -0.04 3.93 3.87 1o6pB1 THR 143 H 0.02 0.04 0.26 -0.55 8.28 8.04 1o6pB1 THR 143 HA 0.03 0.22 0.50 -0.75 4.39 4.39 1o6pB1 THR 143 HB 0.05 -0.10 0.28 -0.04 4.32 4.51 1o6pB1 THR 143 HG23 -0.01 0.07 0.16 -0.04 1.22 1.40 1o6pB1 GLU 144 H 0.11 0.20 0.23 -0.55 8.60 8.59 1o6pB1 GLU 144 HA 0.02 0.20 0.55 -0.75 4.29 4.31 1o6pB1 GLU 144 HB2 0.11 0.01 0.14 -0.04 2.09 2.31 1o6pB1 GLU 144 HB3 -0.01 -0.06 0.15 -0.04 1.99 2.03 1o6pB1 GLU 144 HG2 0.04 0.04 0.12 -0.04 2.34 2.50 1o6pB1 GLU 144 HG3 0.03 0.01 0.08 -0.04 2.34 2.42 1o6pB1 HIS 145 H 0.28 0.07 -0.15 -0.55 8.41 8.07 1o6pB1 HIS 145 HA -0.03 0.12 0.68 -0.75 4.63 4.64 1o6pB1 HIS 145 HB2 -0.02 0.12 0.09 -0.04 3.26 3.41 1o6pB1 HIS 145 HB3 -0.04 -0.02 0.01 -0.04 3.20 3.11 1o6pB1 HIS 145 HD2 -0.01 -0.20 0.02 -0.04 6.97 6.73 1o6pB1 HIS 145 HE1 -0.03 0.03 0.02 -0.04 7.75 7.73 1o6pB1 MET 146 H 0.09 0.01 -0.13 -0.55 8.47 7.90 1o6pB1 MET 146 HA 0.04 0.05 0.30 -0.75 4.52 4.16 1o6pB1 MET 146 HB2 0.03 -0.05 0.19 -0.04 2.15 2.28 1o6pB1 MET 146 HB3 0.03 0.18 0.13 -0.04 2.03 2.33 1o6pB1 MET 146 HG2 0.02 -0.01 0.09 -0.04 2.63 2.68 1o6pB1 MET 146 HG3 0.02 0.15 -0.14 -0.04 2.56 2.55 1o6pB1 MET 146 HE3 0.02 -0.03 -0.03 -0.04 2.10 2.02 1o6pB1 LYS 147 H 0.02 0.42 -0.28 -0.55 8.42 8.03 1o6pB1 LYS 147 HA 0.00 0.12 0.30 -0.75 4.32 3.99 1o6pB1 LYS 147 HB2 -0.01 -0.07 0.03 -0.04 1.87 1.78 1o6pB1 LYS 147 HB3 -0.01 0.00 0.01 -0.04 1.79 1.75 1o6pB1 LYS 147 HG2 0.00 0.21 0.11 -0.04 1.46 1.74 1o6pB1 LYS 147 HG3 0.01 0.12 0.00 -0.04 1.46 1.55 1o6pB1 LYS 147 HD2 -0.00 -0.17 0.01 -0.04 1.69 1.49 1o6pB1 LYS 147 HD3 -0.00 -0.01 -0.01 -0.04 1.68 1.62 1o6pB1 LYS 147 HE2 0.00 0.11 -0.02 -0.04 2.99 3.05 1o6pB1 LYS 147 HE3 0.01 0.24 -0.09 -0.04 2.99 3.10 1o6pB1 GLU 148 H -0.01 0.22 -0.32 -0.55 8.60 7.94 1o6pB1 GLU 148 HA -0.03 0.08 0.42 -0.75 4.29 4.00 1o6pB1 GLU 148 HB2 -0.06 0.01 0.08 -0.04 2.09 2.08 1o6pB1 GLU 148 HB3 -0.07 0.03 0.19 -0.04 1.99 2.11 1o6pB1 GLU 148 HG2 -0.05 -0.04 -0.32 -0.04 2.34 1.89 1o6pB1 GLU 148 HG3 -0.05 0.05 -0.10 -0.04 2.34 2.20 1o6pB1 SER 149 H 0.00 0.68 -0.03 -0.55 8.46 8.56 1o6pB1 SER 149 HA 0.01 0.00 0.52 -0.75 4.49 4.27 1o6pB1 SER 149 HB2 0.01 -0.12 0.08 -0.04 3.95 3.88 1o6pB1 SER 149 HB3 -0.01 0.00 0.12 -0.04 3.93 4.01 1o6pB1 THR 150 H 0.00 0.47 -0.28 -0.55 8.28 7.93 1o6pB1 THR 150 HA -0.00 -0.01 0.44 -0.75 4.39 4.07 1o6pB1 THR 150 HB -0.01 0.11 0.11 -0.04 4.32 4.50 1o6pB1 THR 150 HG23 -0.02 0.02 -0.04 -0.04 1.22 1.13 1o6pB1 LEU 151 H -0.01 0.69 -0.14 -0.55 8.37 8.36 1o6pB1 LEU 151 HA -0.02 0.00 0.34 -0.75 4.35 3.91 1o6pB1 LEU 151 HB2 -0.03 0.11 0.11 -0.04 1.64 1.79 1o6pB1 LEU 151 HB3 -0.04 -0.05 -0.24 -0.04 1.64 1.27 1o6pB1 LEU 151 HG -0.02 0.05 0.05 -0.04 1.64 1.67 1o6pB1 LEU 151 HD13 -0.03 -0.01 -0.06 -0.04 0.93 0.79 1o6pB1 LEU 151 HD23 -0.03 0.00 -0.12 -0.04 0.89 0.71 1o6pB1 GLU 152 H 0.00 0.27 -0.52 -0.55 8.60 7.81 1o6pB1 GLU 152 HA -0.09 0.10 0.44 -0.75 4.29 3.99 1o6pB1 GLU 152 HB2 0.07 0.09 0.19 -0.04 2.09 2.40 1o6pB1 GLU 152 HB3 0.16 -0.05 0.01 -0.04 1.99 2.07 1o6pB1 GLU 152 HG2 -0.03 0.01 0.03 -0.04 2.34 2.31 1o6pB1 GLU 152 HG3 -0.01 0.38 0.10 -0.04 2.34 2.77 1o6pB1 ALA 153 H 0.05 0.42 -0.22 -0.55 8.40 8.10 1o6pB1 ALA 153 HA 0.20 0.07 0.48 -0.75 4.34 4.33 1o6pB1 ALA 153 HB3 0.02 0.01 0.12 -0.04 1.41 1.52 1o6pB1 ILE 154 H -0.00 0.65 -0.01 -0.55 8.25 8.34 1o6pB1 ILE 154 HA -0.01 -0.02 0.31 -0.75 4.18 3.70 1o6pB1 ILE 154 HB -0.02 0.10 0.06 -0.04 1.89 2.00 1o6pB1 ILE 154 HG12 -0.04 -0.08 -0.05 -0.04 1.49 1.29 1o6pB1 ILE 154 HG13 -0.03 0.13 -0.02 -0.04 1.21 1.26 1o6pB1 ILE 154 HG23 0.01 -0.01 -0.18 -0.04 0.93 0.71 1o6pB1 ILE 154 HD13 -0.02 -0.00 -0.20 -0.04 0.88 0.62 1o6pB1 GLY 155 H -0.04 0.48 -0.45 -0.55 8.43 7.88 1o6pB1 GLY 155 HA2 -0.06 0.01 0.35 -0.51 4.01 3.80 1o6pB1 GLY 155 HA3 -0.15 0.09 0.21 -0.51 4.01 3.65 1o6pB1 TYR 156 H 0.01 0.48 -0.17 -0.55 8.29 8.06 1o6pB1 TYR 156 HA -0.00 0.02 0.38 -0.75 4.56 4.20 1o6pB1 TYR 156 HB2 -0.01 0.08 0.14 -0.04 3.06 3.22 1o6pB1 TYR 156 HB3 -0.01 -0.03 -0.06 -0.04 2.98 2.84 1o6pB1 TYR 156 HD2 -0.01 0.03 -0.14 -0.04 7.15 7.00 1o6pB1 TYR 156 HE2 0.00 -0.07 -0.11 -0.04 6.85 6.63 1o6pB1 ILE 157 H 0.09 0.65 -0.14 -0.55 8.25 8.30 1o6pB1 ILE 157 HA 0.04 0.03 0.38 -0.75 4.18 3.88 1o6pB1 ILE 157 HB 0.01 0.08 0.10 -0.04 1.89 2.04 1o6pB1 ILE 157 HG12 -0.00 -0.06 -0.08 -0.04 1.49 1.30 1o6pB1 ILE 157 HG13 0.02 0.47 -0.03 -0.04 1.21 1.63 1o6pB1 ILE 157 HG23 -0.03 -0.02 -0.16 -0.04 0.93 0.68 1o6pB1 ILE 157 HD13 -0.11 -0.05 -0.17 -0.04 0.88 0.51 1o6pB1 CYS 158 H 0.06 0.57 -0.14 -0.55 8.50 8.44 1o6pB1 CYS 158 HA 0.15 -0.05 0.22 -0.75 4.58 4.15 1o6pB1 CYS 158 HB2 0.06 0.12 0.05 -0.04 2.97 3.17 1o6pB1 CYS 158 HB3 0.17 0.07 -0.31 -0.04 2.97 2.86 1o6pB1 GLN 159 H 0.04 0.47 -0.19 -0.55 8.47 8.24 1o6pB1 GLN 159 HA 0.03 -0.01 0.41 -0.75 4.36 4.04 1o6pB1 GLN 159 HB2 -0.02 -0.03 0.09 -0.04 2.15 2.15 1o6pB1 GLN 159 HB3 0.05 0.05 0.16 -0.04 2.02 2.23 1o6pB1 GLN 159 HG2 0.05 0.05 -0.33 -0.04 2.40 2.12 1o6pB1 GLN 159 HG3 0.01 -0.05 -0.01 -0.04 2.39 2.31 1o6pB1 GLN 159 HE21 0.13 -0.07 -0.06 -0.04 6.97 6.92 1o6pB1 GLN 159 HE22 0.11 0.05 -0.09 -0.04 7.69 7.71 1o6pB1 ASP 160 H 0.07 0.54 -0.16 -0.55 8.40 8.29 1o6pB1 ASP 160 HA 0.03 0.14 0.77 -0.75 4.63 4.82 1o6pB1 ASP 160 HB2 0.05 0.08 0.04 -0.04 2.71 2.84 1o6pB1 ASP 160 HB3 0.03 -0.07 0.07 -0.04 2.70 2.68 1o6pB1 ILE 161 H 0.04 0.54 -0.03 -0.55 8.25 8.25 1o6pB1 ILE 161 HA 0.01 0.11 0.84 -0.75 4.18 4.39 1o6pB1 ILE 161 HB 0.01 -0.03 -0.02 -0.04 1.89 1.81 1o6pB1 ILE 161 HG12 -0.02 -0.00 -0.05 -0.04 1.49 1.37 1o6pB1 ILE 161 HG13 0.00 0.06 0.08 -0.04 1.21 1.31 1o6pB1 ILE 161 HG23 -0.02 0.07 -0.28 -0.04 0.93 0.66 1o6pB1 ILE 161 HD13 -0.02 -0.03 -0.14 -0.04 0.88 0.64 1o6pB1 ASP 162 H 0.01 0.12 0.13 -0.55 8.40 8.11 1o6pB1 ASP 162 HA 0.02 0.15 0.40 -0.75 4.63 4.46 1o6pB1 ASP 162 HB2 -0.00 -0.08 0.12 -0.04 2.71 2.71 1o6pB1 ASP 162 HB3 0.01 -0.05 0.09 -0.04 2.70 2.71 1o6pB1 PRO 163 HA 0.04 0.10 0.32 -0.51 4.44 4.39 1o6pB1 PRO 163 HB2 0.31 -0.04 -0.12 -0.04 2.28 2.38 1o6pB1 PRO 163 HB3 0.32 0.15 0.09 -0.04 2.02 2.53 1o6pB1 PRO 163 HG2 0.08 -0.03 0.01 -0.04 2.03 2.05 1o6pB1 PRO 163 HG3 0.09 0.07 0.06 -0.04 2.03 2.21 1o6pB1 PRO 163 HD2 0.04 0.01 0.24 -0.04 3.68 3.93 1o6pB1 PRO 163 HD3 0.07 0.35 0.23 -0.04 3.65 4.25 1o6pB1 GLU 164 H 0.02 0.08 -0.65 -0.55 8.60 7.51 1o6pB1 GLU 164 HA 0.01 0.04 0.34 -0.75 4.29 3.93 1o6pB1 GLU 164 HB2 0.01 0.01 0.06 -0.04 2.09 2.13 1o6pB1 GLU 164 HB3 -0.00 0.04 -0.04 -0.04 1.99 1.95 1o6pB1 GLU 164 HG2 0.00 0.03 -0.03 -0.04 2.34 2.30 1o6pB1 GLU 164 HG3 0.00 -0.03 0.09 -0.04 2.34 2.36 1o6pB1 GLN 165 H -0.07 0.81 -0.48 -0.55 8.47 8.18 1o6pB1 GLN 165 HA -0.07 0.16 0.88 -0.75 4.36 4.59 1o6pB1 GLN 165 HB2 -0.06 0.14 0.02 -0.04 2.15 2.22 1o6pB1 GLN 165 HB3 -0.05 -0.04 0.11 -0.04 2.02 2.00 1o6pB1 GLN 165 HG2 -0.02 0.02 -0.09 -0.04 2.40 2.27 1o6pB1 GLN 165 HG3 -0.02 -0.12 -0.26 -0.04 2.39 1.95 1o6pB1 GLN 165 HE21 0.00 0.07 0.05 -0.04 6.97 7.05 1o6pB1 GLN 165 HE22 -0.01 0.01 0.03 -0.04 7.69 7.68 1o6pB1 LEU 166 H -0.26 0.24 -0.14 -0.55 8.37 7.66 1o6pB1 LEU 166 HA -0.27 0.17 0.76 -0.75 4.35 4.25 1o6pB1 LEU 166 HB2 -1.28 0.12 -0.07 -0.04 1.64 0.37 1o6pB1 LEU 166 HB3 -0.96 -0.09 -0.00 -0.04 1.64 0.55 1o6pB1 LEU 166 HG -0.26 0.07 -0.62 -0.04 1.64 0.80 1o6pB1 LEU 166 HD13 -0.21 0.02 -0.22 -0.04 0.93 0.48 1o6pB1 LEU 166 HD23 -0.18 -0.02 -0.04 -0.04 0.89 0.61 1o6pB1 GLN 167 H -0.17 0.20 0.08 -0.55 8.47 8.03 1o6pB1 GLN 167 HA 0.05 0.14 0.48 -0.75 4.36 4.28 1o6pB1 GLN 167 HB2 0.00 0.13 0.18 -0.04 2.15 2.42 1o6pB1 GLN 167 HB3 0.02 0.02 0.01 -0.04 2.02 2.03 1o6pB1 GLN 167 HG2 0.11 -0.06 0.10 -0.04 2.40 2.50 1o6pB1 GLN 167 HG3 0.22 0.05 0.17 -0.04 2.39 2.79 1o6pB1 GLN 167 HE21 0.09 0.06 0.04 -0.04 6.97 7.11 1o6pB1 GLN 167 HE22 0.11 -0.12 0.02 -0.04 7.69 7.66 1o6pB1 ASP 168 H -0.07 0.16 -0.43 -0.55 8.40 7.51 1o6pB1 ASP 168 HA -0.00 0.14 0.58 -0.75 4.63 4.60 1o6pB1 ASP 168 HB2 -0.02 0.03 0.12 -0.04 2.71 2.80 1o6pB1 ASP 168 HB3 -0.01 0.03 0.04 -0.04 2.70 2.71 1o6pB1 LYS 169 H -0.06 0.41 -0.42 -0.55 8.42 7.79 1o6pB1 LYS 169 HA -0.02 0.10 0.67 -0.75 4.32 4.32 1o6pB1 LYS 169 HB2 -0.12 0.15 0.03 -0.04 1.87 1.89 1o6pB1 LYS 169 HB3 -0.06 -0.11 0.12 -0.04 1.79 1.70 1o6pB1 LYS 169 HG2 -0.06 -0.04 -0.52 -0.04 1.46 0.80 1o6pB1 LYS 169 HG3 -0.08 0.03 -0.06 -0.04 1.46 1.31 1o6pB1 LYS 169 HD2 -0.04 -0.09 0.04 -0.04 1.69 1.55 1o6pB1 LYS 169 HD3 -0.03 0.08 0.15 -0.04 1.68 1.85 1o6pB1 LYS 169 HE2 -0.03 0.05 -0.03 -0.04 2.99 2.93 1o6pB1 LYS 169 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.89 1o6pB1 SER 170 H 0.02 0.12 -0.07 -0.55 8.46 7.98 1o6pB1 SER 170 HA 0.30 0.05 0.35 -0.75 4.49 4.44 1o6pB1 SER 170 HB2 0.33 0.16 0.21 -0.04 3.95 4.60 1o6pB1 SER 170 HB3 0.25 -0.01 0.28 -0.04 3.93 4.41 1o6pB1 ASN 171 H 0.04 0.11 -0.34 -0.55 8.53 7.79 1o6pB1 ASN 171 HA 0.03 0.12 0.53 -0.75 4.76 4.69 1o6pB1 ASN 171 HB2 0.02 0.00 -0.00 -0.04 2.88 2.86 1o6pB1 ASN 171 HB3 0.01 0.04 -0.07 -0.04 2.79 2.73 1o6pB1 ASN 171 HD21 0.02 0.01 -0.08 -0.04 7.03 6.95 1o6pB1 ASN 171 HD22 0.03 -0.01 -0.03 -0.04 7.74 7.69 1o6pB1 GLU 172 H 0.02 0.12 -0.20 -0.55 8.60 7.99 1o6pB1 GLU 172 HA 0.00 0.07 0.40 -0.75 4.29 4.01 1o6pB1 GLU 172 HB2 -0.00 0.09 0.19 -0.04 2.09 2.33 1o6pB1 GLU 172 HB3 -0.01 0.00 -0.03 -0.04 1.99 1.92 1o6pB1 GLU 172 HG2 -0.01 0.03 0.03 -0.04 2.34 2.34 1o6pB1 GLU 172 HG3 -0.01 0.02 0.01 -0.04 2.34 2.33 1o6pB1 ILE 173 H 0.03 0.52 -0.01 -0.55 8.25 8.24 1o6pB1 ILE 173 HA 0.01 0.00 0.30 -0.75 4.18 3.75 1o6pB1 ILE 173 HB 0.16 0.07 0.04 -0.04 1.89 2.12 1o6pB1 ILE 173 HG12 0.01 -0.05 -0.01 -0.04 1.49 1.40 1o6pB1 ILE 173 HG13 0.01 0.04 0.05 -0.04 1.21 1.26 1o6pB1 ILE 173 HG23 0.12 0.00 -0.22 -0.04 0.93 0.79 1o6pB1 ILE 173 HD13 -0.01 0.01 -0.11 -0.04 0.88 0.73 1o6pB1 LEU 174 H 0.06 0.50 -0.20 -0.55 8.37 8.19 1o6pB1 LEU 174 HA -0.02 -0.03 0.29 -0.75 4.35 3.84 1o6pB1 LEU 174 HB2 0.02 0.38 0.20 -0.04 1.64 2.19 1o6pB1 LEU 174 HB3 -0.02 0.01 -0.10 -0.04 1.64 1.49 1o6pB1 LEU 174 HG -0.06 0.03 -0.00 -0.04 1.64 1.57 1o6pB1 LEU 174 HD13 -0.08 -0.01 -0.04 -0.04 0.93 0.76 1o6pB1 LEU 174 HD23 -0.10 -0.02 -0.00 -0.04 0.89 0.73 1o6pB1 THR 175 H 0.01 0.43 -0.53 -0.55 8.28 7.63 1o6pB1 THR 175 HA 0.01 -0.01 0.41 -0.75 4.39 4.04 1o6pB1 THR 175 HB 0.00 0.14 0.16 -0.04 4.32 4.58 1o6pB1 THR 175 HG23 0.01 -0.03 -0.07 -0.04 1.22 1.10 1o6pB1 ALA 176 H -0.00 0.42 -0.05 -0.55 8.40 8.22 1o6pB1 ALA 176 HA -0.01 0.04 0.34 -0.75 4.34 3.97 1o6pB1 ALA 176 HB3 -0.01 0.00 0.08 -0.04 1.41 1.44 1o6pB1 ILE 177 H -0.02 0.64 -0.12 -0.55 8.25 8.20 1o6pB1 ILE 177 HA -0.04 0.01 0.36 -0.75 4.18 3.76 1o6pB1 ILE 177 HB -0.05 0.01 0.07 -0.04 1.89 1.88 1o6pB1 ILE 177 HG12 -0.02 -0.03 -0.11 -0.04 1.49 1.28 1o6pB1 ILE 177 HG13 -0.01 0.16 -0.13 -0.04 1.21 1.19 1o6pB1 ILE 177 HG23 -0.07 0.01 -0.18 -0.04 0.93 0.66 1o6pB1 ILE 177 HD13 -0.02 -0.02 -0.32 -0.04 0.88 0.49 1o6pB1 ILE 178 H -0.06 0.70 -0.01 -0.55 8.25 8.33 1o6pB1 ILE 178 HA -0.13 -0.03 0.24 -0.75 4.18 3.50 1o6pB1 ILE 178 HB -0.05 0.14 0.07 -0.04 1.89 2.01 1o6pB1 ILE 178 HG12 -0.10 0.13 0.10 -0.04 1.49 1.58 1o6pB1 ILE 178 HG13 -0.15 -0.07 -0.03 -0.04 1.21 0.92 1o6pB1 ILE 178 HG23 -0.30 -0.03 -0.06 -0.04 0.93 0.51 1o6pB1 ILE 178 HD13 -0.22 -0.02 -0.04 -0.04 0.88 0.55 1o6pB1 GLN 179 H -0.03 0.30 -0.86 -0.55 8.47 7.34 1o6pB1 GLN 179 HA 0.01 -0.04 0.43 -0.75 4.36 4.01 1o6pB1 GLN 179 HB2 0.00 0.10 0.08 -0.04 2.15 2.29 1o6pB1 GLN 179 HB3 -0.01 0.28 0.14 -0.04 2.02 2.38 1o6pB1 GLN 179 HG2 0.00 -0.01 -0.15 -0.04 2.40 2.19 1o6pB1 GLN 179 HG3 -0.00 0.00 -0.30 -0.04 2.39 2.05 1o6pB1 GLN 179 HE21 0.03 -0.07 0.00 -0.04 6.97 6.89 1o6pB1 GLN 179 HE22 0.03 0.06 0.02 -0.04 7.69 7.76 1o6pB1 GLY 180 H -0.03 0.54 -0.04 -0.55 8.43 8.35 1o6pB1 GLY 180 HA2 -0.02 0.07 0.50 -0.51 4.01 4.04 1o6pB1 GLY 180 HA3 -0.03 -0.05 0.27 -0.51 4.01 3.69 1o6pB1 MET 181 H -0.06 0.21 -0.68 -0.55 8.47 7.40 1o6pB1 MET 181 HA -0.06 0.13 0.81 -0.75 4.52 4.65 1o6pB1 MET 181 HB2 -0.10 0.04 -0.08 -0.04 2.15 1.97 1o6pB1 MET 181 HB3 -0.12 -0.03 -0.18 -0.04 2.03 1.65 1o6pB1 MET 181 HG2 -0.07 0.04 -0.03 -0.04 2.63 2.52 1o6pB1 MET 181 HG3 -0.07 -0.07 -0.35 -0.04 2.56 2.03 1o6pB1 MET 181 HE3 -0.10 0.02 -0.27 -0.04 2.10 1.70 1o6pB1 ARG 182 H -0.06 0.33 -0.01 -0.55 8.46 8.18 1o6pB1 ARG 182 HA -0.06 -0.01 0.42 -0.75 4.34 3.93 1o6pB1 ARG 182 HB2 0.05 -0.09 0.09 -0.04 1.90 1.90 1o6pB1 ARG 182 HB3 -0.01 0.12 0.16 -0.04 1.80 2.03 1o6pB1 ARG 182 HG2 0.00 0.30 0.14 -0.04 1.67 2.07 1o6pB1 ARG 182 HG3 0.02 -0.23 -0.08 -0.04 1.67 1.34 1o6pB1 ARG 182 HD2 0.09 -0.07 0.01 -0.04 3.22 3.20 1o6pB1 ARG 182 HD3 0.08 0.04 0.04 -0.04 3.22 3.35 1o6pB1 LYS 183 H -0.02 0.10 0.16 -0.55 8.42 8.11 1o6pB1 LYS 183 HA -0.02 0.14 0.29 -0.75 4.32 3.98 1o6pB1 LYS 183 HB2 0.00 -0.06 0.03 -0.04 1.87 1.80 1o6pB1 LYS 183 HB3 -0.01 0.02 0.03 -0.04 1.79 1.79 1o6pB1 LYS 183 HG2 -0.02 0.09 0.03 -0.04 1.46 1.52 1o6pB1 LYS 183 HG3 -0.02 -0.04 0.11 -0.04 1.46 1.46 1o6pB1 LYS 183 HD2 -0.01 -0.01 0.03 -0.04 1.69 1.65 1o6pB1 LYS 183 HD3 0.00 -0.04 0.01 -0.04 1.68 1.61 1o6pB1 LYS 183 HE2 -0.01 -0.03 0.00 -0.04 2.99 2.91 1o6pB1 LYS 183 HE3 -0.01 -0.01 -0.00 -0.04 2.99 2.93 1o6pB1 GLU 184 H 0.01 -0.01 -0.48 -0.55 8.60 7.57 1o6pB1 GLU 184 HA 0.00 0.01 0.33 -0.75 4.29 3.88 1o6pB1 GLU 184 HB2 0.01 0.05 -0.04 -0.04 2.09 2.07 1o6pB1 GLU 184 HB3 0.01 -0.01 0.01 -0.04 1.99 1.96 1o6pB1 GLU 184 HG2 0.02 -0.00 -0.01 -0.04 2.34 2.31 1o6pB1 GLU 184 HG3 0.01 -0.01 -0.00 -0.04 2.34 2.30 1o6pB1 GLU 185 H -0.01 0.68 -0.31 -0.55 8.60 8.42 1o6pB1 GLU 185 HA -0.01 0.01 0.42 -0.75 4.29 3.96 1o6pB1 GLU 185 HB2 -0.01 0.07 -0.02 -0.04 2.09 2.08 1o6pB1 GLU 185 HB3 -0.02 0.08 -0.11 -0.04 1.99 1.90 1o6pB1 GLU 185 HG2 -0.02 0.07 -0.07 -0.04 2.34 2.28 1o6pB1 GLU 185 HG3 -0.02 0.01 -0.24 -0.04 2.34 2.05 1o6pB1 PRO 186 HA -0.01 0.12 0.44 -0.51 4.44 4.48 1o6pB1 PRO 186 HB2 -0.00 -0.12 0.12 -0.04 2.28 2.24 1o6pB1 PRO 186 HB3 -0.00 -0.01 0.11 -0.04 2.02 2.07 1o6pB1 PRO 186 HG2 0.00 -0.01 0.13 -0.04 2.03 2.10 1o6pB1 PRO 186 HG3 -0.00 0.12 0.14 -0.04 2.03 2.25 1o6pB1 PRO 186 HD2 -0.00 -0.02 0.24 -0.04 3.68 3.85 1o6pB1 PRO 186 HD3 -0.00 0.31 0.36 -0.04 3.65 4.27 1o6pB1 SER 187 H -0.01 0.12 -0.00 -0.55 8.46 8.02 1o6pB1 SER 187 HA -0.02 0.13 0.69 -0.75 4.49 4.53 1o6pB1 SER 187 HB2 -0.03 0.09 0.14 -0.04 3.95 4.11 1o6pB1 SER 187 HB3 -0.03 0.07 0.18 -0.04 3.93 4.11 1o6pB1 ASN 188 H -0.03 0.19 0.24 -0.55 8.53 8.38 1o6pB1 ASN 188 HA -0.03 0.28 0.59 -0.75 4.76 4.85 1o6pB1 ASN 188 HB2 -0.02 -0.03 0.13 -0.04 2.88 2.91 1o6pB1 ASN 188 HB3 -0.03 -0.06 0.08 -0.04 2.79 2.75 1o6pB1 ASN 188 HD21 -0.02 0.08 0.03 -0.04 7.03 7.08 1o6pB1 ASN 188 HD22 -0.02 -0.06 0.03 -0.04 7.74 7.65 1o6pB1 ASN 189 H -0.04 0.08 -0.06 -0.55 8.53 7.97 1o6pB1 ASN 189 HA -0.04 0.11 0.47 -0.75 4.76 4.54 1o6pB1 ASN 189 HB2 -0.07 -0.02 0.10 -0.04 2.88 2.85 1o6pB1 ASN 189 HB3 -0.07 0.05 -0.03 -0.04 2.79 2.70 1o6pB1 ASN 189 HD21 -0.04 0.05 0.02 -0.04 7.03 7.02 1o6pB1 ASN 189 HD22 -0.07 0.01 0.05 -0.04 7.74 7.68 1o6pB1 VAL 190 H -0.05 0.07 -0.22 -0.55 8.24 7.50 1o6pB1 VAL 190 HA -0.04 0.02 0.45 -0.75 4.13 3.81 1o6pB1 VAL 190 HB -0.03 0.19 0.09 -0.04 2.12 2.32 1o6pB1 VAL 190 HG13 -0.03 0.04 -0.11 -0.04 0.97 0.83 1o6pB1 VAL 190 HG23 -0.04 -0.05 0.11 -0.04 0.95 0.93 1o6pB1 LYS 191 H -0.04 0.27 -0.27 -0.55 8.42 7.83 1o6pB1 LYS 191 HA -0.04 0.49 0.44 -0.75 4.32 4.46 1o6pB1 LYS 191 HB2 -0.03 0.19 0.15 -0.04 1.87 2.13 1o6pB1 LYS 191 HB3 -0.04 -0.07 0.13 -0.04 1.79 1.78 1o6pB1 LYS 191 HG2 -0.05 -0.12 0.01 -0.04 1.46 1.26 1o6pB1 LYS 191 HG3 -0.05 0.12 0.14 -0.04 1.46 1.63 1o6pB1 LYS 191 HD2 -0.03 -0.15 -0.00 -0.04 1.69 1.46 1o6pB1 LYS 191 HD3 -0.04 0.04 -0.04 -0.04 1.68 1.60 1o6pB1 LYS 191 HE2 -0.03 0.09 -0.27 -0.04 2.99 2.73 1o6pB1 LYS 191 HE3 -0.03 0.01 -0.14 -0.04 2.99 2.79 1o6pB1 LEU 192 H -0.04 0.39 -0.42 -0.55 8.37 7.76 1o6pB1 LEU 192 HA -0.04 0.02 0.43 -0.75 4.35 4.00 1o6pB1 LEU 192 HB2 -0.03 -0.07 0.08 -0.04 1.64 1.58 1o6pB1 LEU 192 HB3 -0.04 0.08 0.17 -0.04 1.64 1.82 1o6pB1 LEU 192 HG -0.04 0.04 -0.32 -0.04 1.64 1.27 1o6pB1 LEU 192 HD13 -0.04 -0.02 -0.11 -0.04 0.93 0.71 1o6pB1 LEU 192 HD23 -0.03 -0.04 -0.07 -0.04 0.89 0.72 1o6pB1 ALA 193 H -0.05 0.49 -0.16 -0.55 8.40 8.14 1o6pB1 ALA 193 HA -0.06 -0.01 0.38 -0.75 4.34 3.89 1o6pB1 ALA 193 HB3 -0.04 0.00 0.09 -0.04 1.41 1.41 1o6pB1 ALA 194 H -0.05 0.74 -0.15 -0.55 8.40 8.39 1o6pB1 ALA 194 HA -0.05 -0.03 0.32 -0.75 4.34 3.83 1o6pB1 ALA 194 HB3 -0.05 0.08 -0.12 -0.04 1.41 1.28 1o6pB1 THR 195 H -0.06 0.57 -0.24 -0.55 8.28 8.00 1o6pB1 THR 195 HA -0.07 0.00 0.34 -0.75 4.39 3.91 1o6pB1 THR 195 HB -0.05 0.03 0.07 -0.04 4.32 4.33 1o6pB1 THR 195 HG23 -0.06 -0.01 -0.24 -0.04 1.22 0.88 1o6pB1 ASN 196 H -0.07 0.50 -0.25 -0.55 8.53 8.16 1o6pB1 ASN 196 HA -0.06 0.05 0.49 -0.75 4.76 4.49 1o6pB1 ASN 196 HB2 -0.10 0.10 0.01 -0.04 2.88 2.85 1o6pB1 ASN 196 HB3 -0.10 -0.04 0.01 -0.04 2.79 2.62 1o6pB1 ASN 196 HD21 -0.05 -0.11 -0.07 -0.04 7.03 6.75 1o6pB1 ASN 196 HD22 -0.08 -0.02 -0.05 -0.04 7.74 7.54 1o6pB1 ALA 197 H -0.07 0.39 -0.37 -0.55 8.40 7.80 1o6pB1 ALA 197 HA -0.07 0.03 0.47 -0.75 4.34 4.01 1o6pB1 ALA 197 HB3 -0.05 0.07 0.04 -0.04 1.41 1.43 1o6pB1 LEU 198 H -0.07 0.53 -0.14 -0.55 8.37 8.15 1o6pB1 LEU 198 HA -0.08 -0.03 0.24 -0.75 4.35 3.72 1o6pB1 LEU 198 HB2 -0.08 0.05 0.01 -0.04 1.64 1.58 1o6pB1 LEU 198 HB3 -0.07 0.17 0.04 -0.04 1.64 1.74 1o6pB1 LEU 198 HG -0.06 -0.04 -0.21 -0.04 1.64 1.28 1o6pB1 LEU 198 HD13 -0.09 -0.02 -0.08 -0.04 0.93 0.70 1o6pB1 LEU 198 HD23 -0.08 0.00 -0.10 -0.04 0.89 0.67 1o6pB1 LEU 199 H -0.06 0.37 -0.44 -0.55 8.37 7.69 1o6pB1 LEU 199 HA -0.06 -0.04 0.25 -0.75 4.35 3.74 1o6pB1 LEU 199 HB2 -0.05 0.07 0.09 -0.04 1.64 1.70 1o6pB1 LEU 199 HB3 -0.06 0.20 0.04 -0.04 1.64 1.79 1o6pB1 LEU 199 HG -0.04 0.02 -0.15 -0.04 1.64 1.42 1o6pB1 LEU 199 HD13 -0.04 -0.02 -0.04 -0.04 0.93 0.79 1o6pB1 LEU 199 HD23 -0.03 -0.00 -0.05 -0.04 0.89 0.76 1o6pB1 ASN 200 H -0.06 0.42 -0.50 -0.55 8.53 7.84 1o6pB1 ASN 200 HA -0.04 0.14 0.71 -0.75 4.76 4.81 1o6pB1 ASN 200 HB2 -0.01 0.08 -0.02 -0.04 2.88 2.88 1o6pB1 ASN 200 HB3 0.01 0.04 -0.18 -0.04 2.79 2.63 1o6pB1 ASN 200 HD21 -0.08 -0.11 -0.04 -0.04 7.03 6.77 1o6pB1 ASN 200 HD22 -0.07 0.04 0.07 -0.04 7.74 7.74 1o6pB1 SER 201 H -0.13 0.50 -0.24 -0.55 8.46 8.04 1o6pB1 SER 201 HA -0.65 0.18 0.79 -0.75 4.49 4.05 1o6pB1 SER 201 HB2 -0.52 -0.11 0.02 -0.04 3.95 3.31 1o6pB1 SER 201 HB3 -0.10 0.07 -0.07 -0.04 3.93 3.78 1o6pB1 LEU 202 H -0.17 0.35 -0.27 -0.55 8.37 7.73 1o6pB1 LEU 202 HA -0.11 0.00 0.31 -0.75 4.35 3.80 1o6pB1 LEU 202 HB2 -0.05 0.08 -0.06 -0.04 1.64 1.56 1o6pB1 LEU 202 HB3 0.01 -0.05 -0.06 -0.04 1.64 1.49 1o6pB1 LEU 202 HG -0.08 0.23 -0.03 -0.04 1.64 1.73 1o6pB1 LEU 202 HD13 -0.05 -0.01 -0.09 -0.04 0.93 0.75 1o6pB1 LEU 202 HD23 -0.02 -0.04 -0.13 -0.04 0.89 0.66 1o6pB1 GLU 203 H -0.16 0.23 -0.41 -0.55 8.60 7.72 1o6pB1 GLU 203 HA -0.01 0.06 0.30 -0.75 4.29 3.88 1o6pB1 GLU 203 HB2 0.14 0.03 -0.04 -0.04 2.09 2.18 1o6pB1 GLU 203 HB3 0.07 -0.03 0.05 -0.04 1.99 2.04 1o6pB1 GLU 203 HG2 -0.04 0.06 -0.05 -0.04 2.34 2.27 1o6pB1 GLU 203 HG3 0.04 0.10 0.04 -0.04 2.34 2.48 1o6pB1 PHE 204 H -0.62 0.37 -0.50 -0.55 8.34 7.03 1o6pB1 PHE 204 HA 0.06 0.17 0.97 -0.75 4.62 5.07 1o6pB1 PHE 204 HB2 0.02 -0.13 0.17 -0.04 3.15 3.18 1o6pB1 PHE 204 HB3 0.02 0.10 -0.08 -0.04 3.06 3.06 1o6pB1 PHE 204 HD2 0.01 -0.08 -0.02 -0.04 7.28 7.15 1o6pB1 PHE 204 HE2 -0.00 0.07 -0.03 -0.04 7.38 7.38 1o6pB1 PHE 204 HZ -0.01 -0.00 -0.07 -0.04 7.32 7.19 1o6pB1 THR 205 H 0.02 0.53 -0.13 -0.55 8.28 8.15 1o6pB1 THR 205 HA 0.06 0.15 0.83 -0.75 4.39 4.67 1o6pB1 THR 205 HB 0.00 -0.11 0.09 -0.04 4.32 4.27 1o6pB1 THR 205 HG23 -0.17 0.05 -0.13 -0.04 1.22 0.92 1o6pB1 LYS 206 H 0.18 0.23 -0.08 -0.55 8.42 8.19 1o6pB1 LYS 206 HA 0.44 0.11 0.37 -0.75 4.32 4.48 1o6pB1 LYS 206 HB2 0.21 0.15 0.10 -0.04 1.87 2.30 1o6pB1 LYS 206 HB3 0.15 -0.03 0.07 -0.04 1.79 1.94 1o6pB1 LYS 206 HG2 0.16 -0.03 -0.26 -0.04 1.46 1.28 1o6pB1 LYS 206 HG3 0.26 0.02 0.01 -0.04 1.46 1.71 1o6pB1 LYS 206 HD2 0.05 0.07 0.02 -0.04 1.69 1.78 1o6pB1 LYS 206 HD3 0.08 0.00 -0.00 -0.04 1.68 1.73 1o6pB1 LYS 206 HE2 0.06 0.03 -0.01 -0.04 2.99 3.03 1o6pB1 LYS 206 HE3 0.09 -0.03 -0.04 -0.04 2.99 2.97 1o6pB1 ALA 207 H 0.11 0.14 -0.38 -0.55 8.40 7.73 1o6pB1 ALA 207 HA 0.07 0.11 0.38 -0.75 4.34 4.15 1o6pB1 ALA 207 HB3 0.06 0.03 0.01 -0.04 1.41 1.46 1o6pB1 ASN 208 H 0.02 0.43 -0.42 -0.55 8.53 8.02 1o6pB1 ASN 208 HA -0.07 0.07 0.65 -0.75 4.76 4.66 1o6pB1 ASN 208 HB2 -0.10 0.19 0.11 -0.04 2.88 3.04 1o6pB1 ASN 208 HB3 -0.17 -0.04 -0.00 -0.04 2.79 2.53 1o6pB1 ASN 208 HD21 -0.01 -0.02 -0.07 -0.04 7.03 6.89 1o6pB1 ASN 208 HD22 -0.05 -0.02 -0.01 -0.04 7.74 7.62 1o6pB1 PHE 209 H 0.01 0.40 -0.07 -0.55 8.34 8.12 1o6pB1 PHE 209 HA -0.38 0.03 0.47 -0.75 4.62 3.99 1o6pB1 PHE 209 HB2 -0.60 0.02 0.05 -0.04 3.15 2.58 1o6pB1 PHE 209 HB3 -0.67 0.00 -0.01 -0.04 3.06 2.34 1o6pB1 PHE 209 HD2 -0.60 0.02 -0.09 -0.04 7.28 6.57 1o6pB1 PHE 209 HE2 -0.33 -0.00 -0.08 -0.04 7.38 6.93 1o6pB1 PHE 209 HZ -0.28 -0.01 -0.11 -0.04 7.32 6.88 1o6pB1 ASP 210 H -0.04 0.10 -0.63 -0.55 8.40 7.29 1o6pB1 ASP 210 HA -0.01 0.15 0.69 -0.75 4.63 4.70 1o6pB1 ASP 210 HB2 0.07 0.08 0.08 -0.04 2.71 2.91 1o6pB1 ASP 210 HB3 0.09 -0.04 -0.07 -0.04 2.70 2.64 1o6pB1 LYS 211 H -0.06 0.21 -0.20 -0.55 8.42 7.81 1o6pB1 LYS 211 HA -0.01 0.10 0.66 -0.75 4.32 4.32 1o6pB1 LYS 211 HB2 -0.02 0.11 0.15 -0.04 1.87 2.07 1o6pB1 LYS 211 HB3 -0.06 0.03 0.26 -0.04 1.79 1.97 1o6pB1 LYS 211 HG2 -0.06 -0.32 -0.03 -0.04 1.46 1.00 1o6pB1 LYS 211 HG3 -0.03 0.07 0.08 -0.04 1.46 1.53 1o6pB1 LYS 211 HD2 -0.02 0.07 0.04 -0.04 1.69 1.74 1o6pB1 LYS 211 HD3 -0.04 0.01 0.05 -0.04 1.68 1.66 1o6pB1 LYS 211 HE2 -0.04 -0.08 0.00 -0.04 2.99 2.83 1o6pB1 LYS 211 HE3 -0.03 0.03 0.02 -0.04 2.99 2.97 1o6pB1 GLU 212 H -0.03 0.29 0.17 -0.55 8.60 8.48 1o6pB1 GLU 212 HA -0.13 0.09 0.28 -0.75 4.29 3.78 1o6pB1 GLU 212 HB2 -0.16 0.04 0.09 -0.04 2.09 2.01 1o6pB1 GLU 212 HB3 -0.03 0.08 0.15 -0.04 1.99 2.14 1o6pB1 GLU 212 HG2 -0.12 -0.05 -0.05 -0.04 2.34 2.08 1o6pB1 GLU 212 HG3 -0.41 0.00 -0.45 -0.04 2.34 1.44 1o6pB1 SER 213 H -0.11 0.06 -0.37 -0.55 8.46 7.50 1o6pB1 SER 213 HA -0.12 0.10 0.44 -0.75 4.49 4.16 1o6pB1 SER 213 HB2 -0.07 0.02 0.07 -0.04 3.95 3.93 1o6pB1 SER 213 HB3 -0.06 -0.05 0.05 -0.04 3.93 3.83 1o6pB1 GLU 214 H -0.09 0.23 -0.11 -0.55 8.60 8.08 1o6pB1 GLU 214 HA 0.02 0.07 0.57 -0.75 4.29 4.19 1o6pB1 GLU 214 HB2 -0.14 0.31 0.18 -0.04 2.09 2.40 1o6pB1 GLU 214 HB3 -0.09 -0.03 0.06 -0.04 1.99 1.89 1o6pB1 GLU 214 HG2 -0.03 -0.00 -0.02 -0.04 2.34 2.24 1o6pB1 GLU 214 HG3 -0.06 -0.08 0.08 -0.04 2.34 2.24 1o6pB1 ARG 215 H -0.18 0.62 0.03 -0.55 8.46 8.38 1o6pB1 ARG 215 HA -0.56 0.00 0.36 -0.75 4.34 3.39 1o6pB1 ARG 215 HB2 -0.30 0.15 -0.03 -0.04 1.90 1.67 1o6pB1 ARG 215 HB3 -0.03 -0.03 -0.01 -0.04 1.80 1.69 1o6pB1 ARG 215 HG2 -0.13 -0.11 -0.11 -0.04 1.67 1.28 1o6pB1 ARG 215 HG3 -0.30 -0.01 0.03 -0.04 1.67 1.35 1o6pB1 ARG 215 HD2 0.51 -0.04 -0.08 -0.04 3.22 3.56 1o6pB1 ARG 215 HD3 0.33 -0.01 -0.03 -0.04 3.22 3.47 1o6pB1 HIS 216 H 0.05 0.46 -0.42 -0.55 8.41 7.95 1o6pB1 HIS 216 HA 0.19 0.02 0.40 -0.75 4.63 4.47 1o6pB1 HIS 216 HB2 0.07 0.18 0.08 -0.04 3.26 3.55 1o6pB1 HIS 216 HB3 0.13 -0.05 -0.01 -0.04 3.20 3.22 1o6pB1 HIS 216 HD2 0.04 -0.02 -0.02 -0.04 6.97 6.93 1o6pB1 HIS 216 HE1 0.06 -0.03 -0.01 -0.04 7.75 7.73 1o6pB1 PHE 217 H 0.16 0.27 -0.37 -0.55 8.34 7.85 1o6pB1 PHE 217 HA -0.02 0.06 0.58 -0.75 4.62 4.49 1o6pB1 PHE 217 HB2 -0.03 0.08 0.13 -0.04 3.15 3.28 1o6pB1 PHE 217 HB3 -0.09 0.07 0.15 -0.04 3.06 3.15 1o6pB1 PHE 217 HD2 -0.04 -0.00 0.02 -0.04 7.28 7.22 1o6pB1 PHE 217 HE2 -0.03 0.00 -0.03 -0.04 7.38 7.28 1o6pB1 PHE 217 HZ -0.03 0.01 -0.02 -0.04 7.32 7.24 1o6pB1 ILE 218 H -0.16 0.67 0.01 -0.55 8.25 8.23 1o6pB1 ILE 218 HA -0.36 0.03 0.38 -0.75 4.18 3.47 1o6pB1 ILE 218 HB -0.51 0.07 0.12 -0.04 1.89 1.53 1o6pB1 ILE 218 HG12 -0.27 -0.03 -0.02 -0.04 1.49 1.13 1o6pB1 ILE 218 HG13 -0.26 0.10 0.01 -0.04 1.21 1.02 1o6pB1 ILE 218 HG23 -0.26 -0.01 -0.19 -0.04 0.93 0.43 1o6pB1 ILE 218 HD13 -0.56 -0.01 -0.16 -0.04 0.88 0.10 1o6pB1 MET 219 H -0.27 0.65 -0.13 -0.55 8.47 8.17 1o6pB1 MET 219 HA -0.23 -0.02 0.31 -0.75 4.52 3.83 1o6pB1 MET 219 HB2 -0.47 0.12 0.06 -0.04 2.15 1.82 1o6pB1 MET 219 HB3 -0.63 -0.08 -0.04 -0.04 2.03 1.23 1o6pB1 MET 219 HG2 -0.41 0.19 0.07 -0.04 2.63 2.43 1o6pB1 MET 219 HG3 -1.38 -0.04 -0.05 -0.04 2.56 1.06 1o6pB1 MET 219 HE3 -0.31 -0.02 -0.04 -0.04 2.10 1.70 1o6pB1 GLN 220 H -0.09 0.40 -0.41 -0.55 8.47 7.82 1o6pB1 GLN 220 HA -0.04 0.01 0.50 -0.75 4.36 4.08 1o6pB1 GLN 220 HB2 0.07 0.07 0.13 -0.04 2.15 2.38 1o6pB1 GLN 220 HB3 0.06 0.08 0.17 -0.04 2.02 2.29 1o6pB1 GLN 220 HG2 0.01 -0.05 -0.15 -0.04 2.40 2.16 1o6pB1 GLN 220 HG3 0.03 -0.02 0.03 -0.04 2.39 2.39 1o6pB1 GLN 220 HE21 0.08 -0.02 -0.02 -0.04 6.97 6.97 1o6pB1 GLN 220 HE22 0.05 -0.00 -0.01 -0.04 7.69 7.69 1o6pB1 VAL 221 H -0.27 0.64 -0.10 -0.55 8.24 7.96 1o6pB1 VAL 221 HA -0.16 -0.03 0.34 -0.75 4.13 3.52 1o6pB1 VAL 221 HB -0.37 0.13 0.18 -0.04 2.12 2.02 1o6pB1 VAL 221 HG13 -0.19 -0.00 -0.31 -0.04 0.97 0.43 1o6pB1 VAL 221 HG23 -0.65 -0.00 0.02 -0.04 0.95 0.28 1o6pB1 VAL 222 H -0.17 0.64 -0.12 -0.55 8.24 8.04 1o6pB1 VAL 222 HA -0.10 0.03 0.36 -0.75 4.13 3.66 1o6pB1 VAL 222 HB -0.12 0.04 0.09 -0.04 2.12 2.08 1o6pB1 VAL 222 HG13 -0.08 -0.02 -0.17 -0.04 0.97 0.66 1o6pB1 VAL 222 HG23 -0.10 0.01 -0.05 -0.04 0.95 0.77 1o6pB1 CYS 223 H -0.11 0.59 -0.16 -0.55 8.50 8.28 1o6pB1 CYS 223 HA -0.07 -0.04 0.32 -0.75 4.58 4.02 1o6pB1 CYS 223 HB2 -0.06 0.13 0.21 -0.04 2.97 3.21 1o6pB1 CYS 223 HB3 -0.04 -0.04 -0.02 -0.04 2.97 2.82 1o6pB1 GLU 224 H -0.06 0.75 -0.05 -0.55 8.60 8.69 1o6pB1 GLU 224 HA -0.03 -0.02 0.33 -0.75 4.29 3.81 1o6pB1 GLU 224 HB2 -0.05 0.11 0.07 -0.04 2.09 2.18 1o6pB1 GLU 224 HB3 -0.03 -0.07 0.09 -0.04 1.99 1.94 1o6pB1 GLU 224 HG2 -0.01 -0.07 0.04 -0.04 2.34 2.26 1o6pB1 GLU 224 HG3 -0.03 0.39 0.14 -0.04 2.34 2.79 1o6pB1 ALA 225 H -0.07 0.46 -0.68 -0.55 8.40 7.57 1o6pB1 ALA 225 HA -0.05 0.03 0.59 -0.75 4.34 4.16 1o6pB1 ALA 225 HB3 -0.06 0.05 0.10 -0.04 1.41 1.46 1o6pB1 THR 226 H -0.06 0.66 -0.01 -0.55 8.28 8.32 1o6pB1 THR 226 HA -0.05 0.06 0.56 -0.75 4.39 4.21 1o6pB1 THR 226 HB -0.06 -0.06 0.10 -0.04 4.32 4.26 1o6pB1 THR 226 HG23 -0.08 0.01 -0.13 -0.04 1.22 0.98 1o6pB1 GLN 227 H -0.04 0.22 -0.82 -0.55 8.47 7.29 1o6pB1 GLN 227 HA -0.03 0.13 0.66 -0.75 4.36 4.36 1o6pB1 GLN 227 HB2 -0.03 0.25 0.02 -0.04 2.15 2.35 1o6pB1 GLN 227 HB3 -0.02 -0.08 0.09 -0.04 2.02 1.96 1o6pB1 GLN 227 HG2 -0.03 0.12 -0.12 -0.04 2.40 2.32 1o6pB1 GLN 227 HG3 -0.02 -0.05 -0.05 -0.04 2.39 2.22 1o6pB1 GLN 227 HE21 -0.04 -0.03 -0.14 -0.04 6.97 6.73 1o6pB1 GLN 227 HE22 -0.04 -0.01 -0.25 -0.04 7.69 7.35 1o6pB1 CYS 228 H -0.03 0.36 -0.36 -0.55 8.50 7.92 1o6pB1 CYS 228 HA -0.02 0.12 0.41 -0.75 4.58 4.33 1o6pB1 CYS 228 HB2 -0.03 0.13 0.15 -0.04 2.97 3.18 1o6pB1 CYS 228 HB3 -0.03 -0.05 0.06 -0.04 2.97 2.91 1o6pB1 PRO 229 HA -0.02 0.11 0.41 -0.51 4.44 4.44 1o6pB1 PRO 229 HB2 -0.01 -0.04 0.06 -0.04 2.28 2.25 1o6pB1 PRO 229 HB3 -0.01 0.07 0.14 -0.04 2.02 2.18 1o6pB1 PRO 229 HG2 -0.01 -0.06 0.04 -0.04 2.03 1.96 1o6pB1 PRO 229 HG3 -0.01 0.07 0.09 -0.04 2.03 2.13 1o6pB1 PRO 229 HD2 -0.02 0.07 0.25 -0.04 3.68 3.94 1o6pB1 PRO 229 HD3 -0.02 0.25 0.23 -0.04 3.65 4.07 1o6pB1 ASP 230 H -0.02 0.11 -0.51 -0.55 8.40 7.43 1o6pB1 ASP 230 HA -0.01 0.12 0.71 -0.75 4.63 4.69 1o6pB1 ASP 230 HB2 -0.02 0.06 0.05 -0.04 2.71 2.77 1o6pB1 ASP 230 HB3 -0.02 -0.00 0.14 -0.04 2.70 2.78 1o6pB1 THR 231 H -0.01 0.25 0.11 -0.55 8.28 8.08 1o6pB1 THR 231 HA -0.02 0.17 0.22 -0.75 4.39 4.01 1o6pB1 THR 231 HB -0.01 -0.04 0.06 -0.04 4.32 4.28 1o6pB1 THR 231 HG23 -0.01 -0.00 -0.04 -0.04 1.22 1.13 1o6pB1 ARG 232 H -0.01 0.05 -0.34 -0.55 8.46 7.60 1o6pB1 ARG 232 HA -0.01 0.06 0.32 -0.75 4.34 3.95 1o6pB1 ARG 232 HB2 -0.02 -0.05 0.04 -0.04 1.90 1.84 1o6pB1 ARG 232 HB3 -0.02 0.07 -0.04 -0.04 1.80 1.77 1o6pB1 ARG 232 HG2 -0.01 0.05 -0.01 -0.04 1.67 1.66 1o6pB1 ARG 232 HG3 -0.01 -0.07 0.00 -0.04 1.67 1.56 1o6pB1 ARG 232 HD2 -0.01 0.04 -0.03 -0.04 3.22 3.18 1o6pB1 ARG 232 HD3 -0.00 0.02 -0.02 -0.04 3.22 3.17 1o6pB1 VAL 233 H -0.02 0.12 -0.09 -0.55 8.24 7.69 1o6pB1 VAL 233 HA -0.04 0.03 0.39 -0.75 4.13 3.75 1o6pB1 VAL 233 HB -0.03 0.06 0.12 -0.04 2.12 2.23 1o6pB1 VAL 233 HG13 -0.04 0.06 -0.11 -0.04 0.97 0.84 1o6pB1 VAL 233 HG23 -0.03 -0.05 0.03 -0.04 0.95 0.85 1o6pB1 ARG 234 H -0.03 0.40 -0.24 -0.55 8.46 8.04 1o6pB1 ARG 234 HA -0.04 0.19 0.44 -0.75 4.34 4.18 1o6pB1 ARG 234 HB2 -0.03 0.18 -0.04 -0.04 1.90 1.97 1o6pB1 ARG 234 HB3 -0.02 0.03 0.13 -0.04 1.80 1.89 1o6pB1 ARG 234 HG2 -0.03 -0.12 -0.26 -0.04 1.67 1.23 1o6pB1 ARG 234 HG3 -0.04 0.22 0.08 -0.04 1.67 1.89 1o6pB1 ARG 234 HD2 -0.03 0.10 -0.07 -0.04 3.22 3.18 1o6pB1 ARG 234 HD3 -0.02 -0.15 -0.03 -0.04 3.22 2.98 1o6pB1 VAL 235 H -0.02 0.69 -0.03 -0.55 8.24 8.32 1o6pB1 VAL 235 HA -0.02 0.00 0.39 -0.75 4.13 3.75 1o6pB1 VAL 235 HB -0.01 0.08 0.08 -0.04 2.12 2.23 1o6pB1 VAL 235 HG13 -0.00 -0.00 -0.12 -0.04 0.97 0.80 1o6pB1 VAL 235 HG23 -0.01 0.05 -0.07 -0.04 0.95 0.88 1o6pB1 ALA 236 H -0.03 0.56 -0.19 -0.55 8.40 8.19 1o6pB1 ALA 236 HA -0.03 0.01 0.41 -0.75 4.34 3.98 1o6pB1 ALA 236 HB3 -0.04 0.02 0.01 -0.04 1.41 1.36 1o6pB1 ALA 237 H -0.04 0.66 -0.16 -0.55 8.40 8.31 1o6pB1 ALA 237 HA -0.05 -0.02 0.39 -0.75 4.34 3.90 1o6pB1 ALA 237 HB3 -0.06 0.07 -0.06 -0.04 1.41 1.33 1o6pB1 LEU 238 H -0.04 0.58 -0.14 -0.55 8.37 8.22 1o6pB1 LEU 238 HA -0.07 -0.03 0.36 -0.75 4.35 3.87 1o6pB1 LEU 238 HB2 -0.02 0.14 0.10 -0.04 1.64 1.82 1o6pB1 LEU 238 HB3 -0.03 -0.08 -0.03 -0.04 1.64 1.46 1o6pB1 LEU 238 HG -0.05 0.31 0.08 -0.04 1.64 1.94 1o6pB1 LEU 238 HD13 -0.03 -0.02 -0.01 -0.04 0.93 0.83 1o6pB1 LEU 238 HD23 -0.09 -0.02 -0.06 -0.04 0.89 0.68 1o6pB1 GLN 239 H -0.02 0.41 -0.46 -0.55 8.47 7.85 1o6pB1 GLN 239 HA 0.01 0.00 0.38 -0.75 4.36 3.99 1o6pB1 GLN 239 HB2 -0.02 0.29 0.19 -0.04 2.15 2.57 1o6pB1 GLN 239 HB3 -0.02 -0.06 -0.00 -0.04 2.02 1.90 1o6pB1 GLN 239 HG2 0.01 -0.08 0.01 -0.04 2.40 2.30 1o6pB1 GLN 239 HG3 -0.01 0.40 0.09 -0.04 2.39 2.83 1o6pB1 GLN 239 HE21 -0.01 -0.03 -0.05 -0.04 6.97 6.85 1o6pB1 GLN 239 HE22 0.00 -0.01 -0.04 -0.04 7.69 7.61 1o6pB1 ASN 240 H -0.03 0.45 -0.25 -0.55 8.53 8.16 1o6pB1 ASN 240 HA -0.03 0.06 0.51 -0.75 4.76 4.54 1o6pB1 ASN 240 HB2 -0.04 0.20 0.16 -0.04 2.88 3.16 1o6pB1 ASN 240 HB3 -0.03 -0.09 -0.06 -0.04 2.79 2.57 1o6pB1 ASN 240 HD21 -0.06 0.24 0.01 -0.04 7.03 7.18 1o6pB1 ASN 240 HD22 -0.05 0.05 0.02 -0.04 7.74 7.71 1o6pB1 LEU 241 H -0.03 0.51 -0.09 -0.55 8.37 8.21 1o6pB1 LEU 241 HA 0.01 -0.05 0.29 -0.75 4.35 3.84 1o6pB1 LEU 241 HB2 -0.06 0.20 0.10 -0.04 1.64 1.84 1o6pB1 LEU 241 HB3 -0.06 -0.07 -0.03 -0.04 1.64 1.43 1o6pB1 LEU 241 HG -0.08 0.17 -0.02 -0.04 1.64 1.68 1o6pB1 LEU 241 HD13 -0.19 -0.02 -0.07 -0.04 0.93 0.62 1o6pB1 LEU 241 HD23 -0.08 -0.03 -0.05 -0.04 0.89 0.69 1o6pB1 VAL 242 H 0.05 0.46 -0.51 -0.55 8.24 7.68 1o6pB1 VAL 242 HA 0.14 -0.00 0.37 -0.75 4.13 3.89 1o6pB1 VAL 242 HB 0.03 0.17 0.07 -0.04 2.12 2.34 1o6pB1 VAL 242 HG13 0.00 -0.02 -0.15 -0.04 0.97 0.76 1o6pB1 VAL 242 HG23 0.11 0.10 -0.06 -0.04 0.95 1.07 1o6pB1 LYS 243 H -0.01 0.42 -0.19 -0.55 8.42 8.09 1o6pB1 LYS 243 HA -0.05 0.07 0.56 -0.75 4.32 4.15 1o6pB1 LYS 243 HB2 -0.03 0.12 0.15 -0.04 1.87 2.06 1o6pB1 LYS 243 HB3 -0.04 0.01 0.13 -0.04 1.79 1.86 1o6pB1 LYS 243 HG2 -0.06 -0.09 -0.08 -0.04 1.46 1.19 1o6pB1 LYS 243 HG3 -0.05 -0.02 0.04 -0.04 1.46 1.39 1o6pB1 LYS 243 HD2 -0.04 0.02 0.04 -0.04 1.69 1.67 1o6pB1 LYS 243 HD3 -0.05 0.05 0.06 -0.04 1.68 1.70 1o6pB1 LYS 243 HE2 -0.05 -0.10 -0.02 -0.04 2.99 2.77 1o6pB1 LYS 243 HE3 -0.04 -0.03 0.00 -0.04 2.99 2.88 1o6pB1 ILE 244 H -0.02 1.02 0.07 -0.55 8.25 8.78 1o6pB1 ILE 244 HA -0.03 0.01 0.37 -0.75 4.18 3.78 1o6pB1 ILE 244 HB 0.01 0.07 0.01 -0.04 1.89 1.93 1o6pB1 ILE 244 HG12 -0.09 -0.04 -0.07 -0.04 1.49 1.25 1o6pB1 ILE 244 HG13 -0.02 0.17 -0.09 -0.04 1.21 1.23 1o6pB1 ILE 244 HG23 -0.01 -0.02 -0.18 -0.04 0.93 0.69 1o6pB1 ILE 244 HD13 0.08 -0.02 -0.18 -0.04 0.88 0.73 1o6pB1 MET 245 H -0.01 0.55 -0.41 -0.55 8.47 8.05 1o6pB1 MET 245 HA -0.04 -0.03 0.25 -0.75 4.52 3.94 1o6pB1 MET 245 HB2 -0.13 0.06 0.08 -0.04 2.15 2.13 1o6pB1 MET 245 HB3 -0.24 0.22 0.04 -0.04 2.03 2.01 1o6pB1 MET 245 HG2 -0.83 0.03 -0.07 -0.04 2.63 1.72 1o6pB1 MET 245 HG3 -0.20 -0.00 -0.21 -0.04 2.56 2.10 1o6pB1 MET 245 HE3 -0.17 0.01 0.09 -0.04 2.10 1.99 1o6pB1 SER 246 H -0.08 0.32 -0.42 -0.55 8.46 7.73 1o6pB1 SER 246 HA -0.07 0.11 0.76 -0.75 4.49 4.54 1o6pB1 SER 246 HB2 -0.09 -0.05 0.13 -0.04 3.95 3.90 1o6pB1 SER 246 HB3 -0.09 0.03 0.09 -0.04 3.93 3.92 1o6pB1 LEU 247 H -0.12 0.33 -0.19 -0.55 8.37 7.85 1o6pB1 LEU 247 HA -0.32 0.19 0.92 -0.75 4.35 4.38 1o6pB1 LEU 247 HB2 -0.21 0.03 0.03 -0.04 1.64 1.45 1o6pB1 LEU 247 HB3 -0.82 -0.06 0.02 -0.04 1.64 0.74 1o6pB1 LEU 247 HG -0.13 0.08 -0.08 -0.04 1.64 1.46 1o6pB1 LEU 247 HD13 -0.07 -0.01 -0.18 -0.04 0.93 0.62 1o6pB1 LEU 247 HD23 -0.18 0.02 -0.07 -0.04 0.89 0.62 1o6pB1 TYR 248 H -0.05 0.71 -0.05 -0.55 8.29 8.36 1o6pB1 TYR 248 HA 0.10 0.11 0.75 -0.75 4.56 4.76 1o6pB1 TYR 248 HB2 -0.31 0.05 0.07 -0.04 3.06 2.83 1o6pB1 TYR 248 HB3 0.04 -0.06 0.10 -0.04 2.98 3.02 1o6pB1 TYR 248 HD2 -0.39 -0.01 -0.08 -0.04 7.15 6.63 1o6pB1 TYR 248 HE2 -0.24 -0.04 -0.06 -0.04 6.85 6.47 1o6pB1 TYR 249 H 0.10 0.26 -0.18 -0.55 8.29 7.92 1o6pB1 TYR 249 HA 0.04 0.08 0.45 -0.75 4.56 4.37 1o6pB1 TYR 249 HB2 -0.07 0.34 0.13 -0.04 3.06 3.42 1o6pB1 TYR 249 HB3 -0.08 -0.03 0.04 -0.04 2.98 2.87 1o6pB1 TYR 249 HD2 -0.04 0.11 -0.21 -0.04 7.15 6.98 1o6pB1 TYR 249 HE2 0.00 0.03 -0.00 -0.04 6.85 6.83 1o6pB1 GLN 250 H 0.11 0.17 -0.14 -0.55 8.47 8.06 1o6pB1 GLN 250 HA 0.12 0.10 0.39 -0.75 4.36 4.21 1o6pB1 GLN 250 HB2 -0.12 0.04 0.12 -0.04 2.15 2.15 1o6pB1 GLN 250 HB3 -0.12 0.00 0.07 -0.04 2.02 1.93 1o6pB1 GLN 250 HG2 -0.14 -0.06 -0.08 -0.04 2.40 2.08 1o6pB1 GLN 250 HG3 -1.05 0.04 -0.29 -0.04 2.39 1.06 1o6pB1 GLN 250 HE21 0.01 0.02 -0.02 -0.04 6.97 6.93 1o6pB1 GLN 250 HE22 0.03 0.02 -0.02 -0.04 7.69 7.67 1o6pB1 TYR 251 H 0.26 0.31 -0.75 -0.55 8.29 7.56 1o6pB1 TYR 251 HA 0.15 0.19 0.87 -0.75 4.56 5.02 1o6pB1 TYR 251 HB2 0.26 0.16 -0.00 -0.04 3.06 3.44 1o6pB1 TYR 251 HB3 0.28 -0.05 0.13 -0.04 2.98 3.30 1o6pB1 TYR 251 HD2 0.21 -0.06 -0.04 -0.04 7.15 7.22 1o6pB1 TYR 251 HE2 0.17 -0.00 -0.01 -0.04 6.85 6.97 1o6pB1 MET 252 H 0.09 0.52 -0.12 -0.55 8.47 8.41 1o6pB1 MET 252 HA 0.31 0.12 0.58 -0.75 4.52 4.78 1o6pB1 MET 252 HB2 -0.23 0.14 0.15 -0.04 2.15 2.17 1o6pB1 MET 252 HB3 -0.15 -0.13 0.15 -0.04 2.03 1.86 1o6pB1 MET 252 HG2 0.06 0.20 0.11 -0.04 2.63 2.96 1o6pB1 MET 252 HG3 -0.11 -0.01 0.01 -0.04 2.56 2.41 1o6pB1 MET 252 HE3 0.21 -0.02 -0.24 -0.04 2.10 2.01 1o6pB1 GLU 253 H 0.10 0.22 -0.33 -0.55 8.60 8.05 1o6pB1 GLU 253 HA 0.13 0.03 0.30 -0.75 4.29 4.00 1o6pB1 GLU 253 HB2 0.04 0.02 0.02 -0.04 2.09 2.12 1o6pB1 GLU 253 HB3 0.07 0.03 0.02 -0.04 1.99 2.08 1o6pB1 GLU 253 HG2 0.13 -0.01 0.01 -0.04 2.34 2.42 1o6pB1 GLU 253 HG3 0.08 0.01 -0.03 -0.04 2.34 2.36 1o6pB1 THR 254 H -0.11 0.19 -0.16 -0.55 8.28 7.66 1o6pB1 THR 254 HA -0.20 0.07 0.31 -0.75 4.39 3.82 1o6pB1 THR 254 HB -1.60 0.03 -0.04 -0.04 4.32 2.67 1o6pB1 THR 254 HG23 -0.53 0.00 -0.03 -0.04 1.22 0.63 1o6pB1 TYR 255 H -0.16 0.13 -0.35 -0.55 8.29 7.36 1o6pB1 TYR 255 HA -0.04 0.22 0.78 -0.75 4.56 4.77 1o6pB1 TYR 255 HB2 -0.03 0.02 0.00 -0.04 3.06 3.01 1o6pB1 TYR 255 HB3 -0.04 -0.01 -0.00 -0.04 2.98 2.88 1o6pB1 TYR 255 HD2 -0.03 0.02 -0.05 -0.04 7.15 7.05 1o6pB1 TYR 255 HE2 -0.07 0.13 -0.02 -0.04 6.85 6.86 1o6pB1 MET 256 H 0.05 0.74 0.14 -0.55 8.47 8.85 1o6pB1 MET 256 HA 0.01 -0.12 0.38 -0.75 4.52 4.03 1o6pB1 MET 256 HB2 -0.29 0.15 0.11 -0.04 2.15 2.09 1o6pB1 MET 256 HB3 -0.07 -0.00 0.12 -0.04 2.03 2.03 1o6pB1 MET 256 HG2 -1.13 -0.02 -0.06 -0.04 2.63 1.38 1o6pB1 MET 256 HG3 0.00 0.02 -0.19 -0.04 2.56 2.35 1o6pB1 MET 256 HE3 0.41 -0.03 -0.06 -0.04 2.10 2.37 1o6pB1 GLY 257 H 0.03 0.27 -0.12 -0.55 8.43 8.07 1o6pB1 GLY 257 HA2 0.04 0.01 0.34 -0.51 4.01 3.88 1o6pB1 GLY 257 HA3 0.03 0.07 0.28 -0.51 4.01 3.87 1o6pB1 PRO 258 HA 0.02 0.14 0.69 -0.51 4.44 4.78 1o6pB1 PRO 258 HB2 0.00 -0.01 0.11 -0.04 2.28 2.34 1o6pB1 PRO 258 HB3 -0.01 -0.02 0.06 -0.04 2.02 2.01 1o6pB1 PRO 258 HG2 -0.01 0.01 0.07 -0.04 2.03 2.06 1o6pB1 PRO 258 HG3 -0.05 0.06 0.09 -0.04 2.03 2.10 1o6pB1 PRO 258 HD2 -0.00 -0.07 -0.55 -0.04 3.68 3.02 1o6pB1 PRO 258 HD3 -0.01 0.06 0.01 -0.04 3.65 3.66 1o6pB1 ALA 259 H 0.07 0.44 -0.29 -0.55 8.40 8.07 1o6pB1 ALA 259 HA 0.03 0.18 0.92 -0.75 4.34 4.72 1o6pB1 ALA 259 HB3 0.05 -0.02 -0.05 -0.04 1.41 1.34 1o6pB1 LEU 260 H 0.04 0.27 -0.04 -0.55 8.37 8.09 1o6pB1 LEU 260 HA -0.14 0.02 0.35 -0.75 4.35 3.82 1o6pB1 LEU 260 HB2 0.02 -0.00 0.13 -0.04 1.64 1.74 1o6pB1 LEU 260 HB3 -0.27 0.02 -0.01 -0.04 1.64 1.33 1o6pB1 LEU 260 HG 0.05 -0.02 -0.30 -0.04 1.64 1.32 1o6pB1 LEU 260 HD13 0.03 0.01 -0.02 -0.04 0.93 0.91 1o6pB1 LEU 260 HD23 -0.08 -0.00 -0.05 -0.04 0.89 0.72 1o6pB1 PHE 261 H 0.26 0.50 -0.01 -0.55 8.34 8.53 1o6pB1 PHE 261 HA 0.48 -0.03 0.30 -0.75 4.62 4.61 1o6pB1 PHE 261 HB2 0.19 0.04 0.08 -0.04 3.15 3.41 1o6pB1 PHE 261 HB3 0.05 0.08 0.04 -0.04 3.06 3.19 1o6pB1 PHE 261 HD2 0.08 -0.01 -0.13 -0.04 7.28 7.18 1o6pB1 PHE 261 HE2 -0.35 -0.02 -0.03 -0.04 7.38 6.93 1o6pB1 PHE 261 HZ -0.79 -0.02 -0.01 -0.04 7.32 6.46 1o6pB1 ALA 262 H 0.16 0.21 -0.36 -0.55 8.40 7.86 1o6pB1 ALA 262 HA -0.06 0.01 0.41 -0.75 4.34 3.95 1o6pB1 ALA 262 HB3 0.04 0.04 0.03 -0.04 1.41 1.48 1o6pB1 ILE 263 H -0.05 0.54 -0.01 -0.55 8.25 8.18 1o6pB1 ILE 263 HA -0.07 0.02 0.39 -0.75 4.18 3.76 1o6pB1 ILE 263 HB -0.15 0.01 0.15 -0.04 1.89 1.86 1o6pB1 ILE 263 HG12 -0.06 0.00 -0.03 -0.04 1.49 1.36 1o6pB1 ILE 263 HG13 -0.04 0.11 0.03 -0.04 1.21 1.26 1o6pB1 ILE 263 HG23 -0.11 -0.01 -0.15 -0.04 0.93 0.62 1o6pB1 ILE 263 HD13 -0.07 -0.03 -0.14 -0.04 0.88 0.59 1o6pB1 THR 264 H -0.19 0.70 0.03 -0.55 8.28 8.27 1o6pB1 THR 264 HA -0.13 -0.00 0.38 -0.75 4.39 3.89 1o6pB1 THR 264 HB -0.10 0.02 0.04 -0.04 4.32 4.25 1o6pB1 THR 264 HG23 -1.39 0.02 -0.03 -0.04 1.22 -0.22 1o6pB1 ILE 265 H -0.17 0.57 -0.26 -0.55 8.25 7.84 1o6pB1 ILE 265 HA -0.20 -0.01 0.34 -0.75 4.18 3.56 1o6pB1 ILE 265 HB -0.37 0.11 0.19 -0.04 1.89 1.78 1o6pB1 ILE 265 HG12 -0.97 0.11 0.10 -0.04 1.49 0.69 1o6pB1 ILE 265 HG13 -1.66 -0.07 -0.04 -0.04 1.21 -0.60 1o6pB1 ILE 265 HG23 -0.20 -0.02 -0.18 -0.04 0.93 0.48 1o6pB1 ILE 265 HD13 -0.60 -0.02 -0.08 -0.04 0.88 0.13 1o6pB1 GLU 266 H -0.11 0.66 -0.04 -0.55 8.60 8.56 1o6pB1 GLU 266 HA -0.06 0.01 0.41 -0.75 4.29 3.89 1o6pB1 GLU 266 HB2 -0.06 0.06 0.13 -0.04 2.09 2.18 1o6pB1 GLU 266 HB3 -0.06 0.09 0.13 -0.04 1.99 2.11 1o6pB1 GLU 266 HG2 -0.03 -0.01 -0.03 -0.04 2.34 2.23 1o6pB1 GLU 266 HG3 -0.04 -0.05 -0.16 -0.04 2.34 2.05 1o6pB1 ALA 267 H -0.06 0.72 -0.15 -0.55 8.40 8.36 1o6pB1 ALA 267 HA -0.03 -0.07 0.35 -0.75 4.34 3.83 1o6pB1 ALA 267 HB3 -0.04 0.05 0.09 -0.04 1.41 1.46 1o6pB1 MET 268 H -0.02 0.57 -0.24 -0.55 8.47 8.23 1o6pB1 MET 268 HA -0.01 -0.04 0.40 -0.75 4.52 4.12 1o6pB1 MET 268 HB2 -0.04 0.26 0.10 -0.04 2.15 2.42 1o6pB1 MET 268 HB3 -0.03 -0.06 0.01 -0.04 2.03 1.91 1o6pB1 MET 268 HG2 0.07 -0.12 -0.12 -0.04 2.63 2.42 1o6pB1 MET 268 HG3 0.10 0.20 -0.03 -0.04 2.56 2.79 1o6pB1 MET 268 HE3 -0.22 0.02 -0.19 -0.04 2.10 1.67 1o6pB1 LYS 269 H -0.04 0.42 -0.66 -0.55 8.42 7.59 1o6pB1 LYS 269 HA -0.04 0.12 0.75 -0.75 4.32 4.40 1o6pB1 LYS 269 HB2 -0.03 0.11 0.09 -0.04 1.87 1.99 1o6pB1 LYS 269 HB3 -0.03 -0.12 0.03 -0.04 1.79 1.64 1o6pB1 LYS 269 HG2 -0.04 -0.03 -0.09 -0.04 1.46 1.27 1o6pB1 LYS 269 HG3 -0.05 0.26 -0.03 -0.04 1.46 1.59 1o6pB1 LYS 269 HD2 -0.04 -0.04 -0.06 -0.04 1.69 1.52 1o6pB1 LYS 269 HD3 -0.02 -0.06 -0.03 -0.04 1.68 1.52 1o6pB1 LYS 269 HE2 -0.03 0.00 -0.06 -0.04 2.99 2.86 1o6pB1 LYS 269 HE3 -0.05 0.01 -0.11 -0.04 2.99 2.80 1o6pB1 SER 270 H -0.03 0.37 -0.03 -0.55 8.46 8.23 1o6pB1 SER 270 HA -0.02 -0.05 0.36 -0.75 4.49 4.03 1o6pB1 SER 270 HB2 -0.02 0.13 0.16 -0.04 3.95 4.17 1o6pB1 SER 270 HB3 -0.02 -0.03 0.04 -0.04 3.93 3.88 1o6pB1 ASP 271 H -0.02 0.08 0.20 -0.55 8.40 8.12 1o6pB1 ASP 271 HA -0.02 0.21 0.52 -0.75 4.63 4.58 1o6pB1 ASP 271 HB2 -0.01 -0.06 0.13 -0.04 2.71 2.72 1o6pB1 ASP 271 HB3 -0.01 -0.03 0.10 -0.04 2.70 2.72 1o6pB1 ILE 272 H -0.01 0.04 -0.20 -0.55 8.25 7.53 1o6pB1 ILE 272 HA -0.01 0.07 0.49 -0.75 4.18 3.98 1o6pB1 ILE 272 HB -0.01 0.01 0.17 -0.04 1.89 2.02 1o6pB1 ILE 272 HG12 -0.01 0.04 0.03 -0.04 1.49 1.52 1o6pB1 ILE 272 HG13 -0.01 -0.04 0.09 -0.04 1.21 1.21 1o6pB1 ILE 272 HG23 -0.01 -0.05 -0.03 -0.04 0.93 0.80 1o6pB1 ILE 272 HD13 -0.01 0.02 0.04 -0.04 0.88 0.89 1o6pB1 ASP 273 H -0.01 0.26 0.28 -0.55 8.40 8.38 1o6pB1 ASP 273 HA -0.03 0.16 0.32 -0.75 4.63 4.32 1o6pB1 ASP 273 HB2 -0.01 -0.06 0.15 -0.04 2.71 2.75 1o6pB1 ASP 273 HB3 -0.03 0.01 0.05 -0.04 2.70 2.69 1o6pB1 GLU 274 H -0.00 0.04 -0.33 -0.55 8.60 7.76 1o6pB1 GLU 274 HA 0.02 0.13 0.43 -0.75 4.29 4.12 1o6pB1 GLU 274 HB2 0.01 -0.01 0.05 -0.04 2.09 2.10 1o6pB1 GLU 274 HB3 0.00 -0.02 -0.02 -0.04 1.99 1.91 1o6pB1 GLU 274 HG2 0.01 -0.01 -0.04 -0.04 2.34 2.26 1o6pB1 GLU 274 HG3 0.01 0.03 -0.12 -0.04 2.34 2.22 1o6pB1 VAL 275 H -0.01 0.34 -0.16 -0.55 8.24 7.87 1o6pB1 VAL 275 HA -0.00 0.08 0.57 -0.75 4.13 4.02 1o6pB1 VAL 275 HB -0.01 0.08 0.14 -0.04 2.12 2.29 1o6pB1 VAL 275 HG13 -0.02 0.04 -0.05 -0.04 0.97 0.90 1o6pB1 VAL 275 HG23 -0.01 -0.03 -0.01 -0.04 0.95 0.86 1o6pB1 ALA 276 H -0.02 0.40 -0.08 -0.55 8.40 8.16 1o6pB1 ALA 276 HA -0.01 0.21 0.26 -0.75 4.34 4.03 1o6pB1 ALA 276 HB3 -0.04 0.07 -0.02 -0.04 1.41 1.38 1o6pB1 LEU 277 H -0.01 0.51 -0.36 -0.55 8.37 7.97 1o6pB1 LEU 277 HA -0.02 -0.03 0.32 -0.75 4.35 3.87 1o6pB1 LEU 277 HB2 0.02 0.09 0.13 -0.04 1.64 1.84 1o6pB1 LEU 277 HB3 0.08 -0.01 -0.11 -0.04 1.64 1.57 1o6pB1 LEU 277 HG -0.07 -0.04 -0.08 -0.04 1.64 1.40 1o6pB1 LEU 277 HD13 0.07 0.01 -0.07 -0.04 0.93 0.90 1o6pB1 LEU 277 HD23 -0.10 -0.02 -0.18 -0.04 0.89 0.56 1o6pB1 GLN 278 H 0.03 0.32 -0.44 -0.55 8.47 7.84 1o6pB1 GLN 278 HA 0.07 0.02 0.38 -0.75 4.36 4.08 1o6pB1 GLN 278 HB2 0.02 0.12 0.17 -0.04 2.15 2.41 1o6pB1 GLN 278 HB3 0.01 0.00 -0.03 -0.04 2.02 1.96 1o6pB1 GLN 278 HG2 0.01 0.01 -0.14 -0.04 2.40 2.24 1o6pB1 GLN 278 HG3 0.03 0.01 -0.25 -0.04 2.39 2.14 1o6pB1 GLN 278 HE21 0.04 -0.05 -0.05 -0.04 6.97 6.86 1o6pB1 GLN 278 HE22 0.02 0.10 0.03 -0.04 7.69 7.80 1o6pB1 GLY 279 H 0.03 0.53 -0.13 -0.55 8.43 8.32 1o6pB1 GLY 279 HA2 0.07 -0.05 0.33 -0.51 4.01 3.85 1o6pB1 GLY 279 HA3 0.07 0.11 0.25 -0.51 4.01 3.93 1o6pB1 ILE 280 H 0.08 0.56 -0.27 -0.55 8.25 8.08 1o6pB1 ILE 280 HA 0.20 0.00 0.33 -0.75 4.18 3.95 1o6pB1 ILE 280 HB 0.05 0.10 0.04 -0.04 1.89 2.04 1o6pB1 ILE 280 HG12 0.02 -0.04 -0.04 -0.04 1.49 1.39 1o6pB1 ILE 280 HG13 0.01 0.24 0.04 -0.04 1.21 1.47 1o6pB1 ILE 280 HG23 0.05 -0.04 -0.34 -0.04 0.93 0.56 1o6pB1 ILE 280 HD13 -0.08 -0.03 -0.06 -0.04 0.88 0.67 1o6pB1 GLU 281 H 0.12 0.62 -0.10 -0.55 8.60 8.70 1o6pB1 GLU 281 HA 0.13 -0.03 0.31 -0.75 4.29 3.94 1o6pB1 GLU 281 HB2 0.13 0.27 0.18 -0.04 2.09 2.63 1o6pB1 GLU 281 HB3 0.09 -0.01 -0.02 -0.04 1.99 2.00 1o6pB1 GLU 281 HG2 0.20 -0.04 0.02 -0.04 2.34 2.47 1o6pB1 GLU 281 HG3 0.19 0.00 -0.01 -0.04 2.34 2.48 1o6pB1 PHE 282 H 0.21 0.48 -0.71 -0.55 8.34 7.77 1o6pB1 PHE 282 HA -0.12 0.06 0.53 -0.75 4.62 4.33 1o6pB1 PHE 282 HB2 -0.13 0.01 -0.01 -0.04 3.15 2.98 1o6pB1 PHE 282 HB3 -0.13 0.35 0.16 -0.04 3.06 3.39 1o6pB1 PHE 282 HD2 -1.07 0.05 -0.31 -0.04 7.28 5.90 1o6pB1 PHE 282 HE2 -1.19 0.00 -0.12 -0.04 7.38 6.03 1o6pB1 PHE 282 HZ -0.51 -0.07 -0.08 -0.04 7.32 6.62 1o6pB1 TRP 283 H 0.36 0.55 0.07 -0.55 7.97 8.40 1o6pB1 TRP 283 HA -0.03 -0.01 0.59 -0.75 4.62 4.41 1o6pB1 TRP 283 HB2 0.10 0.14 0.10 -0.04 3.23 3.54 1o6pB1 TRP 283 HB3 0.09 -0.06 0.12 -0.04 3.23 3.33 1o6pB1 TRP 283 HD1 0.12 0.21 -0.10 -0.04 7.22 7.40 1o6pB1 TRP 283 HE1 -0.13 -0.04 -0.15 -0.04 10.20 9.84 1o6pB1 TRP 283 HE3 0.13 -0.06 -0.01 -0.04 7.59 7.61 1o6pB1 TRP 283 HZ2 0.19 -0.03 -0.08 -0.04 7.44 7.48 1o6pB1 TRP 283 HZ3 0.25 -0.10 -0.39 -0.04 7.13 6.86 1o6pB1 TRP 283 HH2 0.36 -0.00 -0.10 -0.04 7.19 7.40 1o6pB1 SER 284 H 0.04 0.17 -0.80 -0.55 8.46 7.32 1o6pB1 SER 284 HA 0.10 0.11 0.64 -0.75 4.49 4.59 1o6pB1 SER 284 HB2 0.08 0.11 0.02 -0.04 3.95 4.11 1o6pB1 SER 284 HB3 0.08 -0.02 -0.05 -0.04 3.93 3.91 1o6pB1 ASN 285 H -0.09 0.27 -0.10 -0.55 8.53 8.07 1o6pB1 ASN 285 HA -0.06 0.06 0.50 -0.75 4.76 4.51 1o6pB1 ASN 285 HB2 -0.17 0.25 0.33 -0.04 2.88 3.24 1o6pB1 ASN 285 HB3 -0.22 -0.02 -0.03 -0.04 2.79 2.48 1o6pB1 ASN 285 HD21 -0.06 -0.07 0.02 -0.04 7.03 6.88 1o6pB1 ASN 285 HD22 -0.09 0.34 0.11 -0.04 7.74 8.05 1o6pB1 VAL 286 H -0.23 0.26 -0.36 -0.55 8.24 7.36 1o6pB1 VAL 286 HA -0.05 0.09 0.43 -0.75 4.13 3.84 1o6pB1 VAL 286 HB 0.00 0.05 0.02 -0.04 2.12 2.15 1o6pB1 VAL 286 HG13 0.25 -0.03 -0.14 -0.04 0.97 1.01 1o6pB1 VAL 286 HG23 -0.92 0.12 0.02 -0.04 0.95 0.13 1o6pB1 CYS 287 H 0.07 0.28 -0.33 -0.55 8.50 7.97 1o6pB1 CYS 287 HA 0.08 -0.09 0.23 -0.75 4.58 4.05 1o6pB1 CYS 287 HB2 0.06 0.18 0.06 -0.04 2.97 3.23 1o6pB1 CYS 287 HB3 0.06 0.08 -0.15 -0.04 2.97 2.92 1o6pB1 ASP 288 H -0.00 0.52 -0.36 -0.55 8.40 8.01 1o6pB1 ASP 288 HA -0.02 0.04 0.38 -0.75 4.63 4.28 1o6pB1 ASP 288 HB2 -0.02 0.20 0.18 -0.04 2.71 3.02 1o6pB1 ASP 288 HB3 -0.05 0.04 0.06 -0.04 2.70 2.71 1o6pB1 GLU 289 H -0.07 0.60 -0.11 -0.55 8.60 8.47 1o6pB1 GLU 289 HA -0.15 0.01 0.43 -0.75 4.29 3.82 1o6pB1 GLU 289 HB2 -0.06 0.11 0.28 -0.04 2.09 2.38 1o6pB1 GLU 289 HB3 -0.43 -0.13 0.02 -0.04 1.99 1.40 1o6pB1 GLU 289 HG2 -0.08 0.10 0.15 -0.04 2.34 2.46 1o6pB1 GLU 289 HG3 0.01 0.10 0.09 -0.04 2.34 2.50 1o6pB1 GLU 290 H -0.08 0.80 -0.09 -0.55 8.60 8.68 1o6pB1 GLU 290 HA -0.28 -0.05 0.53 -0.75 4.29 3.73 1o6pB1 GLU 290 HB2 0.01 0.18 0.04 -0.04 2.09 2.28 1o6pB1 GLU 290 HB3 -0.05 0.03 0.01 -0.04 1.99 1.94 1o6pB1 GLU 290 HG2 -0.24 -0.12 0.12 -0.04 2.34 2.07 1o6pB1 GLU 290 HG3 -0.12 0.06 0.04 -0.04 2.34 2.29 1o6pB1 MET 291 H -0.06 0.58 -0.23 -0.55 8.47 8.21 1o6pB1 MET 291 HA -0.02 0.06 0.59 -0.75 4.52 4.39 1o6pB1 MET 291 HB2 -0.02 0.13 0.19 -0.04 2.15 2.41 1o6pB1 MET 291 HB3 -0.01 -0.04 0.03 -0.04 2.03 1.96 1o6pB1 MET 291 HG2 0.01 -0.02 -0.00 -0.04 2.63 2.58 1o6pB1 MET 291 HG3 0.01 0.27 0.02 -0.04 2.56 2.82 1o6pB1 MET 291 HE3 0.01 -0.02 -0.07 -0.04 2.10 1.97 1o6pB1 ASP 292 H -0.08 0.52 -0.01 -0.55 8.40 8.28 1o6pB1 ASP 292 HA -0.05 0.06 0.52 -0.75 4.63 4.41 1o6pB1 ASP 292 HB2 -0.10 0.11 0.13 -0.04 2.71 2.80 1o6pB1 ASP 292 HB3 -0.06 -0.06 0.10 -0.04 2.70 2.63 1o6pB1 LEU 293 H -0.15 0.36 -0.30 -0.55 8.37 7.74 1o6pB1 LEU 293 HA -0.10 0.04 0.48 -0.75 4.35 4.02 1o6pB1 LEU 293 HB2 -0.24 0.11 0.20 -0.04 1.64 1.67 1o6pB1 LEU 293 HB3 -0.19 -0.10 -0.00 -0.04 1.64 1.30 1o6pB1 LEU 293 HG -0.26 0.13 0.02 -0.04 1.64 1.49 1o6pB1 LEU 293 HD13 -0.61 -0.05 -0.18 -0.04 0.93 0.05 1o6pB1 LEU 293 HD23 -0.12 -0.02 -0.18 -0.04 0.89 0.52 1o6pB1 ALA 294 H -0.07 0.47 -0.15 -0.55 8.40 8.10 1o6pB1 ALA 294 HA -0.00 -0.02 0.43 -0.75 4.34 3.99 1o6pB1 ALA 294 HB3 0.01 0.08 0.18 -0.04 1.41 1.64 1o6pB1 ILE 295 H -0.03 0.31 -0.48 -0.55 8.25 7.50 1o6pB1 ILE 295 HA -0.01 0.05 0.55 -0.75 4.18 4.02 1o6pB1 ILE 295 HB -0.03 0.16 0.25 -0.04 1.89 2.23 1o6pB1 ILE 295 HG12 -0.01 -0.03 0.06 -0.04 1.49 1.46 1o6pB1 ILE 295 HG13 -0.02 0.30 0.18 -0.04 1.21 1.63 1o6pB1 ILE 295 HG23 -0.01 -0.02 -0.05 -0.04 0.93 0.81 1o6pB1 ILE 295 HD13 -0.02 -0.02 0.03 -0.04 0.88 0.83 1o6pB1 GLU 296 H -0.03 0.74 0.18 -0.55 8.60 8.94 1o6pB1 GLU 296 HA -0.02 -0.01 0.43 -0.75 4.29 3.93 1o6pB1 GLU 296 HB2 -0.03 0.01 0.17 -0.04 2.09 2.20 1o6pB1 GLU 296 HB3 -0.04 0.07 0.24 -0.04 1.99 2.22 1o6pB1 GLU 296 HG2 -0.03 0.02 -0.11 -0.04 2.34 2.18 1o6pB1 GLU 296 HG3 -0.02 -0.03 0.13 -0.04 2.34 2.38 1o6pB1 ALA 297 H -0.02 0.58 -0.45 -0.55 8.40 7.96 1o6pB1 ALA 297 HA -0.01 0.03 0.56 -0.75 4.34 4.17 1o6pB1 ALA 297 HB3 0.00 0.00 0.11 -0.04 1.41 1.49 1o6pB1 SER 298 H -0.00 0.55 0.03 -0.55 8.46 8.49 1o6pB1 SER 298 HA 0.01 0.01 0.51 -0.75 4.49 4.26 1o6pB1 SER 298 HB2 0.01 0.18 0.28 -0.04 3.95 4.38 1o6pB1 SER 298 HB3 0.00 0.03 0.22 -0.04 3.93 4.14 1o6pB1 GLU 299 H -0.01 0.77 -0.08 -0.55 8.60 8.74 1o6pB1 GLU 299 HA -0.01 0.00 0.47 -0.75 4.29 4.00 1o6pB1 GLU 299 HB2 -0.01 0.11 0.10 -0.04 2.09 2.25 1o6pB1 GLU 299 HB3 -0.01 -0.05 0.02 -0.04 1.99 1.90 1o6pB1 GLU 299 HG2 -0.01 -0.05 0.04 -0.04 2.34 2.28 1o6pB1 GLU 299 HG3 -0.01 0.16 0.03 -0.04 2.34 2.47 1o6pB1 ALA 300 H -0.01 0.37 -0.36 -0.55 8.40 7.85 1o6pB1 ALA 300 HA -0.01 -0.03 0.45 -0.75 4.34 3.99 1o6pB1 ALA 300 HB3 -0.01 0.11 0.02 -0.04 1.41 1.49 1o6pB1 ALA 301 H -0.00 0.28 -0.62 -0.55 8.40 7.52 1o6pB1 ALA 301 HA 0.00 0.06 0.45 -0.75 4.34 4.09 1o6pB1 ALA 301 HB3 0.00 0.04 0.15 -0.04 1.41 1.57 1o6pB1 GLU 302 H -0.00 0.32 -0.06 -0.55 8.60 8.31 1o6pB1 GLU 302 HA -0.00 0.04 0.48 -0.75 4.29 4.05 1o6pB1 GLU 302 HB2 -0.00 0.11 0.17 -0.04 2.09 2.32 1o6pB1 GLU 302 HB3 -0.00 -0.05 0.05 -0.04 1.99 1.95 1o6pB1 GLU 302 HG2 -0.00 -0.04 0.07 -0.04 2.34 2.33 1o6pB1 GLU 302 HG3 -0.00 0.09 0.13 -0.04 2.34 2.52 1o6pB1 GLN 303 H -0.01 0.32 -0.18 -0.55 8.47 8.06 1o6pB1 GLN 303 HA -0.00 0.04 0.42 -0.75 4.36 4.06 1o6pB1 GLN 303 HB2 -0.01 0.04 0.07 -0.04 2.15 2.21 1o6pB1 GLN 303 HB3 -0.01 -0.05 0.14 -0.04 2.02 2.06 1o6pB1 GLN 303 HG2 -0.01 -0.06 0.01 -0.04 2.40 2.31 1o6pB1 GLN 303 HG3 -0.01 0.16 0.14 -0.04 2.39 2.64 1o6pB1 GLN 303 HE21 -0.01 -0.09 -0.13 -0.04 6.97 6.70 1o6pB1 GLN 303 HE22 -0.01 0.44 -0.33 -0.04 7.69 7.75 1o6pB1 GLY 304 H -0.00 0.26 -1.18 -0.55 8.43 6.96 1o6pB1 GLY 304 HA2 -0.00 0.05 0.28 -0.51 4.01 3.83 1o6pB1 GLY 304 HA3 -0.00 -0.08 0.29 -0.51 4.01 3.71 1o6pB1 ARG 305 H -0.01 0.37 -0.36 -0.55 8.46 7.91 1o6pB1 ARG 305 HA -0.01 0.10 0.80 -0.75 4.34 4.48 1o6pB1 ARG 305 HB2 -0.01 0.00 0.08 -0.04 1.90 1.93 1o6pB1 ARG 305 HB3 -0.01 -0.01 -0.03 -0.04 1.80 1.72 1o6pB1 ARG 305 HG2 -0.01 0.05 -0.15 -0.04 1.67 1.52 1o6pB1 ARG 305 HG3 -0.01 -0.03 -0.17 -0.04 1.67 1.42 1o6pB1 ARG 305 HD2 -0.01 -0.06 -0.02 -0.04 3.22 3.09 1o6pB1 ARG 305 HD3 -0.01 0.05 -0.00 -0.04 3.22 3.21 1o6pB1 PRO 306 HA -0.01 0.13 0.58 -0.51 4.44 4.64 1o6pB1 PRO 306 HB2 -0.01 0.10 -0.01 -0.04 2.28 2.32 1o6pB1 PRO 306 HB3 -0.01 -0.03 0.06 -0.04 2.02 2.00 1o6pB1 PRO 306 HG2 -0.02 0.03 0.07 -0.04 2.03 2.07 1o6pB1 PRO 306 HG3 -0.01 -0.02 0.06 -0.04 2.03 2.02 1o6pB1 PRO 306 HD2 -0.01 0.07 0.21 -0.04 3.68 3.90 1o6pB1 PRO 306 HD3 -0.01 0.11 0.16 -0.04 3.65 3.88 1o6pB1 PRO 307 HA -0.04 0.05 0.45 -0.51 4.44 4.39 1o6pB1 PRO 307 HB2 -0.03 0.04 -0.02 -0.04 2.28 2.22 1o6pB1 PRO 307 HB3 -0.02 0.16 0.07 -0.04 2.02 2.19 1o6pB1 PRO 307 HG2 -0.01 -0.02 -0.13 -0.04 2.03 1.82 1o6pB1 PRO 307 HG3 -0.00 -0.02 0.06 -0.04 2.03 2.03 1o6pB1 PRO 307 HD2 -0.00 0.03 0.19 -0.04 3.68 3.85 1o6pB1 PRO 307 HD3 -0.01 0.23 0.21 -0.04 3.65 4.04 1o6pB1 GLU 308 H -0.10 0.09 0.16 -0.55 8.60 8.21 1o6pB1 GLU 308 HA -0.19 0.11 0.40 -0.75 4.29 3.86 1o6pB1 GLU 308 HB2 -0.35 -0.05 0.10 -0.04 2.09 1.75 1o6pB1 GLU 308 HB3 -0.49 -0.01 0.05 -0.04 1.99 1.50 1o6pB1 GLU 308 HG2 -0.11 0.05 0.06 -0.04 2.34 2.29 1o6pB1 GLU 308 HG3 -0.09 -0.01 0.13 -0.04 2.34 2.33 1o6pB1 HIS 309 H -0.09 0.12 -0.05 -0.55 8.41 7.85 1o6pB1 HIS 309 HA -0.03 0.19 0.81 -0.75 4.63 4.84 1o6pB1 HIS 309 HB2 -0.08 -0.03 -0.04 -0.04 3.26 3.07 1o6pB1 HIS 309 HB3 -0.05 0.00 -0.01 -0.04 3.20 3.10 1o6pB1 HIS 309 HD2 -0.05 -0.00 -0.05 -0.04 6.97 6.82 1o6pB1 HIS 309 HE1 -0.01 0.00 -0.04 -0.04 7.75 7.65 1o6pB1 THR 310 H 0.07 0.19 0.10 -0.55 8.28 8.08 1o6pB1 THR 310 HA -0.03 0.18 0.96 -0.75 4.39 4.74 1o6pB1 THR 310 HB 0.02 0.10 -0.02 -0.04 4.32 4.38 1o6pB1 THR 310 HG23 0.02 0.02 -0.15 -0.04 1.22 1.06 1o6pB1 SER 311 H -0.18 0.15 0.11 -0.55 8.46 8.00 1o6pB1 SER 311 HA -0.24 0.06 0.46 -0.75 4.49 4.02 1o6pB1 SER 311 HB2 -0.41 0.08 0.12 -0.04 3.95 3.70 1o6pB1 SER 311 HB3 -0.85 0.08 0.09 -0.04 3.93 3.22 1o6pB1 LYS 312 H -0.19 0.03 0.17 -0.55 8.42 7.88 1o6pB1 LYS 312 HA -0.07 0.31 0.84 -0.75 4.32 4.64 1o6pB1 LYS 312 HB2 -1.40 -0.10 0.01 -0.04 1.87 0.34 1o6pB1 LYS 312 HB3 -0.40 0.04 0.11 -0.04 1.79 1.50 1o6pB1 LYS 312 HG2 -0.00 0.01 -0.13 -0.04 1.46 1.30 1o6pB1 LYS 312 HG3 -0.08 -0.03 -0.03 -0.04 1.46 1.27 1o6pB1 LYS 312 HD2 -0.01 -0.03 -0.03 -0.04 1.69 1.58 1o6pB1 LYS 312 HD3 -0.02 0.21 -0.27 -0.04 1.68 1.57 1o6pB1 LYS 312 HE2 0.06 0.19 -0.07 -0.04 2.99 3.13 1o6pB1 LYS 312 HE3 0.05 -0.06 -0.02 -0.04 2.99 2.92 1o6pB1 PHE 313 H -0.66 0.01 0.00 -0.55 8.34 7.14 1o6pB1 PHE 313 HA 0.04 -0.03 0.31 -0.75 4.62 4.18 1o6pB1 PHE 313 HB2 -0.01 0.20 -0.09 -0.04 3.15 3.21 1o6pB1 PHE 313 HB3 0.02 -0.04 0.09 -0.04 3.06 3.09 1o6pB1 PHE 313 HD2 -0.02 0.03 -0.27 -0.04 7.28 6.99 1o6pB1 PHE 313 HE2 -0.01 0.09 -0.07 -0.04 7.38 7.35 1o6pB1 PHE 313 HZ -0.01 0.04 -0.04 -0.04 7.32 7.27 1o6pB1 TYR 314 H -0.01 0.05 -0.17 -0.55 8.29 7.61 1o6pB1 TYR 314 HA 0.25 0.20 0.34 -0.75 4.56 4.59 1o6pB1 TYR 314 HB2 0.23 -0.05 0.00 -0.04 3.06 3.20 1o6pB1 TYR 314 HB3 0.42 0.06 -0.05 -0.04 2.98 3.37 1o6pB1 TYR 314 HD2 0.02 0.02 -0.04 -0.04 7.15 7.12 1o6pB1 TYR 314 HE2 -0.57 0.06 -0.03 -0.04 6.85 6.27 1o6pB1 ALA 315 H 0.36 0.03 -0.17 -0.55 8.40 8.07 1o6pB1 ALA 315 HA 0.49 0.12 0.33 -0.75 4.34 4.52 1o6pB1 ALA 315 HB3 0.23 0.02 -0.01 -0.04 1.41 1.61 1o6pB1 LYS 316 H 0.22 0.05 -0.25 -0.55 8.42 7.88 1o6pB1 LYS 316 HA 0.07 0.08 0.36 -0.75 4.32 4.08 1o6pB1 LYS 316 HB2 0.20 -0.09 0.06 -0.04 1.87 2.00 1o6pB1 LYS 316 HB3 0.13 0.12 -0.05 -0.04 1.79 1.95 1o6pB1 LYS 316 HG2 0.03 0.02 0.04 -0.04 1.46 1.51 1o6pB1 LYS 316 HG3 0.06 -0.01 0.05 -0.04 1.46 1.53 1o6pB1 LYS 316 HD2 0.12 0.00 -0.02 -0.04 1.69 1.75 1o6pB1 LYS 316 HD3 -0.01 0.02 -0.02 -0.04 1.68 1.62 1o6pB1 LYS 316 HE2 -0.00 -0.00 0.01 -0.04 2.99 2.95 1o6pB1 LYS 316 HE3 0.03 -0.01 0.00 -0.04 2.99 2.97 1o6pB1 GLY 317 H 0.20 0.30 -0.46 -0.55 8.43 7.92 1o6pB1 GLY 317 HA2 0.08 0.08 0.55 -0.51 4.01 4.20 1o6pB1 GLY 317 HA3 0.15 0.05 0.32 -0.51 4.01 4.02 1o6pB1 ALA 318 H 0.13 0.45 -0.27 -0.55 8.40 8.16 1o6pB1 ALA 318 HA 0.29 0.15 0.85 -0.75 4.34 4.88 1o6pB1 ALA 318 HB3 -0.15 0.01 0.06 -0.04 1.41 1.29 1o6pB1 LEU 319 H -0.02 0.31 -0.13 -0.55 8.37 7.99 1o6pB1 LEU 319 HA -0.14 -0.04 0.36 -0.75 4.35 3.78 1o6pB1 LEU 319 HB2 -0.10 0.09 0.18 -0.04 1.64 1.76 1o6pB1 LEU 319 HB3 -0.33 0.04 -0.00 -0.04 1.64 1.30 1o6pB1 LEU 319 HG -0.57 0.03 -0.02 -0.04 1.64 1.04 1o6pB1 LEU 319 HD13 -0.08 -0.03 -0.02 -0.04 0.93 0.75 1o6pB1 LEU 319 HD23 -0.10 -0.00 -0.08 -0.04 0.89 0.66 1o6pB1 GLN 320 H -0.22 0.12 -0.59 -0.55 8.47 7.23 1o6pB1 GLN 320 HA -0.22 0.08 0.38 -0.75 4.36 3.85 1o6pB1 GLN 320 HB2 -0.30 0.01 0.03 -0.04 2.15 1.84 1o6pB1 GLN 320 HB3 -1.25 0.01 -0.01 -0.04 2.02 0.73 1o6pB1 GLN 320 HG2 -0.42 -0.01 -0.03 -0.04 2.40 1.90 1o6pB1 GLN 320 HG3 -0.54 0.01 -0.10 -0.04 2.39 1.72 1o6pB1 GLN 320 HE21 -0.02 -0.00 -0.00 -0.04 6.97 6.90 1o6pB1 GLN 320 HE22 -0.07 -0.02 -0.01 -0.04 7.69 7.55 1o6pB1 TYR 321 H -0.10 0.42 -0.04 -0.55 8.29 8.02 1o6pB1 TYR 321 HA -0.01 0.19 0.83 -0.75 4.56 4.82 1o6pB1 TYR 321 HB2 0.02 0.01 0.00 -0.04 3.06 3.05 1o6pB1 TYR 321 HB3 0.02 -0.01 0.06 -0.04 2.98 3.00 1o6pB1 TYR 321 HD2 0.10 0.02 0.04 -0.04 7.15 7.28 1o6pB1 TYR 321 HE2 -0.03 0.07 0.02 -0.04 6.85 6.87 1o6pB1 LEU 322 H -0.08 0.57 -0.01 -0.55 8.37 8.31 1o6pB1 LEU 322 HA -0.18 0.07 0.43 -0.75 4.35 3.92 1o6pB1 LEU 322 HB2 -0.13 -0.01 -0.00 -0.04 1.64 1.45 1o6pB1 LEU 322 HB3 -0.11 -0.01 -0.11 -0.04 1.64 1.36 1o6pB1 LEU 322 HG -0.42 0.01 -0.12 -0.04 1.64 1.07 1o6pB1 LEU 322 HD13 -0.09 -0.00 -0.06 -0.04 0.93 0.74 1o6pB1 LEU 322 HD23 -0.76 -0.00 -0.08 -0.04 0.89 0.01 1o6pB1 VAL 323 H -0.11 0.33 -0.02 -0.55 8.24 7.90 1o6pB1 VAL 323 HA -0.08 -0.06 0.29 -0.75 4.13 3.53 1o6pB1 VAL 323 HB -0.05 0.20 0.07 -0.04 2.12 2.31 1o6pB1 VAL 323 HG13 0.00 -0.03 -0.34 -0.04 0.97 0.56 1o6pB1 VAL 323 HG23 -0.08 -0.02 0.05 -0.04 0.95 0.87 1o6pB1 PRO 324 HA -0.08 0.01 0.40 -0.51 4.44 4.26 1o6pB1 PRO 324 HB2 0.01 -0.00 -0.05 -0.04 2.28 2.19 1o6pB1 PRO 324 HB3 0.02 0.02 0.06 -0.04 2.02 2.08 1o6pB1 PRO 324 HG2 -0.01 0.17 -0.10 -0.04 2.03 2.05 1o6pB1 PRO 324 HG3 -0.01 0.10 0.05 -0.04 2.03 2.13 1o6pB1 PRO 324 HD2 -0.06 -0.04 -0.64 -0.04 3.68 2.90 1o6pB1 PRO 324 HD3 -0.01 0.16 -0.00 -0.04 3.65 3.76 1o6pB1 ILE 325 H -0.07 0.44 -0.33 -0.55 8.25 7.74 1o6pB1 ILE 325 HA -0.07 0.04 0.49 -0.75 4.18 3.89 1o6pB1 ILE 325 HB -0.09 0.11 0.15 -0.04 1.89 2.02 1o6pB1 ILE 325 HG12 -0.05 -0.06 -0.03 -0.04 1.49 1.31 1o6pB1 ILE 325 HG13 -0.04 0.11 0.05 -0.04 1.21 1.28 1o6pB1 ILE 325 HG23 -0.07 -0.02 -0.20 -0.04 0.93 0.60 1o6pB1 ILE 325 HD13 -0.09 -0.01 -0.04 -0.04 0.88 0.70 1o6pB1 LEU 326 H -0.10 0.56 -0.03 -0.55 8.37 8.26 1o6pB1 LEU 326 HA -0.10 0.01 0.38 -0.75 4.35 3.88 1o6pB1 LEU 326 HB2 -0.10 0.09 0.09 -0.04 1.64 1.68 1o6pB1 LEU 326 HB3 -0.09 -0.02 -0.10 -0.04 1.64 1.40 1o6pB1 LEU 326 HG -0.06 0.06 -0.14 -0.04 1.64 1.46 1o6pB1 LEU 326 HD13 -0.02 -0.00 -0.15 -0.04 0.93 0.72 1o6pB1 LEU 326 HD23 -0.03 -0.00 -0.03 -0.04 0.89 0.79 1o6pB1 THR 327 H -0.24 0.63 -0.04 -0.55 8.28 8.08 1o6pB1 THR 327 HA -0.41 0.00 0.33 -0.75 4.39 3.56 1o6pB1 THR 327 HB -2.11 -0.04 -0.09 -0.04 4.32 2.04 1o6pB1 THR 327 HG23 -0.30 0.01 -0.02 -0.04 1.22 0.86 1o6pB1 GLN 328 H -0.25 0.47 -0.40 -0.55 8.47 7.73 1o6pB1 GLN 328 HA -0.17 -0.02 0.40 -0.75 4.36 3.82 1o6pB1 GLN 328 HB2 -0.05 0.09 0.14 -0.04 2.15 2.28 1o6pB1 GLN 328 HB3 -0.09 0.14 0.15 -0.04 2.02 2.17 1o6pB1 GLN 328 HG2 -0.01 -0.02 0.00 -0.04 2.40 2.33 1o6pB1 GLN 328 HG3 -0.06 -0.00 -0.11 -0.04 2.39 2.17 1o6pB1 GLN 328 HE21 0.10 -0.06 0.01 -0.04 6.97 6.98 1o6pB1 GLN 328 HE22 0.11 0.06 0.01 -0.04 7.69 7.83 1o6pB1 THR 329 H -0.18 0.41 -0.49 -0.55 8.28 7.48 1o6pB1 THR 329 HA -0.13 0.04 0.53 -0.75 4.39 4.08 1o6pB1 THR 329 HB -0.13 0.21 0.18 -0.04 4.32 4.54 1o6pB1 THR 329 HG23 -0.13 -0.05 -0.25 -0.04 1.22 0.75 1o6pB1 LEU 330 H -0.20 0.43 -0.26 -0.55 8.37 7.79 1o6pB1 LEU 330 HA -0.15 -0.01 0.29 -0.75 4.35 3.73 1o6pB1 LEU 330 HB2 -0.18 0.24 0.08 -0.04 1.64 1.74 1o6pB1 LEU 330 HB3 -0.09 -0.07 0.06 -0.04 1.64 1.49 1o6pB1 LEU 330 HG -0.16 0.26 -0.05 -0.04 1.64 1.64 1o6pB1 LEU 330 HD13 -0.08 -0.01 -0.07 -0.04 0.93 0.73 1o6pB1 LEU 330 HD23 -0.10 -0.02 -0.09 -0.04 0.89 0.64 1o6pB1 THR 331 H -0.24 0.28 -0.93 -0.55 8.28 6.84 1o6pB1 THR 331 HA -0.39 0.02 0.35 -0.75 4.39 3.62 1o6pB1 THR 331 HB -0.32 0.44 0.04 -0.04 4.32 4.44 1o6pB1 THR 331 HG23 -0.31 -0.05 -0.12 -0.04 1.22 0.70 1o6pB1 LYS 332 H -0.18 0.56 -0.38 -0.55 8.42 7.87 1o6pB1 LYS 332 HA -0.11 0.06 0.55 -0.75 4.32 4.07 1o6pB1 LYS 332 HB2 -0.12 0.04 0.21 -0.04 1.87 1.97 1o6pB1 LYS 332 HB3 -0.08 -0.09 0.16 -0.04 1.79 1.74 1o6pB1 LYS 332 HG2 -0.09 -0.03 -0.01 -0.04 1.46 1.29 1o6pB1 LYS 332 HG3 -0.12 0.10 0.10 -0.04 1.46 1.50 1o6pB1 LYS 332 HD2 -0.09 -0.02 0.07 -0.04 1.69 1.61 1o6pB1 LYS 332 HD3 -0.07 -0.08 0.06 -0.04 1.68 1.56 1o6pB1 LYS 332 HE2 -0.05 -0.06 0.01 -0.04 2.99 2.84 1o6pB1 LYS 332 HE3 -0.08 0.08 -0.01 -0.04 2.99 2.95 1o6pB1 GLN 333 H -0.22 0.48 -0.39 -0.55 8.47 7.79 1o6pB1 GLN 333 HA -0.07 0.06 0.39 -0.75 4.36 3.98 1o6pB1 GLN 333 HB2 -0.42 0.09 -0.00 -0.04 2.15 1.78 1o6pB1 GLN 333 HB3 -0.26 -0.09 -0.18 -0.04 2.02 1.45 1o6pB1 GLN 333 HG2 0.02 -0.05 -0.10 -0.04 2.40 2.24 1o6pB1 GLN 333 HG3 0.01 -0.05 -0.01 -0.04 2.39 2.30 1o6pB1 GLN 333 HE21 -0.06 0.04 -0.09 -0.04 6.97 6.81 1o6pB1 GLN 333 HE22 -0.04 -0.07 -0.08 -0.04 7.69 7.46 1o6pB1 ASP 334 H 0.07 0.22 0.06 -0.55 8.40 8.19 1o6pB1 ASP 334 HA 0.09 0.08 0.75 -0.75 4.63 4.79 1o6pB1 ASP 334 HB2 0.03 0.05 0.07 -0.04 2.71 2.82 1o6pB1 ASP 334 HB3 0.07 0.12 0.05 -0.04 2.70 2.90 1o6pB1 GLU 335 H 0.20 0.22 0.12 -0.55 8.60 8.60 1o6pB1 GLU 335 HA 0.31 0.08 0.35 -0.75 4.29 4.27 1o6pB1 GLU 335 HB2 0.11 -0.08 0.12 -0.04 2.09 2.20 1o6pB1 GLU 335 HB3 0.07 0.03 -0.00 -0.04 1.99 2.05 1o6pB1 GLU 335 HG2 0.77 -0.01 0.02 -0.04 2.34 3.08 1o6pB1 GLU 335 HG3 0.29 0.09 0.11 -0.04 2.34 2.79 1o6pB1 ASN 336 H 0.05 -0.05 -0.03 -0.55 8.53 7.95 1o6pB1 ASN 336 HA -0.03 0.34 1.06 -0.75 4.76 5.38 1o6pB1 ASN 336 HB2 -0.01 0.04 0.12 -0.04 2.88 2.98 1o6pB1 ASN 336 HB3 -0.02 0.01 -0.09 -0.04 2.79 2.65 1o6pB1 ASN 336 HD21 0.01 -0.01 -0.02 -0.04 7.03 6.97 1o6pB1 ASN 336 HD22 0.00 0.03 -0.01 -0.04 7.74 7.72 1o6pB1 ASP 337 H 0.04 -0.07 -0.11 -0.55 8.40 7.71 1o6pB1 ASP 337 HA 0.01 0.36 1.02 -0.75 4.63 5.28 1o6pB1 ASP 337 HB2 0.02 0.05 -0.05 -0.04 2.71 2.69 1o6pB1 ASP 337 HB3 0.03 0.03 0.15 -0.04 2.70 2.87 1o6pB1 ASP 338 H 0.03 0.05 0.11 -0.55 8.40 8.04 1o6pB1 ASP 338 HA 0.03 -0.09 0.47 -0.75 4.63 4.29 1o6pB1 ASP 338 HB2 0.04 -0.24 0.11 -0.04 2.71 2.58 1o6pB1 ASP 338 HB3 0.03 0.03 0.16 -0.04 2.70 2.89 1o6pB1 ASP 339 H 0.03 -0.01 0.25 -0.55 8.40 8.12 1o6pB1 ASP 339 HA 0.02 0.24 0.78 -0.75 4.63 4.90 1o6pB1 ASP 339 HB2 0.01 0.08 0.09 -0.04 2.71 2.85 1o6pB1 ASP 339 HB3 0.01 -0.05 0.11 -0.04 2.70 2.73 1o6pB1 ASP 340 H 0.04 -0.28 0.16 -0.55 8.40 7.76 1o6pB1 ASP 340 HA 0.05 0.26 0.69 -0.75 4.63 4.88 1o6pB1 ASP 340 HB2 0.02 0.04 0.03 -0.04 2.71 2.77 1o6pB1 ASP 340 HB3 0.03 -0.12 0.12 -0.04 2.70 2.69 1o6pB1 ASP 341 H 0.06 -0.20 -0.01 -0.55 8.40 7.71 1o6pB1 ASP 341 HA 0.13 0.02 0.25 -0.75 4.63 4.27 1o6pB1 ASP 341 HB2 0.05 -0.10 0.11 -0.04 2.71 2.74 1o6pB1 ASP 341 HB3 0.05 0.05 -0.06 -0.04 2.70 2.70 1o6pB1 TRP 342 H 0.26 0.12 0.06 -0.55 7.97 7.86 1o6pB1 TRP 342 HA -0.02 0.21 0.85 -0.75 4.62 4.91 1o6pB1 TRP 342 HB2 -0.01 0.04 0.05 -0.04 3.23 3.27 1o6pB1 TRP 342 HB3 -0.01 -0.04 0.21 -0.04 3.23 3.35 1o6pB1 TRP 342 HD1 -0.01 -0.04 -0.07 -0.04 7.22 7.07 1o6pB1 TRP 342 HE1 -0.00 0.01 -0.08 -0.04 10.20 10.09 1o6pB1 TRP 342 HE3 -0.02 0.13 -0.06 -0.04 7.59 7.60 1o6pB1 TRP 342 HZ2 -0.01 0.00 -0.07 -0.04 7.44 7.32 1o6pB1 TRP 342 HZ3 -0.04 0.05 -0.08 -0.04 7.13 7.03 1o6pB1 TRP 342 HH2 -0.02 0.03 -0.10 -0.04 7.19 7.07 1o6pB1 ASN 343 H -0.24 0.19 -0.00 -0.55 8.53 7.93 1o6pB1 ASN 343 HA -0.12 0.23 0.78 -0.75 4.76 4.90 1o6pB1 ASN 343 HB2 -0.10 0.08 0.13 -0.04 2.88 2.96 1o6pB1 ASN 343 HB3 -0.05 -0.01 -0.06 -0.04 2.79 2.63 1o6pB1 ASN 343 HD21 -0.10 0.05 -0.00 -0.04 7.03 6.94 1o6pB1 ASN 343 HD22 -0.10 0.17 0.03 -0.04 7.74 7.80 1o6pB1 PRO 344 HA -0.23 0.07 0.36 -0.51 4.44 4.13 1o6pB1 PRO 344 HB2 -0.12 0.08 0.08 -0.04 2.28 2.28 1o6pB1 PRO 344 HB3 -0.11 0.13 0.03 -0.04 2.02 2.03 1o6pB1 PRO 344 HG2 -0.07 0.07 0.11 -0.04 2.03 2.10 1o6pB1 PRO 344 HG3 -0.09 0.11 0.09 -0.04 2.03 2.11 1o6pB1 PRO 344 HD2 -0.10 0.12 0.22 -0.04 3.68 3.88 1o6pB1 PRO 344 HD3 -0.09 0.11 0.21 -0.04 3.65 3.83 1o6pB1 CYS 345 H -0.18 0.14 -0.24 -0.55 8.50 7.66 1o6pB1 CYS 345 HA -0.18 0.13 0.18 -0.75 4.58 3.96 1o6pB1 CYS 345 HB2 -0.14 0.33 0.00 -0.04 2.97 3.12 1o6pB1 CYS 345 HB3 -0.15 -0.16 0.01 -0.04 2.97 2.62 1o6pB1 LYS 346 H -0.33 0.02 -0.19 -0.55 8.42 7.37 1o6pB1 LYS 346 HA -0.27 0.07 0.34 -0.75 4.32 3.70 1o6pB1 LYS 346 HB2 -0.50 -0.25 0.19 -0.04 1.87 1.27 1o6pB1 LYS 346 HB3 -1.39 0.03 -0.06 -0.04 1.79 0.33 1o6pB1 LYS 346 HG2 0.13 0.28 0.05 -0.04 1.46 1.88 1o6pB1 LYS 346 HG3 0.01 -0.01 0.02 -0.04 1.46 1.44 1o6pB1 LYS 346 HD2 -0.11 -0.03 -0.05 -0.04 1.69 1.46 1o6pB1 LYS 346 HD3 -0.11 -0.16 -0.02 -0.04 1.68 1.36 1o6pB1 LYS 346 HE2 0.01 0.04 -0.06 -0.04 2.99 2.94 1o6pB1 LYS 346 HE3 -0.02 -0.04 -0.06 -0.04 2.99 2.83 1o6pB1 ALA 347 H -0.85 0.48 -0.28 -0.55 8.40 7.21 1o6pB1 ALA 347 HA -0.56 0.01 0.33 -0.75 4.34 3.36 1o6pB1 ALA 347 HB3 -0.42 0.02 0.01 -0.04 1.41 0.98 1o6pB1 ALA 348 H -0.23 0.92 0.01 -0.55 8.40 8.55 1o6pB1 ALA 348 HA -0.07 -0.05 0.33 -0.75 4.34 3.80 1o6pB1 ALA 348 HB3 -0.13 0.03 0.05 -0.04 1.41 1.32 1o6pB1 GLY 349 H -0.14 0.58 -0.19 -0.55 8.43 8.14 1o6pB1 GLY 349 HA2 -0.02 -0.02 0.30 -0.51 4.01 3.76 1o6pB1 GLY 349 HA3 -0.06 0.09 0.23 -0.51 4.01 3.77 1o6pB1 VAL 350 H -0.03 0.53 -0.16 -0.55 8.24 8.03 1o6pB1 VAL 350 HA 0.10 0.04 0.41 -0.75 4.13 3.92 1o6pB1 VAL 350 HB 0.21 0.08 0.10 -0.04 2.12 2.47 1o6pB1 VAL 350 HG13 0.17 -0.02 -0.07 -0.04 0.97 1.01 1o6pB1 VAL 350 HG23 0.32 0.08 0.04 -0.04 0.95 1.36 1o6pB1 CYS 351 H 0.03 0.66 -0.19 -0.55 8.50 8.45 1o6pB1 CYS 351 HA 0.09 -0.04 0.34 -0.75 4.58 4.22 1o6pB1 CYS 351 HB2 0.06 0.02 -0.04 -0.04 2.97 2.97 1o6pB1 CYS 351 HB3 0.02 0.17 0.14 -0.04 2.97 3.27 1o6pB1 LEU 352 H 0.02 0.83 -0.03 -0.55 8.37 8.65 1o6pB1 LEU 352 HA 0.02 -0.08 0.34 -0.75 4.35 3.87 1o6pB1 LEU 352 HB2 -0.00 0.14 0.07 -0.04 1.64 1.80 1o6pB1 LEU 352 HB3 0.03 0.06 -0.07 -0.04 1.64 1.62 1o6pB1 LEU 352 HG -0.04 -0.07 -0.06 -0.04 1.64 1.43 1o6pB1 LEU 352 HD13 -0.03 0.00 -0.10 -0.04 0.93 0.77 1o6pB1 LEU 352 HD23 -0.00 -0.01 -0.06 -0.04 0.89 0.77 1o6pB1 MET 353 H 0.07 0.55 -0.23 -0.55 8.47 8.31 1o6pB1 MET 353 HA 0.07 0.17 0.40 -0.75 4.52 4.40 1o6pB1 MET 353 HB2 0.10 0.15 0.17 -0.04 2.15 2.53 1o6pB1 MET 353 HB3 0.10 -0.04 0.07 -0.04 2.03 2.12 1o6pB1 MET 353 HG2 0.17 0.05 0.15 -0.04 2.63 2.97 1o6pB1 MET 353 HG3 0.16 0.16 0.09 -0.04 2.56 2.93 1o6pB1 MET 353 HE3 0.11 -0.02 -0.11 -0.04 2.10 2.04 1o6pB1 LEU 354 H 0.07 0.43 -0.29 -0.55 8.37 8.03 1o6pB1 LEU 354 HA 0.05 0.03 0.46 -0.75 4.35 4.14 1o6pB1 LEU 354 HB2 0.07 0.20 0.24 -0.04 1.64 2.12 1o6pB1 LEU 354 HB3 0.06 -0.15 -0.03 -0.04 1.64 1.48 1o6pB1 LEU 354 HG 0.07 0.10 0.01 -0.04 1.64 1.78 1o6pB1 LEU 354 HD13 0.06 -0.02 0.01 -0.04 0.93 0.94 1o6pB1 LEU 354 HD23 0.04 -0.02 -0.04 -0.04 0.89 0.83 1o6pB1 LEU 355 H 0.06 0.67 0.02 -0.55 8.37 8.57 1o6pB1 LEU 355 HA 0.07 -0.13 0.35 -0.75 4.35 3.89 1o6pB1 LEU 355 HB2 0.04 0.13 0.15 -0.04 1.64 1.92 1o6pB1 LEU 355 HB3 0.02 -0.01 -0.10 -0.04 1.64 1.51 1o6pB1 LEU 355 HG 0.09 0.06 -0.01 -0.04 1.64 1.73 1o6pB1 LEU 355 HD13 -0.01 -0.01 -0.08 -0.04 0.93 0.78 1o6pB1 LEU 355 HD23 0.07 -0.03 -0.01 -0.04 0.89 0.88 1o6pB1 ALA 356 H 0.03 0.64 -0.37 -0.55 8.40 8.16 1o6pB1 ALA 356 HA 0.01 -0.08 0.25 -0.75 4.34 3.77 1o6pB1 ALA 356 HB3 0.01 0.06 0.04 -0.04 1.41 1.48 1o6pB1 THR 357 H 0.03 0.59 0.11 -0.55 8.28 8.46 1o6pB1 THR 357 HA 0.02 -0.03 0.39 -0.75 4.39 4.02 1o6pB1 THR 357 HB 0.02 -0.12 0.09 -0.04 4.32 4.27 1o6pB1 THR 357 HG23 0.03 0.03 0.07 -0.04 1.22 1.31 1o6pB1 CYS 358 H 0.04 0.28 -1.04 -0.55 8.50 7.23 1o6pB1 CYS 358 HA 0.05 0.05 0.67 -0.75 4.58 4.60 1o6pB1 CYS 358 HB2 0.06 0.32 0.06 -0.04 2.97 3.37 1o6pB1 CYS 358 HB3 0.07 -0.13 0.17 -0.04 2.97 3.05 1o6pB1 CYS 359 H 0.05 0.60 0.15 -0.55 8.50 8.75 1o6pB1 CYS 359 HA 0.06 -0.02 0.42 -0.75 4.58 4.28 1o6pB1 CYS 359 HB2 0.01 0.08 -0.02 -0.04 2.97 3.01 1o6pB1 CYS 359 HB3 0.02 -0.09 0.09 -0.04 2.97 2.95 1o6pB1 GLU 360 H 0.03 0.44 -1.18 -0.55 8.60 7.35 1o6pB1 GLU 360 HA 0.01 0.20 0.06 -0.75 4.29 3.81 1o6pB1 GLU 360 HB2 0.02 -0.22 0.03 -0.04 2.09 1.88 1o6pB1 GLU 360 HB3 0.01 0.02 -0.07 -0.04 1.99 1.90 1o6pB1 GLU 360 HG2 0.02 0.10 0.01 -0.04 2.34 2.43 1o6pB1 GLU 360 HG3 0.03 0.27 0.02 -0.04 2.34 2.62 1o6pB1 ASP 361 H 0.01 0.06 0.07 -0.55 8.40 7.99 1o6pB1 ASP 361 HA 0.00 0.11 0.74 -0.75 4.63 4.72 1o6pB1 ASP 361 HB2 0.01 -0.01 0.15 -0.04 2.71 2.82 1o6pB1 ASP 361 HB3 0.01 0.01 0.02 -0.04 2.70 2.69 1o6pB1 ASP 362 H 0.03 0.14 0.07 -0.55 8.40 8.09 1o6pB1 ASP 362 HA 0.07 0.04 0.38 -0.75 4.63 4.37 1o6pB1 ASP 362 HB2 0.03 0.07 0.11 -0.04 2.71 2.88 1o6pB1 ASP 362 HB3 0.09 -0.01 0.16 -0.04 2.70 2.91 1o6pB1 ILE 363 H 0.03 0.24 -1.05 -0.55 8.25 6.91 1o6pB1 ILE 363 HA 0.03 0.07 0.50 -0.75 4.18 4.03 1o6pB1 ILE 363 HB 0.01 0.08 -0.19 -0.04 1.89 1.75 1o6pB1 ILE 363 HG12 0.00 0.06 -0.15 -0.04 1.49 1.36 1o6pB1 ILE 363 HG13 0.01 -0.08 -0.24 -0.04 1.21 0.86 1o6pB1 ILE 363 HG23 -0.00 0.08 -0.01 -0.04 0.93 0.96 1o6pB1 ILE 363 HD13 -0.01 -0.02 -0.11 -0.04 0.88 0.70 1o6pB1 VAL 364 H 0.02 0.31 0.07 -0.55 8.24 8.09 1o6pB1 VAL 364 HA 0.01 -0.01 0.31 -0.75 4.13 3.68 1o6pB1 VAL 364 HB 0.00 0.09 0.16 -0.04 2.12 2.34 1o6pB1 VAL 364 HG13 -0.00 -0.01 -0.11 -0.04 0.97 0.81 1o6pB1 VAL 364 HG23 -0.04 0.03 0.09 -0.04 0.95 0.99 1o6pB1 PRO 365 HA -0.02 0.03 0.40 -0.51 4.44 4.33 1o6pB1 PRO 365 HB2 -0.16 0.03 -0.02 -0.04 2.28 2.10 1o6pB1 PRO 365 HB3 -0.04 -0.01 0.08 -0.04 2.02 2.00 1o6pB1 PRO 365 HG2 0.07 0.17 -0.15 -0.04 2.03 2.07 1o6pB1 PRO 365 HG3 0.01 -0.00 -0.02 -0.04 2.03 1.97 1o6pB1 PRO 365 HD2 0.05 0.15 -0.15 -0.04 3.68 3.70 1o6pB1 PRO 365 HD3 0.01 0.10 0.09 -0.04 3.65 3.81 1o6pB1 HIS 366 H 0.14 0.40 -0.63 -0.55 8.41 7.78 1o6pB1 HIS 366 HA -0.00 0.13 0.79 -0.75 4.63 4.80 1o6pB1 HIS 366 HB2 -0.02 0.17 0.10 -0.04 3.26 3.48 1o6pB1 HIS 366 HB3 -0.03 -0.05 0.01 -0.04 3.20 3.09 1o6pB1 HIS 366 HD2 -0.07 0.02 -0.01 -0.04 6.97 6.86 1o6pB1 HIS 366 HE1 -0.03 -0.06 -0.03 -0.04 7.75 7.59 1o6pB1 VAL 367 H 0.09 0.34 0.06 -0.55 8.24 8.18 1o6pB1 VAL 367 HA 0.09 0.06 0.56 -0.75 4.13 4.09 1o6pB1 VAL 367 HB 0.04 0.06 0.06 -0.04 2.12 2.24 1o6pB1 VAL 367 HG13 0.09 -0.00 -0.27 -0.04 0.97 0.75 1o6pB1 VAL 367 HG23 0.02 0.01 -0.08 -0.04 0.95 0.86 1o6pB1 LEU 368 H 0.07 0.66 0.08 -0.55 8.37 8.63 1o6pB1 LEU 368 HA 0.14 -0.02 0.31 -0.75 4.35 4.03 1o6pB1 LEU 368 HB2 0.04 0.13 0.05 -0.04 1.64 1.82 1o6pB1 LEU 368 HB3 0.05 -0.03 -0.10 -0.04 1.64 1.52 1o6pB1 LEU 368 HG 0.07 0.03 -0.01 -0.04 1.64 1.68 1o6pB1 LEU 368 HD13 0.04 -0.01 -0.07 -0.04 0.93 0.86 1o6pB1 LEU 368 HD23 0.15 -0.01 -0.02 -0.04 0.89 0.97 1o6pB1 PRO 369 HA 0.03 -0.03 0.31 -0.51 4.44 4.24 1o6pB1 PRO 369 HB2 0.07 0.08 -0.09 -0.04 2.28 2.31 1o6pB1 PRO 369 HB3 0.02 -0.02 0.04 -0.04 2.02 2.01 1o6pB1 PRO 369 HG2 -0.00 0.14 0.01 -0.04 2.03 2.13 1o6pB1 PRO 369 HG3 0.00 -0.03 0.02 -0.04 2.03 1.98 1o6pB1 PRO 369 HD2 0.08 0.26 -0.85 -0.04 3.68 3.13 1o6pB1 PRO 369 HD3 0.03 0.09 -0.22 -0.04 3.65 3.51 1o6pB1 PHE 370 H 0.24 0.42 -0.46 -0.55 8.34 8.00 1o6pB1 PHE 370 HA 0.09 0.04 0.49 -0.75 4.62 4.49 1o6pB1 PHE 370 HB2 0.08 -0.01 0.01 -0.04 3.15 3.19 1o6pB1 PHE 370 HB3 0.08 0.17 0.08 -0.04 3.06 3.35 1o6pB1 PHE 370 HD2 0.13 0.02 -0.21 -0.04 7.28 7.18 1o6pB1 PHE 370 HE2 -0.04 -0.05 -0.30 -0.04 7.38 6.94 1o6pB1 PHE 370 HZ -0.29 -0.03 -0.14 -0.04 7.32 6.82 1o6pB1 ILE 371 H 0.27 0.43 -0.02 -0.55 8.25 8.38 1o6pB1 ILE 371 HA 0.16 -0.04 0.34 -0.75 4.18 3.89 1o6pB1 ILE 371 HB 0.18 0.03 0.11 -0.04 1.89 2.16 1o6pB1 ILE 371 HG12 0.32 0.01 -0.02 -0.04 1.49 1.76 1o6pB1 ILE 371 HG13 0.26 0.21 -0.14 -0.04 1.21 1.51 1o6pB1 ILE 371 HG23 0.18 0.01 -0.13 -0.04 0.93 0.94 1o6pB1 ILE 371 HD13 0.36 -0.01 -0.17 -0.04 0.88 1.01 1o6pB1 LYS 372 H 0.05 0.67 -0.10 -0.55 8.42 8.49 1o6pB1 LYS 372 HA -0.01 0.01 0.32 -0.75 4.32 3.89 1o6pB1 LYS 372 HB2 -0.03 -0.01 0.11 -0.04 1.87 1.90 1o6pB1 LYS 372 HB3 -0.03 -0.02 -0.02 -0.04 1.79 1.67 1o6pB1 LYS 372 HG2 0.04 0.08 -0.05 -0.04 1.46 1.49 1o6pB1 LYS 372 HG3 0.01 -0.04 -0.14 -0.04 1.46 1.26 1o6pB1 LYS 372 HD2 -0.00 -0.02 -0.04 -0.04 1.69 1.58 1o6pB1 LYS 372 HD3 0.01 0.00 -0.04 -0.04 1.68 1.61 1o6pB1 LYS 372 HE2 0.04 0.01 -0.07 -0.04 2.99 2.93 1o6pB1 LYS 372 HE3 0.02 -0.01 -0.08 -0.04 2.99 2.87 1o6pB1 GLU 373 H -0.11 0.36 -0.07 -0.55 8.60 8.23 1o6pB1 GLU 373 HA -0.19 -0.04 0.26 -0.75 4.29 3.57 1o6pB1 GLU 373 HB2 -0.19 -0.04 0.14 -0.04 2.09 1.96 1o6pB1 GLU 373 HB3 -0.39 0.16 0.10 -0.04 1.99 1.81 1o6pB1 GLU 373 HG2 -0.92 0.00 -0.01 -0.04 2.34 1.37 1o6pB1 GLU 373 HG3 -0.29 -0.06 0.11 -0.04 2.34 2.06 1o6pB1 HIS 374 H -0.14 0.30 -0.89 -0.55 8.41 7.13 1o6pB1 HIS 374 HA -0.11 0.17 0.96 -0.75 4.63 4.90 1o6pB1 HIS 374 HB2 -0.51 0.15 -0.06 -0.04 3.26 2.80 1o6pB1 HIS 374 HB3 -0.15 -0.11 -0.15 -0.04 3.20 2.75 1o6pB1 HIS 374 HD2 -0.10 -0.07 0.03 -0.04 6.97 6.78 1o6pB1 HIS 374 HE1 0.05 -0.03 -0.06 -0.04 7.75 7.67 1o6pB1 ILE 375 H -0.02 0.77 0.24 -0.55 8.25 8.70 1o6pB1 ILE 375 HA 0.03 0.01 0.37 -0.75 4.18 3.84 1o6pB1 ILE 375 HB -0.00 0.10 0.10 -0.04 1.89 2.05 1o6pB1 ILE 375 HG12 -0.02 -0.04 -0.04 -0.04 1.49 1.34 1o6pB1 ILE 375 HG13 0.00 -0.00 0.07 -0.04 1.21 1.24 1o6pB1 ILE 375 HG23 -0.03 0.04 -0.05 -0.04 0.93 0.84 1o6pB1 ILE 375 HD13 -0.10 -0.01 -0.10 -0.04 0.88 0.63 1o6pB1 LYS 376 H -0.01 0.16 -0.71 -0.55 8.42 7.30 1o6pB1 LYS 376 HA 0.01 0.15 0.80 -0.75 4.32 4.52 1o6pB1 LYS 376 HB2 -0.02 0.02 0.07 -0.04 1.87 1.89 1o6pB1 LYS 376 HB3 -0.01 -0.04 0.08 -0.04 1.79 1.78 1o6pB1 LYS 376 HG2 -0.01 0.02 -0.06 -0.04 1.46 1.38 1o6pB1 LYS 376 HG3 -0.01 -0.02 -0.27 -0.04 1.46 1.12 1o6pB1 LYS 376 HD2 -0.02 0.01 -0.03 -0.04 1.69 1.61 1o6pB1 LYS 376 HD3 -0.01 -0.03 -0.02 -0.04 1.68 1.58 1o6pB1 LYS 376 HE2 -0.02 -0.02 -0.02 -0.04 2.99 2.90 1o6pB1 LYS 376 HE3 -0.02 0.02 -0.04 -0.04 2.99 2.90 1o6pB1 ASN 377 H 0.04 0.26 -0.13 -0.55 8.53 8.16 1o6pB1 ASN 377 HA 0.01 0.23 1.01 -0.75 4.76 5.25 1o6pB1 ASN 377 HB2 0.10 0.22 -0.01 -0.04 2.88 3.14 1o6pB1 ASN 377 HB3 0.06 -0.07 -0.02 -0.04 2.79 2.72 1o6pB1 ASN 377 HD21 -0.07 -0.08 0.09 -0.04 7.03 6.93 1o6pB1 ASN 377 HD22 0.04 0.19 0.09 -0.04 7.74 8.02 1o6pB1 PRO 378 HA 0.04 0.09 0.41 -0.51 4.44 4.46 1o6pB1 PRO 378 HB2 -0.00 -0.04 0.09 -0.04 2.28 2.28 1o6pB1 PRO 378 HB3 0.01 0.03 0.10 -0.04 2.02 2.12 1o6pB1 PRO 378 HG2 -0.02 0.03 0.11 -0.04 2.03 2.11 1o6pB1 PRO 378 HG3 -0.01 0.07 0.09 -0.04 2.03 2.14 1o6pB1 PRO 378 HD2 -0.05 0.02 0.22 -0.04 3.68 3.83 1o6pB1 PRO 378 HD3 -0.02 0.26 0.27 -0.04 3.65 4.11 1o6pB1 ASP 379 H -0.03 0.12 -0.11 -0.55 8.40 7.83 1o6pB1 ASP 379 HA 0.11 0.04 0.46 -0.75 4.63 4.48 1o6pB1 ASP 379 HB2 -0.12 0.08 0.14 -0.04 2.71 2.78 1o6pB1 ASP 379 HB3 -0.06 -0.08 0.15 -0.04 2.70 2.68 1o6pB1 TRP 380 H 0.44 0.18 0.26 -0.55 7.97 8.30 1o6pB1 TRP 380 HA 0.04 0.17 0.36 -0.75 4.62 4.44 1o6pB1 TRP 380 HB2 0.03 -0.04 0.10 -0.04 3.23 3.28 1o6pB1 TRP 380 HB3 0.03 0.08 0.19 -0.04 3.23 3.48 1o6pB1 TRP 380 HD1 0.03 0.02 0.14 -0.04 7.22 7.37 1o6pB1 TRP 380 HE1 0.03 0.02 0.03 -0.04 10.20 10.24 1o6pB1 TRP 380 HE3 0.03 -0.07 -0.13 -0.04 7.59 7.38 1o6pB1 TRP 380 HZ2 0.01 -0.03 -0.06 -0.04 7.44 7.32 1o6pB1 TRP 380 HZ3 0.01 0.02 -0.09 -0.04 7.13 7.02 1o6pB1 TRP 380 HH2 -0.00 0.04 -0.41 -0.04 7.19 6.78 1o6pB1 ARG 381 H -0.87 0.03 -0.30 -0.55 8.46 6.77 1o6pB1 ARG 381 HA -1.06 0.09 0.41 -0.75 4.34 3.03 1o6pB1 ARG 381 HB2 -0.26 -0.10 0.13 -0.04 1.90 1.63 1o6pB1 ARG 381 HB3 -0.51 0.20 0.11 -0.04 1.80 1.55 1o6pB1 ARG 381 HG2 -1.56 -0.00 0.04 -0.04 1.67 0.10 1o6pB1 ARG 381 HG3 -1.29 -0.12 0.07 -0.04 1.67 0.29 1o6pB1 ARG 381 HD2 -0.15 -0.05 0.08 -0.04 3.22 3.05 1o6pB1 ARG 381 HD3 -0.28 0.37 0.18 -0.04 3.22 3.45 1o6pB1 TYR 382 H 0.20 0.08 -0.07 -0.55 8.29 7.95 1o6pB1 TYR 382 HA -0.18 0.06 0.36 -0.75 4.56 4.05 1o6pB1 TYR 382 HB2 -0.16 0.03 0.10 -0.04 3.06 2.99 1o6pB1 TYR 382 HB3 -0.45 0.09 -0.01 -0.04 2.98 2.57 1o6pB1 TYR 382 HD2 -0.89 -0.05 0.04 -0.04 7.15 6.20 1o6pB1 TYR 382 HE2 -0.13 0.01 0.01 -0.04 6.85 6.71 1o6pB1 ARG 383 H 0.05 0.46 -0.28 -0.55 8.46 8.14 1o6pB1 ARG 383 HA 0.07 0.22 0.33 -0.75 4.34 4.20 1o6pB1 ARG 383 HB2 0.09 0.16 0.02 -0.04 1.90 2.12 1o6pB1 ARG 383 HB3 0.12 -0.04 0.04 -0.04 1.80 1.89 1o6pB1 ARG 383 HG2 0.07 -0.01 0.07 -0.04 1.67 1.76 1o6pB1 ARG 383 HG3 0.06 -0.01 0.04 -0.04 1.67 1.71 1o6pB1 ARG 383 HD2 0.11 -0.11 0.01 -0.04 3.22 3.19 1o6pB1 ARG 383 HD3 0.06 -0.01 0.04 -0.04 3.22 3.28 1o6pB1 ASP 384 H 0.01 0.46 -0.31 -0.55 8.40 8.01 1o6pB1 ASP 384 HA 0.11 0.03 0.47 -0.75 4.63 4.49 1o6pB1 ASP 384 HB2 0.16 -0.01 0.10 -0.04 2.71 2.92 1o6pB1 ASP 384 HB3 -0.06 0.13 0.13 -0.04 2.70 2.85 1o6pB1 ALA 385 H -0.04 0.64 -0.06 -0.55 8.40 8.39 1o6pB1 ALA 385 HA 0.03 0.00 0.33 -0.75 4.34 3.95 1o6pB1 ALA 385 HB3 0.03 0.04 -0.06 -0.04 1.41 1.38 1o6pB1 ALA 386 H 0.13 0.74 -0.14 -0.55 8.40 8.59 1o6pB1 ALA 386 HA 0.38 -0.05 0.24 -0.75 4.34 4.15 1o6pB1 ALA 386 HB3 0.06 0.05 -0.02 -0.04 1.41 1.46 1o6pB1 VAL 387 H 0.12 0.44 -0.33 -0.55 8.24 7.92 1o6pB1 VAL 387 HA 0.13 0.01 0.37 -0.75 4.13 3.88 1o6pB1 VAL 387 HB 0.14 0.05 0.07 -0.04 2.12 2.34 1o6pB1 VAL 387 HG13 0.12 -0.02 -0.08 -0.04 0.97 0.95 1o6pB1 VAL 387 HG23 0.07 0.14 0.11 -0.04 0.95 1.22 1o6pB1 MET 388 H 0.17 0.63 -0.26 -0.55 8.47 8.46 1o6pB1 MET 388 HA 0.33 -0.01 0.41 -0.75 4.52 4.49 1o6pB1 MET 388 HB2 0.10 0.08 0.08 -0.04 2.15 2.37 1o6pB1 MET 388 HB3 0.10 0.12 0.26 -0.04 2.03 2.47 1o6pB1 MET 388 HG2 0.00 -0.04 -0.05 -0.04 2.63 2.50 1o6pB1 MET 388 HG3 0.10 -0.04 -0.22 -0.04 2.56 2.36 1o6pB1 MET 388 HE3 -0.03 -0.01 -0.05 -0.04 2.10 1.98 1o6pB1 ALA 389 H 0.17 0.86 0.06 -0.55 8.40 8.95 1o6pB1 ALA 389 HA 0.09 -0.03 0.31 -0.75 4.34 3.96 1o6pB1 ALA 389 HB3 0.12 0.01 0.01 -0.04 1.41 1.50 1o6pB1 PHE 390 H 0.31 0.57 -0.34 -0.55 8.34 8.32 1o6pB1 PHE 390 HA 0.05 -0.04 0.30 -0.75 4.62 4.17 1o6pB1 PHE 390 HB2 0.07 0.03 0.05 -0.04 3.15 3.27 1o6pB1 PHE 390 HB3 0.05 0.15 0.03 -0.04 3.06 3.26 1o6pB1 PHE 390 HD2 0.01 -0.00 -0.20 -0.04 7.28 7.05 1o6pB1 PHE 390 HE2 -0.01 -0.01 -0.12 -0.04 7.38 7.20 1o6pB1 PHE 390 HZ -0.01 0.01 -0.22 -0.04 7.32 7.06 1o6pB1 GLY 391 H 0.25 0.43 -0.38 -0.55 8.43 8.18 1o6pB1 GLY 391 HA2 -0.14 0.02 0.41 -0.51 4.01 3.79 1o6pB1 GLY 391 HA3 -0.07 0.03 0.31 -0.51 4.01 3.76 1o6pB1 CYS 392 H 0.13 0.34 -0.36 -0.55 8.50 8.06 1o6pB1 CYS 392 HA 0.20 0.09 0.53 -0.75 4.58 4.65 1o6pB1 CYS 392 HB2 0.09 0.08 0.07 -0.04 2.97 3.17 1o6pB1 CYS 392 HB3 0.10 -0.09 -0.14 -0.04 2.97 2.80 1o6pB1 ILE 393 H -0.06 0.44 -0.09 -0.55 8.25 7.98 1o6pB1 ILE 393 HA -0.04 0.07 0.33 -0.75 4.18 3.79 1o6pB1 ILE 393 HB -0.08 -0.09 0.01 -0.04 1.89 1.69 1o6pB1 ILE 393 HG12 -0.33 0.24 0.00 -0.04 1.49 1.36 1o6pB1 ILE 393 HG13 -0.31 0.05 -0.55 -0.04 1.21 0.36 1o6pB1 ILE 393 HG23 -0.02 0.06 -0.07 -0.04 0.93 0.85 1o6pB1 ILE 393 HD13 -0.24 -0.05 -0.08 -0.04 0.88 0.46 1o6pB1 LEU 394 H -0.16 0.19 -0.82 -0.55 8.37 7.03 1o6pB1 LEU 394 HA -0.19 -0.01 0.29 -0.75 4.35 3.68 1o6pB1 LEU 394 HB2 -0.19 0.18 -0.02 -0.04 1.64 1.56 1o6pB1 LEU 394 HB3 -0.15 -0.04 -0.06 -0.04 1.64 1.34 1o6pB1 LEU 394 HG -0.32 0.32 0.08 -0.04 1.64 1.68 1o6pB1 LEU 394 HD13 -0.17 -0.01 -0.01 -0.04 0.93 0.69 1o6pB1 LEU 394 HD23 -0.25 -0.04 -0.08 -0.04 0.89 0.48 1o6pB1 GLU 395 H -0.05 0.29 -0.39 -0.55 8.60 7.91 1o6pB1 GLU 395 HA -0.03 0.16 0.94 -0.75 4.29 4.61 1o6pB1 GLU 395 HB2 -0.02 -0.00 -0.04 -0.04 2.09 1.98 1o6pB1 GLU 395 HB3 0.01 0.00 0.17 -0.04 1.99 2.13 1o6pB1 GLU 395 HG2 0.01 -0.02 -0.10 -0.04 2.34 2.18 1o6pB1 GLU 395 HG3 -0.01 0.03 0.01 -0.04 2.34 2.33 1o6pB1 GLY 396 H -0.02 0.29 -0.18 -0.55 8.43 7.97 1o6pB1 GLY 396 HA2 0.00 -0.05 0.25 -0.51 4.01 3.71 1o6pB1 GLY 396 HA3 -0.00 0.07 0.08 -0.51 4.01 3.65 1o6pB1 PRO 397 HA -0.01 -0.13 0.10 -0.51 4.44 3.89 1o6pB1 PRO 397 HB2 -0.04 0.04 -0.10 -0.04 2.28 2.14 1o6pB1 PRO 397 HB3 -0.02 -0.10 0.10 -0.04 2.02 1.97 1o6pB1 PRO 397 HG2 -0.05 -0.00 0.07 -0.04 2.03 2.01 1o6pB1 PRO 397 HG3 -0.02 0.20 0.23 -0.04 2.03 2.41 1o6pB1 PRO 397 HD2 -0.05 0.24 -0.06 -0.04 3.68 3.77 1o6pB1 PRO 397 HD3 -0.02 0.08 -0.04 -0.04 3.65 3.61 1o6pB1 GLU 398 H -0.01 0.01 0.12 -0.55 8.60 8.17 1o6pB1 GLU 398 HA -0.01 0.17 0.43 -0.75 4.29 4.12 1o6pB1 GLU 398 HB2 -0.00 0.05 0.20 -0.04 2.09 2.29 1o6pB1 GLU 398 HB3 -0.01 -0.16 0.18 -0.04 1.99 1.96 1o6pB1 GLU 398 HG2 -0.00 -0.23 0.04 -0.04 2.34 2.10 1o6pB1 GLU 398 HG3 -0.00 0.14 0.13 -0.04 2.34 2.56 1o6pB1 PRO 399 HA -0.02 0.18 0.43 -0.51 4.44 4.52 1o6pB1 PRO 399 HB2 -0.01 -0.02 0.08 -0.04 2.28 2.29 1o6pB1 PRO 399 HB3 -0.01 0.10 0.16 -0.04 2.02 2.22 1o6pB1 PRO 399 HG2 -0.01 0.03 0.12 -0.04 2.03 2.14 1o6pB1 PRO 399 HG3 -0.01 0.15 0.15 -0.04 2.03 2.27 1o6pB1 PRO 399 HD2 -0.01 -0.02 0.22 -0.04 3.68 3.84 1o6pB1 PRO 399 HD3 -0.01 0.18 0.26 -0.04 3.65 4.04 1o6pB1 SER 400 H -0.01 0.07 -0.22 -0.55 8.46 7.76 1o6pB1 SER 400 HA -0.00 0.14 0.56 -0.75 4.49 4.44 1o6pB1 SER 400 HB2 -0.00 0.03 0.02 -0.04 3.95 3.96 1o6pB1 SER 400 HB3 -0.00 0.05 0.09 -0.04 3.93 4.03 1o6pB1 GLN 401 H -0.01 0.04 -0.12 -0.55 8.47 7.84 1o6pB1 GLN 401 HA -0.00 0.01 0.35 -0.75 4.36 3.97 1o6pB1 GLN 401 HB2 -0.00 -0.08 0.14 -0.04 2.15 2.16 1o6pB1 GLN 401 HB3 -0.01 0.14 0.08 -0.04 2.02 2.18 1o6pB1 GLN 401 HG2 -0.00 -0.05 0.05 -0.04 2.40 2.36 1o6pB1 GLN 401 HG3 -0.00 0.05 0.01 -0.04 2.39 2.41 1o6pB1 GLN 401 HE21 -0.00 -0.02 0.03 -0.04 6.97 6.95 1o6pB1 GLN 401 HE22 -0.00 0.01 0.04 -0.04 7.69 7.71 1o6pB1 LEU 402 H -0.01 0.22 -0.88 -0.55 8.37 7.15 1o6pB1 LEU 402 HA -0.01 0.04 0.63 -0.75 4.35 4.25 1o6pB1 LEU 402 HB2 -0.03 0.14 0.01 -0.04 1.64 1.72 1o6pB1 LEU 402 HB3 -0.03 -0.02 -0.09 -0.04 1.64 1.45 1o6pB1 LEU 402 HG -0.05 -0.09 -0.18 -0.04 1.64 1.28 1o6pB1 LEU 402 HD13 -0.08 0.04 -0.05 -0.04 0.93 0.80 1o6pB1 LEU 402 HD23 -0.13 -0.02 -0.06 -0.04 0.89 0.64 1o6pB1 LYS 403 H 0.00 0.36 0.03 -0.55 8.42 8.26 1o6pB1 LYS 403 HA 0.02 0.02 0.38 -0.75 4.32 3.99 1o6pB1 LYS 403 HB2 0.01 0.16 0.23 -0.04 1.87 2.22 1o6pB1 LYS 403 HB3 0.01 -0.07 0.02 -0.04 1.79 1.71 1o6pB1 LYS 403 HG2 0.00 -0.01 0.10 -0.04 1.46 1.52 1o6pB1 LYS 403 HG3 -0.00 0.19 0.23 -0.04 1.46 1.84 1o6pB1 LYS 403 HD2 0.00 -0.06 0.09 -0.04 1.69 1.68 1o6pB1 LYS 403 HD3 0.00 -0.01 0.02 -0.04 1.68 1.65 1o6pB1 LYS 403 HE2 -0.00 0.02 -0.01 -0.04 2.99 2.95 1o6pB1 LYS 403 HE3 -0.00 -0.03 -0.08 -0.04 2.99 2.84 1o6pB1 PRO 404 HA 0.02 0.01 0.42 -0.51 4.44 4.38 1o6pB1 PRO 404 HB2 0.02 0.01 -0.03 -0.04 2.28 2.24 1o6pB1 PRO 404 HB3 0.01 -0.01 0.08 -0.04 2.02 2.06 1o6pB1 PRO 404 HG2 0.02 0.04 -0.03 -0.04 2.03 2.01 1o6pB1 PRO 404 HG3 0.01 0.01 0.01 -0.04 2.03 2.02 1o6pB1 PRO 404 HD2 0.01 0.13 -0.51 -0.04 3.68 3.27 1o6pB1 PRO 404 HD3 0.01 0.09 0.07 -0.04 3.65 3.77 1o6pB1 LEU 405 H 0.04 0.31 -0.26 -0.55 8.37 7.92 1o6pB1 LEU 405 HA 0.08 -0.03 0.40 -0.75 4.35 4.05 1o6pB1 LEU 405 HB2 0.05 -0.03 0.10 -0.04 1.64 1.72 1o6pB1 LEU 405 HB3 0.06 0.22 0.11 -0.04 1.64 1.99 1o6pB1 LEU 405 HG 0.37 0.00 -0.15 -0.04 1.64 1.82 1o6pB1 LEU 405 HD13 0.13 -0.03 -0.01 -0.04 0.93 0.99 1o6pB1 LEU 405 HD23 0.01 0.00 -0.05 -0.04 0.89 0.81 1o6pB1 VAL 406 H 0.08 0.57 -0.13 -0.55 8.24 8.20 1o6pB1 VAL 406 HA 0.27 0.01 0.38 -0.75 4.13 4.03 1o6pB1 VAL 406 HB 0.05 0.11 0.14 -0.04 2.12 2.38 1o6pB1 VAL 406 HG13 0.06 -0.01 -0.11 -0.04 0.97 0.87 1o6pB1 VAL 406 HG23 0.06 0.07 -0.11 -0.04 0.95 0.93 1o6pB1 ILE 407 H 0.04 0.52 -0.16 -0.55 8.25 8.11 1o6pB1 ILE 407 HA 0.01 0.06 0.47 -0.75 4.18 3.97 1o6pB1 ILE 407 HB 0.02 0.05 0.19 -0.04 1.89 2.11 1o6pB1 ILE 407 HG12 0.02 0.34 0.05 -0.04 1.49 1.86 1o6pB1 ILE 407 HG13 0.01 -0.07 -0.01 -0.04 1.21 1.09 1o6pB1 ILE 407 HG23 0.00 -0.02 -0.10 -0.04 0.93 0.77 1o6pB1 ILE 407 HD13 0.01 -0.01 -0.04 -0.04 0.88 0.80 1o6pB1 GLN 408 H 0.02 0.40 0.03 -0.55 8.47 8.37 1o6pB1 GLN 408 HA -0.01 -0.01 0.36 -0.75 4.36 3.95 1o6pB1 GLN 408 HB2 0.00 -0.03 -0.01 -0.04 2.15 2.07 1o6pB1 GLN 408 HB3 0.01 -0.06 0.11 -0.04 2.02 2.03 1o6pB1 GLN 408 HG2 0.03 0.23 0.28 -0.04 2.40 2.90 1o6pB1 GLN 408 HG3 0.05 0.07 0.09 -0.04 2.39 2.55 1o6pB1 GLN 408 HE21 0.01 -0.06 -0.02 -0.04 6.97 6.86 1o6pB1 GLN 408 HE22 0.01 -0.03 0.01 -0.04 7.69 7.65 1o6pB1 ALA 409 H 0.01 0.29 -0.67 -0.55 8.40 7.48 1o6pB1 ALA 409 HA -0.15 -0.03 0.48 -0.75 4.34 3.88 1o6pB1 ALA 409 HB3 -0.32 0.02 0.03 -0.04 1.41 1.10 1o6pB1 MET 410 H -0.03 0.49 -0.11 -0.55 8.47 8.27 1o6pB1 MET 410 HA -0.05 -0.05 0.30 -0.75 4.52 3.96 1o6pB1 MET 410 HB2 -0.01 0.19 0.35 -0.04 2.15 2.64 1o6pB1 MET 410 HB3 -0.02 -0.04 0.07 -0.04 2.03 2.00 1o6pB1 MET 410 HG2 -0.01 -0.08 -0.02 -0.04 2.63 2.47 1o6pB1 MET 410 HG3 -0.01 -0.05 0.08 -0.04 2.56 2.54 1o6pB1 MET 410 HE3 0.02 -0.02 -0.12 -0.04 2.10 1.94 1o6pB1 PRO 411 HA -0.02 0.02 0.43 -0.51 4.44 4.36 1o6pB1 PRO 411 HB2 -0.02 -0.03 0.11 -0.04 2.28 2.29 1o6pB1 PRO 411 HB3 -0.02 0.01 0.10 -0.04 2.02 2.07 1o6pB1 PRO 411 HG2 -0.05 -0.42 0.17 -0.04 2.03 1.70 1o6pB1 PRO 411 HG3 -0.03 0.09 0.10 -0.04 2.03 2.14 1o6pB1 PRO 411 HD2 -0.06 -0.10 -1.70 -0.04 3.68 1.79 1o6pB1 PRO 411 HD3 -0.03 0.12 -0.10 -0.04 3.65 3.60 1o6pB1 THR 412 H -0.05 0.25 0.10 -0.55 8.28 8.03 1o6pB1 THR 412 HA -0.03 -0.06 0.36 -0.75 4.39 3.90 1o6pB1 THR 412 HB -0.09 0.12 0.04 -0.04 4.32 4.36 1o6pB1 THR 412 HG23 -0.03 -0.01 -0.03 -0.04 1.22 1.11 1o6pB1 LEU 413 H -0.09 0.50 -0.55 -0.55 8.37 7.68 1o6pB1 LEU 413 HA -0.07 -0.03 0.34 -0.75 4.35 3.84 1o6pB1 LEU 413 HB2 -0.10 0.11 -0.18 -0.04 1.64 1.43 1o6pB1 LEU 413 HB3 -0.05 0.00 -0.11 -0.04 1.64 1.44 1o6pB1 LEU 413 HG -0.19 0.00 -0.17 -0.04 1.64 1.24 1o6pB1 LEU 413 HD13 -0.04 -0.01 0.01 -0.04 0.93 0.84 1o6pB1 LEU 413 HD23 -0.46 0.01 -0.13 -0.04 0.89 0.26 1o6pB1 ILE 414 H -0.03 0.82 -0.10 -0.55 8.25 8.40 1o6pB1 ILE 414 HA 0.00 0.07 0.64 -0.75 4.18 4.14 1o6pB1 ILE 414 HB -0.01 0.03 0.22 -0.04 1.89 2.09 1o6pB1 ILE 414 HG12 -0.02 0.68 0.24 -0.04 1.49 2.36 1o6pB1 ILE 414 HG13 -0.01 -0.13 0.04 -0.04 1.21 1.07 1o6pB1 ILE 414 HG23 0.00 -0.04 -0.06 -0.04 0.93 0.79 1o6pB1 ILE 414 HD13 -0.00 -0.03 -0.04 -0.04 0.88 0.76 1o6pB1 GLU 415 H -0.01 0.36 0.04 -0.55 8.60 8.45 1o6pB1 GLU 415 HA 0.00 -0.01 0.30 -0.75 4.29 3.83 1o6pB1 GLU 415 HB2 -0.00 0.14 0.16 -0.04 2.09 2.34 1o6pB1 GLU 415 HB3 0.00 -0.04 -0.04 -0.04 1.99 1.88 1o6pB1 GLU 415 HG2 -0.00 -0.03 0.00 -0.04 2.34 2.27 1o6pB1 GLU 415 HG3 -0.01 0.04 -0.11 -0.04 2.34 2.22 1o6pB1 LEU 416 H 0.00 0.64 -0.25 -0.55 8.37 8.22 1o6pB1 LEU 416 HA 0.03 -0.07 0.37 -0.75 4.35 3.92 1o6pB1 LEU 416 HB2 0.02 0.17 0.02 -0.04 1.64 1.81 1o6pB1 LEU 416 HB3 0.05 -0.07 0.01 -0.04 1.64 1.59 1o6pB1 LEU 416 HG 0.00 0.19 0.12 -0.04 1.64 1.91 1o6pB1 LEU 416 HD13 -0.00 -0.02 -0.05 -0.04 0.93 0.82 1o6pB1 LEU 416 HD23 0.04 -0.01 0.04 -0.04 0.89 0.92 1o6pB1 MET 417 H 0.02 0.58 -0.37 -0.55 8.47 8.15 1o6pB1 MET 417 HA 0.04 0.04 0.45 -0.75 4.52 4.30 1o6pB1 MET 417 HB2 0.02 0.13 0.10 -0.04 2.15 2.37 1o6pB1 MET 417 HB3 0.03 -0.10 0.09 -0.04 2.03 2.01 1o6pB1 MET 417 HG2 0.04 -0.08 -0.08 -0.04 2.63 2.47 1o6pB1 MET 417 HG3 0.02 0.21 0.20 -0.04 2.56 2.95 1o6pB1 MET 417 HE3 0.01 -0.01 0.03 -0.04 2.10 2.09 1o6pB1 LYS 418 H 0.02 0.56 -0.42 -0.55 8.42 8.03 1o6pB1 LYS 418 HA 0.02 0.09 0.71 -0.75 4.32 4.38 1o6pB1 LYS 418 HB2 0.01 0.20 0.09 -0.04 1.87 2.14 1o6pB1 LYS 418 HB3 0.01 -0.12 0.08 -0.04 1.79 1.72 1o6pB1 LYS 418 HG2 0.01 -0.03 -0.03 -0.04 1.46 1.37 1o6pB1 LYS 418 HG3 0.01 0.02 -0.16 -0.04 1.46 1.30 1o6pB1 LYS 418 HD2 0.01 0.00 -0.04 -0.04 1.69 1.62 1o6pB1 LYS 418 HD3 0.01 -0.05 -0.02 -0.04 1.68 1.57 1o6pB1 LYS 418 HE2 0.01 0.03 -0.06 -0.04 2.99 2.93 1o6pB1 LYS 418 HE3 0.01 -0.05 -0.04 -0.04 2.99 2.87 1o6pB1 ASP 419 H 0.03 0.37 -0.28 -0.55 8.40 7.98 1o6pB1 ASP 419 HA 0.03 -0.00 0.33 -0.75 4.63 4.23 1o6pB1 ASP 419 HB2 0.05 -0.03 0.19 -0.04 2.71 2.87 1o6pB1 ASP 419 HB3 0.06 0.09 0.06 -0.04 2.70 2.87 1o6pB1 PRO 420 HA 0.00 0.10 0.41 -0.51 4.44 4.44 1o6pB1 PRO 420 HB2 0.01 -0.06 0.01 -0.04 2.28 2.19 1o6pB1 PRO 420 HB3 -0.00 0.00 0.11 -0.04 2.02 2.09 1o6pB1 PRO 420 HG2 0.03 0.02 0.10 -0.04 2.03 2.14 1o6pB1 PRO 420 HG3 0.02 0.06 0.13 -0.04 2.03 2.20 1o6pB1 PRO 420 HD2 0.05 0.02 0.17 -0.04 3.68 3.89 1o6pB1 PRO 420 HD3 0.03 0.15 0.23 -0.04 3.65 4.02 1o6pB1 SER 421 H 0.05 0.06 -0.36 -0.55 8.46 7.66 1o6pB1 SER 421 HA -0.04 0.31 1.44 -0.75 4.49 5.45 1o6pB1 SER 421 HB2 -0.05 0.06 0.04 -0.04 3.95 3.96 1o6pB1 SER 421 HB3 0.13 -0.00 0.11 -0.04 3.93 4.12 1o6pB1 VAL 422 H -0.04 0.24 0.22 -0.55 8.24 8.11 1o6pB1 VAL 422 HA 0.02 0.17 0.41 -0.75 4.13 3.97 1o6pB1 VAL 422 HB -0.04 -0.09 0.14 -0.04 2.12 2.10 1o6pB1 VAL 422 HG13 0.00 0.02 -0.05 -0.04 0.97 0.90 1o6pB1 VAL 422 HG23 -0.04 0.03 0.14 -0.04 0.95 1.05 1o6pB1 VAL 423 H -0.01 0.09 -0.10 -0.55 8.24 7.66 1o6pB1 VAL 423 HA 0.10 0.11 0.36 -0.75 4.13 3.94 1o6pB1 VAL 423 HB 0.39 -0.10 0.07 -0.04 2.12 2.44 1o6pB1 VAL 423 HG13 0.38 0.02 -0.07 -0.04 0.97 1.26 1o6pB1 VAL 423 HG23 -0.05 0.01 0.05 -0.04 0.95 0.92 1o6pB1 VAL 424 H 0.20 -0.03 -0.23 -0.55 8.24 7.63 1o6pB1 VAL 424 HA 0.16 0.01 0.30 -0.75 4.13 3.84 1o6pB1 VAL 424 HB 0.13 0.11 0.11 -0.04 2.12 2.42 1o6pB1 VAL 424 HG13 0.11 0.04 -0.09 -0.04 0.97 0.98 1o6pB1 VAL 424 HG23 0.28 -0.04 0.05 -0.04 0.95 1.20 1o6pB1 ARG 425 H 0.08 1.36 0.09 -0.55 8.46 9.43 1o6pB1 ARG 425 HA 0.06 0.12 0.40 -0.75 4.34 4.17 1o6pB1 ARG 425 HB2 0.04 -0.22 0.16 -0.04 1.90 1.84 1o6pB1 ARG 425 HB3 0.04 -0.06 -0.01 -0.04 1.80 1.73 1o6pB1 ARG 425 HG2 0.03 0.35 -0.22 -0.04 1.67 1.79 1o6pB1 ARG 425 HG3 0.04 0.00 -0.24 -0.04 1.67 1.43 1o6pB1 ARG 425 HD2 0.02 0.08 -0.26 -0.04 3.22 3.01 1o6pB1 ARG 425 HD3 0.01 -0.24 -0.71 -0.04 3.22 2.24 1o6pB1 ASP 426 H 0.08 1.21 -0.02 -0.55 8.40 9.12 1o6pB1 ASP 426 HA 0.08 -0.03 0.42 -0.75 4.63 4.35 1o6pB1 ASP 426 HB2 0.07 0.15 0.24 -0.04 2.71 3.13 1o6pB1 ASP 426 HB3 0.06 -0.09 -0.01 -0.04 2.70 2.62 1o6pB1 THR 427 H 0.13 0.65 -0.06 -0.55 8.28 8.45 1o6pB1 THR 427 HA 0.24 -0.02 0.45 -0.75 4.39 4.31 1o6pB1 THR 427 HB 0.15 0.09 0.19 -0.04 4.32 4.71 1o6pB1 THR 427 HG23 0.25 0.01 -0.23 -0.04 1.22 1.21 1o6pB1 ALA 428 H 0.13 0.81 0.05 -0.55 8.40 8.85 1o6pB1 ALA 428 HA 0.11 -0.05 0.34 -0.75 4.34 3.98 1o6pB1 ALA 428 HB3 0.07 0.07 -0.01 -0.04 1.41 1.49 1o6pB1 ALA 429 H 0.12 0.47 -0.50 -0.55 8.40 7.94 1o6pB1 ALA 429 HA 0.07 -0.02 0.42 -0.75 4.34 4.06 1o6pB1 ALA 429 HB3 0.11 0.07 0.13 -0.04 1.41 1.68 1o6pB1 TRP 430 H 0.32 0.52 0.03 -0.55 7.97 8.29 1o6pB1 TRP 430 HA 0.04 -0.05 0.39 -0.75 4.62 4.25 1o6pB1 TRP 430 HB2 0.05 -0.01 0.17 -0.04 3.23 3.40 1o6pB1 TRP 430 HB3 0.05 0.14 0.26 -0.04 3.23 3.64 1o6pB1 TRP 430 HD1 0.04 -0.03 0.03 -0.04 7.22 7.21 1o6pB1 TRP 430 HE1 0.04 -0.02 -0.03 -0.04 10.20 10.14 1o6pB1 TRP 430 HE3 0.06 0.03 -0.01 -0.04 7.59 7.63 1o6pB1 TRP 430 HZ2 0.04 -0.01 -0.06 -0.04 7.44 7.36 1o6pB1 TRP 430 HZ3 0.05 0.06 -0.05 -0.04 7.13 7.15 1o6pB1 TRP 430 HH2 0.03 -0.00 -0.22 -0.04 7.19 6.95 1o6pB1 THR 431 H 0.19 0.61 -0.09 -0.55 8.28 8.45 1o6pB1 THR 431 HA -0.51 0.01 0.39 -0.75 4.39 3.52 1o6pB1 THR 431 HB 0.06 0.09 0.14 -0.04 4.32 4.58 1o6pB1 THR 431 HG23 0.14 -0.02 -0.18 -0.04 1.22 1.12 1o6pB1 VAL 432 H 0.01 0.72 0.01 -0.55 8.24 8.43 1o6pB1 VAL 432 HA -0.01 -0.06 0.37 -0.75 4.13 3.68 1o6pB1 VAL 432 HB 0.02 0.16 0.19 -0.04 2.12 2.45 1o6pB1 VAL 432 HG13 0.00 -0.04 -0.09 -0.04 0.97 0.80 1o6pB1 VAL 432 HG23 0.00 0.01 0.02 -0.04 0.95 0.94 1o6pB1 GLY 433 H -0.04 0.62 -0.36 -0.55 8.43 8.11 1o6pB1 GLY 433 HA2 -0.01 -0.06 0.41 -0.51 4.01 3.84 1o6pB1 GLY 433 HA3 -0.02 0.02 0.32 -0.51 4.01 3.82 1o6pB1 ARG 434 H -0.28 0.59 -0.01 -0.55 8.46 8.21 1o6pB1 ARG 434 HA -0.14 -0.02 0.42 -0.75 4.34 3.84 1o6pB1 ARG 434 HB2 -0.43 0.17 0.22 -0.04 1.90 1.82 1o6pB1 ARG 434 HB3 -0.27 -0.06 0.00 -0.04 1.80 1.44 1o6pB1 ARG 434 HG2 -0.29 -0.08 0.02 -0.04 1.67 1.29 1o6pB1 ARG 434 HG3 -0.68 0.04 0.05 -0.04 1.67 1.04 1o6pB1 ARG 434 HD2 -1.45 -0.11 -0.04 -0.04 3.22 1.57 1o6pB1 ARG 434 HD3 -1.84 -0.04 -0.04 -0.04 3.22 1.27 1o6pB1 ILE 435 H -0.09 0.45 -0.18 -0.55 8.25 7.88 1o6pB1 ILE 435 HA -0.04 0.00 0.35 -0.75 4.18 3.74 1o6pB1 ILE 435 HB -0.01 0.11 0.18 -0.04 1.89 2.12 1o6pB1 ILE 435 HG12 0.05 -0.05 -0.04 -0.04 1.49 1.42 1o6pB1 ILE 435 HG13 0.00 0.21 -0.04 -0.04 1.21 1.34 1o6pB1 ILE 435 HG23 0.01 -0.01 -0.22 -0.04 0.93 0.67 1o6pB1 ILE 435 HD13 0.12 -0.02 -0.06 -0.04 0.88 0.87 1o6pB1 CYS 436 H -0.02 0.47 0.03 -0.55 8.50 8.43 1o6pB1 CYS 436 HA -0.01 0.01 0.32 -0.75 4.58 4.15 1o6pB1 CYS 436 HB2 -0.01 0.05 0.08 -0.04 2.97 3.05 1o6pB1 CYS 436 HB3 -0.00 -0.06 0.03 -0.04 2.97 2.89 1o6pB1 GLU 437 H -0.03 0.35 -0.45 -0.55 8.60 7.93 1o6pB1 GLU 437 HA -0.01 -0.09 0.39 -0.75 4.29 3.82 1o6pB1 GLU 437 HB2 -0.02 -0.02 0.11 -0.04 2.09 2.12 1o6pB1 GLU 437 HB3 -0.04 0.18 0.12 -0.04 1.99 2.20 1o6pB1 GLU 437 HG2 -0.01 0.02 -0.09 -0.04 2.34 2.21 1o6pB1 GLU 437 HG3 -0.00 -0.11 0.05 -0.04 2.34 2.24 1o6pB1 LEU 438 H -0.03 0.20 -0.53 -0.55 8.37 7.46 1o6pB1 LEU 438 HA -0.02 -0.02 0.65 -0.75 4.35 4.21 1o6pB1 LEU 438 HB2 -0.04 0.04 0.24 -0.04 1.64 1.85 1o6pB1 LEU 438 HB3 -0.03 -0.39 0.26 -0.04 1.64 1.44 1o6pB1 LEU 438 HG -0.05 0.20 0.00 -0.04 1.64 1.75 1o6pB1 LEU 438 HD13 -0.06 -0.06 -0.03 -0.04 0.93 0.74 1o6pB1 LEU 438 HD23 -0.02 -0.02 -0.01 -0.04 0.89 0.80 1o6pB1 LEU 439 H -0.01 -0.02 0.13 -0.55 8.37 7.92 1o6pB1 LEU 439 HA -0.00 -0.12 0.35 -0.75 4.35 3.82 1o6pB1 LEU 439 HB2 -0.00 0.38 0.09 -0.04 1.64 2.06 1o6pB1 LEU 439 HB3 0.00 -0.11 0.16 -0.04 1.64 1.65 1o6pB1 LEU 439 HG 0.00 0.10 -0.29 -0.04 1.64 1.40 1o6pB1 LEU 439 HD13 0.01 -0.04 -0.07 -0.04 0.93 0.80 1o6pB1 LEU 439 HD23 0.00 -0.04 0.05 -0.04 0.89 0.86 1o6pB1 PRO 440 HA -0.00 0.03 0.07 -0.51 4.44 4.03 1o6pB1 PRO 440 HB2 -0.00 -0.02 0.04 -0.04 2.28 2.25 1o6pB1 PRO 440 HB3 -0.00 -0.08 0.05 -0.04 2.02 1.94 1o6pB1 PRO 440 HG2 -0.00 0.06 -0.04 -0.04 2.03 2.01 1o6pB1 PRO 440 HG3 -0.00 -0.12 0.02 -0.04 2.03 1.88 1o6pB1 PRO 440 HD2 -0.01 -0.02 0.14 -0.04 3.68 3.75 1o6pB1 PRO 440 HD3 -0.01 0.04 0.07 -0.04 3.65 3.72