============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TRP 3 1.040 31.976 12.424 31.663 -99.200 -91.000 TRP6 3 1.020 30.979 13.546 33.496 -99.200 -91.000 PHE 23 1.000 27.326 19.906 22.428 -99.200 -91.000 PHE 32 1.000 22.898 21.591 30.897 -99.200 -91.000 PHE 35 1.000 20.547 25.475 28.304 -99.200 -91.000 HIS 36 0.900 22.544 28.621 19.228 -99.200 -91.000 TYR 48 0.840 35.530 25.630 37.117 -99.200 -91.000 TYR 49 0.840 32.565 15.397 38.400 -99.200 -91.000 PHE 59 1.000 22.306 26.879 47.306 -99.200 -91.000 TRP 68 1.040 22.147 27.674 37.051 -99.200 -91.000 TRP6 68 1.020 22.571 26.349 35.140 -99.200 -91.000 TYR 69 0.840 25.920 24.442 42.497 -99.200 -91.000 HIS 86 0.900 20.972 25.483 61.414 -99.200 -91.000 PHE 101 1.000 20.712 23.036 42.594 -99.200 -91.000 HIS 112 0.900 14.258 33.457 47.297 -99.200 -91.000 PHE 131 1.000 23.426 30.938 35.317 -99.200 -91.000 TRP 135 1.040 19.607 35.414 32.262 -99.200 -91.000 TRP6 135 1.020 19.275 37.512 33.305 -99.200 -91.000 TYR 138 0.840 24.709 31.906 24.115 -99.200 -91.000 TYR 141 0.840 18.701 30.468 21.811 -99.200 -91.000 TYR 150 0.840 16.749 35.788 38.856 -99.200 -91.000 HIS 178 0.900 -6.954 -10.619 7.012 -99.200 -91.000 TYR 185 0.840 -21.815 -2.521 17.406 -99.200 -91.000 HIS 186 0.900 -25.533 -3.205 17.782 -99.200 -91.000 TYR 190 0.840 -19.366 1.888 13.595 -99.200 -91.000 TRP 202 1.040 -0.457 -7.994 11.362 -99.200 -91.000 TRP6 202 1.020 0.996 -6.168 11.727 -99.200 -91.000 HIS 211 0.900 8.564 -11.933 24.407 -99.200 -91.000 TRP 220 1.040 -1.812 -2.802 18.609 -99.200 -91.000 TRP6 220 1.020 -1.412 -2.066 16.394 -99.200 -91.000 HIS 231 0.900 -13.853 3.549 20.124 -99.200 -91.000 HIS 237 0.900 -9.960 2.768 27.843 -99.200 -91.000 PHE 238 1.000 -5.521 -1.443 20.979 -99.200 -91.000 TYR 242 0.840 -16.612 -7.003 16.972 -99.200 -91.000 PHE 244 1.000 -16.143 -2.130 14.654 -99.200 -91.000 TYR 245 0.840 -9.310 0.675 18.999 -99.200 -91.000 PHE 247 1.000 -3.342 1.619 11.592 -99.200 -91.000 HIS 285 0.900 -0.847 -1.792 29.214 -99.200 -91.000 TYR 306 0.840 7.110 -4.549 41.744 -99.200 -91.000 HIS 311 0.900 11.645 0.605 34.588 -99.200 -91.000 HIS 317 0.900 16.140 7.077 48.628 -99.200 -91.000 PHE 332 1.000 -1.783 9.992 35.062 -99.200 -91.000 HIS 335 0.900 -4.168 18.930 37.863 -99.200 -91.000 PHE 343 1.000 0.945 21.426 47.650 -99.200 -91.000 TRP 352 1.040 6.424 12.015 47.859 -99.200 -91.000 TRP6 352 1.020 7.247 9.803 47.708 -99.200 -91.000 TYR 353 0.840 0.419 16.011 44.663 -99.200 -91.000 TYR 365 0.840 2.558 36.641 51.448 -99.200 -91.000 HIS 374 0.900 12.591 21.490 35.590 -99.200 -91.000 PHE 379 1.000 4.902 18.583 43.878 -99.200 -91.000 HIS 402 0.900 0.543 13.459 31.674 -99.200 -91.000 PHE 403 1.000 1.860 17.145 38.638 -99.200 -91.000 PHE 411 1.000 4.421 5.473 52.459 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1o7fA1 ALA 13 HA -0.49 -0.01 0.15 -0.75 4.34 3.24 1o7fA1 ALA 13 HB3 -0.09 0.02 0.02 -0.04 1.41 1.31 1o7fA1 GLU 14 H 0.04 0.29 0.12 -0.55 8.60 8.50 1o7fA1 GLU 14 HA -0.08 0.11 0.52 -0.75 4.29 4.08 1o7fA1 GLU 14 HB2 0.12 -0.00 0.13 -0.04 2.09 2.29 1o7fA1 GLU 14 HB3 0.04 0.01 0.03 -0.04 1.99 2.03 1o7fA1 GLU 14 HG2 0.04 0.02 0.03 -0.04 2.34 2.40 1o7fA1 GLU 14 HG3 0.01 0.01 0.02 -0.04 2.34 2.33 1o7fA1 TRP 15 H 0.30 0.19 -0.01 -0.55 7.97 7.90 1o7fA1 TRP 15 HA -0.02 0.05 0.26 -0.75 4.62 4.16 1o7fA1 TRP 15 HB2 -0.02 0.04 -0.05 -0.04 3.23 3.16 1o7fA1 TRP 15 HB3 -0.01 0.14 -0.02 -0.04 3.23 3.31 1o7fA1 TRP 15 HD1 -0.02 -0.04 0.07 -0.04 7.22 7.19 1o7fA1 TRP 15 HE1 -0.03 0.10 0.01 -0.04 10.20 10.24 1o7fA1 TRP 15 HE3 -0.05 0.00 -0.29 -0.04 7.59 7.21 1o7fA1 TRP 15 HZ2 -0.02 0.02 -0.04 -0.04 7.44 7.36 1o7fA1 TRP 15 HZ3 0.05 0.02 -0.13 -0.04 7.13 7.04 1o7fA1 TRP 15 HH2 0.12 -0.01 -0.09 -0.04 7.19 7.17 1o7fA1 ILE 16 H -1.34 0.11 -0.57 -0.55 8.25 5.89 1o7fA1 ILE 16 HA -0.90 0.07 0.32 -0.75 4.18 2.91 1o7fA1 ILE 16 HB -0.80 0.22 0.01 -0.04 1.89 1.28 1o7fA1 ILE 16 HG12 -2.75 0.01 -0.05 -0.04 1.49 -1.35 1o7fA1 ILE 16 HG13 -2.92 -0.08 -0.06 -0.04 1.21 -1.89 1o7fA1 ILE 16 HG23 -0.85 0.00 -0.14 -0.04 0.93 -0.10 1o7fA1 ILE 16 HD13 -0.72 0.01 -0.02 -0.04 0.88 0.11 1o7fA1 ALA 17 H -0.30 0.32 -0.27 -0.55 8.40 7.60 1o7fA1 ALA 17 HA -0.11 0.04 0.37 -0.75 4.34 3.89 1o7fA1 ALA 17 HB3 -0.09 0.04 0.10 -0.04 1.41 1.42 1o7fA1 CYS 18 H -0.05 0.25 -0.36 -0.55 8.50 7.79 1o7fA1 CYS 18 HA 0.01 0.01 0.43 -0.75 4.58 4.27 1o7fA1 CYS 18 HB2 0.09 0.16 0.13 -0.04 2.97 3.32 1o7fA1 CYS 18 HB3 0.06 -0.02 -0.05 -0.04 2.97 2.91 1o7fA1 LEU 19 H 0.01 0.47 -0.08 -0.55 8.37 8.22 1o7fA1 LEU 19 HA 0.04 0.19 0.44 -0.75 4.35 4.26 1o7fA1 LEU 19 HB2 0.05 -0.00 0.08 -0.04 1.64 1.73 1o7fA1 LEU 19 HB3 0.16 -0.10 -0.11 -0.04 1.64 1.55 1o7fA1 LEU 19 HG 0.23 0.00 -0.05 -0.04 1.64 1.79 1o7fA1 LEU 19 HD13 0.37 -0.03 -0.20 -0.04 0.93 1.03 1o7fA1 LEU 19 HD23 0.09 0.02 -0.15 -0.04 0.89 0.81 1o7fA1 ASP 20 H -0.02 0.44 -0.26 -0.55 8.40 8.02 1o7fA1 ASP 20 HA 0.13 -0.01 0.47 -0.75 4.63 4.47 1o7fA1 ASP 20 HB2 -0.03 0.03 0.12 -0.04 2.71 2.79 1o7fA1 ASP 20 HB3 0.03 -0.09 0.12 -0.04 2.70 2.72 1o7fA1 LYS 21 H 0.04 0.27 -0.95 -0.55 8.42 7.22 1o7fA1 LYS 21 HA 0.04 -0.01 0.67 -0.75 4.32 4.26 1o7fA1 LYS 21 HB2 0.02 0.02 0.08 -0.04 1.87 1.94 1o7fA1 LYS 21 HB3 0.02 0.25 0.04 -0.04 1.79 2.06 1o7fA1 LYS 21 HG2 0.03 -0.03 0.02 -0.04 1.46 1.43 1o7fA1 LYS 21 HG3 0.02 -0.10 0.08 -0.04 1.46 1.42 1o7fA1 LYS 21 HD2 0.02 -0.01 -0.10 -0.04 1.69 1.55 1o7fA1 LYS 21 HD3 0.01 0.13 0.03 -0.04 1.68 1.81 1o7fA1 LYS 21 HE2 0.01 -0.05 0.03 -0.04 2.99 2.94 1o7fA1 LYS 21 HE3 0.01 0.09 0.04 -0.04 2.99 3.09 1o7fA1 ARG 22 H 0.05 0.00 0.12 -0.55 8.46 8.08 1o7fA1 ARG 22 HA 0.12 0.18 0.50 -0.75 4.34 4.38 1o7fA1 PRO 23 HA -0.03 0.28 0.55 -0.51 4.44 4.72 1o7fA1 PRO 23 HB2 0.01 -0.17 0.16 -0.04 2.28 2.24 1o7fA1 PRO 23 HB3 -0.05 0.28 0.27 -0.04 2.02 2.48 1o7fA1 PRO 23 HG2 -0.00 -0.06 0.15 -0.04 2.03 2.08 1o7fA1 PRO 23 HG3 -0.26 0.26 0.11 -0.04 2.03 2.09 1o7fA1 PRO 23 HD2 0.11 -0.05 0.26 -0.04 3.68 3.95 1o7fA1 PRO 23 HD3 0.14 0.24 0.27 -0.04 3.65 4.26 1o7fA1 LEU 24 H 0.03 0.09 -0.05 -0.55 8.37 7.88 1o7fA1 LEU 24 HA 0.01 0.13 0.45 -0.75 4.35 4.18 1o7fA1 GLU 25 H 0.02 0.17 -0.54 -0.55 8.60 7.71 1o7fA1 GLU 25 HA 0.01 0.15 0.73 -0.75 4.29 4.42 1o7fA1 GLU 25 HB2 0.02 0.05 0.06 -0.04 2.09 2.18 1o7fA1 GLU 25 HB3 0.01 -0.03 0.16 -0.04 1.99 2.09 1o7fA1 GLU 25 HG2 0.02 0.03 -0.09 -0.04 2.34 2.26 1o7fA1 GLU 25 HG3 0.02 -0.11 -0.10 -0.04 2.34 2.11 1o7fA1 ARG 26 H 0.01 0.41 -0.41 -0.55 8.46 7.91 1o7fA1 ARG 26 HA 0.01 0.04 0.89 -0.75 4.34 4.53 1o7fA1 ARG 26 HB2 0.00 0.19 0.21 -0.04 1.90 2.26 1o7fA1 ARG 26 HB3 0.01 -0.14 -0.02 -0.04 1.80 1.62 1o7fA1 ARG 26 HG2 0.01 -0.08 -0.04 -0.04 1.67 1.52 1o7fA1 ARG 26 HG3 0.00 0.42 -0.06 -0.04 1.67 1.99 1o7fA1 ARG 26 HD2 -0.02 0.05 0.08 -0.04 3.22 3.30 1o7fA1 ARG 26 HD3 0.01 -0.11 -0.06 -0.04 3.22 3.01 1o7fA1 SER 27 H 0.01 0.14 0.21 -0.55 8.46 8.27 1o7fA1 SER 27 HA 0.01 0.19 0.56 -0.75 4.49 4.49 1o7fA1 SER 27 HB2 0.01 -0.01 0.14 -0.04 3.95 4.04 1o7fA1 SER 27 HB3 0.01 0.16 0.12 -0.04 3.93 4.18 1o7fA1 SER 28 H 0.00 0.23 0.18 -0.55 8.46 8.33 1o7fA1 SER 28 HA 0.01 0.13 0.32 -0.75 4.49 4.19 1o7fA1 SER 28 HB2 -0.01 -0.01 0.01 -0.04 3.95 3.91 1o7fA1 SER 28 HB3 -0.01 0.04 0.08 -0.04 3.93 3.99 1o7fA1 GLU 29 H 0.01 -0.07 -0.81 -0.55 8.60 7.18 1o7fA1 GLU 29 HA 0.01 0.10 0.38 -0.75 4.29 4.02 1o7fA1 GLU 29 HB2 0.01 -0.05 0.06 -0.04 2.09 2.07 1o7fA1 GLU 29 HB3 0.01 0.05 -0.02 -0.04 1.99 1.99 1o7fA1 GLU 29 HG2 0.01 0.05 0.01 -0.04 2.34 2.37 1o7fA1 GLU 29 HG3 0.00 0.04 -0.01 -0.04 2.34 2.34 1o7fA1 ASP 30 H 0.02 0.22 -0.01 -0.55 8.40 8.09 1o7fA1 ASP 30 HA 0.04 0.01 0.39 -0.75 4.63 4.32 1o7fA1 ASP 30 HB2 0.03 0.12 0.10 -0.04 2.71 2.91 1o7fA1 ASP 30 HB3 0.04 0.04 0.03 -0.04 2.70 2.76 1o7fA1 VAL 31 H 0.03 0.43 -0.20 -0.55 8.24 7.95 1o7fA1 VAL 31 HA 0.07 0.10 0.24 -0.75 4.13 3.78 1o7fA1 VAL 31 HB 0.03 0.08 0.02 -0.04 2.12 2.20 1o7fA1 VAL 31 HG13 0.07 -0.01 -0.11 -0.04 0.97 0.89 1o7fA1 VAL 31 HG23 0.02 0.06 -0.18 -0.04 0.95 0.81 1o7fA1 ASP 32 H 0.04 0.37 -0.61 -0.55 8.40 7.65 1o7fA1 ASP 32 HA 0.03 0.02 0.46 -0.75 4.63 4.38 1o7fA1 ASP 32 HB2 0.02 0.27 0.19 -0.04 2.71 3.14 1o7fA1 ASP 32 HB3 0.01 -0.07 0.01 -0.04 2.70 2.60 1o7fA1 ILE 33 H 0.08 0.46 -0.02 -0.55 8.25 8.22 1o7fA1 ILE 33 HA 0.09 0.04 0.49 -0.75 4.18 4.04 1o7fA1 ILE 33 HB 0.11 0.09 0.09 -0.04 1.89 2.15 1o7fA1 ILE 33 HG12 0.06 -0.04 0.01 -0.04 1.49 1.49 1o7fA1 ILE 33 HG13 0.06 0.21 0.14 -0.04 1.21 1.58 1o7fA1 ILE 33 HG23 0.15 -0.04 -0.05 -0.04 0.93 0.95 1o7fA1 ILE 33 HD13 0.05 -0.03 -0.04 -0.04 0.88 0.82 1o7fA1 ILE 34 H 0.13 0.53 -0.13 -0.55 8.25 8.23 1o7fA1 ILE 34 HA 0.19 -0.02 0.45 -0.75 4.18 4.04 1o7fA1 ILE 34 HB 0.12 0.10 0.06 -0.04 1.89 2.12 1o7fA1 ILE 34 HG12 0.20 0.01 -0.02 -0.04 1.49 1.64 1o7fA1 ILE 34 HG13 0.13 -0.02 -0.05 -0.04 1.21 1.24 1o7fA1 ILE 34 HG23 0.13 0.01 -0.10 -0.04 0.93 0.93 1o7fA1 ILE 34 HD13 0.07 0.01 -0.24 -0.04 0.88 0.69 1o7fA1 PHE 35 H 0.22 0.57 -0.15 -0.55 8.34 8.42 1o7fA1 PHE 35 HA 0.00 0.03 0.31 -0.75 4.62 4.20 1o7fA1 PHE 35 HB2 0.00 0.22 0.16 -0.04 3.15 3.49 1o7fA1 PHE 35 HB3 0.00 0.09 0.15 -0.04 3.06 3.26 1o7fA1 PHE 35 HD2 -0.01 0.03 -0.28 -0.04 7.28 6.98 1o7fA1 PHE 35 HE2 -0.01 0.04 -0.09 -0.04 7.38 7.28 1o7fA1 PHE 35 HZ 0.01 -0.01 -0.03 -0.04 7.32 7.24 1o7fA1 THR 36 H 0.20 0.46 -0.24 -0.55 8.28 8.15 1o7fA1 THR 36 HA 0.16 0.01 0.36 -0.75 4.39 4.18 1o7fA1 THR 36 HB 0.05 0.09 0.11 -0.04 4.32 4.53 1o7fA1 THR 36 HG23 0.02 -0.02 -0.08 -0.04 1.22 1.10 1o7fA1 ARG 37 H -0.08 0.33 -0.30 -0.55 8.46 7.86 1o7fA1 ARG 37 HA -0.28 0.02 0.43 -0.75 4.34 3.75 1o7fA1 ARG 37 HB2 -0.42 0.05 0.17 -0.04 1.90 1.66 1o7fA1 ARG 37 HB3 -0.55 0.09 0.04 -0.04 1.80 1.33 1o7fA1 ARG 37 HG2 -0.92 -0.03 0.06 -0.04 1.67 0.74 1o7fA1 ARG 37 HG3 -3.18 -0.09 -0.01 -0.04 1.67 -1.64 1o7fA1 ARG 37 HD2 -0.94 0.01 -0.16 -0.04 3.22 2.10 1o7fA1 ARG 37 HD3 -0.52 0.02 0.15 -0.04 3.22 2.83 1o7fA1 LEU 38 H -0.15 0.48 -0.21 -0.55 8.37 7.95 1o7fA1 LEU 38 HA -0.08 0.06 0.63 -0.75 4.35 4.21 1o7fA1 LEU 38 HB2 -0.16 0.09 0.01 -0.04 1.64 1.54 1o7fA1 LEU 38 HB3 0.18 -0.09 -0.00 -0.04 1.64 1.69 1o7fA1 LEU 38 HG -0.05 0.24 -0.02 -0.04 1.64 1.77 1o7fA1 LEU 38 HD13 0.05 -0.01 -0.16 -0.04 0.93 0.76 1o7fA1 LEU 38 HD23 0.04 -0.02 -0.15 -0.04 0.89 0.72 1o7fA1 LYS 39 H -0.19 0.60 -0.07 -0.55 8.42 8.21 1o7fA1 LYS 39 HA -0.19 0.00 0.29 -0.75 4.32 3.67 1o7fA1 LYS 39 HB2 -0.00 -0.05 0.04 -0.04 1.87 1.82 1o7fA1 LYS 39 HB3 -0.16 0.03 0.07 -0.04 1.79 1.70 1o7fA1 LYS 39 HG2 -0.03 0.47 0.14 -0.04 1.46 2.00 1o7fA1 LYS 39 HG3 -0.02 -0.04 -0.17 -0.04 1.46 1.19 1o7fA1 LYS 39 HD2 0.08 -0.06 -0.03 -0.04 1.69 1.65 1o7fA1 LYS 39 HD3 0.17 -0.06 0.00 -0.04 1.68 1.75 1o7fA1 LYS 39 HE2 0.03 0.10 0.07 -0.04 2.99 3.15 1o7fA1 LYS 39 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.92 1o7fA1 GLY 40 H -0.09 0.20 -0.62 -0.55 8.43 7.37 1o7fA1 GLY 40 HA2 -0.05 0.10 0.49 -0.51 4.01 4.04 1o7fA1 GLY 40 HA3 -0.07 -0.00 0.24 -0.51 4.01 3.67 1o7fA1 VAL 41 H -0.08 0.62 -0.20 -0.55 8.24 8.03 1o7fA1 VAL 41 HA -0.22 0.04 0.53 -0.75 4.13 3.73 1o7fA1 VAL 41 HB -0.53 0.12 0.14 -0.04 2.12 1.80 1o7fA1 VAL 41 HG13 -0.92 -0.09 -0.14 -0.04 0.97 -0.22 1o7fA1 VAL 41 HG23 -0.28 0.02 0.04 -0.04 0.95 0.69 1o7fA1 LYS 42 H -0.18 0.15 0.30 -0.55 8.42 8.14 1o7fA1 LYS 42 HA -0.11 0.08 0.40 -0.75 4.32 3.93 1o7fA1 LYS 42 HB2 -0.11 0.04 0.27 -0.04 1.87 2.03 1o7fA1 LYS 42 HB3 -0.18 0.15 0.23 -0.04 1.79 1.96 1o7fA1 LYS 42 HG2 -0.05 -0.02 0.05 -0.04 1.46 1.40 1o7fA1 LYS 42 HG3 -0.08 -0.01 -0.02 -0.04 1.46 1.31 1o7fA1 LYS 42 HD2 -0.05 0.01 0.12 -0.04 1.69 1.73 1o7fA1 LYS 42 HD3 -0.04 0.03 0.09 -0.04 1.68 1.73 1o7fA1 LYS 42 HE2 -0.01 0.01 0.06 -0.04 2.99 3.01 1o7fA1 LYS 42 HE3 0.00 -0.05 0.08 -0.04 2.99 2.98 1o7fA1 ALA 43 H -0.36 0.20 -0.09 -0.55 8.40 7.60 1o7fA1 ALA 43 HA -0.19 0.10 0.50 -0.75 4.34 3.99 1o7fA1 ALA 43 HB3 -0.23 -0.01 0.08 -0.04 1.41 1.21 1o7fA1 PHE 44 H -0.27 0.69 -0.41 -0.55 8.34 7.80 1o7fA1 PHE 44 HA -1.25 0.15 0.87 -0.75 4.62 3.64 1o7fA1 PHE 44 HB2 -0.21 0.19 0.06 -0.04 3.15 3.14 1o7fA1 PHE 44 HB3 -0.22 -0.06 -0.03 -0.04 3.06 2.71 1o7fA1 PHE 44 HD2 -0.41 0.22 -0.30 -0.04 7.28 6.75 1o7fA1 PHE 44 HE2 0.30 -0.01 -0.14 -0.04 7.38 7.49 1o7fA1 PHE 44 HZ 0.15 -0.03 -0.16 -0.04 7.32 7.25 1o7fA1 GLU 45 H -0.08 0.42 -0.01 -0.55 8.60 8.38 1o7fA1 GLU 45 HA 0.00 0.10 0.33 -0.75 4.29 3.96 1o7fA1 GLU 45 HB2 -0.00 -0.07 0.13 -0.04 2.09 2.11 1o7fA1 GLU 45 HB3 -0.03 0.05 0.06 -0.04 1.99 2.03 1o7fA1 GLU 45 HG2 -0.05 0.39 0.10 -0.04 2.34 2.73 1o7fA1 GLU 45 HG3 -0.00 -0.04 -0.25 -0.04 2.34 2.01 1o7fA1 LYS 46 H -0.06 0.08 -1.07 -0.55 8.42 6.81 1o7fA1 LYS 46 HA 0.13 0.16 0.85 -0.75 4.32 4.71 1o7fA1 LYS 46 HB2 0.08 -0.02 -0.11 -0.04 1.87 1.78 1o7fA1 LYS 46 HB3 0.12 0.05 -0.03 -0.04 1.79 1.89 1o7fA1 LYS 46 HG2 0.24 0.02 0.14 -0.04 1.46 1.82 1o7fA1 LYS 46 HG3 0.16 -0.02 0.10 -0.04 1.46 1.66 1o7fA1 LYS 46 HD2 0.12 0.01 -0.04 -0.04 1.69 1.73 1o7fA1 LYS 46 HD3 0.11 -0.04 -0.01 -0.04 1.68 1.70 1o7fA1 LYS 46 HE2 0.08 -0.01 -0.00 -0.04 2.99 3.01 1o7fA1 LYS 46 HE3 0.07 0.03 -0.05 -0.04 2.99 2.99 1o7fA1 PHE 47 H 0.20 0.56 -0.03 -0.55 8.34 8.52 1o7fA1 PHE 47 HA 0.13 0.19 1.03 -0.75 4.62 5.22 1o7fA1 PHE 47 HB2 -0.02 0.19 0.15 -0.04 3.15 3.43 1o7fA1 PHE 47 HB3 -0.09 -0.16 -0.08 -0.04 3.06 2.69 1o7fA1 PHE 47 HD2 -0.13 0.06 -0.23 -0.04 7.28 6.95 1o7fA1 PHE 47 HE2 0.07 -0.02 -0.02 -0.04 7.38 7.37 1o7fA1 PHE 47 HZ 0.27 -0.09 -0.04 -0.04 7.32 7.42 1o7fA1 HIS 48 H 0.05 0.16 0.19 -0.55 8.41 8.26 1o7fA1 HIS 48 HA -0.00 0.17 0.45 -0.75 4.63 4.50 1o7fA1 HIS 48 HB2 -1.29 0.11 0.17 -0.04 3.26 2.21 1o7fA1 HIS 48 HB3 -0.57 -0.11 0.20 -0.04 3.20 2.67 1o7fA1 HIS 48 HD2 -0.13 0.05 0.03 -0.04 6.97 6.88 1o7fA1 HIS 48 HE1 -0.01 0.03 0.02 -0.04 7.75 7.74 1o7fA1 PRO 49 HA 0.27 0.11 0.34 -0.51 4.44 4.65 1o7fA1 PRO 49 HB2 0.07 -0.04 0.07 -0.04 2.28 2.34 1o7fA1 PRO 49 HB3 0.07 0.05 0.05 -0.04 2.02 2.15 1o7fA1 PRO 49 HG2 -0.06 0.03 0.09 -0.04 2.03 2.05 1o7fA1 PRO 49 HG3 0.08 0.12 0.12 -0.04 2.03 2.31 1o7fA1 PRO 49 HD2 -0.64 0.04 0.21 -0.04 3.68 3.25 1o7fA1 PRO 49 HD3 -0.10 0.27 0.27 -0.04 3.65 4.06 1o7fA1 ASN 50 H 0.61 0.11 -0.28 -0.55 8.53 8.42 1o7fA1 ASN 50 HA 0.04 0.08 0.40 -0.75 4.76 4.52 1o7fA1 ASN 50 HB2 -0.15 0.00 0.03 -0.04 2.88 2.72 1o7fA1 ASN 50 HB3 0.04 0.04 0.00 -0.04 2.79 2.83 1o7fA1 ASN 50 HD21 0.09 0.03 -0.02 -0.04 7.03 7.09 1o7fA1 ASN 50 HD22 0.07 0.00 -0.07 -0.04 7.74 7.70 1o7fA1 LEU 51 H -0.28 0.27 -0.17 -0.55 8.37 7.64 1o7fA1 LEU 51 HA -1.23 0.04 0.43 -0.75 4.35 2.84 1o7fA1 LEU 51 HB2 -1.21 -0.02 0.11 -0.04 1.64 0.48 1o7fA1 LEU 51 HB3 -0.45 0.19 0.18 -0.04 1.64 1.51 1o7fA1 LEU 51 HG -0.73 0.01 -0.33 -0.04 1.64 0.55 1o7fA1 LEU 51 HD13 -0.73 -0.01 -0.07 -0.04 0.93 0.07 1o7fA1 LEU 51 HD23 -1.06 -0.00 0.00 -0.04 0.89 -0.22 1o7fA1 LEU 52 H -0.10 0.46 -0.18 -0.55 8.37 8.01 1o7fA1 LEU 52 HA -0.19 0.01 0.27 -0.75 4.35 3.68 1o7fA1 LEU 52 HB2 -0.03 0.04 -0.06 -0.04 1.64 1.56 1o7fA1 LEU 52 HB3 0.02 0.08 -0.08 -0.04 1.64 1.63 1o7fA1 LEU 52 HG -0.81 -0.02 -0.16 -0.04 1.64 0.61 1o7fA1 LEU 52 HD13 -0.41 -0.03 -0.04 -0.04 0.93 0.42 1o7fA1 LEU 52 HD23 -0.55 0.02 -0.14 -0.04 0.89 0.17 1o7fA1 ARG 53 H 0.00 0.22 -0.89 -0.55 8.46 7.24 1o7fA1 ARG 53 HA 0.19 0.04 0.46 -0.75 4.34 4.28 1o7fA1 ARG 53 HB2 0.02 0.18 0.22 -0.04 1.90 2.27 1o7fA1 ARG 53 HB3 0.03 -0.06 -0.06 -0.04 1.80 1.67 1o7fA1 ARG 53 HG2 0.20 0.09 -0.04 -0.04 1.67 1.89 1o7fA1 ARG 53 HG3 0.02 -0.10 -0.08 -0.04 1.67 1.47 1o7fA1 ARG 53 HD2 0.10 0.01 -0.04 -0.04 3.22 3.25 1o7fA1 ARG 53 HD3 -0.13 -0.03 -0.07 -0.04 3.22 2.96 1o7fA1 GLN 54 H -0.12 0.57 0.08 -0.55 8.47 8.44 1o7fA1 GLN 54 HA -0.04 0.01 0.38 -0.75 4.36 3.97 1o7fA1 GLN 54 HB2 -0.23 0.13 0.20 -0.04 2.15 2.21 1o7fA1 GLN 54 HB3 -0.07 -0.06 -0.01 -0.04 2.02 1.83 1o7fA1 GLN 54 HG2 -0.11 0.26 0.13 -0.04 2.40 2.63 1o7fA1 GLN 54 HG3 0.00 -0.04 0.00 -0.04 2.39 2.31 1o7fA1 GLN 54 HE21 0.00 -0.02 -0.03 -0.04 6.97 6.88 1o7fA1 GLN 54 HE22 -0.01 0.05 -0.00 -0.04 7.69 7.70 1o7fA1 ILE 55 H -0.14 0.55 -0.22 -0.55 8.25 7.89 1o7fA1 ILE 55 HA -0.02 -0.04 0.27 -0.75 4.18 3.64 1o7fA1 ILE 55 HB -0.16 0.15 -0.02 -0.04 1.89 1.82 1o7fA1 ILE 55 HG12 -0.04 -0.07 -0.09 -0.04 1.49 1.25 1o7fA1 ILE 55 HG13 -0.21 0.17 -0.05 -0.04 1.21 1.08 1o7fA1 ILE 55 HG23 -0.00 -0.01 -0.20 -0.04 0.93 0.67 1o7fA1 ILE 55 HD13 -0.16 -0.01 -0.17 -0.04 0.88 0.50 1o7fA1 CYS 56 H -0.02 0.39 -0.41 -0.55 8.50 7.91 1o7fA1 CYS 56 HA 0.03 -0.01 0.32 -0.75 4.58 4.16 1o7fA1 CYS 56 HB2 0.08 0.15 0.13 -0.04 2.97 3.29 1o7fA1 CYS 56 HB3 0.08 -0.12 0.06 -0.04 2.97 2.94 1o7fA1 LEU 57 H -0.01 0.37 -0.47 -0.55 8.37 7.72 1o7fA1 LEU 57 HA -0.01 0.10 0.65 -0.75 4.35 4.34 1o7fA1 LEU 57 HB2 -0.00 -0.00 0.06 -0.04 1.64 1.66 1o7fA1 LEU 57 HB3 -0.02 0.04 0.10 -0.04 1.64 1.72 1o7fA1 LEU 57 HG -0.01 0.03 0.06 -0.04 1.64 1.68 1o7fA1 LEU 57 HD13 0.00 -0.00 0.00 -0.04 0.93 0.89 1o7fA1 LEU 57 HD23 -0.00 -0.03 -0.03 -0.04 0.89 0.79 1o7fA1 CYS 58 H -0.04 0.30 -0.01 -0.55 8.50 8.21 1o7fA1 CYS 58 HA -0.13 0.20 1.05 -0.75 4.58 4.95 1o7fA1 CYS 58 HB2 -0.01 -0.13 0.13 -0.04 2.97 2.92 1o7fA1 CYS 58 HB3 -0.02 -0.02 -0.04 -0.04 2.97 2.85 1o7fA1 GLY 59 H -0.07 0.44 0.04 -0.55 8.43 8.29 1o7fA1 GLY 59 HA2 -0.03 0.01 0.62 -0.51 4.01 4.10 1o7fA1 GLY 59 HA3 0.02 -0.00 0.34 -0.51 4.01 3.85 1o7fA1 TYR 60 H 0.15 0.48 0.41 -0.55 8.29 8.79 1o7fA1 TYR 60 HA 0.11 0.37 0.88 -0.75 4.56 5.17 1o7fA1 TYR 60 HB2 0.05 -0.11 0.02 -0.04 3.06 2.97 1o7fA1 TYR 60 HB3 0.07 -0.03 0.09 -0.04 2.98 3.08 1o7fA1 TYR 60 HD2 0.04 -0.00 0.01 -0.04 7.15 7.16 1o7fA1 TYR 60 HE2 0.03 -0.08 0.03 -0.04 6.85 6.79 1o7fA1 TYR 61 H 0.35 0.27 0.12 -0.55 8.29 8.48 1o7fA1 TYR 61 HA 0.16 0.28 1.12 -0.75 4.56 5.36 1o7fA1 TYR 61 HB2 0.14 0.01 -0.07 -0.04 3.06 3.10 1o7fA1 TYR 61 HB3 0.06 0.03 0.05 -0.04 2.98 3.07 1o7fA1 TYR 61 HD2 0.13 0.04 -0.08 -0.04 7.15 7.19 1o7fA1 TYR 61 HE2 0.08 -0.03 -0.09 -0.04 6.85 6.77 1o7fA1 GLU 62 H -0.30 0.59 0.34 -0.55 8.60 8.68 1o7fA1 GLU 62 HA -0.23 0.20 0.93 -0.75 4.29 4.43 1o7fA1 GLU 62 HB2 -0.05 -0.08 -0.02 -0.04 2.09 1.90 1o7fA1 GLU 62 HB3 -0.08 0.02 -0.08 -0.04 1.99 1.82 1o7fA1 GLU 62 HG2 0.06 -0.05 -0.39 -0.04 2.34 1.92 1o7fA1 GLU 62 HG3 0.09 -0.03 -0.16 -0.04 2.34 2.21 1o7fA1 ASN 63 H -0.23 0.29 0.15 -0.55 8.53 8.20 1o7fA1 ASN 63 HA -0.19 0.24 1.01 -0.75 4.76 5.07 1o7fA1 ASN 63 HB2 -0.13 -0.00 -0.02 -0.04 2.88 2.68 1o7fA1 ASN 63 HB3 -0.07 -0.02 0.14 -0.04 2.79 2.80 1o7fA1 ASN 63 HD21 0.02 -0.03 -0.12 -0.04 7.03 6.86 1o7fA1 ASN 63 HD22 0.01 -0.02 -0.07 -0.04 7.74 7.61 1o7fA1 LEU 64 H -0.06 0.86 0.35 -0.55 8.37 8.98 1o7fA1 LEU 64 HA -0.04 0.18 1.04 -0.75 4.35 4.77 1o7fA1 LEU 64 HB2 -0.05 -0.04 0.02 -0.04 1.64 1.52 1o7fA1 LEU 64 HB3 -0.05 0.06 0.03 -0.04 1.64 1.64 1o7fA1 LEU 64 HG -0.07 -0.08 -0.40 -0.04 1.64 1.04 1o7fA1 LEU 64 HD13 -0.08 -0.01 -0.14 -0.04 0.93 0.67 1o7fA1 LEU 64 HD23 -0.04 0.09 -0.10 -0.04 0.89 0.80 1o7fA1 GLU 65 H -0.02 0.15 0.14 -0.55 8.60 8.32 1o7fA1 GLU 65 HA -0.01 0.04 0.63 -0.75 4.29 4.19 1o7fA1 GLU 65 HB2 -0.01 -0.00 0.10 -0.04 2.09 2.13 1o7fA1 GLU 65 HB3 -0.01 0.17 -0.05 -0.04 1.99 2.06 1o7fA1 GLU 65 HG2 -0.00 0.04 0.02 -0.04 2.34 2.36 1o7fA1 GLU 65 HG3 -0.00 -0.10 0.11 -0.04 2.34 2.30 1o7fA1 LYS 66 H -0.00 0.05 0.01 -0.55 8.42 7.92 1o7fA1 LYS 66 HA -0.02 0.04 0.02 -0.75 4.32 3.61 1o7fA1 LYS 66 HB2 0.01 0.09 -0.26 -0.04 1.87 1.67 1o7fA1 LYS 66 HB3 0.00 -0.09 0.05 -0.04 1.79 1.72 1o7fA1 LYS 66 HG2 -0.01 0.09 -0.45 -0.04 1.46 1.04 1o7fA1 LYS 66 HG3 0.01 0.05 -0.10 -0.04 1.46 1.38 1o7fA1 LYS 66 HD2 -0.00 -0.03 -0.03 -0.04 1.69 1.59 1o7fA1 LYS 66 HD3 -0.01 -0.05 -0.11 -0.04 1.68 1.47 1o7fA1 LYS 66 HE2 0.00 0.02 -0.08 -0.04 2.99 2.89 1o7fA1 LYS 66 HE3 -0.00 -0.01 -0.07 -0.04 2.99 2.87 1o7fA1 GLY 67 H -0.03 0.40 0.01 -0.55 8.43 8.26 1o7fA1 GLY 67 HA2 -0.03 0.05 0.28 -0.51 4.01 3.81 1o7fA1 GLY 67 HA3 -0.02 0.08 0.40 -0.51 4.01 3.97 1o7fA1 ILE 68 H -0.04 0.15 -0.10 -0.55 8.25 7.71 1o7fA1 ILE 68 HA -0.03 0.18 0.81 -0.75 4.18 4.39 1o7fA1 ILE 68 HB -0.05 0.05 0.06 -0.04 1.89 1.91 1o7fA1 ILE 68 HG12 -0.03 -0.05 -0.02 -0.04 1.49 1.35 1o7fA1 ILE 68 HG13 -0.02 0.02 -0.02 -0.04 1.21 1.15 1o7fA1 ILE 68 HG23 -0.05 -0.03 -0.32 -0.04 0.93 0.49 1o7fA1 ILE 68 HD13 -0.02 0.04 -0.30 -0.04 0.88 0.56 1o7fA1 THR 69 H -0.04 0.21 0.11 -0.55 8.28 8.01 1o7fA1 THR 69 HA -0.10 0.17 0.86 -0.75 4.39 4.56 1o7fA1 THR 69 HB -0.03 -0.01 0.14 -0.04 4.32 4.38 1o7fA1 THR 69 HG23 -0.04 -0.01 -0.24 -0.04 1.22 0.89 1o7fA1 LEU 70 H -0.21 0.32 0.24 -0.55 8.37 8.18 1o7fA1 LEU 70 HA -0.09 0.02 0.33 -0.75 4.35 3.85 1o7fA1 LEU 70 HB2 -0.38 0.03 0.09 -0.04 1.64 1.34 1o7fA1 LEU 70 HB3 -0.54 -0.03 -0.05 -0.04 1.64 0.99 1o7fA1 LEU 70 HG -0.28 -0.01 -0.09 -0.04 1.64 1.21 1o7fA1 LEU 70 HD13 -0.87 -0.01 -0.15 -0.04 0.93 -0.14 1o7fA1 LEU 70 HD23 -0.09 0.00 -0.06 -0.04 0.89 0.69 1o7fA1 PHE 71 H -0.38 0.21 0.10 -0.55 8.34 7.72 1o7fA1 PHE 71 HA 0.00 0.19 0.44 -0.75 4.62 4.49 1o7fA1 PHE 71 HB2 0.03 -0.02 0.12 -0.04 3.15 3.24 1o7fA1 PHE 71 HB3 0.04 0.13 -0.03 -0.04 3.06 3.16 1o7fA1 PHE 71 HD2 0.07 0.07 -0.33 -0.04 7.28 7.04 1o7fA1 PHE 71 HE2 0.18 0.08 -0.11 -0.04 7.38 7.48 1o7fA1 PHE 71 HZ 0.23 -0.05 -0.08 -0.04 7.32 7.38 1o7fA1 ARG 72 H 0.23 0.20 0.12 -0.55 8.46 8.46 1o7fA1 ARG 72 HA 0.15 0.11 1.12 -0.75 4.34 4.96 1o7fA1 ARG 72 HB2 0.05 0.01 -0.00 -0.04 1.90 1.92 1o7fA1 ARG 72 HB3 0.05 0.08 -0.04 -0.04 1.80 1.84 1o7fA1 ARG 72 HG2 0.02 0.03 -0.16 -0.04 1.67 1.51 1o7fA1 ARG 72 HG3 0.05 -0.10 -0.42 -0.04 1.67 1.16 1o7fA1 ARG 72 HD2 -0.00 0.01 -0.06 -0.04 3.22 3.13 1o7fA1 ARG 72 HD3 -0.05 0.02 -0.06 -0.04 3.22 3.09 1o7fA1 GLN 73 H 0.11 0.05 -0.09 -0.55 8.47 7.99 1o7fA1 GLN 73 HA 0.10 0.08 0.06 -0.75 4.36 3.85 1o7fA1 GLN 73 HB2 0.10 -0.11 -0.15 -0.04 2.15 1.95 1o7fA1 GLN 73 HB3 0.08 -0.07 -0.00 -0.04 2.02 1.99 1o7fA1 GLN 73 HG2 0.07 0.06 -0.34 -0.04 2.40 2.15 1o7fA1 GLN 73 HG3 0.10 0.13 -0.38 -0.04 2.39 2.20 1o7fA1 GLN 73 HE21 0.06 0.30 0.16 -0.04 6.97 7.46 1o7fA1 GLN 73 HE22 0.07 0.04 -0.00 -0.04 7.69 7.76 1o7fA1 GLY 74 H 0.03 0.67 0.19 -0.55 8.43 8.77 1o7fA1 GLY 74 HA2 0.02 0.04 0.32 -0.51 4.01 3.87 1o7fA1 GLY 74 HA3 0.03 0.12 0.71 -0.51 4.01 4.36 1o7fA1 ASP 75 H 0.01 0.46 -0.09 -0.55 8.40 8.23 1o7fA1 ASP 75 HA -0.01 0.16 0.76 -0.75 4.63 4.79 1o7fA1 ASP 75 HB2 -0.00 -0.03 0.04 -0.04 2.71 2.67 1o7fA1 ASP 75 HB3 -0.01 0.07 0.10 -0.04 2.70 2.81 1o7fA1 ILE 76 H -0.03 0.13 0.18 -0.55 8.25 7.98 1o7fA1 ILE 76 HA -0.07 0.12 0.47 -0.75 4.18 3.95 1o7fA1 ILE 76 HB -0.02 -0.06 0.13 -0.04 1.89 1.90 1o7fA1 ILE 76 HG12 -0.02 -0.04 0.04 -0.04 1.49 1.43 1o7fA1 ILE 76 HG13 -0.02 -0.01 0.04 -0.04 1.21 1.18 1o7fA1 ILE 76 HG23 -0.03 0.04 -0.10 -0.04 0.93 0.80 1o7fA1 ILE 76 HD13 -0.03 0.01 -0.07 -0.04 0.88 0.75 1o7fA1 GLY 77 H -0.12 0.20 0.07 -0.55 8.43 8.03 1o7fA1 GLY 77 HA2 -0.14 0.11 0.65 -0.51 4.01 4.13 1o7fA1 GLY 77 HA3 -0.21 0.01 0.30 -0.51 4.01 3.60 1o7fA1 THR 78 H -0.02 0.02 0.22 -0.55 8.28 7.94 1o7fA1 THR 78 HA -0.02 0.25 1.07 -0.75 4.39 4.94 1o7fA1 THR 78 HB -0.00 -0.05 0.09 -0.04 4.32 4.31 1o7fA1 THR 78 HG23 -0.00 0.03 -0.15 -0.04 1.22 1.06 1o7fA1 ASN 79 H -0.00 0.03 0.20 -0.55 8.53 8.21 1o7fA1 ASN 79 HA -0.12 0.26 1.05 -0.75 4.76 5.19 1o7fA1 ASN 79 HB2 -0.25 -0.05 -0.06 -0.04 2.88 2.48 1o7fA1 ASN 79 HB3 -0.76 0.11 -0.05 -0.04 2.79 2.05 1o7fA1 ASN 79 HD21 -0.02 0.05 -0.17 -0.04 7.03 6.85 1o7fA1 ASN 79 HD22 0.03 -0.10 -0.21 -0.04 7.74 7.41 1o7fA1 TRP 80 H -0.26 0.56 0.35 -0.55 7.97 8.07 1o7fA1 TRP 80 HA -0.42 0.16 0.85 -0.75 4.62 4.46 1o7fA1 TRP 80 HB2 -1.28 -0.01 -0.11 -0.04 3.23 1.79 1o7fA1 TRP 80 HB3 -0.89 -0.02 0.06 -0.04 3.23 2.35 1o7fA1 TRP 80 HD1 -0.41 -0.17 -0.53 -0.04 7.22 6.07 1o7fA1 TRP 80 HE1 0.02 -0.07 -0.18 -0.04 10.20 9.92 1o7fA1 TRP 80 HE3 -0.17 -0.07 -0.22 -0.04 7.59 7.09 1o7fA1 TRP 80 HZ2 0.24 0.01 -0.09 -0.04 7.44 7.55 1o7fA1 TRP 80 HZ3 0.27 -0.00 -0.20 -0.04 7.13 7.15 1o7fA1 TRP 80 HH2 0.65 0.04 -0.15 -0.04 7.19 7.68 1o7fA1 TYR 81 H -1.34 0.60 0.36 -0.55 8.29 7.36 1o7fA1 TYR 81 HA -0.63 0.44 1.24 -0.75 4.56 4.86 1o7fA1 TYR 81 HB2 -1.78 -0.06 -0.09 -0.04 3.06 1.09 1o7fA1 TYR 81 HB3 -0.58 -0.02 -0.04 -0.04 2.98 2.30 1o7fA1 TYR 81 HD2 -0.30 0.03 -0.24 -0.04 7.15 6.60 1o7fA1 TYR 81 HE2 0.10 0.01 -0.17 -0.04 6.85 6.74 1o7fA1 ALA 82 H -0.29 0.44 0.33 -0.55 8.40 8.33 1o7fA1 ALA 82 HA -0.43 0.18 0.81 -0.75 4.34 4.15 1o7fA1 ALA 82 HB3 -0.32 0.01 -0.06 -0.04 1.41 0.99 1o7fA1 VAL 83 H -0.11 0.72 0.20 -0.55 8.24 8.50 1o7fA1 VAL 83 HA -0.00 0.07 0.69 -0.75 4.13 4.13 1o7fA1 VAL 83 HB -0.02 0.00 0.14 -0.04 2.12 2.20 1o7fA1 VAL 83 HG13 0.00 -0.01 -0.45 -0.04 0.97 0.48 1o7fA1 VAL 83 HG23 0.13 0.01 -0.15 -0.04 0.95 0.91 1o7fA1 LEU 84 H 0.02 0.63 0.50 -0.55 8.37 8.97 1o7fA1 LEU 84 HA -0.06 0.10 0.75 -0.75 4.35 4.38 1o7fA1 LEU 84 HB2 0.17 0.01 -0.10 -0.04 1.64 1.68 1o7fA1 LEU 84 HB3 0.08 -0.01 -0.01 -0.04 1.64 1.66 1o7fA1 LEU 84 HG 0.08 0.00 -0.16 -0.04 1.64 1.52 1o7fA1 LEU 84 HD13 0.30 0.00 -0.19 -0.04 0.93 1.00 1o7fA1 LEU 84 HD23 -0.08 0.01 -0.15 -0.04 0.89 0.63 1o7fA1 ALA 85 H 0.04 0.43 0.33 -0.55 8.40 8.65 1o7fA1 ALA 85 HA 0.02 0.11 0.51 -0.75 4.34 4.23 1o7fA1 ALA 85 HB3 0.08 0.03 0.02 -0.04 1.41 1.49 1o7fA1 GLY 86 H 0.03 0.13 0.19 -0.55 8.43 8.24 1o7fA1 GLY 86 HA2 0.03 0.06 0.34 -0.51 4.01 3.94 1o7fA1 GLY 86 HA3 0.02 0.16 0.72 -0.51 4.01 4.40 1o7fA1 SER 87 H 0.00 0.25 0.18 -0.55 8.46 8.35 1o7fA1 SER 87 HA -0.01 0.21 0.57 -0.75 4.49 4.51 1o7fA1 SER 87 HB2 0.01 0.09 0.06 -0.04 3.95 4.07 1o7fA1 SER 87 HB3 0.03 0.07 -0.13 -0.04 3.93 3.87 1o7fA1 LEU 88 H -0.07 0.60 0.35 -0.55 8.37 8.70 1o7fA1 LEU 88 HA -0.10 0.13 1.06 -0.75 4.35 4.69 1o7fA1 LEU 88 HB2 -0.29 -0.03 -0.07 -0.04 1.64 1.20 1o7fA1 LEU 88 HB3 -0.26 0.03 -0.16 -0.04 1.64 1.21 1o7fA1 LEU 88 HG -0.10 0.09 -0.37 -0.04 1.64 1.21 1o7fA1 LEU 88 HD13 -0.06 -0.02 -0.29 -0.04 0.93 0.52 1o7fA1 LEU 88 HD23 -0.20 -0.01 -0.26 -0.04 0.89 0.39 1o7fA1 ASP 89 H -0.12 0.80 0.34 -0.55 8.40 8.88 1o7fA1 ASP 89 HA -0.07 0.20 1.04 -0.75 4.63 5.05 1o7fA1 ASP 89 HB2 -0.08 0.04 0.13 -0.04 2.71 2.77 1o7fA1 ASP 89 HB3 -0.06 -0.01 -0.06 -0.04 2.70 2.53 1o7fA1 VAL 90 H -0.06 0.70 0.37 -0.55 8.24 8.71 1o7fA1 VAL 90 HA -0.11 0.23 0.86 -0.75 4.13 4.35 1o7fA1 VAL 90 HB -0.02 -0.13 0.15 -0.04 2.12 2.07 1o7fA1 VAL 90 HG13 -0.01 0.01 -0.21 -0.04 0.97 0.72 1o7fA1 VAL 90 HG23 -0.14 0.01 -0.19 -0.04 0.95 0.58 1o7fA1 LYS 91 H -0.04 0.87 0.37 -0.55 8.42 9.07 1o7fA1 LYS 91 HA -0.00 0.26 1.06 -0.75 4.32 4.88 1o7fA1 LYS 91 HB2 -0.00 -0.06 -0.02 -0.04 1.87 1.74 1o7fA1 LYS 91 HB3 -0.00 0.03 -0.33 -0.04 1.79 1.45 1o7fA1 LYS 91 HG2 -0.03 -0.07 -0.42 -0.04 1.46 0.90 1o7fA1 LYS 91 HG3 -0.05 0.07 -0.24 -0.04 1.46 1.20 1o7fA1 LYS 91 HD2 -0.02 -0.00 -0.17 -0.04 1.69 1.46 1o7fA1 LYS 91 HD3 -0.02 0.09 -0.26 -0.04 1.68 1.44 1o7fA1 LYS 91 HE2 -0.04 -0.06 -0.15 -0.04 2.99 2.70 1o7fA1 LYS 91 HE3 -0.05 -0.02 -0.13 -0.04 2.99 2.75 1o7fA1 VAL 92 H 0.02 0.61 0.31 -0.55 8.24 8.63 1o7fA1 VAL 92 HA 0.05 0.13 0.98 -0.75 4.13 4.53 1o7fA1 VAL 92 HB 0.03 -0.03 0.04 -0.04 2.12 2.13 1o7fA1 VAL 92 HG13 0.05 0.02 -0.10 -0.04 0.97 0.90 1o7fA1 VAL 92 HG23 0.05 0.01 -0.21 -0.04 0.95 0.76 1o7fA1 SER 93 H 0.05 0.26 0.14 -0.55 8.46 8.36 1o7fA1 SER 93 HA 0.02 0.24 0.82 -0.75 4.49 4.81 1o7fA1 SER 93 HB2 0.03 -0.05 -0.24 -0.04 3.95 3.65 1o7fA1 SER 93 HB3 0.05 0.06 -0.09 -0.04 3.93 3.91 1o7fA1 GLU 94 H 0.02 0.17 0.13 -0.55 8.60 8.37 1o7fA1 GLU 94 HA 0.03 0.21 0.69 -0.75 4.29 4.46 1o7fA1 GLU 94 HB2 0.01 -0.03 0.08 -0.04 2.09 2.11 1o7fA1 GLU 94 HB3 0.02 0.01 0.11 -0.04 1.99 2.09 1o7fA1 GLU 94 HG2 0.03 0.05 -0.00 -0.04 2.34 2.38 1o7fA1 GLU 94 HG3 0.02 -0.02 -0.06 -0.04 2.34 2.24 1o7fA1 THR 95 H 0.02 -0.05 -0.15 -0.55 8.28 7.55 1o7fA1 THR 95 HA 0.02 0.27 0.81 -0.75 4.39 4.74 1o7fA1 THR 95 HB 0.01 -0.05 0.20 -0.04 4.32 4.45 1o7fA1 THR 95 HG23 0.01 0.02 -0.01 -0.04 1.22 1.19 1o7fA1 SER 96 H 0.02 0.09 0.13 -0.55 8.46 8.16 1o7fA1 SER 96 HA 0.04 0.27 0.68 -0.75 4.49 4.72 1o7fA1 SER 96 HB2 0.03 0.02 0.09 -0.04 3.95 4.05 1o7fA1 SER 96 HB3 0.03 0.07 0.02 -0.04 3.93 4.00 1o7fA1 SER 97 H 0.03 -0.01 -0.04 -0.55 8.46 7.88 1o7fA1 SER 97 HA 0.09 0.25 0.89 -0.75 4.49 4.97 1o7fA1 SER 97 HB2 0.03 0.10 0.04 -0.04 3.95 4.07 1o7fA1 SER 97 HB3 0.00 -0.01 0.10 -0.04 3.93 3.99 1o7fA1 HIS 98 H 0.33 0.26 0.12 -0.55 8.41 8.57 1o7fA1 HIS 98 HA 0.01 0.11 0.32 -0.75 4.63 4.33 1o7fA1 HIS 98 HB2 0.01 0.02 0.06 -0.04 3.26 3.31 1o7fA1 HIS 98 HB3 0.01 0.08 0.07 -0.04 3.20 3.33 1o7fA1 HIS 98 HD2 -0.00 0.01 -0.12 -0.04 6.97 6.82 1o7fA1 HIS 98 HE1 0.00 0.02 -0.03 -0.04 7.75 7.70 1o7fA1 GLN 99 H -0.24 -0.01 -0.44 -0.55 8.47 7.23 1o7fA1 GLN 99 HA -0.40 0.13 0.39 -0.75 4.36 3.73 1o7fA1 GLN 99 HB2 -0.12 -0.03 -0.05 -0.04 2.15 1.91 1o7fA1 GLN 99 HB3 -0.14 0.07 0.03 -0.04 2.02 1.93 1o7fA1 GLN 99 HG2 -0.29 -0.13 0.02 -0.04 2.40 1.96 1o7fA1 GLN 99 HG3 -0.09 0.04 -0.00 -0.04 2.39 2.30 1o7fA1 GLN 99 HE21 -0.02 0.03 -0.02 -0.04 6.97 6.92 1o7fA1 GLN 99 HE22 -0.02 -0.00 -0.01 -0.04 7.69 7.61 1o7fA1 ASP 100 H -0.06 0.30 -0.45 -0.55 8.40 7.64 1o7fA1 ASP 100 HA -0.04 0.21 0.61 -0.75 4.63 4.66 1o7fA1 ASP 100 HB2 -0.01 0.04 0.07 -0.04 2.71 2.77 1o7fA1 ASP 100 HB3 -0.01 -0.03 0.17 -0.04 2.70 2.79 1o7fA1 ALA 101 H -0.05 0.35 -0.58 -0.55 8.40 7.58 1o7fA1 ALA 101 HA 0.00 0.13 0.26 -0.75 4.34 3.98 1o7fA1 ALA 101 HB3 0.01 -0.03 -0.16 -0.04 1.41 1.20 1o7fA1 VAL 102 H 0.00 0.55 0.33 -0.55 8.24 8.57 1o7fA1 VAL 102 HA -0.02 0.20 0.94 -0.75 4.13 4.49 1o7fA1 VAL 102 HB -0.02 -0.02 0.07 -0.04 2.12 2.11 1o7fA1 VAL 102 HG13 -0.01 0.04 -0.05 -0.04 0.97 0.90 1o7fA1 VAL 102 HG23 0.01 0.02 -0.06 -0.04 0.95 0.88 1o7fA1 THR 103 H -0.03 0.14 0.11 -0.55 8.28 7.96 1o7fA1 THR 103 HA -0.02 0.14 0.55 -0.75 4.39 4.31 1o7fA1 THR 103 HB -0.04 -0.03 0.10 -0.04 4.32 4.31 1o7fA1 THR 103 HG23 -0.03 -0.01 -0.19 -0.04 1.22 0.95 1o7fA1 ILE 104 H 0.01 0.88 0.53 -0.55 8.25 9.13 1o7fA1 ILE 104 HA 0.06 0.09 0.77 -0.75 4.18 4.35 1o7fA1 ILE 104 HB 0.03 0.02 0.07 -0.04 1.89 1.97 1o7fA1 ILE 104 HG12 0.02 0.07 0.05 -0.04 1.49 1.59 1o7fA1 ILE 104 HG13 0.03 0.00 -0.10 -0.04 1.21 1.10 1o7fA1 ILE 104 HG23 0.06 -0.03 -0.15 -0.04 0.93 0.78 1o7fA1 ILE 104 HD13 0.04 0.00 -0.13 -0.04 0.88 0.75 1o7fA1 CYS 105 H 0.03 0.34 0.35 -0.55 8.50 8.67 1o7fA1 CYS 105 HA 0.17 0.01 0.65 -0.75 4.58 4.66 1o7fA1 CYS 105 HB2 0.16 0.16 0.19 -0.04 2.97 3.44 1o7fA1 CYS 105 HB3 0.19 0.05 0.02 -0.04 2.97 3.19 1o7fA1 THR 106 H 0.14 0.67 0.39 -0.55 8.28 8.93 1o7fA1 THR 106 HA -0.01 0.25 1.16 -0.75 4.39 5.03 1o7fA1 THR 106 HB 0.10 -0.04 0.12 -0.04 4.32 4.46 1o7fA1 THR 106 HG23 0.01 0.03 -0.17 -0.04 1.22 1.04 1o7fA1 LEU 107 H -0.06 0.68 0.36 -0.55 8.37 8.80 1o7fA1 LEU 107 HA 0.03 0.11 0.87 -0.75 4.35 4.61 1o7fA1 LEU 107 HB2 -0.18 -0.05 0.09 -0.04 1.64 1.46 1o7fA1 LEU 107 HB3 -0.05 0.08 -0.10 -0.04 1.64 1.53 1o7fA1 LEU 107 HG 0.02 0.08 -0.06 -0.04 1.64 1.64 1o7fA1 LEU 107 HD13 -0.02 0.02 -0.29 -0.04 0.93 0.60 1o7fA1 LEU 107 HD23 -0.46 -0.01 -0.17 -0.04 0.89 0.20 1o7fA1 GLY 108 H 0.04 0.14 0.11 -0.55 8.43 8.19 1o7fA1 GLY 108 HA2 0.02 0.25 0.98 -0.51 4.01 4.75 1o7fA1 GLY 108 HA3 0.03 0.08 0.27 -0.51 4.01 3.88 1o7fA1 ILE 109 H 0.01 0.14 0.14 -0.55 8.25 7.99 1o7fA1 ILE 109 HA -0.03 0.04 0.26 -0.75 4.18 3.70 1o7fA1 ILE 109 HB -0.02 0.01 0.12 -0.04 1.89 1.96 1o7fA1 ILE 109 HG12 0.01 -0.05 0.18 -0.04 1.49 1.59 1o7fA1 ILE 109 HG13 0.00 0.03 0.10 -0.04 1.21 1.30 1o7fA1 ILE 109 HG23 -0.04 0.02 -0.06 -0.04 0.93 0.81 1o7fA1 ILE 109 HD13 0.01 0.01 -0.01 -0.04 0.88 0.85 1o7fA1 GLY 110 H -0.11 0.56 0.32 -0.55 8.43 8.65 1o7fA1 GLY 110 HA2 -0.23 -0.11 0.48 -0.51 4.01 3.65 1o7fA1 GLY 110 HA3 -0.13 0.15 0.81 -0.51 4.01 4.33 1o7fA1 THR 111 H -0.06 0.49 -0.01 -0.55 8.28 8.15 1o7fA1 THR 111 HA -0.17 0.14 0.82 -0.75 4.39 4.43 1o7fA1 THR 111 HB 0.06 0.07 0.11 -0.04 4.32 4.52 1o7fA1 THR 111 HG23 0.20 -0.01 -0.04 -0.04 1.22 1.33 1o7fA1 ALA 112 H 0.00 0.23 0.26 -0.55 8.40 8.34 1o7fA1 ALA 112 HA -0.31 0.18 1.04 -0.75 4.34 4.50 1o7fA1 ALA 112 HB3 -0.09 0.01 0.08 -0.04 1.41 1.37 1o7fA1 PHE 113 H -0.84 0.58 0.35 -0.55 8.34 7.88 1o7fA1 PHE 113 HA 0.15 0.07 0.58 -0.75 4.62 4.67 1o7fA1 PHE 113 HB2 0.11 -0.06 0.11 -0.04 3.15 3.27 1o7fA1 PHE 113 HB3 0.05 0.19 -0.17 -0.04 3.06 3.08 1o7fA1 PHE 113 HD2 0.07 0.02 -0.39 -0.04 7.28 6.95 1o7fA1 PHE 113 HE2 -0.24 0.01 -0.22 -0.04 7.38 6.90 1o7fA1 PHE 113 HZ -0.43 0.00 -0.20 -0.04 7.32 6.64 1o7fA1 GLY 114 H 0.36 0.18 0.20 -0.55 8.43 8.63 1o7fA1 GLY 114 HA2 0.22 0.03 0.37 -0.51 4.01 4.12 1o7fA1 GLY 114 HA3 0.17 0.25 0.84 -0.51 4.01 4.76 1o7fA1 GLU 115 H 0.27 0.10 0.00 -0.55 8.60 8.43 1o7fA1 GLU 115 HA -0.01 0.14 0.32 -0.75 4.29 3.98 1o7fA1 GLU 115 HB2 -0.22 0.05 0.08 -0.04 2.09 1.96 1o7fA1 GLU 115 HB3 0.20 0.04 -0.00 -0.04 1.99 2.18 1o7fA1 GLU 115 HG2 0.06 0.05 -0.16 -0.04 2.34 2.25 1o7fA1 GLU 115 HG3 0.13 0.08 -0.07 -0.04 2.34 2.45 1o7fA1 SER 116 H -0.04 0.06 -0.53 -0.55 8.46 7.40 1o7fA1 SER 116 HA -0.29 0.13 0.37 -0.75 4.49 3.94 1o7fA1 SER 116 HB2 -0.05 0.07 0.02 -0.04 3.95 3.94 1o7fA1 SER 116 HB3 0.00 -0.01 0.01 -0.04 3.93 3.89 1o7fA1 ILE 117 H -0.14 0.30 -0.45 -0.55 8.25 7.40 1o7fA1 ILE 117 HA -0.09 0.08 0.38 -0.75 4.18 3.79 1o7fA1 ILE 117 HB -0.04 0.00 -0.10 -0.04 1.89 1.71 1o7fA1 ILE 117 HG12 -0.09 0.01 -0.12 -0.04 1.49 1.25 1o7fA1 ILE 117 HG13 0.04 0.03 -0.40 -0.04 1.21 0.83 1o7fA1 ILE 117 HG23 -0.09 0.01 -0.24 -0.04 0.93 0.57 1o7fA1 ILE 117 HD13 -0.12 0.01 -0.40 -0.04 0.88 0.33 1o7fA1 LEU 118 H -0.37 0.41 -0.43 -0.55 8.37 7.44 1o7fA1 LEU 118 HA -0.16 0.03 0.32 -0.75 4.35 3.78 1o7fA1 LEU 118 HB2 -1.03 0.06 0.05 -0.04 1.64 0.67 1o7fA1 LEU 118 HB3 -0.73 0.01 -0.04 -0.04 1.64 0.84 1o7fA1 LEU 118 HG -0.39 -0.03 0.02 -0.04 1.64 1.20 1o7fA1 LEU 118 HD13 -1.67 0.00 -0.02 -0.04 0.93 -0.80 1o7fA1 LEU 118 HD23 -0.60 -0.01 -0.10 -0.04 0.89 0.15 1o7fA1 ASP 119 H -0.09 0.21 -0.31 -0.55 8.40 7.67 1o7fA1 ASP 119 HA 0.05 0.23 0.86 -0.75 4.63 5.02 1o7fA1 ASP 119 HB2 0.10 0.01 0.13 -0.04 2.71 2.90 1o7fA1 ASP 119 HB3 0.19 -0.00 -0.08 -0.04 2.70 2.77 1o7fA1 ASN 120 H -0.03 0.31 -0.37 -0.55 8.53 7.89 1o7fA1 ASN 120 HA -0.03 -0.01 0.31 -0.75 4.76 4.27 1o7fA1 ASN 120 HB2 0.01 0.15 -0.24 -0.04 2.88 2.76 1o7fA1 ASN 120 HB3 -0.01 -0.05 0.21 -0.04 2.79 2.90 1o7fA1 ASN 120 HD21 -0.00 -0.04 0.00 -0.04 7.03 6.95 1o7fA1 ASN 120 HD22 -0.01 -0.03 0.03 -0.04 7.74 7.69 1o7fA1 THR 121 H -0.02 0.38 -0.12 -0.55 8.28 7.97 1o7fA1 THR 121 HA -0.02 0.19 0.68 -0.75 4.39 4.48 1o7fA1 THR 121 HB 0.02 -0.07 0.09 -0.04 4.32 4.32 1o7fA1 THR 121 HG23 -0.12 0.04 -0.14 -0.04 1.22 0.96 1o7fA1 PRO 122 HA -0.09 0.13 0.34 -0.51 4.44 4.31 1o7fA1 PRO 122 HB2 -0.05 -0.01 -0.07 -0.04 2.28 2.11 1o7fA1 PRO 122 HB3 -0.04 0.14 -0.29 -0.04 2.02 1.79 1o7fA1 PRO 122 HG2 -0.01 0.02 0.04 -0.04 2.03 2.03 1o7fA1 PRO 122 HG3 -0.03 0.02 -0.03 -0.04 2.03 1.95 1o7fA1 PRO 122 HD2 -0.03 0.07 0.18 -0.04 3.68 3.85 1o7fA1 PRO 122 HD3 -0.02 0.26 0.28 -0.04 3.65 4.13 1o7fA1 ARG 123 H -0.14 0.70 0.25 -0.55 8.46 8.72 1o7fA1 ARG 123 HA -0.19 -0.03 0.38 -0.75 4.34 3.75 1o7fA1 ARG 123 HB2 -0.02 0.02 0.03 -0.04 1.90 1.90 1o7fA1 ARG 123 HB3 0.02 0.02 0.01 -0.04 1.80 1.81 1o7fA1 ARG 123 HG2 -0.31 0.19 -0.02 -0.04 1.67 1.49 1o7fA1 ARG 123 HG3 -0.68 -0.07 -0.08 -0.04 1.67 0.79 1o7fA1 ARG 123 HD2 -0.77 -0.04 0.02 -0.04 3.22 2.38 1o7fA1 ARG 123 HD3 -0.40 0.05 -0.01 -0.04 3.22 2.82 1o7fA1 HIS 124 H -0.01 0.11 0.20 -0.55 8.41 8.16 1o7fA1 HIS 124 HA 0.04 0.18 0.59 -0.75 4.63 4.69 1o7fA1 HIS 124 HB2 0.07 -0.03 0.06 -0.04 3.26 3.33 1o7fA1 HIS 124 HB3 0.05 -0.02 0.06 -0.04 3.20 3.25 1o7fA1 HIS 124 HD2 0.08 -0.00 0.03 -0.04 6.97 7.03 1o7fA1 HIS 124 HE1 0.02 0.02 0.01 -0.04 7.75 7.76 1o7fA1 ALA 125 H 0.19 0.06 -0.13 -0.55 8.40 7.97 1o7fA1 ALA 125 HA 0.11 0.21 0.79 -0.75 4.34 4.70 1o7fA1 ALA 125 HB3 0.10 0.02 -0.17 -0.04 1.41 1.32 1o7fA1 THR 126 H 0.06 0.83 0.38 -0.55 8.28 9.00 1o7fA1 THR 126 HA 0.10 0.20 0.87 -0.75 4.39 4.80 1o7fA1 THR 126 HB 0.02 0.02 0.16 -0.04 4.32 4.48 1o7fA1 THR 126 HG23 -0.01 0.05 -0.12 -0.04 1.22 1.10 1o7fA1 ILE 127 H -0.36 0.38 0.23 -0.55 8.25 7.95 1o7fA1 ILE 127 HA -0.27 0.35 1.06 -0.75 4.18 4.56 1o7fA1 ILE 127 HB -0.88 -0.12 0.10 -0.04 1.89 0.95 1o7fA1 ILE 127 HG12 -0.79 0.02 -0.21 -0.04 1.49 0.46 1o7fA1 ILE 127 HG13 -0.76 -0.01 -0.14 -0.04 1.21 0.26 1o7fA1 ILE 127 HG23 -0.60 0.00 -0.22 -0.04 0.93 0.07 1o7fA1 ILE 127 HD13 -0.24 0.03 -0.28 -0.04 0.88 0.34 1o7fA1 VAL 128 H -0.18 0.61 0.31 -0.55 8.24 8.42 1o7fA1 VAL 128 HA -0.14 0.24 1.10 -0.75 4.13 4.58 1o7fA1 VAL 128 HB -0.08 -0.05 0.02 -0.04 2.12 1.97 1o7fA1 VAL 128 HG13 -0.05 0.06 -0.28 -0.04 0.97 0.65 1o7fA1 VAL 128 HG23 -0.07 0.00 -0.29 -0.04 0.95 0.55 1o7fA1 THR 129 H -0.10 0.61 0.29 -0.55 8.28 8.53 1o7fA1 THR 129 HA -0.09 0.09 0.59 -0.75 4.39 4.22 1o7fA1 THR 129 HB -0.04 0.18 0.05 -0.04 4.32 4.46 1o7fA1 THR 129 HG23 -0.08 0.01 -0.01 -0.04 1.22 1.10 1o7fA1 ARG 130 H -0.04 0.74 0.47 -0.55 8.46 9.08 1o7fA1 ARG 130 HA -0.03 0.13 0.70 -0.75 4.34 4.39 1o7fA1 ARG 130 HB2 -0.05 -0.06 -0.11 -0.04 1.90 1.64 1o7fA1 ARG 130 HB3 -0.01 0.02 -0.14 -0.04 1.80 1.63 1o7fA1 ARG 130 HG2 -0.03 0.01 -0.07 -0.04 1.67 1.54 1o7fA1 ARG 130 HG3 -0.05 0.01 0.06 -0.04 1.67 1.64 1o7fA1 ARG 130 HD2 -0.08 -0.03 -0.11 -0.04 3.22 2.95 1o7fA1 ARG 130 HD3 -0.07 -0.01 -0.17 -0.04 3.22 2.93 1o7fA1 GLU 131 H -0.00 0.29 0.14 -0.55 8.60 8.47 1o7fA1 GLU 131 HA 0.02 0.07 0.50 -0.75 4.29 4.12 1o7fA1 GLU 131 HB2 0.04 0.00 0.11 -0.04 2.09 2.20 1o7fA1 GLU 131 HB3 0.09 0.17 0.01 -0.04 1.99 2.22 1o7fA1 GLU 131 HG2 0.08 -0.02 -0.33 -0.04 2.34 2.03 1o7fA1 GLU 131 HG3 0.03 -0.13 -0.06 -0.04 2.34 2.14 1o7fA1 SER 132 H 0.01 0.13 0.16 -0.55 8.46 8.21 1o7fA1 SER 132 HA -0.00 0.11 0.56 -0.75 4.49 4.41 1o7fA1 SER 132 HB2 0.01 -0.05 0.19 -0.04 3.95 4.06 1o7fA1 SER 132 HB3 0.02 -0.01 0.15 -0.04 3.93 4.05 1o7fA1 SER 133 H -0.01 0.87 0.46 -0.55 8.46 9.23 1o7fA1 SER 133 HA 0.02 0.13 0.78 -0.75 4.49 4.67 1o7fA1 SER 133 HB2 -0.03 -0.09 0.02 -0.04 3.95 3.81 1o7fA1 SER 133 HB3 -0.00 0.15 0.14 -0.04 3.93 4.17 1o7fA1 GLU 134 H 0.04 0.56 0.29 -0.55 8.60 8.95 1o7fA1 GLU 134 HA -0.06 0.29 1.13 -0.75 4.29 4.89 1o7fA1 GLU 134 HB2 0.20 -0.10 0.06 -0.04 2.09 2.22 1o7fA1 GLU 134 HB3 0.38 0.08 0.06 -0.04 1.99 2.46 1o7fA1 GLU 134 HG2 0.13 0.06 -0.15 -0.04 2.34 2.33 1o7fA1 GLU 134 HG3 0.12 -0.07 -0.25 -0.04 2.34 2.10 1o7fA1 LEU 135 H -0.10 0.72 0.39 -0.55 8.37 8.84 1o7fA1 LEU 135 HA 0.04 0.17 1.20 -0.75 4.35 5.01 1o7fA1 LEU 135 HB2 0.05 -0.03 -0.05 -0.04 1.64 1.56 1o7fA1 LEU 135 HB3 0.11 0.03 -0.06 -0.04 1.64 1.68 1o7fA1 LEU 135 HG -0.02 -0.06 -0.43 -0.04 1.64 1.08 1o7fA1 LEU 135 HD13 -0.15 -0.01 -0.19 -0.04 0.93 0.54 1o7fA1 LEU 135 HD23 0.03 0.00 -0.18 -0.04 0.89 0.71 1o7fA1 LEU 136 H 0.03 0.57 0.38 -0.55 8.37 8.79 1o7fA1 LEU 136 HA 0.19 0.33 0.98 -0.75 4.35 5.10 1o7fA1 LEU 136 HB2 0.18 -0.00 0.01 -0.04 1.64 1.78 1o7fA1 LEU 136 HB3 0.08 -0.08 0.17 -0.04 1.64 1.77 1o7fA1 LEU 136 HG 0.18 -0.02 -0.23 -0.04 1.64 1.53 1o7fA1 LEU 136 HD13 0.20 0.09 -0.02 -0.04 0.93 1.17 1o7fA1 LEU 136 HD23 0.37 -0.01 -0.12 -0.04 0.89 1.08 1o7fA1 ARG 137 H 0.12 0.53 0.22 -0.55 8.46 8.78 1o7fA1 ARG 137 HA -0.28 0.41 1.24 -0.75 4.34 4.96 1o7fA1 ARG 137 HB2 -0.57 -0.00 -0.02 -0.04 1.90 1.28 1o7fA1 ARG 137 HB3 -0.05 -0.07 -0.20 -0.04 1.80 1.44 1o7fA1 ARG 137 HG2 0.14 0.01 -0.15 -0.04 1.67 1.62 1o7fA1 ARG 137 HG3 0.10 -0.02 -0.31 -0.04 1.67 1.41 1o7fA1 ARG 137 HD2 -0.03 -0.03 -0.16 -0.04 3.22 2.95 1o7fA1 ARG 137 HD3 0.11 -0.02 -0.17 -0.04 3.22 3.10 1o7fA1 ILE 138 H -0.14 0.52 0.31 -0.55 8.25 8.39 1o7fA1 ILE 138 HA 0.13 0.21 0.89 -0.75 4.18 4.66 1o7fA1 ILE 138 HB 0.29 -0.05 0.04 -0.04 1.89 2.12 1o7fA1 ILE 138 HG12 0.15 0.11 -0.14 -0.04 1.49 1.57 1o7fA1 ILE 138 HG13 0.27 -0.05 -0.48 -0.04 1.21 0.91 1o7fA1 ILE 138 HG23 0.20 0.05 -0.17 -0.04 0.93 0.97 1o7fA1 ILE 138 HD13 0.34 -0.00 -0.15 -0.04 0.88 1.02 1o7fA1 GLU 139 H 0.15 0.22 0.14 -0.55 8.60 8.57 1o7fA1 GLU 139 HA 0.01 0.22 0.63 -0.75 4.29 4.39 1o7fA1 GLU 139 HB2 0.11 -0.08 0.11 -0.04 2.09 2.19 1o7fA1 GLU 139 HB3 0.05 0.01 0.17 -0.04 1.99 2.18 1o7fA1 GLU 139 HG2 0.05 0.01 -0.04 -0.04 2.34 2.32 1o7fA1 GLU 139 HG3 0.28 0.07 0.11 -0.04 2.34 2.75 1o7fA1 GLN 140 H 0.02 0.45 0.31 -0.55 8.47 8.70 1o7fA1 GLN 140 HA 0.07 0.04 0.28 -0.75 4.36 4.00 1o7fA1 GLN 140 HB2 0.01 0.17 0.23 -0.04 2.15 2.51 1o7fA1 GLN 140 HB3 0.03 -0.11 0.16 -0.04 2.02 2.06 1o7fA1 GLN 140 HG2 0.03 -0.01 -0.16 -0.04 2.40 2.22 1o7fA1 GLN 140 HG3 0.01 -0.04 -0.07 -0.04 2.39 2.24 1o7fA1 GLN 140 HE21 -0.01 -0.03 0.03 -0.04 6.97 6.92 1o7fA1 GLN 140 HE22 -0.01 0.32 0.07 -0.04 7.69 8.02 1o7fA1 GLU 141 H 0.05 0.12 -0.02 -0.55 8.60 8.20 1o7fA1 GLU 141 HA 0.04 0.10 0.37 -0.75 4.29 4.05 1o7fA1 GLU 141 HB2 0.05 -0.05 0.09 -0.04 2.09 2.13 1o7fA1 GLU 141 HB3 0.04 0.05 -0.06 -0.04 1.99 1.98 1o7fA1 GLU 141 HG2 0.03 0.04 0.04 -0.04 2.34 2.41 1o7fA1 GLU 141 HG3 0.03 -0.02 0.07 -0.04 2.34 2.38 1o7fA1 ASP 142 H 0.08 0.08 -0.25 -0.55 8.40 7.76 1o7fA1 ASP 142 HA 0.04 0.05 0.38 -0.75 4.63 4.35 1o7fA1 ASP 142 HB2 0.11 0.06 0.07 -0.04 2.71 2.90 1o7fA1 ASP 142 HB3 0.06 0.02 -0.03 -0.04 2.70 2.71 1o7fA1 PHE 143 H 0.20 0.64 -0.17 -0.55 8.34 8.45 1o7fA1 PHE 143 HA -0.09 -0.03 0.26 -0.75 4.62 4.01 1o7fA1 PHE 143 HB2 -0.02 0.07 -0.11 -0.04 3.15 3.05 1o7fA1 PHE 143 HB3 -0.09 0.10 -0.04 -0.04 3.06 2.99 1o7fA1 PHE 143 HD2 -0.29 0.01 -0.15 -0.04 7.28 6.80 1o7fA1 PHE 143 HE2 -1.25 0.01 -0.09 -0.04 7.38 6.01 1o7fA1 PHE 143 HZ -1.29 0.00 -0.11 -0.04 7.32 5.89 1o7fA1 LYS 144 H 0.07 0.67 -0.15 -0.55 8.42 8.46 1o7fA1 LYS 144 HA -0.01 -0.00 0.39 -0.75 4.32 3.95 1o7fA1 LYS 144 HB2 0.05 0.08 0.12 -0.04 1.87 2.08 1o7fA1 LYS 144 HB3 0.08 -0.03 -0.01 -0.04 1.79 1.78 1o7fA1 LYS 144 HG2 0.03 0.02 0.07 -0.04 1.46 1.54 1o7fA1 LYS 144 HG3 0.04 0.01 -0.03 -0.04 1.46 1.44 1o7fA1 LYS 144 HD2 0.04 -0.10 -0.09 -0.04 1.69 1.50 1o7fA1 LYS 144 HD3 0.05 -0.02 0.00 -0.04 1.68 1.68 1o7fA1 LYS 144 HE2 0.01 0.32 0.05 -0.04 2.99 3.32 1o7fA1 LYS 144 HE3 0.01 -0.01 -0.07 -0.04 2.99 2.89 1o7fA1 ALA 145 H 0.01 0.50 -0.22 -0.55 8.40 8.14 1o7fA1 ALA 145 HA -0.00 0.01 0.44 -0.75 4.34 4.03 1o7fA1 ALA 145 HB3 0.01 0.03 0.11 -0.04 1.41 1.51 1o7fA1 LEU 146 H -0.05 0.60 -0.05 -0.55 8.37 8.33 1o7fA1 LEU 146 HA 0.07 -0.01 0.33 -0.75 4.35 3.99 1o7fA1 LEU 146 HB2 -0.23 0.14 0.11 -0.04 1.64 1.62 1o7fA1 LEU 146 HB3 -0.20 -0.04 -0.10 -0.04 1.64 1.25 1o7fA1 LEU 146 HG -0.03 0.12 -0.06 -0.04 1.64 1.63 1o7fA1 LEU 146 HD13 -0.08 -0.02 -0.15 -0.04 0.93 0.64 1o7fA1 LEU 146 HD23 -0.11 -0.02 -0.05 -0.04 0.89 0.67 1o7fA1 TRP 147 H -0.14 0.66 -0.15 -0.55 7.97 7.79 1o7fA1 TRP 147 HA -0.28 -0.02 0.27 -0.75 4.62 3.82 1o7fA1 TRP 147 HB2 -0.73 0.02 0.06 -0.04 3.23 2.54 1o7fA1 TRP 147 HB3 -0.32 0.13 0.10 -0.04 3.23 3.09 1o7fA1 TRP 147 HD1 -0.21 -0.04 -0.02 -0.04 7.22 6.90 1o7fA1 TRP 147 HE1 0.01 0.14 -0.01 -0.04 10.20 10.31 1o7fA1 TRP 147 HE3 -0.11 0.07 -0.02 -0.04 7.59 7.49 1o7fA1 TRP 147 HZ2 0.09 0.18 0.10 -0.04 7.44 7.77 1o7fA1 TRP 147 HZ3 0.02 0.02 -0.04 -0.04 7.13 7.09 1o7fA1 TRP 147 HH2 0.09 0.01 -0.03 -0.04 7.19 7.22 1o7fA1 GLU 148 H -0.03 0.51 -0.26 -0.55 8.60 8.28 1o7fA1 GLU 148 HA -0.46 0.02 0.54 -0.75 4.29 3.63 1o7fA1 GLU 148 HB2 -0.09 0.13 0.16 -0.04 2.09 2.26 1o7fA1 GLU 148 HB3 -0.15 -0.08 0.08 -0.04 1.99 1.80 1o7fA1 GLU 148 HG2 -0.16 -0.06 0.05 -0.04 2.34 2.14 1o7fA1 GLU 148 HG3 0.06 0.18 0.11 -0.04 2.34 2.64 1o7fA1 LYS 149 H -0.12 0.42 -0.26 -0.55 8.42 7.91 1o7fA1 LYS 149 HA -0.30 0.12 0.78 -0.75 4.32 4.16 1o7fA1 LYS 149 HB2 -0.17 -0.01 0.04 -0.04 1.87 1.68 1o7fA1 LYS 149 HB3 -0.09 0.07 0.08 -0.04 1.79 1.81 1o7fA1 LYS 149 HG2 -1.37 -0.04 -0.01 -0.04 1.46 0.00 1o7fA1 LYS 149 HG3 -0.46 -0.03 0.12 -0.04 1.46 1.05 1o7fA1 LYS 149 HD2 -0.17 -0.05 -0.01 -0.04 1.69 1.42 1o7fA1 LYS 149 HD3 -0.13 -0.00 -0.01 -0.04 1.68 1.50 1o7fA1 LYS 149 HE2 0.05 0.07 -0.11 -0.04 2.99 2.96 1o7fA1 LYS 149 HE3 0.57 -0.02 -0.07 -0.04 2.99 3.44 1o7fA1 TYR 150 H -0.09 0.39 -0.13 -0.55 8.29 7.90 1o7fA1 TYR 150 HA -0.04 0.11 0.67 -0.75 4.56 4.56 1o7fA1 TYR 150 HB2 -0.23 0.08 -0.03 -0.04 3.06 2.85 1o7fA1 TYR 150 HB3 -0.19 -0.11 0.17 -0.04 2.98 2.81 1o7fA1 TYR 150 HD2 -0.40 0.06 -0.03 -0.04 7.15 6.74 1o7fA1 TYR 150 HE2 -0.35 -0.06 -0.07 -0.04 6.85 6.32 1o7fA1 ARG 151 H -0.21 0.28 -0.06 -0.55 8.46 7.92 1o7fA1 ARG 151 HA -0.17 0.06 0.45 -0.75 4.34 3.92 1o7fA1 ARG 151 HB2 -0.63 0.33 0.25 -0.04 1.90 1.81 1o7fA1 ARG 151 HB3 -0.27 -0.12 0.17 -0.04 1.80 1.54 1o7fA1 ARG 151 HG2 -0.18 -0.07 -0.12 -0.04 1.67 1.27 1o7fA1 ARG 151 HG3 -0.35 0.02 0.06 -0.04 1.67 1.35 1o7fA1 ARG 151 HD2 -0.39 -0.03 0.04 -0.04 3.22 2.79 1o7fA1 ARG 151 HD3 -0.35 0.02 0.01 -0.04 3.22 2.86 1o7fA1 GLN 152 H -0.07 0.16 -0.06 -0.55 8.47 7.95 1o7fA1 GLN 152 HA -0.06 0.04 0.36 -0.75 4.36 3.95 1o7fA1 GLN 152 HB2 -0.19 0.03 0.10 -0.04 2.15 2.05 1o7fA1 GLN 152 HB3 -0.12 0.01 0.11 -0.04 2.02 1.98 1o7fA1 GLN 152 HG2 -0.03 -0.04 -0.06 -0.04 2.40 2.22 1o7fA1 GLN 152 HG3 -0.81 0.06 -0.25 -0.04 2.39 1.34 1o7fA1 GLN 152 HE21 -0.12 -0.00 -0.02 -0.04 6.97 6.78 1o7fA1 GLN 152 HE22 -0.71 0.01 -0.07 -0.04 7.69 6.88 1o7fA1 TYR 153 H 0.24 0.41 -0.63 -0.55 8.29 7.76 1o7fA1 TYR 153 HA 0.11 0.16 0.80 -0.75 4.56 4.88 1o7fA1 TYR 153 HB2 -0.01 0.14 0.14 -0.04 3.06 3.29 1o7fA1 TYR 153 HB3 0.09 -0.00 0.30 -0.04 2.98 3.33 1o7fA1 TYR 153 HD2 0.11 0.06 0.00 -0.04 7.15 7.28 1o7fA1 TYR 153 HE2 0.09 0.02 -0.01 -0.04 6.85 6.91 1o7fA1 MET 154 H 0.13 0.67 0.03 -0.55 8.47 8.76 1o7fA1 MET 154 HA 0.30 0.18 0.96 -0.75 4.52 5.21 1o7fA1 MET 154 HB2 0.23 0.11 0.11 -0.04 2.15 2.55 1o7fA1 MET 154 HB3 0.20 -0.10 0.03 -0.04 2.03 2.12 1o7fA1 MET 154 HG2 -0.14 0.02 -0.12 -0.04 2.63 2.35 1o7fA1 MET 154 HG3 -0.04 0.06 -0.43 -0.04 2.56 2.12 1o7fA1 MET 154 HE3 -0.44 -0.01 -0.11 -0.04 2.10 1.50 1o7fA1 ALA 155 H 0.13 0.39 0.18 -0.55 8.40 8.56 1o7fA1 ALA 155 HA 0.22 0.10 0.39 -0.75 4.34 4.29 1o7fA1 ALA 155 HB3 0.09 0.01 0.08 -0.04 1.41 1.55 1o7fA1 GLY 156 H 0.17 0.04 -0.86 -0.55 8.43 7.24 1o7fA1 GLY 156 HA2 0.11 0.16 0.70 -0.51 4.01 4.48 1o7fA1 GLY 156 HA3 0.12 0.01 0.18 -0.51 4.01 3.80 1o7fA1 LEU 157 H 0.23 0.50 0.04 -0.55 8.37 8.60 1o7fA1 LEU 157 HA 0.25 0.14 0.70 -0.75 4.35 4.69 1o7fA1 LEU 157 HB2 0.29 0.02 0.06 -0.04 1.64 1.98 1o7fA1 LEU 157 HB3 0.34 0.05 0.16 -0.04 1.64 2.15 1o7fA1 LEU 157 HG 0.36 -0.08 -0.15 -0.04 1.64 1.72 1o7fA1 LEU 157 HD13 0.11 -0.00 0.07 -0.04 0.93 1.07 1o7fA1 LEU 157 HD23 0.53 0.01 -0.01 -0.04 0.89 1.39 1o7fA1 LEU 158 H 0.24 0.33 0.01 -0.55 8.37 8.40 1o7fA1 LEU 158 HA 0.26 0.03 0.60 -0.75 4.35 4.49 1o7fA1 LEU 158 HB2 0.24 0.04 -0.27 -0.04 1.64 1.61 1o7fA1 LEU 158 HB3 0.20 -0.02 -0.14 -0.04 1.64 1.64 1o7fA1 LEU 158 HG 0.21 0.07 -0.07 -0.04 1.64 1.81 1o7fA1 LEU 158 HD13 -0.08 0.01 -0.14 -0.04 0.93 0.68 1o7fA1 LEU 158 HD23 0.22 -0.02 -0.14 -0.04 0.89 0.92 1o7fA1 ALA 159 H 0.24 -0.02 0.06 -0.55 8.40 8.13 1o7fA1 ALA 159 HA 0.12 0.22 0.29 -0.75 4.34 4.22 1o7fA1 ALA 159 HB3 0.16 -0.02 -0.02 -0.04 1.41 1.49 1o7fA1 PRO 160 HA -0.02 0.20 0.34 -0.51 4.44 4.46 1o7fA1 PRO 160 HB2 -0.03 -0.05 -0.04 -0.04 2.28 2.12 1o7fA1 PRO 160 HB3 -0.03 0.05 0.05 -0.04 2.02 2.05 1o7fA1 PRO 160 HG2 0.00 -0.05 -0.04 -0.04 2.03 1.90 1o7fA1 PRO 160 HG3 0.02 0.05 -0.54 -0.04 2.03 1.52 1o7fA1 PRO 160 HD2 0.03 -0.01 0.11 -0.04 3.68 3.76 1o7fA1 PRO 160 HD3 0.05 0.31 -0.00 -0.04 3.65 3.97 1o7fA1 PRO 161 HA -0.10 0.10 0.34 -0.51 4.44 4.26 1o7fA1 PRO 161 HB2 -0.14 0.03 0.09 -0.04 2.28 2.22 1o7fA1 PRO 161 HB3 -0.14 -0.00 0.08 -0.04 2.02 1.91 1o7fA1 PRO 161 HG2 -0.84 0.03 -0.10 -0.04 2.03 1.08 1o7fA1 PRO 161 HG3 -0.29 0.03 0.03 -0.04 2.03 1.76 1o7fA1 PRO 161 HD2 -0.84 0.08 0.26 -0.04 3.68 3.14 1o7fA1 PRO 161 HD3 -0.23 0.09 0.15 -0.04 3.65 3.63 1o7fA1 TYR 162 H -0.45 0.33 -0.03 -0.55 8.29 7.59 1o7fA1 TYR 162 HA 0.24 0.09 0.56 -0.75 4.56 4.69 1o7fA1 TYR 162 HB2 -0.12 0.00 -0.13 -0.04 3.06 2.77 1o7fA1 TYR 162 HB3 -0.66 -0.05 0.01 -0.04 2.98 2.25 1o7fA1 TYR 162 HD2 -0.23 0.08 -0.14 -0.04 7.15 6.82 1o7fA1 TYR 162 HE2 -0.05 -0.01 -0.14 -0.04 6.85 6.62 1o7fA1 GLY 163 H 0.14 0.17 -0.47 -0.55 8.43 7.72 1o7fA1 GLY 163 HA2 0.22 0.06 0.73 -0.51 4.01 4.51 1o7fA1 GLY 163 HA3 0.19 0.25 0.14 -0.51 4.01 4.08 1o7fA1 VAL 164 H 0.11 0.59 0.18 -0.55 8.24 8.57 1o7fA1 VAL 164 HA 0.05 0.08 0.76 -0.75 4.13 4.27 1o7fA1 VAL 164 HB 0.06 0.14 0.07 -0.04 2.12 2.34 1o7fA1 VAL 164 HG13 0.03 -0.13 0.10 -0.04 0.97 0.93 1o7fA1 VAL 164 HG23 0.05 -0.01 -0.04 -0.04 0.95 0.90 1o7fA1 MET 165 H 0.02 0.08 0.16 -0.55 8.47 8.18 1o7fA1 MET 165 HA 0.01 0.06 0.47 -0.75 4.52 4.31 1o7fA1 MET 165 HB2 -0.00 -0.02 0.12 -0.04 2.15 2.20 1o7fA1 MET 165 HB3 0.00 -0.03 0.11 -0.04 2.03 2.07 1o7fA1 MET 165 HG2 -0.02 -0.02 -0.04 -0.04 2.63 2.50 1o7fA1 MET 165 HG3 -0.01 0.05 -0.17 -0.04 2.56 2.39 1o7fA1 MET 165 HE3 -0.03 -0.01 -0.05 -0.04 2.10 1.97 1o7fA1 GLU 166 H 0.02 0.07 -0.02 -0.55 8.60 8.12 1o7fA1 GLU 166 HA 0.02 0.35 0.74 -0.75 4.29 4.65 1o7fA1 GLU 166 HB2 0.01 0.04 -0.02 -0.04 2.09 2.08 1o7fA1 GLU 166 HB3 -0.00 -0.03 -0.30 -0.04 1.99 1.62 1o7fA1 GLU 166 HG2 0.01 -0.10 -0.11 -0.04 2.34 2.10 1o7fA1 GLU 166 HG3 0.01 0.03 -0.36 -0.04 2.34 1.97 1o7fA1 THR 167 H 0.02 0.54 0.22 -0.55 8.28 8.52 1o7fA1 THR 167 HA 0.03 0.22 0.75 -0.75 4.39 4.64 1o7fA1 THR 167 HB 0.04 -0.01 0.08 -0.04 4.32 4.39 1o7fA1 THR 167 HG23 0.06 0.04 -0.17 -0.04 1.22 1.11 1o7fA1 VAL 180 HA 0.03 -0.04 0.23 -0.75 4.13 3.59 1o7fA1 VAL 180 HB 0.02 0.05 -0.00 -0.04 2.12 2.15 1o7fA1 VAL 180 HG13 0.02 -0.02 0.04 -0.04 0.97 0.97 1o7fA1 VAL 180 HG23 0.02 -0.03 0.03 -0.04 0.95 0.94 1o7fA1 PRO 181 HA 0.03 0.16 0.69 -0.51 4.44 4.81 1o7fA1 PRO 181 HB2 0.03 -0.02 0.00 -0.04 2.28 2.25 1o7fA1 PRO 181 HB3 0.03 -0.07 0.05 -0.04 2.02 1.99 1o7fA1 PRO 181 HG2 0.03 -0.05 -0.01 -0.04 2.03 1.96 1o7fA1 PRO 181 HG3 0.03 0.20 0.01 -0.04 2.03 2.24 1o7fA1 PRO 181 HD2 0.03 0.02 0.18 -0.04 3.68 3.86 1o7fA1 PRO 181 HD3 0.03 0.13 0.16 -0.04 3.65 3.93 1o7fA1 SER 182 H 0.02 0.05 0.15 -0.55 8.46 8.13 1o7fA1 SER 182 HA 0.02 0.21 0.45 -0.75 4.49 4.41 1o7fA1 SER 182 HB2 0.02 0.20 0.19 -0.04 3.95 4.31 1o7fA1 SER 182 HB3 0.02 -0.13 0.17 -0.04 3.93 3.94 1o7fA1 GLU 183 H 0.01 -0.12 0.26 -0.55 8.60 8.21 1o7fA1 GLU 183 HA 0.02 0.32 0.80 -0.75 4.29 4.67 1o7fA1 GLU 183 HB2 0.01 0.13 -0.03 -0.04 2.09 2.17 1o7fA1 GLU 183 HB3 0.01 -0.05 0.12 -0.04 1.99 2.03 1o7fA1 GLU 183 HG2 0.01 -0.00 0.01 -0.04 2.34 2.32 1o7fA1 GLU 183 HG3 0.01 0.05 -0.01 -0.04 2.34 2.35 1o7fA1 LYS 184 H 0.01 -0.02 0.24 -0.55 8.42 8.10 1o7fA1 LYS 184 HA 0.01 0.00 0.57 -0.75 4.32 4.14 1o7fA1 LYS 184 HB2 0.01 0.05 0.17 -0.04 1.87 2.05 1o7fA1 LYS 184 HB3 0.00 0.02 0.11 -0.04 1.79 1.88 1o7fA1 LYS 184 HG2 -0.00 0.07 0.01 -0.04 1.46 1.50 1o7fA1 LYS 184 HG3 -0.00 -0.02 -0.01 -0.04 1.46 1.39 1o7fA1 LYS 184 HD2 0.00 0.02 0.02 -0.04 1.69 1.70 1o7fA1 LYS 184 HD3 0.00 0.04 0.01 -0.04 1.68 1.69 1o7fA1 LYS 184 HE2 0.00 -0.02 0.04 -0.04 2.99 2.98 1o7fA1 LYS 184 HE3 0.01 0.00 0.10 -0.04 2.99 3.05 1o7fA1 ILE 185 H 0.01 0.06 0.03 -0.55 8.25 7.80 1o7fA1 ILE 185 HA 0.01 0.12 0.41 -0.75 4.18 3.96 1o7fA1 ILE 185 HB 0.02 -0.08 0.08 -0.04 1.89 1.86 1o7fA1 ILE 185 HG12 -0.01 0.04 -0.00 -0.04 1.49 1.48 1o7fA1 ILE 185 HG13 0.00 -0.10 0.06 -0.04 1.21 1.13 1o7fA1 ILE 185 HG23 0.02 0.05 -0.09 -0.04 0.93 0.86 1o7fA1 ILE 185 HD13 0.00 0.08 0.06 -0.04 0.88 0.98 1o7fA1 LEU 186 H 0.02 0.01 -0.81 -0.55 8.37 7.05 1o7fA1 LEU 186 HA 0.04 0.10 0.39 -0.75 4.35 4.13 1o7fA1 LEU 186 HB2 0.03 0.23 -0.15 -0.04 1.64 1.70 1o7fA1 LEU 186 HB3 0.02 0.09 -0.08 -0.04 1.64 1.64 1o7fA1 LEU 186 HG 0.03 -0.08 -0.03 -0.04 1.64 1.53 1o7fA1 LEU 186 HD13 0.04 -0.00 0.03 -0.04 0.93 0.95 1o7fA1 LEU 186 HD23 0.02 0.04 0.00 -0.04 0.89 0.91 1o7fA1 ARG 187 H 0.02 0.22 -0.57 -0.55 8.46 7.58 1o7fA1 ARG 187 HA 0.02 0.09 0.57 -0.75 4.34 4.27 1o7fA1 ARG 187 HB2 0.01 0.14 0.15 -0.04 1.90 2.16 1o7fA1 ARG 187 HB3 0.01 0.11 0.15 -0.04 1.80 2.03 1o7fA1 ARG 187 HG2 0.01 0.00 0.00 -0.04 1.67 1.64 1o7fA1 ARG 187 HG3 0.01 -0.05 -0.09 -0.04 1.67 1.50 1o7fA1 ARG 187 HD2 0.01 -0.02 0.09 -0.04 3.22 3.26 1o7fA1 ARG 187 HD3 0.01 0.04 0.02 -0.04 3.22 3.24 1o7fA1 ALA 188 H 0.02 0.37 -0.08 -0.55 8.40 8.17 1o7fA1 ALA 188 HA 0.01 0.05 0.40 -0.75 4.34 4.05 1o7fA1 ALA 188 HB3 -0.00 0.04 0.05 -0.04 1.41 1.46 1o7fA1 GLY 189 H 0.07 0.37 -0.37 -0.55 8.43 7.95 1o7fA1 GLY 189 HA2 0.25 0.03 0.33 -0.51 4.01 4.11 1o7fA1 GLY 189 HA3 0.17 0.11 0.23 -0.51 4.01 4.01 1o7fA1 LYS 190 H 0.05 0.29 -0.37 -0.55 8.42 7.83 1o7fA1 LYS 190 HA -0.02 -0.01 0.38 -0.75 4.32 3.93 1o7fA1 LYS 190 HB2 0.01 0.17 0.19 -0.04 1.87 2.19 1o7fA1 LYS 190 HB3 -0.01 -0.06 0.02 -0.04 1.79 1.69 1o7fA1 LYS 190 HG2 0.03 0.38 0.24 -0.04 1.46 2.08 1o7fA1 LYS 190 HG3 0.02 -0.04 0.08 -0.04 1.46 1.48 1o7fA1 LYS 190 HD2 0.01 -0.03 0.02 -0.04 1.69 1.65 1o7fA1 LYS 190 HD3 0.02 -0.10 0.03 -0.04 1.68 1.59 1o7fA1 LYS 190 HE2 0.03 0.08 0.04 -0.04 2.99 3.10 1o7fA1 LYS 190 HE3 0.02 -0.00 0.00 -0.04 2.99 2.97 1o7fA1 ILE 191 H 0.01 0.63 -0.04 -0.55 8.25 8.30 1o7fA1 ILE 191 HA -0.01 -0.03 0.38 -0.75 4.18 3.77 1o7fA1 ILE 191 HB 0.02 0.02 0.15 -0.04 1.89 2.03 1o7fA1 ILE 191 HG12 0.01 -0.06 0.04 -0.04 1.49 1.43 1o7fA1 ILE 191 HG13 0.01 0.06 0.08 -0.04 1.21 1.32 1o7fA1 ILE 191 HG23 0.03 -0.00 0.03 -0.04 0.93 0.95 1o7fA1 ILE 191 HD13 0.01 0.08 -0.00 -0.04 0.88 0.92 1o7fA1 LEU 192 H 0.02 0.49 -0.32 -0.55 8.37 8.01 1o7fA1 LEU 192 HA 0.11 0.08 0.64 -0.75 4.35 4.42 1o7fA1 LEU 192 HB2 0.15 0.18 0.12 -0.04 1.64 2.04 1o7fA1 LEU 192 HB3 0.20 -0.03 -0.07 -0.04 1.64 1.69 1o7fA1 LEU 192 HG 0.35 -0.02 -0.01 -0.04 1.64 1.91 1o7fA1 LEU 192 HD13 0.06 0.03 -0.11 -0.04 0.93 0.87 1o7fA1 LEU 192 HD23 -0.15 -0.00 -0.10 -0.04 0.89 0.60 1o7fA1 ARG 193 H -0.29 0.55 -0.02 -0.55 8.46 8.14 1o7fA1 ARG 193 HA -0.88 0.01 0.33 -0.75 4.34 3.05 1o7fA1 ARG 193 HB2 -1.13 -0.01 0.13 -0.04 1.90 0.85 1o7fA1 ARG 193 HB3 -0.33 0.16 0.18 -0.04 1.80 1.77 1o7fA1 ARG 193 HG2 -0.26 0.01 -0.26 -0.04 1.67 1.13 1o7fA1 ARG 193 HG3 -0.48 -0.02 0.01 -0.04 1.67 1.13 1o7fA1 ARG 193 HD2 -0.17 -0.08 -0.04 -0.04 3.22 2.89 1o7fA1 ARG 193 HD3 -0.12 -0.03 -0.04 -0.04 3.22 2.98 1o7fA1 ILE 194 H -0.15 0.40 -0.37 -0.55 8.25 7.58 1o7fA1 ILE 194 HA -0.11 0.09 0.51 -0.75 4.18 3.91 1o7fA1 ILE 194 HB -0.03 -0.07 -0.08 -0.04 1.89 1.67 1o7fA1 ILE 194 HG12 -0.06 0.14 0.07 -0.04 1.49 1.60 1o7fA1 ILE 194 HG13 -0.01 0.10 -0.02 -0.04 1.21 1.23 1o7fA1 ILE 194 HG23 -0.06 0.00 -0.05 -0.04 0.93 0.79 1o7fA1 ILE 194 HD13 -0.01 -0.04 -0.12 -0.04 0.88 0.66 1o7fA1 ALA 195 H -0.03 0.37 -0.22 -0.55 8.40 7.98 1o7fA1 ALA 195 HA 0.09 0.02 0.44 -0.75 4.34 4.14 1o7fA1 ALA 195 HB3 0.29 0.04 0.12 -0.04 1.41 1.82 1o7fA1 ILE 196 H -0.29 0.64 -0.21 -0.55 8.25 7.84 1o7fA1 ILE 196 HA -0.51 -0.00 0.43 -0.75 4.18 3.35 1o7fA1 ILE 196 HB -0.53 0.09 0.04 -0.04 1.89 1.46 1o7fA1 ILE 196 HG12 -2.33 -0.03 -0.05 -0.04 1.49 -0.96 1o7fA1 ILE 196 HG13 -1.71 0.02 -0.05 -0.04 1.21 -0.57 1o7fA1 ILE 196 HG23 -0.47 0.00 -0.23 -0.04 0.93 0.20 1o7fA1 ILE 196 HD13 -0.37 -0.02 -0.16 -0.04 0.88 0.28 1o7fA1 LEU 197 H -0.21 0.50 -0.17 -0.55 8.37 7.95 1o7fA1 LEU 197 HA -0.13 0.04 0.34 -0.75 4.35 3.84 1o7fA1 LEU 197 HB2 -0.12 0.02 0.18 -0.04 1.64 1.68 1o7fA1 LEU 197 HB3 -0.07 -0.05 0.03 -0.04 1.64 1.50 1o7fA1 LEU 197 HG -0.19 0.05 0.05 -0.04 1.64 1.51 1o7fA1 LEU 197 HD13 -0.10 -0.03 -0.03 -0.04 0.93 0.74 1o7fA1 LEU 197 HD23 -0.09 -0.01 0.05 -0.04 0.89 0.81 1o7fA1 SER 198 H -0.04 0.19 -0.70 -0.55 8.46 7.36 1o7fA1 SER 198 HA 0.01 0.05 0.61 -0.75 4.49 4.41 1o7fA1 SER 198 HB2 0.01 -0.02 0.09 -0.04 3.95 3.99 1o7fA1 SER 198 HB3 0.05 0.02 0.24 -0.04 3.93 4.20 1o7fA1 ARG 199 H 0.11 0.67 0.14 -0.55 8.46 8.83 1o7fA1 ARG 199 HA 0.11 0.07 0.59 -0.75 4.34 4.35 1o7fA1 ARG 199 HB2 0.40 0.06 0.13 -0.04 1.90 2.45 1o7fA1 ARG 199 HB3 0.24 -0.05 0.01 -0.04 1.80 1.96 1o7fA1 ARG 199 HG2 0.15 -0.03 0.02 -0.04 1.67 1.76 1o7fA1 ARG 199 HG3 0.11 -0.03 0.01 -0.04 1.67 1.72 1o7fA1 ARG 199 HD2 0.13 -0.11 0.10 -0.04 3.22 3.30 1o7fA1 ARG 199 HD3 0.29 0.14 0.13 -0.04 3.22 3.74 1o7fA1 ALA 200 H 0.04 0.36 -0.05 -0.55 8.40 8.21 1o7fA1 ALA 200 HA 0.20 0.18 0.93 -0.75 4.34 4.89 1o7fA1 ALA 200 HB3 -0.01 -0.03 0.06 -0.04 1.41 1.40 1o7fA1 PRO 201 HA -0.08 0.06 0.39 -0.51 4.44 4.30 1o7fA1 PRO 201 HB2 0.06 -0.08 0.00 -0.04 2.28 2.22 1o7fA1 PRO 201 HB3 -0.00 0.02 0.09 -0.04 2.02 2.09 1o7fA1 PRO 201 HG2 0.04 -0.04 0.01 -0.04 2.03 2.00 1o7fA1 PRO 201 HG3 0.00 0.51 -0.00 -0.04 2.03 2.51 1o7fA1 PRO 201 HD2 0.13 0.04 -0.06 -0.04 3.68 3.75 1o7fA1 PRO 201 HD3 0.06 0.12 -0.97 -0.04 3.65 2.82 1o7fA1 HIS 202 H 0.22 0.09 -0.37 -0.55 8.41 7.81 1o7fA1 HIS 202 HA -0.02 0.09 0.35 -0.75 4.63 4.29 1o7fA1 HIS 202 HB2 -0.00 -0.01 0.03 -0.04 3.26 3.23 1o7fA1 HIS 202 HB3 0.00 -0.02 0.04 -0.04 3.20 3.18 1o7fA1 HIS 202 HD2 0.02 -0.03 -0.20 -0.04 6.97 6.71 1o7fA1 HIS 202 HE1 0.08 0.04 0.01 -0.04 7.75 7.84 1o7fA1 MET 203 H -0.52 0.55 -0.37 -0.55 8.47 7.58 1o7fA1 MET 203 HA -0.21 0.01 0.44 -0.75 4.52 4.00 1o7fA1 MET 203 HB2 -0.39 0.25 0.05 -0.04 2.15 2.02 1o7fA1 MET 203 HB3 -0.25 -0.12 -0.05 -0.04 2.03 1.57 1o7fA1 MET 203 HG2 -0.17 -0.10 -0.01 -0.04 2.63 2.30 1o7fA1 MET 203 HG3 -0.72 -0.02 -0.02 -0.04 2.56 1.75 1o7fA1 MET 203 HE3 -0.15 -0.00 -0.12 -0.04 2.10 1.79 1o7fA1 ILE 204 H -0.15 0.36 -0.24 -0.55 8.25 7.67 1o7fA1 ILE 204 HA -0.09 0.27 0.72 -0.75 4.18 4.33 1o7fA1 ILE 204 HB -0.10 0.04 0.09 -0.04 1.89 1.88 1o7fA1 ILE 204 HG12 -0.01 -0.00 -0.23 -0.04 1.49 1.21 1o7fA1 ILE 204 HG13 -0.15 -0.09 -0.31 -0.04 1.21 0.62 1o7fA1 ILE 204 HG23 -0.03 -0.00 -0.25 -0.04 0.93 0.61 1o7fA1 ILE 204 HD13 -0.19 -0.01 -0.07 -0.04 0.88 0.57 1o7fA1 ARG 205 H -0.10 0.62 0.18 -0.55 8.46 8.61 1o7fA1 ARG 205 HA -0.05 0.02 0.51 -0.75 4.34 4.06 1o7fA1 ARG 205 HB2 -0.04 -0.12 0.15 -0.04 1.90 1.85 1o7fA1 ARG 205 HB3 -0.04 0.19 -0.21 -0.04 1.80 1.70 1o7fA1 ARG 205 HG2 -0.07 0.07 -0.27 -0.04 1.67 1.35 1o7fA1 ARG 205 HG3 -0.09 0.07 -0.39 -0.04 1.67 1.21 1o7fA1 ARG 205 HD2 -0.02 -0.03 -0.02 -0.04 3.22 3.11 1o7fA1 ARG 205 HD3 -0.00 0.00 -0.04 -0.04 3.22 3.14 1o7fA1 ASP 206 H -0.04 0.12 0.19 -0.55 8.40 8.13 1o7fA1 ASP 206 HA -0.05 0.16 0.71 -0.75 4.63 4.69 1o7fA1 ASP 206 HB2 -0.02 -0.00 0.09 -0.04 2.71 2.74 1o7fA1 ASP 206 HB3 -0.02 0.02 -0.05 -0.04 2.70 2.62 1o7fA1 ARG 207 H -0.06 0.83 0.39 -0.55 8.46 9.07 1o7fA1 ARG 207 HA -0.07 0.13 0.85 -0.75 4.34 4.49 1o7fA1 ARG 207 HB2 -0.70 -0.10 -0.04 -0.04 1.90 1.01 1o7fA1 ARG 207 HB3 -0.35 -0.00 0.00 -0.04 1.80 1.41 1o7fA1 ARG 207 HG2 -0.27 0.15 -0.63 -0.04 1.67 0.88 1o7fA1 ARG 207 HG3 -0.43 0.04 -0.06 -0.04 1.67 1.17 1o7fA1 ARG 207 HD2 -0.58 0.08 -0.30 -0.04 3.22 2.39 1o7fA1 ARG 207 HD3 -1.53 -0.12 -0.18 -0.04 3.22 1.34 1o7fA1 LYS 208 H 0.06 0.20 0.14 -0.55 8.42 8.27 1o7fA1 LYS 208 HA 0.19 0.22 0.97 -0.75 4.32 4.93 1o7fA1 LYS 208 HB2 0.09 0.02 0.11 -0.04 1.87 2.05 1o7fA1 LYS 208 HB3 0.10 -0.03 -0.03 -0.04 1.79 1.79 1o7fA1 LYS 208 HG2 0.05 0.01 -0.14 -0.04 1.46 1.34 1o7fA1 LYS 208 HG3 0.04 -0.02 -0.13 -0.04 1.46 1.31 1o7fA1 LYS 208 HD2 0.04 0.01 -0.03 -0.04 1.69 1.67 1o7fA1 LYS 208 HD3 0.04 -0.01 -0.07 -0.04 1.68 1.60 1o7fA1 LYS 208 HE2 0.02 -0.00 -0.10 -0.04 2.99 2.87 1o7fA1 LYS 208 HE3 0.02 0.01 -0.09 -0.04 2.99 2.89 1o7fA1 TYR 209 H 0.40 0.47 0.23 -0.55 8.29 8.85 1o7fA1 TYR 209 HA 0.12 0.25 1.01 -0.75 4.56 5.18 1o7fA1 TYR 209 HB2 0.23 0.03 -0.06 -0.04 3.06 3.22 1o7fA1 TYR 209 HB3 0.44 -0.11 0.16 -0.04 2.98 3.43 1o7fA1 TYR 209 HD2 -0.03 0.02 0.02 -0.04 7.15 7.12 1o7fA1 TYR 209 HE2 -0.12 -0.00 -0.01 -0.04 6.85 6.68 1o7fA1 HIS 210 H 0.16 0.16 0.09 -0.55 8.41 8.27 1o7fA1 HIS 210 HA -0.14 0.25 0.94 -0.75 4.63 4.92 1o7fA1 HIS 210 HB2 -0.33 -0.02 0.15 -0.04 3.26 3.02 1o7fA1 HIS 210 HB3 -0.18 0.04 0.12 -0.04 3.20 3.13 1o7fA1 HIS 210 HD2 -0.19 0.03 0.12 -0.04 6.97 6.89 1o7fA1 HIS 210 HE1 -0.12 -0.01 -0.01 -0.04 7.75 7.57 1o7fA1 LEU 211 H 0.08 0.23 -0.07 -0.55 8.37 8.06 1o7fA1 LEU 211 HA 0.04 0.03 0.27 -0.75 4.35 3.93 1o7fA1 LEU 211 HB2 0.02 0.17 -0.29 -0.04 1.64 1.50 1o7fA1 LEU 211 HB3 0.01 0.01 0.21 -0.04 1.64 1.83 1o7fA1 LEU 211 HG 0.01 0.01 0.03 -0.04 1.64 1.65 1o7fA1 LEU 211 HD13 0.04 -0.01 -0.03 -0.04 0.93 0.89 1o7fA1 LEU 211 HD23 -0.01 0.01 -0.05 -0.04 0.89 0.80 1o7fA1 LYS 212 H 0.10 -0.08 -0.58 -0.55 8.42 7.31 1o7fA1 LYS 212 HA -0.03 0.21 0.78 -0.75 4.32 4.52 1o7fA1 LYS 212 HB2 0.02 0.17 -0.12 -0.04 1.87 1.91 1o7fA1 LYS 212 HB3 0.12 -0.20 -0.03 -0.04 1.79 1.63 1o7fA1 LYS 212 HG2 -0.45 0.02 -0.14 -0.04 1.46 0.85 1o7fA1 LYS 212 HG3 -0.15 0.05 0.05 -0.04 1.46 1.38 1o7fA1 LYS 212 HD2 -0.00 0.02 -0.02 -0.04 1.69 1.65 1o7fA1 LYS 212 HD3 -0.18 -0.07 -0.08 -0.04 1.68 1.31 1o7fA1 LYS 212 HE2 -0.08 0.00 -0.03 -0.04 2.99 2.84 1o7fA1 LYS 212 HE3 -0.44 0.04 -0.05 -0.04 2.99 2.50 1o7fA1 THR 213 H -0.12 0.25 0.11 -0.55 8.28 7.97 1o7fA1 THR 213 HA 0.08 0.25 1.18 -0.75 4.39 5.14 1o7fA1 THR 213 HB 0.01 -0.01 -0.14 -0.04 4.32 4.14 1o7fA1 THR 213 HG23 -0.04 0.00 0.05 -0.04 1.22 1.18 1o7fA1 TYR 214 H 0.31 0.80 0.34 -0.55 8.29 9.19 1o7fA1 TYR 214 HA 0.01 0.14 0.84 -0.75 4.56 4.79 1o7fA1 TYR 214 HB2 -0.07 -0.02 0.15 -0.04 3.06 3.09 1o7fA1 TYR 214 HB3 0.02 0.08 0.01 -0.04 2.98 3.06 1o7fA1 TYR 214 HD2 0.13 0.13 -0.02 -0.04 7.15 7.36 1o7fA1 TYR 214 HE2 0.17 -0.07 -0.07 -0.04 6.85 6.84 1o7fA1 ARG 215 H 0.01 0.20 0.14 -0.55 8.46 8.26 1o7fA1 ARG 215 HA -0.02 -0.04 0.62 -0.75 4.34 4.15 1o7fA1 ARG 215 HB2 -0.02 -0.03 0.03 -0.04 1.90 1.84 1o7fA1 ARG 215 HB3 -0.01 0.04 0.10 -0.04 1.80 1.89 1o7fA1 ARG 215 HG2 -0.01 0.15 -0.44 -0.04 1.67 1.33 1o7fA1 ARG 215 HG3 -0.01 -0.10 -0.04 -0.04 1.67 1.47 1o7fA1 ARG 215 HD2 -0.01 -0.07 -0.03 -0.04 3.22 3.07 1o7fA1 ARG 215 HD3 -0.01 -0.00 -0.05 -0.04 3.22 3.11 1o7fA1 GLN 216 H -0.03 0.00 -0.07 -0.55 8.47 7.82 1o7fA1 GLN 216 HA -0.05 -0.08 0.06 -0.75 4.36 3.55 1o7fA1 GLN 216 HB2 -0.01 0.15 -0.13 -0.04 2.15 2.12 1o7fA1 GLN 216 HB3 -0.01 -0.01 0.09 -0.04 2.02 2.04 1o7fA1 GLN 216 HG2 -0.02 -0.14 -0.01 -0.04 2.40 2.19 1o7fA1 GLN 216 HG3 -0.01 0.13 -0.04 -0.04 2.39 2.43 1o7fA1 GLN 216 HE21 -0.03 0.08 0.06 -0.04 6.97 7.04 1o7fA1 GLN 216 HE22 -0.03 -0.13 0.06 -0.04 7.69 7.56 1o7fA1 CYS 217 H -0.12 0.36 -0.14 -0.55 8.50 8.05 1o7fA1 CYS 217 HA -0.04 0.20 1.13 -0.75 4.58 5.12 1o7fA1 CYS 217 HB2 -0.10 -0.02 0.13 -0.04 2.97 2.93 1o7fA1 CYS 217 HB3 -0.05 0.07 -0.18 -0.04 2.97 2.77 1o7fA1 CYS 218 H -0.07 0.70 0.44 -0.55 8.50 9.03 1o7fA1 CYS 218 HA -0.12 0.46 1.00 -0.75 4.58 5.17 1o7fA1 CYS 218 HB2 -0.09 -0.10 -0.06 -0.04 2.97 2.68 1o7fA1 CYS 218 HB3 -0.11 -0.08 0.05 -0.04 2.97 2.79 1o7fA1 VAL 219 H -0.07 0.22 0.18 -0.55 8.24 8.01 1o7fA1 VAL 219 HA -0.01 0.38 1.08 -0.75 4.13 4.82 1o7fA1 VAL 219 HB -0.00 -0.06 0.13 -0.04 2.12 2.15 1o7fA1 VAL 219 HG13 -0.03 -0.05 -0.02 -0.04 0.97 0.84 1o7fA1 VAL 219 HG23 -0.14 0.05 -0.14 -0.04 0.95 0.68 1o7fA1 GLY 220 H 0.03 0.62 0.41 -0.55 8.43 8.95 1o7fA1 GLY 220 HA2 -0.01 0.02 0.37 -0.51 4.01 3.88 1o7fA1 GLY 220 HA3 -0.10 0.17 0.59 -0.51 4.01 4.16 1o7fA1 THR 221 H 0.00 0.42 -0.02 -0.55 8.28 8.13 1o7fA1 THR 221 HA 0.06 0.01 0.32 -0.75 4.39 4.03 1o7fA1 THR 221 HB 0.07 0.03 -0.05 -0.04 4.32 4.33 1o7fA1 THR 221 HG23 0.03 0.02 -0.25 -0.04 1.22 0.98 1o7fA1 GLU 222 H 0.05 0.23 -0.37 -0.55 8.60 7.96 1o7fA1 GLU 222 HA 0.12 0.06 0.49 -0.75 4.29 4.21 1o7fA1 GLU 222 HB2 0.07 -0.05 0.06 -0.04 2.09 2.14 1o7fA1 GLU 222 HB3 0.02 0.05 0.12 -0.04 1.99 2.13 1o7fA1 GLU 222 HG2 0.05 0.03 -0.03 -0.04 2.34 2.35 1o7fA1 GLU 222 HG3 0.14 -0.04 0.08 -0.04 2.34 2.48 1o7fA1 LEU 223 H -0.01 0.54 -0.08 -0.55 8.37 8.27 1o7fA1 LEU 223 HA 0.06 0.07 0.44 -0.75 4.35 4.16 1o7fA1 LEU 223 HB2 -0.44 0.12 0.09 -0.04 1.64 1.36 1o7fA1 LEU 223 HB3 -1.80 -0.02 -0.08 -0.04 1.64 -0.30 1o7fA1 LEU 223 HG -0.24 0.02 -0.12 -0.04 1.64 1.26 1o7fA1 LEU 223 HD13 -0.51 -0.02 -0.23 -0.04 0.93 0.13 1o7fA1 LEU 223 HD23 -0.57 0.01 -0.10 -0.04 0.89 0.18 1o7fA1 VAL 224 H 0.17 0.47 -0.09 -0.55 8.24 8.24 1o7fA1 VAL 224 HA 0.57 0.03 0.33 -0.75 4.13 4.31 1o7fA1 VAL 224 HB 0.19 0.11 0.14 -0.04 2.12 2.51 1o7fA1 VAL 224 HG13 0.18 -0.01 -0.11 -0.04 0.97 0.99 1o7fA1 VAL 224 HG23 0.36 0.01 -0.09 -0.04 0.95 1.19 1o7fA1 ASP 225 H 0.20 0.56 -0.14 -0.55 8.40 8.48 1o7fA1 ASP 225 HA 0.14 -0.03 0.30 -0.75 4.63 4.29 1o7fA1 ASP 225 HB2 0.19 0.07 0.17 -0.04 2.71 3.10 1o7fA1 ASP 225 HB3 0.16 -0.01 -0.05 -0.04 2.70 2.76 1o7fA1 TRP 226 H 0.42 0.58 -0.23 -0.55 7.97 8.19 1o7fA1 TRP 226 HA 0.10 -0.00 0.36 -0.75 4.62 4.33 1o7fA1 TRP 226 HB2 0.10 0.03 0.12 -0.04 3.23 3.44 1o7fA1 TRP 226 HB3 0.22 0.06 0.12 -0.04 3.23 3.59 1o7fA1 TRP 226 HD1 0.07 -0.00 -0.03 -0.04 7.22 7.22 1o7fA1 TRP 226 HE1 0.04 -0.01 -0.08 -0.04 10.20 10.11 1o7fA1 TRP 226 HE3 0.39 0.08 -0.21 -0.04 7.59 7.80 1o7fA1 TRP 226 HZ2 0.03 0.00 -0.24 -0.04 7.44 7.19 1o7fA1 TRP 226 HZ3 0.08 -0.02 -0.08 -0.04 7.13 7.07 1o7fA1 TRP 226 HH2 0.03 -0.02 -0.04 -0.04 7.19 7.12 1o7fA1 MET 227 H 0.58 0.62 -0.16 -0.55 8.47 8.96 1o7fA1 MET 227 HA -0.11 -0.03 0.35 -0.75 4.52 3.98 1o7fA1 MET 227 HB2 0.39 -0.03 0.05 -0.04 2.15 2.53 1o7fA1 MET 227 HB3 0.28 0.03 0.12 -0.04 2.03 2.43 1o7fA1 MET 227 HG2 -0.08 0.03 -0.25 -0.04 2.63 2.29 1o7fA1 MET 227 HG3 -0.17 -0.01 -0.02 -0.04 2.56 2.32 1o7fA1 MET 227 HE3 -1.01 -0.01 -0.10 -0.04 2.10 0.95 1o7fA1 ILE 228 H 0.10 0.49 -0.17 -0.55 8.25 8.12 1o7fA1 ILE 228 HA -0.04 0.05 0.19 -0.75 4.18 3.63 1o7fA1 ILE 228 HB 0.04 0.07 0.06 -0.04 1.89 2.02 1o7fA1 ILE 228 HG12 0.05 0.02 -0.11 -0.04 1.49 1.40 1o7fA1 ILE 228 HG13 0.11 0.17 0.00 -0.04 1.21 1.45 1o7fA1 ILE 228 HG23 -0.01 0.07 -0.16 -0.04 0.93 0.79 1o7fA1 ILE 228 HD13 0.07 -0.08 -0.27 -0.04 0.88 0.57 1o7fA1 GLN 229 H -0.07 0.38 -0.18 -0.55 8.47 8.05 1o7fA1 GLN 229 HA -0.09 -0.02 0.40 -0.75 4.36 3.90 1o7fA1 GLN 229 HB2 -0.06 -0.10 0.06 -0.04 2.15 2.01 1o7fA1 GLN 229 HB3 -0.03 -0.01 0.07 -0.04 2.02 2.01 1o7fA1 GLN 229 HG2 -0.27 0.23 0.06 -0.04 2.40 2.38 1o7fA1 GLN 229 HG3 -0.19 -0.05 -0.29 -0.04 2.39 1.82 1o7fA1 GLN 229 HE21 0.21 -0.05 -0.07 -0.04 6.97 7.02 1o7fA1 GLN 229 HE22 0.10 0.01 -0.07 -0.04 7.69 7.69 1o7fA1 GLN 230 H -0.44 0.38 -0.36 -0.55 8.47 7.49 1o7fA1 GLN 230 HA -0.35 -0.06 0.31 -0.75 4.36 3.50 1o7fA1 GLN 230 HB2 -0.57 0.25 0.10 -0.04 2.15 1.88 1o7fA1 GLN 230 HB3 -0.47 -0.31 0.20 -0.04 2.02 1.39 1o7fA1 GLN 230 HG2 -1.91 0.50 0.04 -0.04 2.40 0.99 1o7fA1 GLN 230 HG3 -2.35 -0.12 -0.03 -0.04 2.39 -0.15 1o7fA1 GLN 230 HE21 -0.25 -0.05 -0.09 -0.04 6.97 6.54 1o7fA1 GLN 230 HE22 -1.32 0.11 -0.03 -0.04 7.69 6.41 1o7fA1 THR 231 H -0.22 0.00 0.09 -0.55 8.28 7.61 1o7fA1 THR 231 HA -0.10 0.02 0.38 -0.75 4.39 3.93 1o7fA1 THR 231 HB -0.09 0.00 0.06 -0.04 4.32 4.25 1o7fA1 THR 231 HG23 -0.05 -0.02 0.05 -0.04 1.22 1.16 1o7fA1 SER 232 H -0.07 0.02 0.13 -0.55 8.46 7.99 1o7fA1 SER 232 HA -0.06 -0.07 0.43 -0.75 4.49 4.03 1o7fA1 SER 232 HB2 -0.02 -0.04 -0.04 -0.04 3.95 3.80 1o7fA1 SER 232 HB3 -0.05 0.29 0.15 -0.04 3.93 4.28 1o7fA1 CYS 233 H -0.13 0.03 0.09 -0.55 8.50 7.94 1o7fA1 CYS 233 HA -0.11 0.61 0.66 -0.75 4.58 4.99 1o7fA1 CYS 233 HB2 -0.18 -0.06 0.08 -0.04 2.97 2.77 1o7fA1 CYS 233 HB3 -0.14 0.08 0.14 -0.04 2.97 3.01 1o7fA1 VAL 234 H -0.04 0.01 -0.68 -0.55 8.24 6.98 1o7fA1 VAL 234 HA 0.15 -0.01 0.24 -0.75 4.13 3.75 1o7fA1 VAL 234 HB -0.00 0.15 -0.15 -0.04 2.12 2.08 1o7fA1 VAL 234 HG13 0.01 -0.06 0.01 -0.04 0.97 0.89 1o7fA1 VAL 234 HG23 -0.06 0.13 -0.10 -0.04 0.95 0.88 1o7fA1 HIS 235 H -0.20 -0.07 -1.69 -0.55 8.41 5.91 1o7fA1 HIS 235 HA 0.00 -0.00 0.23 -0.75 4.63 4.10 1o7fA1 HIS 235 HB2 0.01 0.17 -0.08 -0.04 3.26 3.31 1o7fA1 HIS 235 HB3 0.01 -0.04 0.00 -0.04 3.20 3.13 1o7fA1 HIS 235 HD2 0.00 0.01 -0.04 -0.04 6.97 6.89 1o7fA1 HIS 235 HE1 -0.02 0.00 -0.08 -0.04 7.75 7.61 1o7fA1 SER 236 H 0.09 0.48 -0.40 -0.55 8.46 8.08 1o7fA1 SER 236 HA 0.06 0.17 0.71 -0.75 4.49 4.68 1o7fA1 SER 236 HB2 0.07 -0.15 0.16 -0.04 3.95 3.99 1o7fA1 SER 236 HB3 0.08 0.20 -0.19 -0.04 3.93 3.98 1o7fA1 ARG 237 H 0.07 0.18 0.15 -0.55 8.46 8.31 1o7fA1 ARG 237 HA 0.12 0.19 0.50 -0.75 4.34 4.40 1o7fA1 ARG 237 HB2 0.08 -0.04 0.13 -0.04 1.90 2.03 1o7fA1 ARG 237 HB3 0.11 0.02 0.03 -0.04 1.80 1.91 1o7fA1 ARG 237 HG2 0.09 0.08 -0.04 -0.04 1.67 1.75 1o7fA1 ARG 237 HG3 0.07 -0.01 0.05 -0.04 1.67 1.74 1o7fA1 ARG 237 HD2 0.06 0.05 0.00 -0.04 3.22 3.28 1o7fA1 ARG 237 HD3 0.06 -0.02 0.03 -0.04 3.22 3.25 1o7fA1 THR 238 H 0.10 0.11 0.00 -0.55 8.28 7.93 1o7fA1 THR 238 HA 0.18 0.07 0.33 -0.75 4.39 4.21 1o7fA1 THR 238 HB 0.20 0.08 -0.04 -0.04 4.32 4.52 1o7fA1 THR 238 HG23 0.09 0.00 0.04 -0.04 1.22 1.31 1o7fA1 GLN 239 H 0.09 0.09 -0.34 -0.55 8.47 7.76 1o7fA1 GLN 239 HA 0.09 0.05 0.33 -0.75 4.36 4.08 1o7fA1 GLN 239 HB2 0.05 -0.05 0.07 -0.04 2.15 2.19 1o7fA1 GLN 239 HB3 0.06 0.18 0.08 -0.04 2.02 2.29 1o7fA1 GLN 239 HG2 -0.01 -0.02 -0.16 -0.04 2.40 2.17 1o7fA1 GLN 239 HG3 0.01 -0.02 0.05 -0.04 2.39 2.38 1o7fA1 GLN 239 HE21 -0.00 -0.06 -0.02 -0.04 6.97 6.84 1o7fA1 GLN 239 HE22 -0.02 -0.02 0.00 -0.04 7.69 7.61 1o7fA1 ALA 240 H 0.08 0.26 -0.39 -0.55 8.40 7.79 1o7fA1 ALA 240 HA -0.06 0.05 0.35 -0.75 4.34 3.91 1o7fA1 ALA 240 HB3 0.18 0.06 0.12 -0.04 1.41 1.73 1o7fA1 VAL 241 H 0.12 0.48 -0.16 -0.55 8.24 8.13 1o7fA1 VAL 241 HA 0.42 -0.03 0.31 -0.75 4.13 4.07 1o7fA1 VAL 241 HB 0.02 0.16 0.15 -0.04 2.12 2.40 1o7fA1 VAL 241 HG13 0.08 -0.01 -0.18 -0.04 0.97 0.81 1o7fA1 VAL 241 HG23 0.19 0.00 -0.08 -0.04 0.95 1.03 1o7fA1 GLY 242 H -0.27 0.49 -0.17 -0.55 8.43 7.93 1o7fA1 GLY 242 HA2 -0.41 0.00 0.34 -0.51 4.01 3.43 1o7fA1 GLY 242 HA3 -0.25 0.08 0.23 -0.51 4.01 3.56 1o7fA1 MET 243 H -0.14 0.50 -0.20 -0.55 8.47 8.08 1o7fA1 MET 243 HA -0.16 0.07 0.41 -0.75 4.52 4.08 1o7fA1 MET 243 HB2 -0.35 0.10 0.08 -0.04 2.15 1.93 1o7fA1 MET 243 HB3 -0.34 -0.08 -0.06 -0.04 2.03 1.51 1o7fA1 MET 243 HG2 -0.13 0.15 -0.23 -0.04 2.63 2.38 1o7fA1 MET 243 HG3 -0.11 0.22 0.05 -0.04 2.56 2.68 1o7fA1 MET 243 HE3 -0.21 -0.02 -0.08 -0.04 2.10 1.75 1o7fA1 TRP 244 H -0.19 0.53 -0.22 -0.55 7.97 7.55 1o7fA1 TRP 244 HA -0.35 0.05 0.47 -0.75 4.62 4.03 1o7fA1 TRP 244 HB2 -1.30 0.11 0.05 -0.04 3.23 2.05 1o7fA1 TRP 244 HB3 -1.66 -0.09 -0.10 -0.04 3.23 1.35 1o7fA1 TRP 244 HD1 -0.15 0.01 -0.29 -0.04 7.22 6.74 1o7fA1 TRP 244 HE1 0.09 0.09 -0.53 -0.04 10.20 9.81 1o7fA1 TRP 244 HE3 -0.31 -0.05 -0.04 -0.04 7.59 7.14 1o7fA1 TRP 244 HZ2 0.35 0.12 -0.05 -0.04 7.44 7.82 1o7fA1 TRP 244 HZ3 0.15 -0.02 -0.11 -0.04 7.13 7.12 1o7fA1 TRP 244 HH2 0.14 0.01 -0.11 -0.04 7.19 7.19 1o7fA1 GLN 245 H -0.11 0.60 -0.16 -0.55 8.47 8.26 1o7fA1 GLN 245 HA 0.01 -0.06 0.39 -0.75 4.36 3.94 1o7fA1 GLN 245 HB2 0.02 0.02 0.11 -0.04 2.15 2.25 1o7fA1 GLN 245 HB3 -0.06 0.23 0.13 -0.04 2.02 2.28 1o7fA1 GLN 245 HG2 0.02 0.08 -0.12 -0.04 2.40 2.35 1o7fA1 GLN 245 HG3 0.01 -0.01 -0.22 -0.04 2.39 2.13 1o7fA1 GLN 245 HE21 0.08 0.40 0.19 -0.04 6.97 7.60 1o7fA1 GLN 245 HE22 0.03 0.02 0.01 -0.04 7.69 7.72 1o7fA1 VAL 246 H -0.08 0.45 -0.36 -0.55 8.24 7.71 1o7fA1 VAL 246 HA -0.02 0.01 0.33 -0.75 4.13 3.70 1o7fA1 VAL 246 HB -0.09 0.29 0.09 -0.04 2.12 2.37 1o7fA1 VAL 246 HG13 -0.03 -0.04 -0.15 -0.04 0.97 0.71 1o7fA1 VAL 246 HG23 -0.05 0.03 -0.07 -0.04 0.95 0.82 1o7fA1 LEU 247 H -0.04 0.39 -0.46 -0.55 8.37 7.72 1o7fA1 LEU 247 HA 0.01 0.02 0.57 -0.75 4.35 4.21 1o7fA1 LEU 247 HB2 0.05 0.17 0.07 -0.04 1.64 1.90 1o7fA1 LEU 247 HB3 0.06 -0.12 -0.04 -0.04 1.64 1.50 1o7fA1 LEU 247 HG -0.04 0.17 0.04 -0.04 1.64 1.77 1o7fA1 LEU 247 HD13 0.23 -0.02 -0.10 -0.04 0.93 1.00 1o7fA1 LEU 247 HD23 0.01 -0.02 -0.10 -0.04 0.89 0.74 1o7fA1 LEU 248 H -0.02 0.39 0.03 -0.55 8.37 8.22 1o7fA1 LEU 248 HA 0.02 0.36 0.60 -0.75 4.35 4.57 1o7fA1 LEU 248 HB2 -0.04 -0.11 -0.01 -0.04 1.64 1.45 1o7fA1 LEU 248 HB3 0.04 -0.03 0.08 -0.04 1.64 1.69 1o7fA1 LEU 248 HG 0.11 0.14 0.14 -0.04 1.64 1.99 1o7fA1 LEU 248 HD13 0.20 -0.06 -0.28 -0.04 0.93 0.75 1o7fA1 LEU 248 HD23 0.11 -0.01 -0.40 -0.04 0.89 0.55 1o7fA1 GLU 249 H 0.02 0.59 -0.11 -0.55 8.60 8.55 1o7fA1 GLU 249 HA 0.05 0.18 0.63 -0.75 4.29 4.39 1o7fA1 GLU 249 HB2 0.04 -0.02 0.08 -0.04 2.09 2.15 1o7fA1 GLU 249 HB3 0.03 0.00 0.08 -0.04 1.99 2.06 1o7fA1 GLU 249 HG2 0.01 0.09 0.05 -0.04 2.34 2.45 1o7fA1 GLU 249 HG3 0.03 0.02 -0.19 -0.04 2.34 2.15 1o7fA1 ASP 250 H 0.02 0.21 -0.29 -0.55 8.40 7.80 1o7fA1 ASP 250 HA 0.03 0.19 0.59 -0.75 4.63 4.69 1o7fA1 ASP 250 HB2 0.02 0.10 0.15 -0.04 2.71 2.94 1o7fA1 ASP 250 HB3 0.02 -0.03 0.09 -0.04 2.70 2.74 1o7fA1 GLY 251 H 0.04 0.20 -0.76 -0.55 8.43 7.36 1o7fA1 GLY 251 HA2 0.04 0.12 0.16 -0.51 4.01 3.81 1o7fA1 GLY 251 HA3 0.04 0.12 0.31 -0.51 4.01 3.97 1o7fA1 VAL 252 H 0.03 0.30 -0.17 -0.55 8.24 7.86 1o7fA1 VAL 252 HA 0.05 0.12 0.60 -0.75 4.13 4.14 1o7fA1 VAL 252 HB 0.11 -0.13 0.08 -0.04 2.12 2.14 1o7fA1 VAL 252 HG13 0.05 0.04 -0.15 -0.04 0.97 0.87 1o7fA1 VAL 252 HG23 0.06 0.07 -0.02 -0.04 0.95 1.02 1o7fA1 LEU 253 H -0.00 0.35 -0.29 -0.55 8.37 7.88 1o7fA1 LEU 253 HA -0.20 0.25 0.69 -0.75 4.35 4.33 1o7fA1 LEU 253 HB2 -0.21 -0.05 -0.21 -0.04 1.64 1.13 1o7fA1 LEU 253 HB3 -0.10 -0.05 -0.18 -0.04 1.64 1.26 1o7fA1 LEU 253 HG -0.22 -0.01 -0.37 -0.04 1.64 1.00 1o7fA1 LEU 253 HD13 -0.90 0.03 -0.32 -0.04 0.93 -0.30 1o7fA1 LEU 253 HD23 -0.42 -0.01 -0.15 -0.04 0.89 0.27 1o7fA1 ASN 254 H -0.01 0.58 0.12 -0.55 8.53 8.67 1o7fA1 ASN 254 HA 0.13 0.24 1.03 -0.75 4.76 5.40 1o7fA1 ASN 254 HB2 0.04 0.00 -0.11 -0.04 2.88 2.77 1o7fA1 ASN 254 HB3 0.07 0.08 -0.11 -0.04 2.79 2.79 1o7fA1 ASN 254 HD21 0.04 0.34 -0.17 -0.04 7.03 7.20 1o7fA1 ASN 254 HD22 0.03 -0.02 -0.22 -0.04 7.74 7.49 1o7fA1 HIS 255 H 0.28 0.29 0.04 -0.55 8.41 8.48 1o7fA1 HIS 255 HA -0.20 0.11 0.51 -0.75 4.63 4.30 1o7fA1 HIS 255 HB2 0.15 0.11 0.05 -0.04 3.26 3.53 1o7fA1 HIS 255 HB3 0.03 -0.00 0.02 -0.04 3.20 3.20 1o7fA1 HIS 255 HD2 -0.94 0.06 0.01 -0.04 6.97 6.05 1o7fA1 HIS 255 HE1 -0.18 0.07 0.05 -0.04 7.75 7.65 1o7fA1 VAL 256 H -0.64 0.69 0.31 -0.55 8.24 8.06 1o7fA1 VAL 256 HA -0.11 0.13 0.19 -0.75 4.13 3.59 1o7fA1 VAL 256 HB -0.22 -0.00 -0.00 -0.04 2.12 1.85 1o7fA1 VAL 256 HG13 -0.56 -0.03 -0.09 -0.04 0.97 0.25 1o7fA1 VAL 256 HG23 0.23 0.01 -0.00 -0.04 0.95 1.15 1o7fA1 ASP 257 H -0.62 -0.17 -0.60 -0.55 8.40 6.46 1o7fA1 ASP 257 HA 0.02 0.26 0.98 -0.75 4.63 5.14 1o7fA1 ASP 257 HB2 0.26 -0.18 0.13 -0.04 2.71 2.88 1o7fA1 ASP 257 HB3 0.10 0.04 0.00 -0.04 2.70 2.80 1o7fA1 GLN 258 H 0.42 -0.26 0.13 -0.55 8.47 8.21 1o7fA1 GLN 258 HA 0.10 0.20 0.36 -0.75 4.36 4.26 1o7fA1 GLN 258 HB2 0.06 0.01 0.07 -0.04 2.15 2.24 1o7fA1 GLN 258 HB3 0.07 0.29 -0.08 -0.04 2.02 2.25 1o7fA1 GLN 258 HG2 0.09 -0.13 -0.19 -0.04 2.40 2.12 1o7fA1 GLN 258 HG3 0.06 -0.03 -0.24 -0.04 2.39 2.14 1o7fA1 GLN 258 HE21 0.02 0.00 -0.04 -0.04 6.97 6.91 1o7fA1 GLN 258 HE22 0.02 -0.03 -0.09 -0.04 7.69 7.55 1o7fA1 GLU 259 H 0.14 -0.14 0.16 -0.55 8.60 8.21 1o7fA1 GLU 259 HA 0.01 -0.00 0.39 -0.75 4.29 3.93 1o7fA1 GLU 259 HB2 -0.48 -0.08 0.14 -0.04 2.09 1.62 1o7fA1 GLU 259 HB3 -0.00 0.07 0.04 -0.04 1.99 2.06 1o7fA1 GLU 259 HG2 -0.07 0.05 0.10 -0.04 2.34 2.38 1o7fA1 GLU 259 HG3 -0.27 -0.07 0.13 -0.04 2.34 2.08 1o7fA1 ARG 260 H 0.03 0.00 0.19 -0.55 8.46 8.12 1o7fA1 ARG 260 HA 0.08 0.25 0.64 -0.75 4.34 4.55 1o7fA1 ARG 260 HB2 0.01 0.03 0.08 -0.04 1.90 1.97 1o7fA1 ARG 260 HB3 0.02 0.06 0.11 -0.04 1.80 1.95 1o7fA1 ARG 260 HG2 -0.07 0.04 0.03 -0.04 1.67 1.63 1o7fA1 ARG 260 HG3 -0.05 -0.07 0.12 -0.04 1.67 1.63 1o7fA1 ARG 260 HD2 -0.08 -0.13 0.04 -0.04 3.22 3.01 1o7fA1 ARG 260 HD3 -0.23 0.07 -0.13 -0.04 3.22 2.89 1o7fA1 HIS 261 H 0.35 0.01 -0.12 -0.55 8.41 8.11 1o7fA1 HIS 261 HA 0.05 0.26 0.99 -0.75 4.63 5.17 1o7fA1 HIS 261 HB2 0.02 0.05 -0.02 -0.04 3.26 3.28 1o7fA1 HIS 261 HB3 0.00 0.08 -0.10 -0.04 3.20 3.14 1o7fA1 HIS 261 HD2 -0.00 0.09 -0.09 -0.04 6.97 6.92 1o7fA1 HIS 261 HE1 -0.07 -0.04 -0.02 -0.04 7.75 7.58 1o7fA1 PHE 262 H 0.18 0.17 0.07 -0.55 8.34 8.20 1o7fA1 PHE 262 HA -0.17 0.05 0.47 -0.75 4.62 4.23 1o7fA1 PHE 262 HB2 -0.18 0.04 -0.08 -0.04 3.15 2.90 1o7fA1 PHE 262 HB3 -0.10 0.04 0.05 -0.04 3.06 3.00 1o7fA1 PHE 262 HD2 -0.66 0.02 -0.17 -0.04 7.28 6.43 1o7fA1 PHE 262 HE2 -0.54 -0.03 -0.19 -0.04 7.38 6.58 1o7fA1 PHE 262 HZ -0.59 0.05 -0.06 -0.04 7.32 6.68 1o7fA1 GLN 263 H -0.65 0.17 0.13 -0.55 8.47 7.58 1o7fA1 GLN 263 HA -0.33 0.24 0.94 -0.75 4.36 4.45 1o7fA1 GLN 263 HB2 -0.28 -0.06 -0.00 -0.04 2.15 1.76 1o7fA1 GLN 263 HB3 -0.24 -0.01 -0.11 -0.04 2.02 1.62 1o7fA1 GLN 263 HG2 -0.53 0.10 -0.27 -0.04 2.40 1.67 1o7fA1 GLN 263 HG3 -0.59 0.12 -0.34 -0.04 2.39 1.54 1o7fA1 GLN 263 HE21 -0.12 0.00 -0.05 -0.04 6.97 6.77 1o7fA1 GLN 263 HE22 -0.29 0.02 -0.05 -0.04 7.69 7.32 1o7fA1 ASP 264 H -0.16 0.22 0.00 -0.55 8.40 7.91 1o7fA1 ASP 264 HA -0.16 0.09 0.37 -0.75 4.63 4.17 1o7fA1 ASP 264 HB2 0.05 0.03 0.02 -0.04 2.71 2.77 1o7fA1 ASP 264 HB3 -0.01 0.01 0.16 -0.04 2.70 2.82 1o7fA1 LYS 265 H -0.19 0.56 -0.07 -0.55 8.42 8.16 1o7fA1 LYS 265 HA -0.02 0.21 0.72 -0.75 4.32 4.48 1o7fA1 LYS 265 HB2 -0.13 0.02 -0.19 -0.04 1.87 1.54 1o7fA1 LYS 265 HB3 -0.05 -0.06 0.07 -0.04 1.79 1.71 1o7fA1 LYS 265 HG2 -0.05 0.10 -0.13 -0.04 1.46 1.35 1o7fA1 LYS 265 HG3 -0.10 -0.18 -0.79 -0.04 1.46 0.35 1o7fA1 LYS 265 HD2 -0.12 -0.01 -0.14 -0.04 1.69 1.37 1o7fA1 LYS 265 HD3 -0.06 0.03 -0.08 -0.04 1.68 1.53 1o7fA1 LYS 265 HE2 -0.04 0.02 -0.07 -0.04 2.99 2.86 1o7fA1 LYS 265 HE3 -0.08 -0.05 -0.11 -0.04 2.99 2.71 1o7fA1 TYR 266 H 0.06 0.23 0.07 -0.55 8.29 8.10 1o7fA1 TYR 266 HA -0.06 0.05 0.65 -0.75 4.56 4.45 1o7fA1 TYR 266 HB2 -0.06 0.00 0.13 -0.04 3.06 3.09 1o7fA1 TYR 266 HB3 -0.14 0.03 0.24 -0.04 2.98 3.08 1o7fA1 TYR 266 HD2 -0.14 -0.03 0.03 -0.04 7.15 6.97 1o7fA1 TYR 266 HE2 -0.02 0.02 -0.02 -0.04 6.85 6.80 1o7fA1 LEU 267 H -0.22 0.34 0.20 -0.55 8.37 8.14 1o7fA1 LEU 267 HA -0.67 0.17 0.79 -0.75 4.35 3.88 1o7fA1 LEU 267 HB2 -0.23 -0.07 -0.05 -0.04 1.64 1.25 1o7fA1 LEU 267 HB3 -0.51 0.07 -0.06 -0.04 1.64 1.10 1o7fA1 LEU 267 HG -0.24 0.01 0.03 -0.04 1.64 1.40 1o7fA1 LEU 267 HD13 -0.27 0.01 -0.06 -0.04 0.93 0.56 1o7fA1 LEU 267 HD23 -0.22 -0.01 -0.08 -0.04 0.89 0.54 1o7fA1 PHE 268 H -0.82 0.13 0.18 -0.55 8.34 7.28 1o7fA1 PHE 268 HA -0.42 0.49 1.12 -0.75 4.62 5.06 1o7fA1 PHE 268 HB2 -0.55 -0.09 0.10 -0.04 3.15 2.57 1o7fA1 PHE 268 HB3 -0.34 0.13 0.04 -0.04 3.06 2.85 1o7fA1 PHE 268 HD2 -0.76 0.02 -0.27 -0.04 7.28 6.23 1o7fA1 PHE 268 HE2 -0.90 -0.03 -0.18 -0.04 7.38 6.23 1o7fA1 PHE 268 HZ -0.33 0.05 -0.15 -0.04 7.32 6.85 1o7fA1 TYR 269 H -0.04 0.58 0.38 -0.55 8.29 8.66 1o7fA1 TYR 269 HA -0.08 0.26 0.84 -0.75 4.56 4.82 1o7fA1 TYR 269 HB2 -0.18 -0.05 -0.13 -0.04 3.06 2.66 1o7fA1 TYR 269 HB3 -0.17 0.03 -0.20 -0.04 2.98 2.61 1o7fA1 TYR 269 HD2 -0.00 0.03 -0.36 -0.04 7.15 6.77 1o7fA1 TYR 269 HE2 -0.16 0.04 -0.05 -0.04 6.85 6.63 1o7fA1 ARG 270 H 0.00 0.48 0.20 -0.55 8.46 8.58 1o7fA1 ARG 270 HA -0.02 0.09 0.91 -0.75 4.34 4.57 1o7fA1 ARG 270 HB2 -0.01 -0.00 -0.18 -0.04 1.90 1.67 1o7fA1 ARG 270 HB3 -0.00 0.01 -0.04 -0.04 1.80 1.73 1o7fA1 ARG 270 HG2 0.04 0.15 -0.27 -0.04 1.67 1.55 1o7fA1 ARG 270 HG3 0.05 -0.02 0.09 -0.04 1.67 1.75 1o7fA1 ARG 270 HD2 0.02 0.12 -0.22 -0.04 3.22 3.10 1o7fA1 ARG 270 HD3 0.01 0.19 -0.13 -0.04 3.22 3.25 1o7fA1 PHE 271 H 0.22 0.17 0.13 -0.55 8.34 8.31 1o7fA1 PHE 271 HA 0.02 0.26 0.72 -0.75 4.62 4.87 1o7fA1 PHE 271 HB2 -0.02 0.02 0.06 -0.04 3.15 3.17 1o7fA1 PHE 271 HB3 -0.00 -0.07 0.06 -0.04 3.06 3.01 1o7fA1 PHE 271 HD2 -0.02 0.03 -0.00 -0.04 7.28 7.25 1o7fA1 PHE 271 HE2 0.00 0.00 -0.09 -0.04 7.38 7.26 1o7fA1 PHE 271 HZ 0.10 -0.01 -0.14 -0.04 7.32 7.23 1o7fA1 LEU 272 H 0.18 0.31 0.24 -0.55 8.37 8.55 1o7fA1 LEU 272 HA 0.06 0.15 0.37 -0.75 4.35 4.18 1o7fA1 LEU 272 HB2 0.09 0.09 0.26 -0.04 1.64 2.04 1o7fA1 LEU 272 HB3 0.07 -0.09 0.12 -0.04 1.64 1.70 1o7fA1 LEU 272 HG 0.04 -0.04 -0.01 -0.04 1.64 1.58 1o7fA1 LEU 272 HD13 0.04 0.05 0.04 -0.04 0.93 1.02 1o7fA1 LEU 272 HD23 0.05 -0.00 0.03 -0.04 0.89 0.92 1o7fA1 ASP 273 H 0.09 0.08 -0.04 -0.55 8.40 7.98 1o7fA1 ASP 273 HA 0.03 0.05 0.31 -0.75 4.63 4.26 1o7fA1 ASP 273 HB2 0.01 -0.02 -0.03 -0.04 2.71 2.64 1o7fA1 ASP 273 HB3 -0.00 0.07 0.01 -0.04 2.70 2.74 1o7fA1 ASP 274 H 0.08 0.21 -0.83 -0.55 8.40 7.30 1o7fA1 ASP 274 HA 0.02 0.18 0.65 -0.75 4.63 4.73 1o7fA1 ASP 274 HB2 0.08 0.06 0.03 -0.04 2.71 2.83 1o7fA1 ASP 274 HB3 0.03 0.04 0.13 -0.04 2.70 2.85 1o7fA1 GLU 275 H 0.03 0.50 -0.21 -0.55 8.60 8.37 1o7fA1 GLU 275 HA 0.02 0.07 0.43 -0.75 4.29 4.06 1o7fA1 GLU 275 HB2 0.03 0.26 0.17 -0.04 2.09 2.51 1o7fA1 GLU 275 HB3 0.02 -0.10 -0.05 -0.04 1.99 1.82 1o7fA1 GLU 275 HG2 0.03 -0.05 0.01 -0.04 2.34 2.29 1o7fA1 GLU 275 HG3 0.02 -0.05 0.04 -0.04 2.34 2.31 1o7fA1 ARG 276 H 0.01 0.20 -0.28 -0.55 8.46 7.84 1o7fA1 ARG 276 HA 0.01 0.14 1.00 -0.75 4.34 4.74 1o7fA1 ARG 276 HB2 0.01 -0.04 -0.05 -0.04 1.90 1.78 1o7fA1 ARG 276 HB3 0.01 0.15 0.06 -0.04 1.80 1.97 1o7fA1 ARG 276 HG2 0.00 -0.03 -0.00 -0.04 1.67 1.60 1o7fA1 ARG 276 HG3 0.00 -0.11 -0.14 -0.04 1.67 1.38 1o7fA1 ARG 276 HD2 0.00 -0.11 0.18 -0.04 3.22 3.25 1o7fA1 ARG 276 HD3 0.00 0.04 0.03 -0.04 3.22 3.25 1o7fA1 GLU 277 H 0.00 0.09 0.09 -0.55 8.60 8.24 1o7fA1 GLU 277 HA -0.00 0.03 0.28 -0.75 4.29 3.85 1o7fA1 GLU 277 HB2 -0.00 -0.12 0.13 -0.04 2.09 2.06 1o7fA1 GLU 277 HB3 -0.00 -0.01 0.02 -0.04 1.99 1.96 1o7fA1 GLU 277 HG2 -0.01 0.02 0.08 -0.04 2.34 2.39 1o7fA1 GLU 277 HG3 -0.00 0.01 0.15 -0.04 2.34 2.45 1o7fA1 ASP 278 H -0.00 -0.01 -0.12 -0.55 8.40 7.72 1o7fA1 ASP 278 HA -0.00 0.09 0.68 -0.75 4.63 4.64 1o7fA1 ASP 278 HB2 -0.00 -0.03 0.04 -0.04 2.71 2.68 1o7fA1 ASP 278 HB3 -0.00 0.00 -0.03 -0.04 2.70 2.63 1o7fA1 ALA 279 H -0.01 0.17 0.17 -0.55 8.40 8.19 1o7fA1 ALA 279 HA -0.00 0.12 0.77 -0.75 4.34 4.47 1o7fA1 ALA 279 HB3 -0.01 0.05 -0.03 -0.04 1.41 1.39 1o7fA1 PRO 280 HA -0.01 0.01 0.42 -0.51 4.44 4.35 1o7fA1 PRO 280 HB2 -0.01 0.00 -0.05 -0.04 2.28 2.19 1o7fA1 PRO 280 HB3 -0.01 -0.01 0.11 -0.04 2.02 2.07 1o7fA1 PRO 280 HG2 -0.00 0.03 0.06 -0.04 2.03 2.07 1o7fA1 PRO 280 HG3 -0.00 0.02 0.05 -0.04 2.03 2.05 1o7fA1 PRO 280 HD2 -0.00 0.13 0.18 -0.04 3.68 3.95 1o7fA1 PRO 280 HD3 -0.00 0.18 0.19 -0.04 3.65 3.98 1o7fA1 LEU 281 H -0.01 0.09 0.18 -0.55 8.37 8.08 1o7fA1 LEU 281 HA -0.02 0.32 0.92 -0.75 4.35 4.82 1o7fA1 LEU 281 HB2 -0.01 -0.09 0.04 -0.04 1.64 1.54 1o7fA1 LEU 281 HB3 -0.01 0.05 -0.03 -0.04 1.64 1.61 1o7fA1 LEU 281 HG -0.01 -0.03 -0.05 -0.04 1.64 1.51 1o7fA1 LEU 281 HD13 -0.01 -0.01 -0.01 -0.04 0.93 0.86 1o7fA1 LEU 281 HD23 -0.02 0.07 -0.07 -0.04 0.89 0.83 1o7fA1 PRO 282 HA -0.02 0.00 0.31 -0.51 4.44 4.23 1o7fA1 PRO 282 HB2 -0.02 0.02 0.18 -0.04 2.28 2.43 1o7fA1 PRO 282 HB3 -0.02 -0.04 0.03 -0.04 2.02 1.95 1o7fA1 PRO 282 HG2 -0.05 0.11 0.06 -0.04 2.03 2.11 1o7fA1 PRO 282 HG3 -0.05 0.05 0.02 -0.04 2.03 2.01 1o7fA1 PRO 282 HD2 -0.03 0.13 0.13 -0.04 3.68 3.87 1o7fA1 PRO 282 HD3 -0.04 0.27 0.20 -0.04 3.65 4.04 1o7fA1 THR 283 H -0.01 0.25 0.36 -0.55 8.28 8.33 1o7fA1 THR 283 HA -0.01 0.09 0.44 -0.75 4.39 4.16 1o7fA1 THR 283 HB -0.00 -0.08 0.27 -0.04 4.32 4.47 1o7fA1 THR 283 HG23 -0.00 -0.01 0.01 -0.04 1.22 1.17 1o7fA1 GLU 284 H -0.00 0.43 0.33 -0.55 8.60 8.81 1o7fA1 GLU 284 HA 0.00 0.02 0.39 -0.75 4.29 3.95 1o7fA1 GLU 284 HB2 -0.00 -0.00 -0.05 -0.04 2.09 2.00 1o7fA1 GLU 284 HB3 0.00 0.03 0.02 -0.04 1.99 2.00 1o7fA1 GLU 284 HG2 0.00 0.03 0.03 -0.04 2.34 2.36 1o7fA1 GLU 284 HG3 0.00 0.02 0.08 -0.04 2.34 2.40 1o7fA1 GLU 285 H -0.00 0.25 0.36 -0.55 8.60 8.66 1o7fA1 GLU 285 HA 0.00 0.00 0.39 -0.75 4.29 3.93 1o7fA1 GLU 285 HB2 -0.00 0.10 0.20 -0.04 2.09 2.35 1o7fA1 GLU 285 HB3 0.00 -0.00 -0.00 -0.04 1.99 1.95 1o7fA1 GLU 285 HG2 0.00 0.02 0.07 -0.04 2.34 2.39 1o7fA1 GLU 285 HG3 0.00 -0.01 0.09 -0.04 2.34 2.38 1o7fA1 GLU 286 H -0.00 0.20 -0.56 -0.55 8.60 7.70 1o7fA1 GLU 286 HA -0.00 0.07 0.38 -0.75 4.29 3.99 1o7fA1 GLU 286 HB2 -0.01 -0.08 -0.14 -0.04 2.09 1.82 1o7fA1 GLU 286 HB3 -0.01 0.05 -0.09 -0.04 1.99 1.90 1o7fA1 GLU 286 HG2 -0.01 0.06 -0.04 -0.04 2.34 2.31 1o7fA1 GLU 286 HG3 -0.00 -0.00 -0.04 -0.04 2.34 2.25 1o7fA1 LYS 287 H -0.00 0.13 -0.26 -0.55 8.42 7.73 1o7fA1 LYS 287 HA 0.00 0.03 0.31 -0.75 4.32 3.91 1o7fA1 LYS 287 HB2 0.00 0.03 0.12 -0.04 1.87 1.98 1o7fA1 LYS 287 HB3 0.01 0.02 -0.02 -0.04 1.79 1.75 1o7fA1 LYS 287 HG2 -0.01 -0.05 0.03 -0.04 1.46 1.39 1o7fA1 LYS 287 HG3 -0.00 0.04 0.07 -0.04 1.46 1.53 1o7fA1 LYS 287 HD2 0.01 0.02 0.01 -0.04 1.69 1.68 1o7fA1 LYS 287 HD3 0.00 -0.08 -0.04 -0.04 1.68 1.52 1o7fA1 LYS 287 HE2 -0.02 0.27 0.01 -0.04 2.99 3.22 1o7fA1 LYS 287 HE3 -0.02 -0.12 0.01 -0.04 2.99 2.82 1o7fA1 LYS 288 H 0.00 0.55 -0.37 -0.55 8.42 8.05 1o7fA1 LYS 288 HA 0.01 0.02 0.39 -0.75 4.32 3.98 1o7fA1 LYS 288 HB2 0.00 -0.02 -0.03 -0.04 1.87 1.78 1o7fA1 LYS 288 HB3 0.00 0.11 -0.01 -0.04 1.79 1.86 1o7fA1 LYS 288 HG2 0.00 -0.02 -0.00 -0.04 1.46 1.41 1o7fA1 LYS 288 HG3 0.00 -0.02 -0.02 -0.04 1.46 1.38 1o7fA1 LYS 288 HD2 0.00 -0.01 -0.00 -0.04 1.69 1.64 1o7fA1 LYS 288 HD3 0.00 0.02 -0.08 -0.04 1.68 1.58 1o7fA1 LYS 288 HE2 0.01 0.01 0.21 -0.04 2.99 3.18 1o7fA1 LYS 288 HE3 0.01 0.01 0.03 -0.04 2.99 3.00 1o7fA1 GLU 289 H 0.00 0.41 -0.19 -0.55 8.60 8.27 1o7fA1 GLU 289 HA 0.00 -0.04 0.47 -0.75 4.29 3.97 1o7fA1 GLU 289 HB2 0.00 0.02 0.14 -0.04 2.09 2.21 1o7fA1 GLU 289 HB3 0.00 0.10 0.31 -0.04 1.99 2.36 1o7fA1 GLU 289 HG2 0.00 0.03 -0.17 -0.04 2.34 2.17 1o7fA1 GLU 289 HG3 0.00 -0.06 0.03 -0.04 2.34 2.28 1o7fA1 CYS 290 H 0.01 1.03 0.11 -0.55 8.50 9.09 1o7fA1 CYS 290 HA 0.01 0.11 0.31 -0.75 4.58 4.26 1o7fA1 CYS 290 HB2 0.01 -0.09 0.01 -0.04 2.97 2.86 1o7fA1 CYS 290 HB3 0.01 0.00 0.07 -0.04 2.97 3.01 1o7fA1 ASP 291 H 0.02 0.65 -0.25 -0.55 8.40 8.27 1o7fA1 ASP 291 HA 0.02 -0.04 0.27 -0.75 4.63 4.14 1o7fA1 ASP 291 HB2 0.02 0.15 0.15 -0.04 2.71 2.99 1o7fA1 ASP 291 HB3 0.01 0.05 0.16 -0.04 2.70 2.88 1o7fA1 GLU 292 H 0.01 0.40 -0.11 -0.55 8.60 8.35 1o7fA1 GLU 292 HA 0.00 -0.02 0.47 -0.75 4.29 3.99 1o7fA1 GLU 292 HB2 0.00 0.12 0.20 -0.04 2.09 2.37 1o7fA1 GLU 292 HB3 0.00 -0.08 0.02 -0.04 1.99 1.89 1o7fA1 GLU 292 HG2 0.00 0.03 0.09 -0.04 2.34 2.43 1o7fA1 GLU 292 HG3 0.00 -0.02 0.06 -0.04 2.34 2.33 1o7fA1 GLU 293 H 0.01 0.81 -0.02 -0.55 8.60 8.86 1o7fA1 GLU 293 HA 0.00 -0.08 0.68 -0.75 4.29 4.13 1o7fA1 GLU 293 HB2 0.00 -0.07 0.09 -0.04 2.09 2.07 1o7fA1 GLU 293 HB3 0.00 0.23 0.14 -0.04 1.99 2.32 1o7fA1 GLU 293 HG2 0.00 -0.01 0.04 -0.04 2.34 2.33 1o7fA1 GLU 293 HG3 0.00 -0.08 -0.01 -0.04 2.34 2.21 1o7fA1 LEU 294 H 0.00 0.04 0.12 -0.55 8.37 7.99 1o7fA1 LEU 294 HA 0.02 0.08 0.71 -0.75 4.35 4.40 1o7fA1 LEU 294 HB2 0.04 0.22 -0.07 -0.04 1.64 1.78 1o7fA1 LEU 294 HB3 0.02 0.13 0.04 -0.04 1.64 1.78 1o7fA1 LEU 294 HG 0.00 -0.09 -0.29 -0.04 1.64 1.21 1o7fA1 LEU 294 HD13 0.12 -0.01 -0.00 -0.04 0.93 1.00 1o7fA1 LEU 294 HD23 0.05 -0.00 -0.04 -0.04 0.89 0.86 1o7fA1 GLN 295 H -0.01 0.30 0.25 -0.55 8.47 8.46 1o7fA1 GLN 295 HA -0.03 0.11 0.47 -0.75 4.36 4.15 1o7fA1 GLN 295 HB2 -0.02 0.12 0.24 -0.04 2.15 2.46 1o7fA1 GLN 295 HB3 -0.01 -0.03 0.25 -0.04 2.02 2.19 1o7fA1 GLN 295 HG2 -0.02 0.03 0.04 -0.04 2.40 2.41 1o7fA1 GLN 295 HG3 -0.02 -0.03 -0.16 -0.04 2.39 2.14 1o7fA1 GLN 295 HE21 -0.03 -0.03 0.03 -0.04 6.97 6.89 1o7fA1 GLN 295 HE22 -0.02 0.02 0.03 -0.04 7.69 7.67 1o7fA1 ASP 296 H -0.01 0.17 0.02 -0.55 8.40 8.03 1o7fA1 ASP 296 HA -0.02 0.09 0.41 -0.75 4.63 4.36 1o7fA1 ASP 296 HB2 -0.01 0.01 0.01 -0.04 2.71 2.67 1o7fA1 ASP 296 HB3 -0.01 0.03 0.01 -0.04 2.70 2.69 1o7fA1 THR 297 H -0.02 0.08 -0.52 -0.55 8.28 7.28 1o7fA1 THR 297 HA -0.02 0.00 0.31 -0.75 4.39 3.93 1o7fA1 THR 297 HB -0.01 0.26 0.06 -0.04 4.32 4.58 1o7fA1 THR 297 HG23 -0.02 -0.01 -0.03 -0.04 1.22 1.13 1o7fA1 MET 298 H -0.04 0.51 -0.17 -0.55 8.47 8.22 1o7fA1 MET 298 HA -0.11 0.03 0.42 -0.75 4.52 4.10 1o7fA1 MET 298 HB2 -0.07 0.13 0.17 -0.04 2.15 2.34 1o7fA1 MET 298 HB3 -0.10 0.02 0.02 -0.04 2.03 1.93 1o7fA1 MET 298 HG2 -0.06 0.12 0.08 -0.04 2.63 2.73 1o7fA1 MET 298 HG3 -0.11 0.02 0.04 -0.04 2.56 2.47 1o7fA1 MET 298 HE3 -0.19 0.04 0.00 -0.04 2.10 1.91 1o7fA1 LEU 299 H -0.04 0.37 -0.15 -0.55 8.37 8.01 1o7fA1 LEU 299 HA -0.04 0.03 0.40 -0.75 4.35 3.98 1o7fA1 LEU 299 HB2 -0.03 0.05 0.14 -0.04 1.64 1.76 1o7fA1 LEU 299 HB3 -0.02 0.09 0.11 -0.04 1.64 1.78 1o7fA1 LEU 299 HG -0.02 -0.01 -0.01 -0.04 1.64 1.56 1o7fA1 LEU 299 HD13 -0.02 -0.00 0.03 -0.04 0.93 0.90 1o7fA1 LEU 299 HD23 -0.01 -0.01 -0.00 -0.04 0.89 0.82 1o7fA1 LEU 300 H -0.04 0.54 -0.25 -0.55 8.37 8.08 1o7fA1 LEU 300 HA -0.03 0.02 0.45 -0.75 4.35 4.04 1o7fA1 LEU 300 HB2 -0.02 0.00 0.07 -0.04 1.64 1.65 1o7fA1 LEU 300 HB3 -0.04 0.19 0.20 -0.04 1.64 1.95 1o7fA1 LEU 300 HG -0.03 -0.01 -0.26 -0.04 1.64 1.30 1o7fA1 LEU 300 HD13 -0.02 -0.01 0.03 -0.04 0.93 0.89 1o7fA1 LEU 300 HD23 -0.02 -0.02 -0.05 -0.04 0.89 0.76 1o7fA1 LEU 301 H -0.07 0.61 -0.01 -0.55 8.37 8.35 1o7fA1 LEU 301 HA -0.08 -0.02 0.42 -0.75 4.35 3.92 1o7fA1 LEU 301 HB2 -0.15 0.14 0.16 -0.04 1.64 1.75 1o7fA1 LEU 301 HB3 -0.19 -0.04 0.03 -0.04 1.64 1.40 1o7fA1 LEU 301 HG -0.13 0.00 0.02 -0.04 1.64 1.50 1o7fA1 LEU 301 HD13 -0.06 0.08 0.01 -0.04 0.93 0.91 1o7fA1 LEU 301 HD23 -0.22 -0.01 -0.09 -0.04 0.89 0.53 1o7fA1 SER 302 H -0.07 0.46 -0.40 -0.55 8.46 7.90 1o7fA1 SER 302 HA -0.07 -0.01 0.38 -0.75 4.49 4.04 1o7fA1 SER 302 HB2 -0.06 0.10 0.09 -0.04 3.95 4.04 1o7fA1 SER 302 HB3 -0.04 0.20 0.16 -0.04 3.93 4.21 1o7fA1 GLN 303 H -0.04 0.39 -0.24 -0.55 8.47 8.03 1o7fA1 GLN 303 HA -0.03 0.04 0.51 -0.75 4.36 4.13 1o7fA1 GLN 303 HB2 -0.03 0.12 0.24 -0.04 2.15 2.44 1o7fA1 GLN 303 HB3 -0.02 -0.06 0.06 -0.04 2.02 1.96 1o7fA1 GLN 303 HG2 -0.01 -0.07 0.05 -0.04 2.40 2.33 1o7fA1 GLN 303 HG3 -0.02 0.29 0.16 -0.04 2.39 2.78 1o7fA1 GLN 303 HE21 -0.01 -0.08 -0.10 -0.04 6.97 6.73 1o7fA1 GLN 303 HE22 -0.02 0.14 -0.31 -0.04 7.69 7.46 1o7fA1 MET 304 H -0.04 0.57 0.05 -0.55 8.47 8.50 1o7fA1 MET 304 HA -0.03 0.04 0.47 -0.75 4.52 4.24 1o7fA1 MET 304 HB2 -0.04 0.04 0.08 -0.04 2.15 2.18 1o7fA1 MET 304 HB3 -0.03 -0.07 0.12 -0.04 2.03 2.01 1o7fA1 MET 304 HG2 -0.02 -0.02 0.04 -0.04 2.63 2.59 1o7fA1 MET 304 HG3 -0.03 0.16 0.09 -0.04 2.56 2.74 1o7fA1 MET 304 HE3 -0.01 -0.01 0.03 -0.04 2.10 2.07 1o7fA1 GLY 305 H -0.05 0.34 -0.62 -0.55 8.43 7.55 1o7fA1 GLY 305 HA2 -0.06 0.01 0.19 -0.51 4.01 3.65 1o7fA1 GLY 305 HA3 -0.05 0.10 0.18 -0.51 4.01 3.72 1o7fA1 PRO 306 HA 0.05 -0.03 0.39 -0.51 4.44 4.34 1o7fA1 PRO 306 HB2 -0.10 0.05 0.04 -0.04 2.28 2.24 1o7fA1 PRO 306 HB3 -0.06 0.01 0.06 -0.04 2.02 1.99 1o7fA1 PRO 306 HG2 -0.04 0.07 0.10 -0.04 2.03 2.12 1o7fA1 PRO 306 HG3 -0.01 -0.06 0.09 -0.04 2.03 2.01 1o7fA1 PRO 306 HD2 -0.04 0.40 -0.05 -0.04 3.68 3.96 1o7fA1 PRO 306 HD3 -0.03 0.23 0.15 -0.04 3.65 3.97 1o7fA1 ASP 307 H -0.04 0.24 -0.38 -0.55 8.40 7.67 1o7fA1 ASP 307 HA -0.05 0.05 0.41 -0.75 4.63 4.29 1o7fA1 ASP 307 HB2 -0.04 0.02 0.07 -0.04 2.71 2.72 1o7fA1 ASP 307 HB3 -0.03 0.12 0.13 -0.04 2.70 2.88 1o7fA1 ALA 308 H -0.01 0.39 0.04 -0.55 8.40 8.27 1o7fA1 ALA 308 HA -0.02 -0.00 0.33 -0.75 4.34 3.90 1o7fA1 ALA 308 HB3 -0.01 0.04 0.07 -0.04 1.41 1.46 1o7fA1 HIS 309 H 0.08 0.59 -0.37 -0.55 8.41 8.17 1o7fA1 HIS 309 HA -0.01 -0.03 0.36 -0.75 4.63 4.21 1o7fA1 HIS 309 HB2 -0.02 0.12 0.02 -0.04 3.26 3.35 1o7fA1 HIS 309 HB3 -0.02 0.11 0.04 -0.04 3.20 3.29 1o7fA1 HIS 309 HD2 0.01 -0.00 -0.10 -0.04 6.97 6.84 1o7fA1 HIS 309 HE1 0.04 -0.03 -0.04 -0.04 7.75 7.68 1o7fA1 MET 310 H 0.01 0.64 0.02 -0.55 8.47 8.60 1o7fA1 MET 310 HA -0.08 -0.06 0.38 -0.75 4.52 4.01 1o7fA1 MET 310 HB2 -0.06 0.07 0.11 -0.04 2.15 2.23 1o7fA1 MET 310 HB3 -0.06 0.10 0.17 -0.04 2.03 2.20 1o7fA1 MET 310 HG2 -0.08 -0.03 -0.27 -0.04 2.63 2.21 1o7fA1 MET 310 HG3 -0.05 -0.07 0.03 -0.04 2.56 2.43 1o7fA1 MET 310 HE3 -0.02 -0.00 -0.10 -0.04 2.10 1.94 1o7fA1 ARG 311 H -0.11 0.54 -0.17 -0.55 8.46 8.17 1o7fA1 ARG 311 HA -0.57 0.02 0.41 -0.75 4.34 3.44 1o7fA1 ARG 311 HB2 -0.20 0.10 0.01 -0.04 1.90 1.78 1o7fA1 ARG 311 HB3 -0.58 -0.03 -0.01 -0.04 1.80 1.15 1o7fA1 ARG 311 HG2 -0.33 -0.03 -0.07 -0.04 1.67 1.20 1o7fA1 ARG 311 HG3 -0.12 0.04 -0.06 -0.04 1.67 1.48 1o7fA1 ARG 311 HD2 -0.03 -0.01 -0.08 -0.04 3.22 3.05 1o7fA1 ARG 311 HD3 0.14 -0.04 -0.10 -0.04 3.22 3.18 1o7fA1 MET 312 H -0.06 0.36 -0.42 -0.55 8.47 7.80 1o7fA1 MET 312 HA -0.08 0.08 0.60 -0.75 4.52 4.37 1o7fA1 MET 312 HB2 0.04 0.05 0.09 -0.04 2.15 2.29 1o7fA1 MET 312 HB3 0.13 0.13 0.18 -0.04 2.03 2.43 1o7fA1 MET 312 HG2 0.17 -0.02 -0.15 -0.04 2.63 2.59 1o7fA1 MET 312 HG3 0.14 -0.03 0.03 -0.04 2.56 2.66 1o7fA1 MET 312 HE3 0.14 0.01 -0.05 -0.04 2.10 2.15 1o7fA1 ILE 313 H -0.03 0.47 0.01 -0.55 8.25 8.14 1o7fA1 ILE 313 HA 0.01 0.02 0.44 -0.75 4.18 3.89 1o7fA1 ILE 313 HB -0.07 0.09 0.15 -0.04 1.89 2.02 1o7fA1 ILE 313 HG12 -0.05 0.55 0.09 -0.04 1.49 2.04 1o7fA1 ILE 313 HG13 -0.22 -0.10 -0.03 -0.04 1.21 0.82 1o7fA1 ILE 313 HG23 -0.04 -0.02 -0.09 -0.04 0.93 0.74 1o7fA1 ILE 313 HD13 -0.02 -0.05 -0.03 -0.04 0.88 0.74 1o7fA1 LEU 314 H -0.11 0.69 0.03 -0.55 8.37 8.44 1o7fA1 LEU 314 HA -0.01 0.12 0.30 -0.75 4.35 4.00 1o7fA1 LEU 314 HB2 -0.20 0.01 -0.01 -0.04 1.64 1.40 1o7fA1 LEU 314 HB3 0.07 -0.07 -0.03 -0.04 1.64 1.57 1o7fA1 LEU 314 HG -0.06 0.14 0.07 -0.04 1.64 1.74 1o7fA1 LEU 314 HD13 0.02 -0.03 -0.14 -0.04 0.93 0.74 1o7fA1 LEU 314 HD23 0.01 -0.01 -0.09 -0.04 0.89 0.77 1o7fA1 ARG 315 H -0.09 0.18 -1.08 -0.55 8.46 6.91 1o7fA1 ARG 315 HA 0.03 0.03 0.45 -0.75 4.34 4.11 1o7fA1 ARG 315 HB2 -0.07 0.21 0.02 -0.04 1.90 2.02 1o7fA1 ARG 315 HB3 -0.05 -0.12 0.12 -0.04 1.80 1.71 1o7fA1 ARG 315 HG2 -0.01 -0.08 -0.01 -0.04 1.67 1.52 1o7fA1 ARG 315 HG3 -0.24 0.33 0.02 -0.04 1.67 1.73 1o7fA1 ARG 315 HD2 -0.11 -0.02 0.06 -0.04 3.22 3.11 1o7fA1 ARG 315 HD3 -0.06 -0.11 0.02 -0.04 3.22 3.03 1o7fA1 LYS 316 H -0.01 0.57 -0.39 -0.55 8.42 8.04 1o7fA1 LYS 316 HA 0.00 0.07 0.82 -0.75 4.32 4.45 1o7fA1 LYS 316 HB2 0.00 0.07 0.08 -0.04 1.87 1.99 1o7fA1 LYS 316 HB3 0.01 0.00 0.01 -0.04 1.79 1.77 1o7fA1 LYS 316 HG2 0.02 -0.08 0.01 -0.04 1.46 1.37 1o7fA1 LYS 316 HG3 0.01 0.03 -0.06 -0.04 1.46 1.40 1o7fA1 LYS 316 HD2 0.06 -0.10 0.02 -0.04 1.69 1.64 1o7fA1 LYS 316 HD3 0.02 -0.03 0.11 -0.04 1.68 1.73 1o7fA1 LYS 316 HE2 0.02 0.53 0.19 -0.04 2.99 3.69 1o7fA1 LYS 316 HE3 0.03 -0.09 0.07 -0.04 2.99 2.96 1o7fA1 PRO 317 HA 0.02 0.17 0.42 -0.51 4.44 4.53 1o7fA1 PRO 317 HB2 0.01 -0.12 0.06 -0.04 2.28 2.19 1o7fA1 PRO 317 HB3 0.01 0.02 0.12 -0.04 2.02 2.13 1o7fA1 PRO 317 HG2 0.01 -0.02 0.10 -0.04 2.03 2.08 1o7fA1 PRO 317 HG3 0.01 0.08 0.09 -0.04 2.03 2.18 1o7fA1 PRO 317 HD2 0.01 0.02 0.21 -0.04 3.68 3.88 1o7fA1 PRO 317 HD3 0.00 0.28 0.28 -0.04 3.65 4.17 1o7fA1 PRO 318 HA 0.02 0.18 0.44 -0.51 4.44 4.57 1o7fA1 PRO 318 HB2 0.02 -0.15 0.11 -0.04 2.28 2.21 1o7fA1 PRO 318 HB3 0.02 0.31 0.30 -0.04 2.02 2.61 1o7fA1 PRO 318 HG2 0.02 -0.07 0.13 -0.04 2.03 2.07 1o7fA1 PRO 318 HG3 0.02 0.27 0.08 -0.04 2.03 2.37 1o7fA1 PRO 318 HD2 0.02 -0.02 0.22 -0.04 3.68 3.85 1o7fA1 PRO 318 HD3 0.02 0.19 0.23 -0.04 3.65 4.05 1o7fA1 GLY 319 H 0.01 0.01 -0.46 -0.55 8.43 7.45 1o7fA1 GLY 319 HA2 0.01 0.16 0.70 -0.51 4.01 4.37 1o7fA1 GLY 319 HA3 0.01 -0.05 0.29 -0.51 4.01 3.75 1o7fA1 GLN 320 H 0.01 0.89 -0.24 -0.55 8.47 8.58 1o7fA1 GLN 320 HA 0.01 0.15 0.88 -0.75 4.36 4.64 1o7fA1 GLN 320 HB2 0.01 0.12 0.07 -0.04 2.15 2.31 1o7fA1 GLN 320 HB3 0.01 -0.07 0.20 -0.04 2.02 2.12 1o7fA1 GLN 320 HG2 0.01 -0.01 -0.04 -0.04 2.40 2.32 1o7fA1 GLN 320 HG3 0.01 -0.08 -0.28 -0.04 2.39 2.00 1o7fA1 GLN 320 HE21 0.01 -0.00 0.02 -0.04 6.97 6.96 1o7fA1 GLN 320 HE22 0.01 -0.03 -0.03 -0.04 7.69 7.60 1o7fA1 ARG 321 H 0.01 0.27 -0.25 -0.55 8.46 7.93 1o7fA1 ARG 321 HA 0.00 0.11 0.96 -0.75 4.34 4.66 1o7fA1 ARG 321 HB2 0.00 0.07 0.02 -0.04 1.90 1.96 1o7fA1 ARG 321 HB3 -0.00 -0.14 -0.05 -0.04 1.80 1.56 1o7fA1 ARG 321 HG2 -0.00 -0.01 -0.16 -0.04 1.67 1.46 1o7fA1 ARG 321 HG3 0.01 0.01 -0.49 -0.04 1.67 1.16 1o7fA1 ARG 321 HD2 0.01 0.07 -0.02 -0.04 3.22 3.25 1o7fA1 ARG 321 HD3 0.01 -0.08 -0.12 -0.04 3.22 2.99 1o7fA1 THR 322 H -0.00 0.11 0.15 -0.55 8.28 7.99 1o7fA1 THR 322 HA 0.00 0.24 0.56 -0.75 4.39 4.43 1o7fA1 THR 322 HB 0.01 0.16 0.11 -0.04 4.32 4.55 1o7fA1 THR 322 HG23 -0.00 -0.12 0.07 -0.04 1.22 1.13 1o7fA1 VAL 323 H -0.00 0.21 0.18 -0.55 8.24 8.08 1o7fA1 VAL 323 HA -0.01 0.16 0.36 -0.75 4.13 3.89 1o7fA1 VAL 323 HB -0.00 -0.05 0.09 -0.04 2.12 2.12 1o7fA1 VAL 323 HG13 -0.01 0.02 -0.04 -0.04 0.97 0.89 1o7fA1 VAL 323 HG23 -0.01 0.03 0.09 -0.04 0.95 1.02 1o7fA1 ASP 324 H -0.00 0.00 -0.37 -0.55 8.40 7.48 1o7fA1 ASP 324 HA -0.00 0.15 0.49 -0.75 4.63 4.51 1o7fA1 ASP 324 HB2 0.01 -0.01 0.06 -0.04 2.71 2.73 1o7fA1 ASP 324 HB3 0.00 0.02 -0.03 -0.04 2.70 2.66 1o7fA1 ASP 325 H -0.02 0.08 -0.17 -0.55 8.40 7.75 1o7fA1 ASP 325 HA -0.10 0.05 0.43 -0.75 4.63 4.26 1o7fA1 ASP 325 HB2 -0.02 0.11 0.14 -0.04 2.71 2.91 1o7fA1 ASP 325 HB3 -0.03 0.13 -0.02 -0.04 2.70 2.74 1o7fA1 LEU 326 H -0.01 0.51 -0.20 -0.55 8.37 8.13 1o7fA1 LEU 326 HA 0.02 0.10 0.28 -0.75 4.35 3.99 1o7fA1 LEU 326 HB2 -0.01 0.07 -0.02 -0.04 1.64 1.64 1o7fA1 LEU 326 HB3 0.01 0.02 -0.00 -0.04 1.64 1.63 1o7fA1 LEU 326 HG -0.00 0.12 -0.16 -0.04 1.64 1.56 1o7fA1 LEU 326 HD13 -0.00 0.00 -0.08 -0.04 0.93 0.81 1o7fA1 LEU 326 HD23 0.01 0.00 -0.20 -0.04 0.89 0.67 1o7fA1 GLU 327 H -0.00 0.22 -0.59 -0.55 8.60 7.69 1o7fA1 GLU 327 HA 0.06 0.07 0.55 -0.75 4.29 4.22 1o7fA1 GLU 327 HB2 0.00 0.10 0.15 -0.04 2.09 2.30 1o7fA1 GLU 327 HB3 0.03 -0.04 0.01 -0.04 1.99 1.94 1o7fA1 GLU 327 HG2 -0.04 -0.03 0.01 -0.04 2.34 2.25 1o7fA1 GLU 327 HG3 -0.02 0.24 0.08 -0.04 2.34 2.59 1o7fA1 ILE 328 H -0.03 0.44 -0.06 -0.55 8.25 8.05 1o7fA1 ILE 328 HA -0.02 0.00 0.39 -0.75 4.18 3.80 1o7fA1 ILE 328 HB -0.17 0.15 0.16 -0.04 1.89 1.99 1o7fA1 ILE 328 HG12 -0.07 -0.06 0.00 -0.04 1.49 1.32 1o7fA1 ILE 328 HG13 -0.08 0.31 0.12 -0.04 1.21 1.51 1o7fA1 ILE 328 HG23 -0.24 -0.01 -0.11 -0.04 0.93 0.53 1o7fA1 ILE 328 HD13 -0.44 -0.04 -0.08 -0.04 0.88 0.27 1o7fA1 ILE 329 H -0.01 0.55 -0.19 -0.55 8.25 8.05 1o7fA1 ILE 329 HA -0.02 0.03 0.41 -0.75 4.18 3.84 1o7fA1 ILE 329 HB 0.03 0.03 0.12 -0.04 1.89 2.04 1o7fA1 ILE 329 HG12 -0.03 -0.03 0.01 -0.04 1.49 1.40 1o7fA1 ILE 329 HG13 -0.04 0.08 0.01 -0.04 1.21 1.22 1o7fA1 ILE 329 HG23 0.02 0.02 -0.11 -0.04 0.93 0.83 1o7fA1 ILE 329 HD13 -0.01 0.01 -0.15 -0.04 0.88 0.69 1o7fA1 TYR 330 H 0.15 0.64 -0.07 -0.55 8.29 8.46 1o7fA1 TYR 330 HA 0.02 0.01 0.33 -0.75 4.56 4.16 1o7fA1 TYR 330 HB2 0.01 0.13 0.20 -0.04 3.06 3.35 1o7fA1 TYR 330 HB3 0.01 0.01 0.22 -0.04 2.98 3.18 1o7fA1 TYR 330 HD2 0.02 0.07 -0.20 -0.04 7.15 7.00 1o7fA1 TYR 330 HE2 0.02 0.03 -0.08 -0.04 6.85 6.79 1o7fA1 ASP 331 H 0.16 0.73 -0.15 -0.55 8.40 8.58 1o7fA1 ASP 331 HA 0.04 -0.04 0.33 -0.75 4.63 4.20 1o7fA1 ASP 331 HB2 0.03 0.14 0.13 -0.04 2.71 2.97 1o7fA1 ASP 331 HB3 0.05 -0.05 -0.01 -0.04 2.70 2.65 1o7fA1 GLU 332 H -0.03 0.45 -0.34 -0.55 8.60 8.13 1o7fA1 GLU 332 HA -0.22 0.03 0.54 -0.75 4.29 3.88 1o7fA1 GLU 332 HB2 -0.06 0.18 0.16 -0.04 2.09 2.33 1o7fA1 GLU 332 HB3 -0.09 -0.09 -0.01 -0.04 1.99 1.77 1o7fA1 GLU 332 HG2 -0.10 0.10 0.00 -0.04 2.34 2.30 1o7fA1 GLU 332 HG3 -0.09 0.02 -0.13 -0.04 2.34 2.10 1o7fA1 LEU 333 H -0.07 0.57 -0.04 -0.55 8.37 8.29 1o7fA1 LEU 333 HA -0.03 -0.02 0.41 -0.75 4.35 3.96 1o7fA1 LEU 333 HB2 -0.17 0.13 0.08 -0.04 1.64 1.63 1o7fA1 LEU 333 HB3 -0.05 -0.07 0.03 -0.04 1.64 1.52 1o7fA1 LEU 333 HG -0.02 0.22 -0.14 -0.04 1.64 1.66 1o7fA1 LEU 333 HD13 0.04 -0.01 -0.10 -0.04 0.93 0.83 1o7fA1 LEU 333 HD23 -0.02 -0.03 -0.08 -0.04 0.89 0.73 1o7fA1 LEU 334 H -0.08 0.42 -0.44 -0.55 8.37 7.73 1o7fA1 LEU 334 HA -0.11 0.03 0.32 -0.75 4.35 3.84 1o7fA1 LEU 334 HB2 -0.02 0.24 0.06 -0.04 1.64 1.88 1o7fA1 LEU 334 HB3 -0.14 -0.09 0.05 -0.04 1.64 1.42 1o7fA1 LEU 334 HG -0.52 0.23 -0.02 -0.04 1.64 1.29 1o7fA1 LEU 334 HD13 -0.09 -0.02 -0.02 -0.04 0.93 0.76 1o7fA1 LEU 334 HD23 -0.29 -0.03 -0.05 -0.04 0.89 0.48 1o7fA1 HIS 335 H 0.26 0.44 -0.53 -0.55 8.41 8.04 1o7fA1 HIS 335 HA -0.03 0.10 0.66 -0.75 4.63 4.61 1o7fA1 HIS 335 HB2 -0.03 0.15 0.07 -0.04 3.26 3.41 1o7fA1 HIS 335 HB3 -0.02 -0.08 0.12 -0.04 3.20 3.17 1o7fA1 HIS 335 HD2 -0.02 -0.04 0.02 -0.04 6.97 6.88 1o7fA1 HIS 335 HE1 -0.03 0.02 -0.01 -0.04 7.75 7.67 1o7fA1 ILE 336 H 0.04 0.43 -0.31 -0.55 8.25 7.85 1o7fA1 ILE 336 HA 0.03 0.05 0.70 -0.75 4.18 4.21 1o7fA1 ILE 336 HB -0.01 0.15 0.20 -0.04 1.89 2.20 1o7fA1 ILE 336 HG12 -0.00 -0.02 -0.05 -0.04 1.49 1.38 1o7fA1 ILE 336 HG13 0.02 0.13 -0.01 -0.04 1.21 1.30 1o7fA1 ILE 336 HG23 -0.04 -0.07 -0.10 -0.04 0.93 0.68 1o7fA1 ILE 336 HD13 -0.03 -0.02 -0.07 -0.04 0.88 0.72 1o7fA1 LYS 337 H 0.03 0.28 0.21 -0.55 8.42 8.39 1o7fA1 LYS 337 HA 0.05 0.10 0.31 -0.75 4.32 4.02 1o7fA1 LYS 337 HB2 0.03 0.10 0.16 -0.04 1.87 2.12 1o7fA1 LYS 337 HB3 0.04 0.01 0.13 -0.04 1.79 1.93 1o7fA1 LYS 337 HG2 0.09 -0.02 -0.14 -0.04 1.46 1.35 1o7fA1 LYS 337 HG3 0.05 0.00 0.07 -0.04 1.46 1.54 1o7fA1 LYS 337 HD2 0.03 0.04 0.06 -0.04 1.69 1.78 1o7fA1 LYS 337 HD3 0.03 -0.02 0.05 -0.04 1.68 1.70 1o7fA1 LYS 337 HE2 0.04 -0.00 0.01 -0.04 2.99 3.00 1o7fA1 LYS 337 HE3 0.03 -0.06 0.07 -0.04 2.99 2.99 1o7fA1 ALA 338 H 0.04 0.14 -0.28 -0.55 8.40 7.76 1o7fA1 ALA 338 HA 0.15 0.05 0.37 -0.75 4.34 4.15 1o7fA1 ALA 338 HB3 0.03 0.05 -0.00 -0.04 1.41 1.45 1o7fA1 LEU 339 H 0.09 0.54 -0.57 -0.55 8.37 7.88 1o7fA1 LEU 339 HA 0.28 0.13 0.79 -0.75 4.35 4.79 1o7fA1 LEU 339 HB2 0.05 0.30 0.04 -0.04 1.64 1.98 1o7fA1 LEU 339 HB3 0.11 -0.07 0.11 -0.04 1.64 1.74 1o7fA1 LEU 339 HG -0.07 -0.11 -0.25 -0.04 1.64 1.17 1o7fA1 LEU 339 HD13 -0.03 0.02 -0.02 -0.04 0.93 0.85 1o7fA1 LEU 339 HD23 0.01 0.01 -0.14 -0.04 0.89 0.73 1o7fA1 SER 340 H 0.20 0.48 -0.19 -0.55 8.46 8.40 1o7fA1 SER 340 HA 0.04 0.17 0.50 -0.75 4.49 4.45 1o7fA1 SER 340 HB2 0.04 0.07 0.09 -0.04 3.95 4.10 1o7fA1 SER 340 HB3 -0.07 -0.05 0.13 -0.04 3.93 3.90 1o7fA1 HIS 341 H 0.34 0.12 -0.59 -0.55 8.41 7.74 1o7fA1 HIS 341 HA 0.04 0.16 0.69 -0.75 4.63 4.76 1o7fA1 HIS 341 HB2 0.05 0.03 -0.03 -0.04 3.26 3.27 1o7fA1 HIS 341 HB3 0.02 -0.02 0.12 -0.04 3.20 3.29 1o7fA1 HIS 341 HD2 0.07 -0.04 -0.18 -0.04 6.97 6.77 1o7fA1 HIS 341 HE1 0.01 0.01 -0.08 -0.04 7.75 7.65 1o7fA1 LEU 342 H 0.11 0.35 -0.49 -0.55 8.37 7.79 1o7fA1 LEU 342 HA 0.12 0.11 0.88 -0.75 4.35 4.70 1o7fA1 LEU 342 HB2 0.17 0.23 0.01 -0.04 1.64 2.01 1o7fA1 LEU 342 HB3 0.16 -0.02 -0.11 -0.04 1.64 1.63 1o7fA1 LEU 342 HG 0.27 -0.04 -0.04 -0.04 1.64 1.79 1o7fA1 LEU 342 HD13 0.19 0.10 -0.34 -0.04 0.93 0.83 1o7fA1 LEU 342 HD23 0.33 -0.00 -0.09 -0.04 0.89 1.08 1o7fA1 SER 343 H 0.08 0.13 0.09 -0.55 8.46 8.21 1o7fA1 SER 343 HA 0.05 0.12 0.37 -0.75 4.49 4.28 1o7fA1 SER 343 HB2 0.03 0.13 0.11 -0.04 3.95 4.19 1o7fA1 SER 343 HB3 0.05 0.01 0.11 -0.04 3.93 4.06 1o7fA1 THR 344 H 0.06 0.17 0.18 -0.55 8.28 8.15 1o7fA1 THR 344 HA 0.17 0.19 0.40 -0.75 4.39 4.39 1o7fA1 THR 344 HB 0.20 0.05 0.02 -0.04 4.32 4.55 1o7fA1 THR 344 HG23 0.08 0.03 0.08 -0.04 1.22 1.37 1o7fA1 THR 345 H 0.06 0.10 -0.06 -0.55 8.28 7.83 1o7fA1 THR 345 HA 0.02 0.10 0.36 -0.75 4.39 4.11 1o7fA1 THR 345 HB 0.01 0.09 0.01 -0.04 4.32 4.39 1o7fA1 THR 345 HG23 0.01 0.01 0.04 -0.04 1.22 1.24 1o7fA1 VAL 346 H 0.07 0.02 -0.57 -0.55 8.24 7.20 1o7fA1 VAL 346 HA 0.04 0.10 0.41 -0.75 4.13 3.93 1o7fA1 VAL 346 HB 0.09 0.12 0.03 -0.04 2.12 2.32 1o7fA1 VAL 346 HG13 0.12 0.01 -0.17 -0.04 0.97 0.89 1o7fA1 VAL 346 HG23 0.01 -0.01 -0.03 -0.04 0.95 0.88 1o7fA1 LYS 347 H 0.14 0.64 -0.10 -0.55 8.42 8.55 1o7fA1 LYS 347 HA 0.15 0.01 0.38 -0.75 4.32 4.11 1o7fA1 LYS 347 HB2 0.19 0.06 0.09 -0.04 1.87 2.17 1o7fA1 LYS 347 HB3 0.05 -0.04 -0.04 -0.04 1.79 1.73 1o7fA1 LYS 347 HG2 0.10 -0.07 -0.03 -0.04 1.46 1.42 1o7fA1 LYS 347 HG3 0.11 0.06 -0.12 -0.04 1.46 1.47 1o7fA1 LYS 347 HD2 -0.05 -0.05 -0.16 -0.04 1.69 1.38 1o7fA1 LYS 347 HD3 0.04 0.23 -0.04 -0.04 1.68 1.87 1o7fA1 LYS 347 HE2 0.06 0.24 -0.21 -0.04 2.99 3.04 1o7fA1 LYS 347 HE3 0.01 -0.12 -0.08 -0.04 2.99 2.77 1o7fA1 ARG 348 H 0.21 0.44 -0.38 -0.55 8.46 8.17 1o7fA1 ARG 348 HA 0.19 0.01 0.40 -0.75 4.34 4.18 1o7fA1 ARG 348 HB2 0.01 0.06 0.18 -0.04 1.90 2.11 1o7fA1 ARG 348 HB3 -0.06 -0.01 -0.05 -0.04 1.80 1.64 1o7fA1 ARG 348 HG2 -0.96 -0.01 -0.00 -0.04 1.67 0.66 1o7fA1 ARG 348 HG3 -0.27 -0.06 -0.07 -0.04 1.67 1.23 1o7fA1 ARG 348 HD2 -0.20 -0.01 -0.03 -0.04 3.22 2.93 1o7fA1 ARG 348 HD3 -0.22 0.01 -0.02 -0.04 3.22 2.94 1o7fA1 GLU 349 H 0.06 0.42 -0.17 -0.55 8.60 8.37 1o7fA1 GLU 349 HA 0.03 0.03 0.44 -0.75 4.29 4.03 1o7fA1 GLU 349 HB2 0.04 0.11 0.10 -0.04 2.09 2.31 1o7fA1 GLU 349 HB3 0.02 -0.05 0.04 -0.04 1.99 1.97 1o7fA1 GLU 349 HG2 0.02 0.34 0.15 -0.04 2.34 2.80 1o7fA1 GLU 349 HG3 -0.00 -0.03 0.00 -0.04 2.34 2.28 1o7fA1 LEU 350 H 0.11 0.40 -0.32 -0.55 8.37 8.02 1o7fA1 LEU 350 HA 0.11 -0.01 0.34 -0.75 4.35 4.03 1o7fA1 LEU 350 HB2 0.14 0.09 0.16 -0.04 1.64 1.99 1o7fA1 LEU 350 HB3 0.10 -0.00 -0.09 -0.04 1.64 1.61 1o7fA1 LEU 350 HG 0.26 0.02 -0.04 -0.04 1.64 1.83 1o7fA1 LEU 350 HD13 0.20 -0.01 -0.08 -0.04 0.93 0.99 1o7fA1 LEU 350 HD23 0.16 -0.02 -0.02 -0.04 0.89 0.96 1o7fA1 ALA 351 H 0.11 0.42 -0.35 -0.55 8.40 8.03 1o7fA1 ALA 351 HA 0.06 0.02 0.40 -0.75 4.34 4.06 1o7fA1 ALA 351 HB3 0.10 0.01 0.12 -0.04 1.41 1.59 1o7fA1 GLY 352 H 0.05 0.32 -0.21 -0.55 8.43 8.04 1o7fA1 GLY 352 HA2 0.02 0.08 0.52 -0.51 4.01 4.12 1o7fA1 GLY 352 HA3 0.02 -0.01 0.34 -0.51 4.01 3.84 1o7fA1 VAL 353 H 0.05 0.19 -0.42 -0.55 8.24 7.50 1o7fA1 VAL 353 HA 0.03 0.17 0.99 -0.75 4.13 4.56 1o7fA1 VAL 353 HB 0.06 0.07 0.00 -0.04 2.12 2.21 1o7fA1 VAL 353 HG13 0.08 -0.03 -0.16 -0.04 0.97 0.83 1o7fA1 VAL 353 HG23 0.04 -0.02 0.00 -0.04 0.95 0.93 1o7fA1 LEU 354 H 0.04 0.47 0.13 -0.55 8.37 8.47 1o7fA1 LEU 354 HA 0.01 -0.03 0.45 -0.75 4.35 4.02 1o7fA1 LEU 354 HB2 0.03 0.08 0.13 -0.04 1.64 1.83 1o7fA1 LEU 354 HB3 0.02 -0.01 -0.09 -0.04 1.64 1.52 1o7fA1 LEU 354 HG 0.03 0.03 -0.06 -0.04 1.64 1.59 1o7fA1 LEU 354 HD13 -0.00 -0.02 -0.08 -0.04 0.93 0.79 1o7fA1 LEU 354 HD23 -0.06 -0.02 -0.04 -0.04 0.89 0.73 1o7fA1 ILE 355 H -0.02 0.36 0.42 -0.55 8.25 8.46 1o7fA1 ILE 355 HA 0.04 0.28 0.94 -0.75 4.18 4.69 1o7fA1 ILE 355 HB -0.05 -0.09 0.10 -0.04 1.89 1.81 1o7fA1 ILE 355 HG12 0.01 0.07 0.00 -0.04 1.49 1.54 1o7fA1 ILE 355 HG13 0.00 0.17 -0.18 -0.04 1.21 1.16 1o7fA1 ILE 355 HG23 0.01 -0.01 -0.10 -0.04 0.93 0.80 1o7fA1 ILE 355 HD13 -0.01 -0.06 -0.03 -0.04 0.88 0.74 1o7fA1 PHE 356 H 0.15 0.34 0.17 -0.55 8.34 8.44 1o7fA1 PHE 356 HA 0.00 0.27 1.11 -0.75 4.62 5.25 1o7fA1 PHE 356 HB2 -0.03 -0.02 -0.06 -0.04 3.15 2.99 1o7fA1 PHE 356 HB3 -0.03 0.10 -0.03 -0.04 3.06 3.06 1o7fA1 PHE 356 HD2 -0.05 0.00 -0.15 -0.04 7.28 7.04 1o7fA1 PHE 356 HE2 -0.15 -0.05 -0.11 -0.04 7.38 7.03 1o7fA1 PHE 356 HZ -0.79 -0.02 -0.11 -0.04 7.32 6.36 1o7fA1 GLU 357 H -0.49 0.51 0.25 -0.55 8.60 8.32 1o7fA1 GLU 357 HA -0.29 0.17 0.75 -0.75 4.29 4.17 1o7fA1 GLU 357 HB2 -0.07 0.05 0.00 -0.04 2.09 2.03 1o7fA1 GLU 357 HB3 -0.03 0.09 -0.07 -0.04 1.99 1.94 1o7fA1 GLU 357 HG2 0.03 -0.03 -0.25 -0.04 2.34 2.05 1o7fA1 GLU 357 HG3 0.22 -0.05 -0.09 -0.04 2.34 2.38 1o7fA1 SER 358 H -0.25 0.21 0.19 -0.55 8.46 8.07 1o7fA1 SER 358 HA 0.04 0.38 1.16 -0.75 4.49 5.32 1o7fA1 SER 358 HB2 0.25 0.06 0.02 -0.04 3.95 4.24 1o7fA1 SER 358 HB3 -0.15 -0.04 -0.04 -0.04 3.93 3.67 1o7fA1 HIS 359 H 0.21 0.59 0.29 -0.55 8.41 8.95 1o7fA1 HIS 359 HA 0.07 0.10 0.79 -0.75 4.63 4.84 1o7fA1 HIS 359 HB2 0.17 -0.01 0.07 -0.04 3.26 3.45 1o7fA1 HIS 359 HB3 0.07 -0.02 0.03 -0.04 3.20 3.24 1o7fA1 HIS 359 HD2 0.32 0.03 -0.38 -0.04 6.97 6.90 1o7fA1 HIS 359 HE1 0.03 0.00 -0.05 -0.04 7.75 7.69 1o7fA1 ALA 360 H 0.09 0.19 0.17 -0.55 8.40 8.30 1o7fA1 ALA 360 HA 0.08 0.05 0.78 -0.75 4.34 4.50 1o7fA1 ALA 360 HB3 0.06 0.04 0.11 -0.04 1.41 1.58 1o7fA1 LYS 361 H 0.09 0.07 0.01 -0.55 8.42 8.04 1o7fA1 LYS 361 HA 0.04 0.19 1.09 -0.75 4.32 4.89 1o7fA1 LYS 361 HB2 0.05 -0.08 0.11 -0.04 1.87 1.91 1o7fA1 LYS 361 HB3 0.03 0.18 -0.08 -0.04 1.79 1.88 1o7fA1 LYS 361 HG2 0.03 0.04 0.02 -0.04 1.46 1.50 1o7fA1 LYS 361 HG3 0.04 -0.05 -0.06 -0.04 1.46 1.34 1o7fA1 LYS 361 HD2 0.03 -0.03 -0.02 -0.04 1.69 1.62 1o7fA1 LYS 361 HD3 0.02 0.08 -0.03 -0.04 1.68 1.70 1o7fA1 LYS 361 HE2 0.02 0.02 -0.02 -0.04 2.99 2.97 1o7fA1 LYS 361 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.94 1o7fA1 GLY 362 H 0.03 0.12 0.03 -0.55 8.43 8.06 1o7fA1 GLY 362 HA2 0.01 0.09 0.20 -0.51 4.01 3.81 1o7fA1 GLY 362 HA3 0.01 0.06 0.00 -0.51 4.01 3.58 1o7fA1 GLY 363 H -0.02 0.64 0.14 -0.55 8.43 8.65 1o7fA1 GLY 363 HA2 -0.03 0.02 0.29 -0.51 4.01 3.78 1o7fA1 GLY 363 HA3 -0.01 0.11 0.60 -0.51 4.01 4.20 1o7fA1 THR 364 H -0.02 0.26 -0.34 -0.55 8.28 7.64 1o7fA1 THR 364 HA -0.03 0.06 0.45 -0.75 4.39 4.10 1o7fA1 THR 364 HB -0.06 -0.08 0.08 -0.04 4.32 4.22 1o7fA1 THR 364 HG23 -0.08 -0.01 -0.16 -0.04 1.22 0.93 1o7fA1 VAL 365 H -0.07 0.15 0.15 -0.55 8.24 7.93 1o7fA1 VAL 365 HA -0.17 0.18 0.88 -0.75 4.13 4.26 1o7fA1 VAL 365 HB -0.06 -0.01 0.14 -0.04 2.12 2.15 1o7fA1 VAL 365 HG13 -0.08 -0.02 -0.29 -0.04 0.97 0.54 1o7fA1 VAL 365 HG23 -0.06 0.02 -0.02 -0.04 0.95 0.85 1o7fA1 LEU 366 H -0.34 0.51 0.31 -0.55 8.37 8.30 1o7fA1 LEU 366 HA -0.32 0.02 0.35 -0.75 4.35 3.65 1o7fA1 LEU 366 HB2 -0.58 0.06 0.10 -0.04 1.64 1.18 1o7fA1 LEU 366 HB3 -0.70 -0.03 -0.04 -0.04 1.64 0.83 1o7fA1 LEU 366 HG -0.66 -0.00 -0.08 -0.04 1.64 0.85 1o7fA1 LEU 366 HD13 -0.94 -0.01 -0.14 -0.04 0.93 -0.21 1o7fA1 LEU 366 HD23 -0.36 0.00 -0.06 -0.04 0.89 0.43 1o7fA1 PHE 367 H -0.42 0.26 0.12 -0.55 8.34 7.76 1o7fA1 PHE 367 HA -0.05 0.12 0.38 -0.75 4.62 4.31 1o7fA1 PHE 367 HB2 -0.01 0.02 0.15 -0.04 3.15 3.27 1o7fA1 PHE 367 HB3 -0.04 0.18 0.02 -0.04 3.06 3.18 1o7fA1 PHE 367 HD2 -0.08 0.06 -0.39 -0.04 7.28 6.84 1o7fA1 PHE 367 HE2 0.05 0.15 -0.11 -0.04 7.38 7.43 1o7fA1 PHE 367 HZ 0.12 -0.05 -0.11 -0.04 7.32 7.25 1o7fA1 ASN 368 H 0.18 0.19 0.15 -0.55 8.53 8.50 1o7fA1 ASN 368 HA 0.09 0.09 1.03 -0.75 4.76 5.21 1o7fA1 ASN 368 HB2 0.05 0.01 0.03 -0.04 2.88 2.93 1o7fA1 ASN 368 HB3 0.04 0.10 0.02 -0.04 2.79 2.91 1o7fA1 ASN 368 HD21 0.00 0.04 -0.10 -0.04 7.03 6.93 1o7fA1 ASN 368 HD22 0.03 0.00 -0.05 -0.04 7.74 7.68 1o7fA1 GLN 369 H 0.08 0.04 -0.01 -0.55 8.47 8.03 1o7fA1 GLN 369 HA 0.08 0.12 0.20 -0.75 4.36 4.00 1o7fA1 GLN 369 HB2 0.07 -0.08 -0.08 -0.04 2.15 2.01 1o7fA1 GLN 369 HB3 0.05 -0.03 0.01 -0.04 2.02 2.01 1o7fA1 GLN 369 HG2 0.03 0.09 -0.15 -0.04 2.40 2.33 1o7fA1 GLN 369 HG3 0.05 -0.02 -0.61 -0.04 2.39 1.77 1o7fA1 GLN 369 HE21 0.08 -0.01 0.05 -0.04 6.97 7.05 1o7fA1 GLN 369 HE22 0.04 0.06 -0.01 -0.04 7.69 7.74 1o7fA1 GLY 370 H 0.01 0.56 0.25 -0.55 8.43 8.69 1o7fA1 GLY 370 HA2 -0.01 0.01 0.33 -0.51 4.01 3.82 1o7fA1 GLY 370 HA3 -0.01 0.12 0.71 -0.51 4.01 4.32 1o7fA1 GLU 371 H -0.00 0.37 0.01 -0.55 8.60 8.44 1o7fA1 GLU 371 HA -0.01 0.11 0.75 -0.75 4.29 4.38 1o7fA1 GLU 371 HB2 -0.02 0.02 0.15 -0.04 2.09 2.20 1o7fA1 GLU 371 HB3 -0.01 0.03 0.16 -0.04 1.99 2.14 1o7fA1 GLU 371 HG2 0.02 0.01 -0.03 -0.04 2.34 2.30 1o7fA1 GLU 371 HG3 0.04 0.11 -0.11 -0.04 2.34 2.34 1o7fA1 GLU 372 H -0.02 0.08 0.21 -0.55 8.60 8.32 1o7fA1 GLU 372 HA -0.05 0.12 0.51 -0.75 4.29 4.12 1o7fA1 GLU 372 HB2 -0.02 -0.05 0.07 -0.04 2.09 2.05 1o7fA1 GLU 372 HB3 -0.03 0.05 0.11 -0.04 1.99 2.08 1o7fA1 GLU 372 HG2 -0.02 0.06 0.06 -0.04 2.34 2.40 1o7fA1 GLU 372 HG3 -0.02 -0.03 0.12 -0.04 2.34 2.37 1o7fA1 GLY 373 H -0.06 0.37 0.23 -0.55 8.43 8.43 1o7fA1 GLY 373 HA2 -0.07 0.08 0.67 -0.51 4.01 4.18 1o7fA1 GLY 373 HA3 -0.16 0.04 0.34 -0.51 4.01 3.72 1o7fA1 THR 374 H -0.01 0.08 0.21 -0.55 8.28 8.01 1o7fA1 THR 374 HA -0.01 0.41 0.75 -0.75 4.39 4.78 1o7fA1 THR 374 HB 0.01 -0.18 0.28 -0.04 4.32 4.39 1o7fA1 THR 374 HG23 -0.01 0.02 -0.21 -0.04 1.22 0.98 1o7fA1 SER 375 H 0.02 0.09 0.18 -0.55 8.46 8.19 1o7fA1 SER 375 HA -0.02 0.39 1.26 -0.75 4.49 5.36 1o7fA1 SER 375 HB2 0.09 -0.01 0.00 -0.04 3.95 4.00 1o7fA1 SER 375 HB3 -0.39 0.08 -0.14 -0.04 3.93 3.43 1o7fA1 TRP 376 H 0.03 0.70 0.34 -0.55 7.97 8.50 1o7fA1 TRP 376 HA -0.05 0.11 0.60 -0.75 4.62 4.53 1o7fA1 TRP 376 HB2 -0.17 0.01 -0.10 -0.04 3.23 2.93 1o7fA1 TRP 376 HB3 -0.23 0.00 0.12 -0.04 3.23 3.08 1o7fA1 TRP 376 HD1 -0.08 0.02 -0.25 -0.04 7.22 6.87 1o7fA1 TRP 376 HE1 -0.07 -0.08 -0.12 -0.04 10.20 9.88 1o7fA1 TRP 376 HE3 -0.35 -0.02 -0.09 -0.04 7.59 7.09 1o7fA1 TRP 376 HZ2 -0.07 0.03 -0.05 -0.04 7.44 7.31 1o7fA1 TRP 376 HZ3 -0.19 -0.00 -0.10 -0.04 7.13 6.79 1o7fA1 TRP 376 HH2 -0.06 0.16 -0.04 -0.04 7.19 7.22 1o7fA1 TYR 377 H -0.02 0.64 0.34 -0.55 8.29 8.71 1o7fA1 TYR 377 HA -0.41 0.38 1.19 -0.75 4.56 4.97 1o7fA1 TYR 377 HB2 -1.78 -0.05 0.07 -0.04 3.06 1.26 1o7fA1 TYR 377 HB3 -0.60 0.01 -0.04 -0.04 2.98 2.31 1o7fA1 TYR 377 HD2 -0.17 0.06 -0.17 -0.04 7.15 6.83 1o7fA1 TYR 377 HE2 0.03 0.01 -0.14 -0.04 6.85 6.71 1o7fA1 ILE 378 H -0.21 0.62 0.36 -0.55 8.25 8.47 1o7fA1 ILE 378 HA -0.20 0.20 0.92 -0.75 4.18 4.35 1o7fA1 ILE 378 HB -0.29 -0.04 0.06 -0.04 1.89 1.58 1o7fA1 ILE 378 HG12 -0.66 0.02 -0.15 -0.04 1.49 0.66 1o7fA1 ILE 378 HG13 -1.14 -0.11 -0.71 -0.04 1.21 -0.80 1o7fA1 ILE 378 HG23 -0.13 0.02 -0.19 -0.04 0.93 0.60 1o7fA1 ILE 378 HD13 -0.93 -0.00 -0.21 -0.04 0.88 -0.31 1o7fA1 ILE 379 H 0.06 0.80 0.21 -0.55 8.25 8.77 1o7fA1 ILE 379 HA 0.03 0.14 0.69 -0.75 4.18 4.29 1o7fA1 ILE 379 HB 0.07 -0.01 0.01 -0.04 1.89 1.92 1o7fA1 ILE 379 HG12 0.56 -0.03 -0.23 -0.04 1.49 1.75 1o7fA1 ILE 379 HG13 0.29 0.15 -0.14 -0.04 1.21 1.47 1o7fA1 ILE 379 HG23 -0.12 0.01 -0.51 -0.04 0.93 0.28 1o7fA1 ILE 379 HD13 0.20 0.00 -0.37 -0.04 0.88 0.68 1o7fA1 LEU 380 H -0.16 0.62 0.32 -0.55 8.37 8.61 1o7fA1 LEU 380 HA 0.00 0.12 0.75 -0.75 4.35 4.46 1o7fA1 LEU 380 HB2 0.09 -0.03 -0.13 -0.04 1.64 1.53 1o7fA1 LEU 380 HB3 0.12 0.00 -0.07 -0.04 1.64 1.66 1o7fA1 LEU 380 HG 0.04 -0.00 -0.24 -0.04 1.64 1.41 1o7fA1 LEU 380 HD13 0.25 0.01 -0.19 -0.04 0.93 0.95 1o7fA1 LEU 380 HD23 0.02 0.01 -0.12 -0.04 0.89 0.77 1o7fA1 LYS 381 H -0.22 0.33 0.27 -0.55 8.42 8.25 1o7fA1 LYS 381 HA -0.09 0.12 0.68 -0.75 4.32 4.27 1o7fA1 LYS 381 HB2 -0.12 0.05 -0.18 -0.04 1.87 1.58 1o7fA1 LYS 381 HB3 -0.53 -0.06 0.08 -0.04 1.79 1.24 1o7fA1 LYS 381 HG2 -0.22 0.13 -0.01 -0.04 1.46 1.32 1o7fA1 LYS 381 HG3 -0.11 -0.04 0.15 -0.04 1.46 1.43 1o7fA1 LYS 381 HD2 -0.10 -0.02 0.02 -0.04 1.69 1.56 1o7fA1 LYS 381 HD3 -0.11 -0.03 -0.01 -0.04 1.68 1.49 1o7fA1 LYS 381 HE2 -0.15 -0.03 -0.03 -0.04 2.99 2.73 1o7fA1 LYS 381 HE3 -1.08 -0.07 -0.08 -0.04 2.99 1.73 1o7fA1 GLY 382 H -0.08 0.15 0.18 -0.55 8.43 8.14 1o7fA1 GLY 382 HA2 -0.06 0.09 0.31 -0.51 4.01 3.84 1o7fA1 GLY 382 HA3 -0.13 0.17 0.89 -0.51 4.01 4.44 1o7fA1 SER 383 H -0.04 0.28 0.25 -0.55 8.46 8.41 1o7fA1 SER 383 HA -0.09 0.16 0.57 -0.75 4.49 4.37 1o7fA1 SER 383 HB2 -0.42 0.17 0.20 -0.04 3.95 3.85 1o7fA1 SER 383 HB3 -0.14 0.04 -0.05 -0.04 3.93 3.74 1o7fA1 VAL 384 H -0.15 0.47 0.36 -0.55 8.24 8.37 1o7fA1 VAL 384 HA -0.08 0.08 0.98 -0.75 4.13 4.35 1o7fA1 VAL 384 HB -0.26 0.04 -0.05 -0.04 2.12 1.81 1o7fA1 VAL 384 HG13 0.07 -0.02 -0.35 -0.04 0.97 0.63 1o7fA1 VAL 384 HG23 -0.35 -0.02 -0.24 -0.04 0.95 0.30 1o7fA1 ASN 385 H -0.15 0.73 0.38 -0.55 8.53 8.94 1o7fA1 ASN 385 HA -0.08 0.17 0.99 -0.75 4.76 5.09 1o7fA1 ASN 385 HB2 -0.09 -0.04 0.10 -0.04 2.88 2.81 1o7fA1 ASN 385 HB3 -0.06 -0.03 -0.02 -0.04 2.79 2.64 1o7fA1 ASN 385 HD21 -0.02 0.63 0.15 -0.04 7.03 7.75 1o7fA1 ASN 385 HD22 -0.05 -0.11 -0.06 -0.04 7.74 7.48 1o7fA1 VAL 386 H -0.07 0.61 0.34 -0.55 8.24 8.56 1o7fA1 VAL 386 HA -0.19 0.26 0.93 -0.75 4.13 4.38 1o7fA1 VAL 386 HB -0.04 -0.12 0.18 -0.04 2.12 2.10 1o7fA1 VAL 386 HG13 -0.05 -0.00 -0.14 -0.04 0.97 0.73 1o7fA1 VAL 386 HG23 -0.14 0.02 -0.17 -0.04 0.95 0.62 1o7fA1 VAL 387 H -0.11 0.71 0.32 -0.55 8.24 8.61 1o7fA1 VAL 387 HA -0.07 0.40 1.06 -0.75 4.13 4.77 1o7fA1 VAL 387 HB -0.06 -0.07 0.04 -0.04 2.12 1.98 1o7fA1 VAL 387 HG13 -0.05 -0.02 -0.22 -0.04 0.97 0.63 1o7fA1 VAL 387 HG23 -0.07 0.02 -0.28 -0.04 0.95 0.57 1o7fA1 ILE 388 H -0.07 0.61 0.30 -0.55 8.25 8.55 1o7fA1 ILE 388 HA 0.03 0.10 0.96 -0.75 4.18 4.51 1o7fA1 ILE 388 HB -0.05 -0.01 0.11 -0.04 1.89 1.91 1o7fA1 ILE 388 HG12 0.02 0.15 0.09 -0.04 1.49 1.70 1o7fA1 ILE 388 HG13 -0.01 -0.13 -0.38 -0.04 1.21 0.64 1o7fA1 ILE 388 HG23 0.03 0.08 -0.03 -0.04 0.93 0.97 1o7fA1 ILE 388 HD13 0.02 0.00 -0.07 -0.04 0.88 0.79 1o7fA1 TYR 389 H 0.14 0.15 0.12 -0.55 8.29 8.16 1o7fA1 TYR 389 HA -0.02 -0.02 0.39 -0.75 4.56 4.16 1o7fA1 TYR 389 HB2 -0.01 0.01 0.12 -0.04 3.06 3.14 1o7fA1 TYR 389 HB3 -0.01 0.05 0.08 -0.04 2.98 3.06 1o7fA1 TYR 389 HD2 -0.01 0.01 -0.12 -0.04 7.15 6.99 1o7fA1 TYR 389 HE2 -0.00 0.02 -0.02 -0.04 6.85 6.81 1o7fA1 GLY 390 H -0.80 0.11 0.16 -0.55 8.43 7.35 1o7fA1 GLY 390 HA2 -0.35 0.00 0.38 -0.51 4.01 3.53 1o7fA1 GLY 390 HA3 -0.10 0.15 0.51 -0.51 4.01 4.06 1o7fA1 LYS 391 H -0.14 0.38 -0.46 -0.55 8.42 7.65 1o7fA1 LYS 391 HA -0.11 0.23 1.00 -0.75 4.32 4.69 1o7fA1 LYS 391 HB2 -0.21 0.02 0.02 -0.04 1.87 1.67 1o7fA1 LYS 391 HB3 -0.57 -0.04 -0.05 -0.04 1.79 1.09 1o7fA1 LYS 391 HG2 0.01 0.03 -0.11 -0.04 1.46 1.36 1o7fA1 LYS 391 HG3 -0.03 0.06 -0.20 -0.04 1.46 1.24 1o7fA1 LYS 391 HD2 -0.03 -0.05 -0.02 -0.04 1.69 1.54 1o7fA1 LYS 391 HD3 0.05 -0.03 0.02 -0.04 1.68 1.69 1o7fA1 LYS 391 HE2 0.08 -0.01 -0.01 -0.04 2.99 3.00 1o7fA1 LYS 391 HE3 0.04 0.01 -0.03 -0.04 2.99 2.98 1o7fA1 GLY 392 H -0.15 0.35 0.19 -0.55 8.43 8.27 1o7fA1 GLY 392 HA2 -0.11 -0.04 0.26 -0.51 4.01 3.61 1o7fA1 GLY 392 HA3 -0.11 0.23 0.79 -0.51 4.01 4.41 1o7fA1 VAL 393 H -0.06 0.23 0.10 -0.55 8.24 7.97 1o7fA1 VAL 393 HA -0.05 0.26 0.79 -0.75 4.13 4.37 1o7fA1 VAL 393 HB 0.02 0.13 0.17 -0.04 2.12 2.40 1o7fA1 VAL 393 HG13 0.03 -0.02 -0.11 -0.04 0.97 0.82 1o7fA1 VAL 393 HG23 -0.03 -0.01 -0.04 -0.04 0.95 0.83 1o7fA1 VAL 394 H -0.04 0.49 0.33 -0.55 8.24 8.48 1o7fA1 VAL 394 HA 0.14 0.12 0.55 -0.75 4.13 4.18 1o7fA1 VAL 394 HB 0.11 -0.09 -0.05 -0.04 2.12 2.05 1o7fA1 VAL 394 HG13 -0.14 0.04 -0.09 -0.04 0.97 0.74 1o7fA1 VAL 394 HG23 0.01 0.04 -0.13 -0.04 0.95 0.83 1o7fA1 CYS 395 H 0.04 0.26 0.11 -0.55 8.50 8.36 1o7fA1 CYS 395 HA 0.15 0.03 0.28 -0.75 4.58 4.29 1o7fA1 CYS 395 HB2 0.12 0.00 0.16 -0.04 2.97 3.21 1o7fA1 CYS 395 HB3 0.11 0.25 -0.00 -0.04 2.97 3.29 1o7fA1 THR 396 H 0.15 0.21 0.22 -0.55 8.28 8.31 1o7fA1 THR 396 HA -0.03 0.23 1.21 -0.75 4.39 5.04 1o7fA1 THR 396 HB -0.05 0.13 0.09 -0.04 4.32 4.44 1o7fA1 THR 396 HG23 0.10 -0.01 -0.13 -0.04 1.22 1.14 1o7fA1 LEU 397 H -0.15 0.58 0.34 -0.55 8.37 8.59 1o7fA1 LEU 397 HA 0.06 0.15 0.97 -0.75 4.35 4.77 1o7fA1 LEU 397 HB2 -0.03 -0.06 -0.02 -0.04 1.64 1.48 1o7fA1 LEU 397 HB3 0.10 0.04 -0.02 -0.04 1.64 1.71 1o7fA1 LEU 397 HG -0.06 -0.01 -0.32 -0.04 1.64 1.21 1o7fA1 LEU 397 HD13 0.02 -0.00 -0.21 -0.04 0.93 0.70 1o7fA1 LEU 397 HD23 0.06 0.05 -0.24 -0.04 0.89 0.71 1o7fA1 HIS 398 H 0.17 0.10 0.17 -0.55 8.41 8.31 1o7fA1 HIS 398 HA 0.03 0.33 1.07 -0.75 4.63 5.31 1o7fA1 HIS 398 HB2 0.02 0.02 0.01 -0.04 3.26 3.27 1o7fA1 HIS 398 HB3 0.01 -0.05 0.20 -0.04 3.20 3.31 1o7fA1 HIS 398 HD2 0.03 0.03 -0.05 -0.04 6.97 6.94 1o7fA1 HIS 398 HE1 0.11 0.05 -0.08 -0.04 7.75 7.79 1o7fA1 GLU 399 H 0.13 0.19 0.15 -0.55 8.60 8.52 1o7fA1 GLU 399 HA 0.02 0.04 0.21 -0.75 4.29 3.80 1o7fA1 GLU 399 HB2 0.02 0.01 0.04 -0.04 2.09 2.12 1o7fA1 GLU 399 HB3 0.00 0.15 -0.01 -0.04 1.99 2.09 1o7fA1 GLU 399 HG2 0.05 0.06 0.22 -0.04 2.34 2.63 1o7fA1 GLU 399 HG3 0.04 0.00 0.13 -0.04 2.34 2.47 1o7fA1 GLY 400 H 0.02 0.70 0.30 -0.55 8.43 8.91 1o7fA1 GLY 400 HA2 0.02 -0.04 0.44 -0.51 4.01 3.92 1o7fA1 GLY 400 HA3 0.03 0.14 0.79 -0.51 4.01 4.46 1o7fA1 ASP 401 H 0.08 0.55 -0.23 -0.55 8.40 8.25 1o7fA1 ASP 401 HA 0.09 0.07 0.60 -0.75 4.63 4.63 1o7fA1 ASP 401 HB2 0.14 0.09 0.14 -0.04 2.71 3.03 1o7fA1 ASP 401 HB3 0.14 0.11 0.23 -0.04 2.70 3.13 1o7fA1 ASP 402 H 0.16 0.35 0.37 -0.55 8.40 8.73 1o7fA1 ASP 402 HA 0.00 0.19 0.98 -0.75 4.63 5.05 1o7fA1 ASP 402 HB2 0.00 0.19 0.18 -0.04 2.71 3.04 1o7fA1 ASP 402 HB3 -0.00 -0.00 -0.08 -0.04 2.70 2.57 1o7fA1 PHE 403 H -0.21 0.67 0.37 -0.55 8.34 8.62 1o7fA1 PHE 403 HA 0.20 0.02 0.80 -0.75 4.62 4.88 1o7fA1 PHE 403 HB2 0.13 0.08 0.10 -0.04 3.15 3.42 1o7fA1 PHE 403 HB3 0.08 0.04 -0.09 -0.04 3.06 3.06 1o7fA1 PHE 403 HD2 0.13 0.01 -0.34 -0.04 7.28 7.04 1o7fA1 PHE 403 HE2 -0.32 0.02 -0.20 -0.04 7.38 6.85 1o7fA1 PHE 403 HZ -0.71 0.03 -0.18 -0.04 7.32 6.42 1o7fA1 GLY 404 H 0.32 0.40 0.24 -0.55 8.43 8.84 1o7fA1 GLY 404 HA2 0.21 0.04 0.38 -0.51 4.01 4.14 1o7fA1 GLY 404 HA3 0.36 0.28 0.72 -0.51 4.01 4.86 1o7fA1 LYS 405 H 0.10 0.09 -0.16 -0.55 8.42 7.90 1o7fA1 LYS 405 HA -0.56 0.11 0.25 -0.75 4.32 3.37 1o7fA1 LYS 405 HB2 -0.45 -0.01 -0.04 -0.04 1.87 1.34 1o7fA1 LYS 405 HB3 -0.32 0.02 -0.08 -0.04 1.79 1.37 1o7fA1 LYS 405 HG2 -0.73 0.01 -0.10 -0.04 1.46 0.59 1o7fA1 LYS 405 HG3 -2.09 0.02 -0.03 -0.04 1.46 -0.68 1o7fA1 LYS 405 HD2 -0.84 0.03 -0.08 -0.04 1.69 0.76 1o7fA1 LYS 405 HD3 -0.42 -0.03 -0.10 -0.04 1.68 1.09 1o7fA1 LYS 405 HE2 -0.43 0.03 -0.07 -0.04 2.99 2.48 1o7fA1 LYS 405 HE3 -0.47 -0.01 -0.08 -0.04 2.99 2.38 1o7fA1 LEU 406 H -0.06 0.10 -0.30 -0.55 8.37 7.56 1o7fA1 LEU 406 HA -0.11 0.06 0.30 -0.75 4.35 3.85 1o7fA1 LEU 406 HB2 -0.04 0.06 0.08 -0.04 1.64 1.70 1o7fA1 LEU 406 HB3 -0.03 0.04 -0.06 -0.04 1.64 1.55 1o7fA1 LEU 406 HG -0.04 -0.02 -0.01 -0.04 1.64 1.52 1o7fA1 LEU 406 HD13 -0.05 -0.01 0.03 -0.04 0.93 0.86 1o7fA1 LEU 406 HD23 -0.02 0.02 -0.05 -0.04 0.89 0.80 1o7fA1 ALA 407 H -0.04 0.43 -0.50 -0.55 8.40 7.74 1o7fA1 ALA 407 HA -0.04 0.26 0.47 -0.75 4.34 4.27 1o7fA1 ALA 407 HB3 -0.03 0.03 -0.17 -0.04 1.41 1.20 1o7fA1 LEU 408 H -0.11 0.53 -0.43 -0.55 8.37 7.81 1o7fA1 LEU 408 HA -0.01 0.07 0.54 -0.75 4.35 4.21 1o7fA1 LEU 408 HB2 -0.22 0.13 0.01 -0.04 1.64 1.52 1o7fA1 LEU 408 HB3 -0.04 -0.05 0.07 -0.04 1.64 1.58 1o7fA1 LEU 408 HG -0.20 0.00 -0.09 -0.04 1.64 1.32 1o7fA1 LEU 408 HD13 -0.78 -0.01 -0.06 -0.04 0.93 0.03 1o7fA1 LEU 408 HD23 -0.03 0.01 -0.22 -0.04 0.89 0.62 1o7fA1 VAL 409 H -0.05 0.21 -0.25 -0.55 8.24 7.60 1o7fA1 VAL 409 HA 0.00 0.15 0.68 -0.75 4.13 4.21 1o7fA1 VAL 409 HB -0.02 -0.03 0.11 -0.04 2.12 2.14 1o7fA1 VAL 409 HG13 -0.01 -0.01 -0.30 -0.04 0.97 0.61 1o7fA1 VAL 409 HG23 -0.06 -0.01 -0.14 -0.04 0.95 0.70 1o7fA1 ASN 410 H -0.03 0.22 0.10 -0.55 8.53 8.27 1o7fA1 ASN 410 HA -0.02 0.10 0.90 -0.75 4.76 4.98 1o7fA1 ASN 410 HB2 -0.03 0.01 -0.12 -0.04 2.88 2.70 1o7fA1 ASN 410 HB3 -0.04 0.24 0.10 -0.04 2.79 3.05 1o7fA1 ASN 410 HD21 -0.02 -0.01 0.03 -0.04 7.03 6.98 1o7fA1 ASN 410 HD22 -0.03 0.06 0.03 -0.04 7.74 7.76 1o7fA1 ASP 411 H -0.02 0.11 0.14 -0.55 8.40 8.09 1o7fA1 ASP 411 HA -0.02 0.28 0.87 -0.75 4.63 5.01 1o7fA1 ASP 411 HB2 -0.01 -0.03 0.08 -0.04 2.71 2.71 1o7fA1 ASP 411 HB3 -0.02 -0.01 0.15 -0.04 2.70 2.79 1o7fA1 ALA 412 H -0.02 -0.03 -0.18 -0.55 8.40 7.62 1o7fA1 ALA 412 HA -0.02 0.06 0.43 -0.75 4.34 4.05 1o7fA1 ALA 412 HB3 -0.02 -0.01 0.04 -0.04 1.41 1.38 1o7fA1 PRO 413 HA -0.05 0.12 0.48 -0.51 4.44 4.48 1o7fA1 PRO 413 HB2 -0.03 -0.06 -0.13 -0.04 2.28 2.02 1o7fA1 PRO 413 HB3 -0.03 0.04 -0.16 -0.04 2.02 1.83 1o7fA1 PRO 413 HG2 -0.02 0.00 -0.02 -0.04 2.03 1.96 1o7fA1 PRO 413 HG3 -0.02 0.04 0.03 -0.04 2.03 2.03 1o7fA1 PRO 413 HD2 -0.02 0.01 0.20 -0.04 3.68 3.83 1o7fA1 PRO 413 HD3 -0.02 0.16 0.15 -0.04 3.65 3.90 1o7fA1 ARG 414 H -0.09 0.63 0.21 -0.55 8.46 8.65 1o7fA1 ARG 414 HA -0.09 -0.01 0.44 -0.75 4.34 3.93 1o7fA1 ARG 414 HB2 -0.04 -0.09 0.23 -0.04 1.90 1.96 1o7fA1 ARG 414 HB3 -0.02 0.08 0.04 -0.04 1.80 1.86 1o7fA1 ARG 414 HG2 -0.29 0.30 0.01 -0.04 1.67 1.65 1o7fA1 ARG 414 HG3 -0.72 -0.02 -0.02 -0.04 1.67 0.87 1o7fA1 ARG 414 HD2 -0.74 -0.05 0.03 -0.04 3.22 2.42 1o7fA1 ARG 414 HD3 -0.32 0.01 -0.02 -0.04 3.22 2.85 1o7fA1 ALA 415 H 0.03 0.12 0.21 -0.55 8.40 8.21 1o7fA1 ALA 415 HA 0.02 0.15 0.62 -0.75 4.34 4.38 1o7fA1 ALA 415 HB3 0.02 0.01 0.09 -0.04 1.41 1.49 1o7fA1 ALA 416 H 0.13 0.14 -0.15 -0.55 8.40 7.97 1o7fA1 ALA 416 HA 0.06 0.12 0.65 -0.75 4.34 4.41 1o7fA1 ALA 416 HB3 0.04 0.03 -0.10 -0.04 1.41 1.34 1o7fA1 SER 417 H -0.01 0.90 0.43 -0.55 8.46 9.23 1o7fA1 SER 417 HA 0.03 0.24 0.91 -0.75 4.49 4.91 1o7fA1 SER 417 HB2 -0.05 -0.02 0.14 -0.04 3.95 3.98 1o7fA1 SER 417 HB3 -0.08 0.09 0.08 -0.04 3.93 3.98 1o7fA1 ILE 418 H -0.57 0.54 0.30 -0.55 8.25 7.97 1o7fA1 ILE 418 HA -0.47 0.35 1.13 -0.75 4.18 4.44 1o7fA1 ILE 418 HB -1.23 -0.09 0.14 -0.04 1.89 0.67 1o7fA1 ILE 418 HG12 -0.98 -0.04 -0.38 -0.04 1.49 0.05 1o7fA1 ILE 418 HG13 -1.19 -0.00 -0.14 -0.04 1.21 -0.17 1o7fA1 ILE 418 HG23 -0.90 0.00 -0.19 -0.04 0.93 -0.20 1o7fA1 ILE 418 HD13 -0.69 0.04 -0.13 -0.04 0.88 0.07 1o7fA1 VAL 419 H -0.27 0.58 0.30 -0.55 8.24 8.30 1o7fA1 VAL 419 HA -0.20 0.27 1.07 -0.75 4.13 4.52 1o7fA1 VAL 419 HB -0.11 -0.03 0.04 -0.04 2.12 1.98 1o7fA1 VAL 419 HG13 -0.08 0.06 -0.23 -0.04 0.97 0.68 1o7fA1 VAL 419 HG23 -0.12 -0.01 -0.24 -0.04 0.95 0.54 1o7fA1 LEU 420 H -0.12 0.69 0.27 -0.55 8.37 8.66 1o7fA1 LEU 420 HA -0.02 0.09 0.61 -0.75 4.35 4.28 1o7fA1 LEU 420 HB2 -0.01 -0.20 0.24 -0.04 1.64 1.63 1o7fA1 LEU 420 HB3 0.03 0.17 0.12 -0.04 1.64 1.92 1o7fA1 LEU 420 HG -0.10 0.10 0.07 -0.04 1.64 1.67 1o7fA1 LEU 420 HD13 0.13 0.04 -0.07 -0.04 0.93 1.00 1o7fA1 LEU 420 HD23 0.11 -0.02 -0.07 -0.04 0.89 0.87 1o7fA1 ARG 421 H -0.02 0.60 0.42 -0.55 8.46 8.90 1o7fA1 ARG 421 HA -0.02 0.22 0.70 -0.75 4.34 4.49 1o7fA1 ARG 421 HB2 -0.05 -0.13 -0.20 -0.04 1.90 1.48 1o7fA1 ARG 421 HB3 -0.03 -0.03 -0.18 -0.04 1.80 1.52 1o7fA1 ARG 421 HG2 0.02 -0.07 -0.03 -0.04 1.67 1.56 1o7fA1 ARG 421 HG3 0.00 0.27 0.05 -0.04 1.67 1.95 1o7fA1 ARG 421 HD2 -0.02 -0.07 -0.17 -0.04 3.22 2.92 1o7fA1 ARG 421 HD3 -0.02 -0.06 -0.13 -0.04 3.22 2.97 1o7fA1 GLU 422 H 0.00 0.21 0.09 -0.55 8.60 8.36 1o7fA1 GLU 422 HA 0.01 0.21 0.66 -0.75 4.29 4.42 1o7fA1 GLU 422 HB2 0.01 0.02 0.14 -0.04 2.09 2.22 1o7fA1 GLU 422 HB3 0.02 0.08 -0.11 -0.04 1.99 1.94 1o7fA1 GLU 422 HG2 -0.01 -0.14 -0.05 -0.04 2.34 2.11 1o7fA1 GLU 422 HG3 -0.01 0.13 -0.21 -0.04 2.34 2.21 1o7fA1 ASP 423 H 0.01 0.16 0.17 -0.55 8.40 8.20 1o7fA1 ASP 423 HA 0.03 0.01 0.46 -0.75 4.63 4.38 1o7fA1 ASP 423 HB2 0.02 -0.03 0.19 -0.04 2.71 2.84 1o7fA1 ASP 423 HB3 0.03 0.16 0.25 -0.04 2.70 3.10 1o7fA1 ASN 424 H 0.05 0.20 0.30 -0.55 8.53 8.53 1o7fA1 ASN 424 HA 0.06 0.02 0.40 -0.75 4.76 4.50 1o7fA1 ASN 424 HB2 -0.03 0.13 0.05 -0.04 2.88 2.98 1o7fA1 ASN 424 HB3 -0.01 -0.02 0.08 -0.04 2.79 2.80 1o7fA1 ASN 424 HD21 0.03 0.00 0.05 -0.04 7.03 7.07 1o7fA1 ASN 424 HD22 0.01 0.04 -0.13 -0.04 7.74 7.62 1o7fA1 CYS 425 H 0.08 0.45 0.25 -0.55 8.50 8.74 1o7fA1 CYS 425 HA -0.25 0.34 0.82 -0.75 4.58 4.74 1o7fA1 CYS 425 HB2 0.20 -0.09 0.12 -0.04 2.97 3.16 1o7fA1 CYS 425 HB3 -0.40 0.02 0.04 -0.04 2.97 2.59 1o7fA1 HIS 426 H -0.40 0.46 0.40 -0.55 8.41 8.32 1o7fA1 HIS 426 HA -0.29 0.22 0.97 -0.75 4.63 4.77 1o7fA1 HIS 426 HB2 -0.08 -0.15 0.07 -0.04 3.26 3.07 1o7fA1 HIS 426 HB3 0.08 0.06 -0.03 -0.04 3.20 3.27 1o7fA1 HIS 426 HD2 0.11 -0.01 -0.12 -0.04 6.97 6.92 1o7fA1 HIS 426 HE1 0.08 0.00 -0.15 -0.04 7.75 7.64 1o7fA1 PHE 427 H -0.26 0.53 0.33 -0.55 8.34 8.39 1o7fA1 PHE 427 HA 0.00 0.15 1.15 -0.75 4.62 5.17 1o7fA1 PHE 427 HB2 0.06 0.01 -0.03 -0.04 3.15 3.15 1o7fA1 PHE 427 HB3 0.11 0.02 -0.00 -0.04 3.06 3.14 1o7fA1 PHE 427 HD2 0.13 0.11 -0.23 -0.04 7.28 7.25 1o7fA1 PHE 427 HE2 0.16 -0.03 -0.23 -0.04 7.38 7.25 1o7fA1 PHE 427 HZ -0.01 -0.02 -0.17 -0.04 7.32 7.08 1o7fA1 LEU 428 H 0.05 0.63 0.42 -0.55 8.37 8.92 1o7fA1 LEU 428 HA 0.02 0.26 0.91 -0.75 4.35 4.78 1o7fA1 LEU 428 HB2 -0.05 0.00 0.08 -0.04 1.64 1.63 1o7fA1 LEU 428 HB3 -0.19 -0.06 0.01 -0.04 1.64 1.35 1o7fA1 LEU 428 HG -0.05 0.03 0.01 -0.04 1.64 1.59 1o7fA1 LEU 428 HD13 0.11 0.02 -0.05 -0.04 0.93 0.97 1o7fA1 LEU 428 HD23 -0.07 -0.01 -0.09 -0.04 0.89 0.69 1o7fA1 ARG 429 H -0.10 0.74 0.36 -0.55 8.46 8.90 1o7fA1 ARG 429 HA -0.44 0.34 1.13 -0.75 4.34 4.62 1o7fA1 ARG 429 HB2 -0.33 -0.03 -0.26 -0.04 1.90 1.25 1o7fA1 ARG 429 HB3 -0.18 -0.02 -0.03 -0.04 1.80 1.52 1o7fA1 ARG 429 HG2 -0.35 -0.05 -0.30 -0.04 1.67 0.92 1o7fA1 ARG 429 HG3 -1.18 0.03 -0.15 -0.04 1.67 0.34 1o7fA1 ARG 429 HD2 -0.38 -0.02 -0.15 -0.04 3.22 2.64 1o7fA1 ARG 429 HD3 -0.19 0.02 -0.16 -0.04 3.22 2.85 1o7fA1 VAL 430 H -0.25 0.67 0.31 -0.55 8.24 8.42 1o7fA1 VAL 430 HA -0.03 0.18 0.93 -0.75 4.13 4.45 1o7fA1 VAL 430 HB 0.12 -0.06 0.12 -0.04 2.12 2.27 1o7fA1 VAL 430 HG13 0.02 0.01 -0.15 -0.04 0.97 0.81 1o7fA1 VAL 430 HG23 -0.10 0.02 -0.19 -0.04 0.95 0.64 1o7fA1 ASP 431 H 0.01 0.21 0.14 -0.55 8.40 8.21 1o7fA1 ASP 431 HA -0.01 0.34 0.95 -0.75 4.63 5.16 1o7fA1 ASP 431 HB2 0.02 -0.03 0.13 -0.04 2.71 2.78 1o7fA1 ASP 431 HB3 0.01 -0.07 0.08 -0.04 2.70 2.68 1o7fA1 LYS 432 H 0.03 0.71 0.38 -0.55 8.42 8.99 1o7fA1 LYS 432 HA 0.12 0.05 0.42 -0.75 4.32 4.15 1o7fA1 LYS 432 HB2 0.03 0.17 0.19 -0.04 1.87 2.21 1o7fA1 LYS 432 HB3 0.03 -0.07 0.22 -0.04 1.79 1.92 1o7fA1 LYS 432 HG2 0.04 -0.06 -0.18 -0.04 1.46 1.21 1o7fA1 LYS 432 HG3 0.07 -0.03 0.07 -0.04 1.46 1.53 1o7fA1 LYS 432 HD2 0.02 -0.05 -0.16 -0.04 1.69 1.46 1o7fA1 LYS 432 HD3 0.02 0.07 -0.04 -0.04 1.68 1.69 1o7fA1 LYS 432 HE2 0.00 0.01 0.13 -0.04 2.99 3.09 1o7fA1 LYS 432 HE3 0.01 -0.11 -0.03 -0.04 2.99 2.81 1o7fA1 GLU 433 H 0.04 0.10 -0.10 -0.55 8.60 8.10 1o7fA1 GLU 433 HA 0.03 0.10 0.44 -0.75 4.29 4.11 1o7fA1 GLU 433 HB2 0.03 -0.05 0.10 -0.04 2.09 2.13 1o7fA1 GLU 433 HB3 0.02 0.06 -0.05 -0.04 1.99 1.98 1o7fA1 GLU 433 HG2 0.02 -0.02 0.04 -0.04 2.34 2.34 1o7fA1 GLU 433 HG3 0.02 0.03 0.02 -0.04 2.34 2.37 1o7fA1 ASP 434 H 0.06 0.10 -0.18 -0.55 8.40 7.84 1o7fA1 ASP 434 HA 0.05 0.08 0.47 -0.75 4.63 4.47 1o7fA1 ASP 434 HB2 0.09 0.05 0.10 -0.04 2.71 2.91 1o7fA1 ASP 434 HB3 0.07 0.05 0.04 -0.04 2.70 2.81 1o7fA1 PHE 435 H 0.22 0.48 -0.09 -0.55 8.34 8.40 1o7fA1 PHE 435 HA 0.04 0.05 0.40 -0.75 4.62 4.35 1o7fA1 PHE 435 HB2 0.06 0.05 -0.02 -0.04 3.15 3.20 1o7fA1 PHE 435 HB3 0.02 0.08 0.06 -0.04 3.06 3.18 1o7fA1 PHE 435 HD2 0.03 0.05 -0.05 -0.04 7.28 7.28 1o7fA1 PHE 435 HE2 0.02 0.01 -0.06 -0.04 7.38 7.31 1o7fA1 PHE 435 HZ 0.00 0.00 -0.05 -0.04 7.32 7.23 1o7fA1 ASN 436 H 0.09 0.52 -0.12 -0.55 8.53 8.47 1o7fA1 ASN 436 HA -0.14 0.03 0.49 -0.75 4.76 4.38 1o7fA1 ASN 436 HB2 0.01 0.12 0.13 -0.04 2.88 3.10 1o7fA1 ASN 436 HB3 -0.02 -0.05 0.00 -0.04 2.79 2.68 1o7fA1 ASN 436 HD21 0.04 0.04 0.00 -0.04 7.03 7.07 1o7fA1 ASN 436 HD22 0.02 -0.05 0.00 -0.04 7.74 7.68 1o7fA1 ARG 437 H -0.00 0.39 -0.21 -0.55 8.46 8.09 1o7fA1 ARG 437 HA -0.02 0.01 0.38 -0.75 4.34 3.95 1o7fA1 ARG 437 HB2 0.00 0.09 0.15 -0.04 1.90 2.11 1o7fA1 ARG 437 HB3 0.00 0.12 0.13 -0.04 1.80 2.02 1o7fA1 ARG 437 HG2 -0.01 -0.05 0.03 -0.04 1.67 1.60 1o7fA1 ARG 437 HG3 -0.00 -0.02 0.02 -0.04 1.67 1.63 1o7fA1 ARG 437 HD2 -0.00 -0.00 -0.16 -0.04 3.22 3.01 1o7fA1 ARG 437 HD3 0.00 -0.02 -0.04 -0.04 3.22 3.12 1o7fA1 ILE 438 H -0.06 0.41 -0.37 -0.55 8.25 7.69 1o7fA1 ILE 438 HA -0.04 0.02 0.42 -0.75 4.18 3.83 1o7fA1 ILE 438 HB -0.16 0.19 0.17 -0.04 1.89 2.06 1o7fA1 ILE 438 HG12 0.01 -0.06 -0.03 -0.04 1.49 1.37 1o7fA1 ILE 438 HG13 0.01 0.21 0.08 -0.04 1.21 1.48 1o7fA1 ILE 438 HG23 -0.04 -0.02 -0.12 -0.04 0.93 0.71 1o7fA1 ILE 438 HD13 0.10 -0.02 -0.18 -0.04 0.88 0.74 1o7fA1 LEU 439 H -0.29 0.59 0.04 -0.55 8.37 8.16 1o7fA1 LEU 439 HA -0.19 -0.03 0.32 -0.75 4.35 3.70 1o7fA1 LEU 439 HB2 -0.21 0.07 0.16 -0.04 1.64 1.62 1o7fA1 LEU 439 HB3 -0.17 -0.04 0.00 -0.04 1.64 1.40 1o7fA1 LEU 439 HG -0.94 0.20 0.01 -0.04 1.64 0.88 1o7fA1 LEU 439 HD13 -0.21 -0.01 -0.02 -0.04 0.93 0.65 1o7fA1 LEU 439 HD23 -0.44 -0.03 -0.00 -0.04 0.89 0.37 1o7fA1 ARG 440 H -0.08 0.51 -0.33 -0.55 8.46 8.00 1o7fA1 ARG 440 HA -0.05 0.09 0.66 -0.75 4.34 4.29 1o7fA1 ARG 440 HB2 -0.03 -0.05 0.03 -0.04 1.90 1.81 1o7fA1 ARG 440 HB3 -0.04 -0.02 0.05 -0.04 1.80 1.74 1o7fA1 ARG 440 HG2 -0.05 0.32 0.17 -0.04 1.67 2.06 1o7fA1 ARG 440 HG3 -0.03 0.02 0.01 -0.04 1.67 1.62 1o7fA1 ARG 440 HD2 -0.02 -0.06 -0.02 -0.04 3.22 3.08 1o7fA1 ARG 440 HD3 -0.03 -0.04 -0.04 -0.04 3.22 3.07 1o7fA1 ASP 441 H -0.05 0.47 -0.05 -0.55 8.40 8.22 1o7fA1 ASP 441 HA -0.02 -0.02 0.46 -0.75 4.63 4.30 1o7fA1 ASP 441 HB2 -0.04 0.15 0.37 -0.04 2.71 3.15 1o7fA1 ASP 441 HB3 -0.02 -0.05 0.00 -0.04 2.70 2.58 1o7fA1 VAL 442 H -0.05 0.47 -0.44 -0.55 8.24 7.67 1o7fA1 VAL 442 HA -0.02 0.13 0.54 -0.75 4.13 4.02 1o7fA1 VAL 442 HB -0.02 -0.11 0.04 -0.04 2.12 1.98 1o7fA1 VAL 442 HG13 -0.03 0.02 -0.13 -0.04 0.97 0.79 1o7fA1 VAL 442 HG23 -0.06 -0.00 -0.09 -0.04 0.95 0.76 1o7fA1 GLU 443 H -0.03 0.49 -0.61 -0.55 8.60 7.90 1o7fA1 GLU 443 HA -0.02 0.05 0.63 -0.75 4.29 4.19 1o7fA1 GLU 443 HB2 -0.03 0.03 0.22 -0.04 2.09 2.26 1o7fA1 GLU 443 HB3 -0.02 0.06 0.07 -0.04 1.99 2.05 1o7fA1 GLU 443 HG2 -0.02 -0.05 0.05 -0.04 2.34 2.28 1o7fA1 GLU 443 HG3 -0.02 -0.05 0.09 -0.04 2.34 2.32 1o7fA1 ALA 444 H -0.02 0.25 -0.40 -0.55 8.40 7.68 1o7fA1 ALA 444 HA -0.01 0.02 0.51 -0.75 4.34 4.10 1o7fA1 ALA 444 HB3 -0.01 0.05 0.17 -0.04 1.41 1.57 1o7fA1 ASN 445 H -0.01 0.40 0.07 -0.55 8.53 8.44 1o7fA1 ASN 445 HA -0.01 0.16 0.47 -0.75 4.76 4.62 1o7fA1 ASN 445 HB2 -0.01 -0.07 0.01 -0.04 2.88 2.77 1o7fA1 ASN 445 HB3 -0.01 0.10 -0.21 -0.04 2.79 2.63 1o7fA1 ASN 445 HD21 -0.01 -0.06 0.02 -0.04 7.03 6.94 1o7fA1 ASN 445 HD22 -0.01 0.23 -0.22 -0.04 7.74 7.69