============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 77 rings ring int. center anis. iso. TYR 3 0.840 46.062 -60.189 -5.576 -99.200 -91.000 HIS 8 0.900 58.364 -56.601 4.718 -99.200 -91.000 PHE 10 1.000 60.889 -56.673 10.291 -99.200 -91.000 PHE 26 1.000 57.116 -49.919 24.972 -99.200 -91.000 PHE 33 1.000 64.788 -60.869 21.137 -99.200 -91.000 PHE 42 1.000 48.849 -43.101 14.234 -99.200 -91.000 HIS 47 0.900 37.039 -50.952 22.325 -99.200 -91.000 TRP 67 1.040 51.301 -59.471 45.907 -99.200 -91.000 TRP6 67 1.020 50.873 -61.682 45.165 -99.200 -91.000 TRP 69 1.040 44.219 -58.709 51.289 -99.200 -91.000 TRP6 69 1.020 44.403 -56.621 52.402 -99.200 -91.000 HIS 70 0.900 44.317 -56.941 41.391 -99.200 -91.000 PHE 71 1.000 45.758 -65.833 43.743 -99.200 -91.000 TYR 72 0.840 39.049 -64.337 48.060 -99.200 -91.000 TRP 80 1.040 37.362 -70.893 42.626 -99.200 -91.000 TRP6 80 1.020 35.656 -69.533 43.568 -99.200 -91.000 HIS 88 0.900 51.644 -66.263 42.472 -99.200 -91.000 TYR 89 0.840 54.100 -62.664 35.266 -99.200 -91.000 TYR 104 0.840 56.799 -46.852 29.954 -99.200 -91.000 PHE 108 1.000 48.266 -43.849 36.092 -99.200 -91.000 TYR 117 0.840 40.787 -40.734 42.669 -99.200 -91.000 PHE 121 1.000 36.207 -49.952 37.572 -99.200 -91.000 PHE 128 1.000 43.749 -63.193 51.412 -99.200 -91.000 HIS 135 0.900 38.008 -47.278 48.372 -99.200 -91.000 HIS 146 0.900 43.212 -39.507 25.200 -99.200 -91.000 HIS 150 0.900 46.380 -40.614 22.332 -99.200 -91.000 TYR 153 0.840 52.149 -43.494 18.202 -99.200 -91.000 TYR 159 0.840 62.152 -48.538 23.442 -99.200 -91.000 TYR 163 0.840 55.309 -49.407 15.769 -99.200 -91.000 PHE 164 1.000 56.544 -53.290 8.189 -99.200 -91.000 TYR 167 0.840 51.795 -52.894 5.621 -99.200 -91.000 PHE 168 1.000 42.143 -57.655 7.722 -99.200 -91.000 HIS 193 0.900 54.118 -55.615 2.106 -99.200 -91.000 PHE 195 1.000 55.112 -57.834 7.649 -99.200 -91.000 TYR 207 0.840 34.790 -63.366 19.987 -99.200 -91.000 TYR 211 0.840 26.967 -61.219 21.196 -99.200 -91.000 PHE 212 1.000 21.111 -54.492 15.818 -99.200 -91.000 HIS 218 0.900 31.313 -49.275 13.588 -99.200 -91.000 PHE 240 1.000 32.587 -69.406 30.329 -99.200 -91.000 PHE 243 1.000 25.845 -60.510 27.344 -99.200 -91.000 HIS 244 0.900 30.346 -51.700 31.618 -99.200 -91.000 TYR 249 0.840 17.024 -47.217 24.969 -99.200 -91.000 PHE 274 1.000 18.188 -52.198 39.477 -99.200 -91.000 TYR 278 0.840 17.833 -58.227 41.447 -99.200 -91.000 HIS 311 0.900 15.836 -46.760 28.845 -99.200 -91.000 TYR 313 0.840 15.818 -43.342 33.847 -99.200 -91.000 HIS 317 0.900 19.728 -36.825 39.917 -99.200 -91.000 HIS 318 0.900 23.747 -39.842 44.018 -99.200 -91.000 PHE 338 1.000 27.283 -40.472 21.060 -99.200 -91.000 HIS 355 0.900 33.102 -53.342 28.106 -99.200 -91.000 TYR 356 0.840 37.704 -58.749 28.097 -99.200 -91.000 TYR 365 0.840 53.825 -68.943 34.416 -99.200 -91.000 HIS 372 0.900 44.727 -80.739 27.046 -99.200 -91.000 TYR 384 0.840 55.988 -66.304 22.846 -99.200 -91.000 HIS 395 0.900 40.823 -61.065 32.351 -99.200 -91.000 PHE 411 1.000 49.287 -62.279 31.610 -99.200 -91.000 PHE 449 1.000 38.741 -59.580 -8.946 -99.200 -91.000 HIS 470 0.900 18.250 -67.658 18.279 -99.200 -91.000 PHE 474 1.000 19.019 -64.289 33.257 -99.200 -91.000 TYR 491 0.840 31.697 -70.927 7.926 -99.200 -91.000 HIS 496 0.900 25.057 -69.365 -2.403 -99.200 -91.000 PHE 500 1.000 27.420 -54.320 -4.456 -99.200 -91.000 TRP 506 1.040 43.256 -46.783 2.473 -99.200 -91.000 TRP6 506 1.020 42.031 -46.714 4.499 -99.200 -91.000 TYR 528 0.840 27.551 -75.347 16.463 -99.200 -91.000 HIS 540 0.900 26.931 -70.804 29.238 -99.200 -91.000 TYR 545 0.840 21.260 -78.554 31.504 -99.200 -91.000 PHE 552 1.000 35.875 -83.476 45.448 -99.200 -91.000 TYR 554 0.840 34.991 -77.604 45.504 -99.200 -91.000 PHE 566 1.000 38.587 -82.915 32.135 -99.200 -91.000 HIS 569 0.900 34.705 -81.715 36.659 -99.200 -91.000 TRP 570 1.040 29.277 -79.194 32.148 -99.200 -91.000 TRP6 570 1.020 30.141 -79.241 29.935 -99.200 -91.000 HIS 573 0.900 40.274 -72.915 31.131 -99.200 -91.000 TYR 577 0.840 40.577 -78.364 18.360 -99.200 -91.000 TYR 589 0.840 34.464 -79.704 26.901 -99.200 -91.000 TYR 612 0.840 30.940 -60.913 43.565 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fbwN1 THR 10 HA 0.03 0.03 0.17 -0.75 4.39 3.86 2fbwN1 THR 10 HB 0.01 0.01 -0.11 -0.04 4.32 4.19 2fbwN1 THR 10 HG23 0.01 -0.00 0.02 -0.04 1.22 1.20 2fbwN1 GLN 11 H 0.05 0.16 0.07 -0.55 8.47 8.20 2fbwN1 GLN 11 HA -0.06 0.07 0.48 -0.75 4.36 4.10 2fbwN1 GLN 11 HB2 -0.21 0.01 0.03 -0.04 2.15 1.94 2fbwN1 GLN 11 HB3 -0.06 -0.02 0.08 -0.04 2.02 1.98 2fbwN1 GLN 11 HG2 0.07 0.00 0.10 -0.04 2.40 2.52 2fbwN1 GLN 11 HG3 0.17 0.01 -0.03 -0.04 2.39 2.50 2fbwN1 GLN 11 HE21 0.13 0.01 -0.03 -0.04 6.97 7.04 2fbwN1 GLN 11 HE22 0.32 -0.00 -0.04 -0.04 7.69 7.93 2fbwN1 TYR 12 H 0.18 0.11 -0.31 -0.55 8.29 7.72 2fbwN1 TYR 12 HA 0.01 0.26 0.97 -0.75 4.56 5.05 2fbwN1 TYR 12 HB2 0.01 -0.06 0.02 -0.04 3.06 2.98 2fbwN1 TYR 12 HB3 0.01 0.05 -0.04 -0.04 2.98 2.95 2fbwN1 TYR 12 HD2 0.02 0.03 -0.03 -0.04 7.15 7.13 2fbwN1 TYR 12 HE2 0.05 -0.01 -0.04 -0.04 6.85 6.80 2fbwN1 PRO 13 HA 0.01 0.08 0.54 -0.51 4.44 4.56 2fbwN1 PRO 13 HB2 -0.01 -0.00 -0.01 -0.04 2.28 2.22 2fbwN1 PRO 13 HB3 0.00 0.04 0.08 -0.04 2.02 2.10 2fbwN1 PRO 13 HG2 0.04 -0.11 0.15 -0.04 2.03 2.07 2fbwN1 PRO 13 HG3 0.02 0.05 0.07 -0.04 2.03 2.12 2fbwN1 PRO 13 HD2 0.07 0.10 0.26 -0.04 3.68 4.07 2fbwN1 PRO 13 HD3 -0.02 0.22 0.12 -0.04 3.65 3.93 2fbwN1 VAL 14 H -0.02 0.18 0.20 -0.55 8.24 8.05 2fbwN1 VAL 14 HA -0.07 0.29 1.05 -0.75 4.13 4.65 2fbwN1 VAL 14 HB -0.03 -0.03 0.11 -0.04 2.12 2.13 2fbwN1 VAL 14 HG13 -0.04 -0.02 -0.29 -0.04 0.97 0.58 2fbwN1 VAL 14 HG23 0.02 0.05 -0.14 -0.04 0.95 0.84 2fbwN1 VAL 15 H -0.25 0.79 0.40 -0.55 8.24 8.63 2fbwN1 VAL 15 HA -0.18 0.15 0.94 -0.75 4.13 4.29 2fbwN1 VAL 15 HB -0.67 -0.04 0.08 -0.04 2.12 1.45 2fbwN1 VAL 15 HG13 -0.30 0.00 -0.15 -0.04 0.97 0.49 2fbwN1 VAL 15 HG23 -0.19 0.00 -0.16 -0.04 0.95 0.57 2fbwN1 ASP 16 H -0.21 0.20 0.19 -0.55 8.40 8.03 2fbwN1 ASP 16 HA -0.15 0.20 1.11 -0.75 4.63 5.03 2fbwN1 ASP 16 HB2 -0.11 -0.03 0.12 -0.04 2.71 2.65 2fbwN1 ASP 16 HB3 -0.09 0.06 -0.02 -0.04 2.70 2.61 2fbwN1 HIS 17 H -0.04 0.70 0.44 -0.55 8.41 8.95 2fbwN1 HIS 17 HA -0.09 0.14 0.85 -0.75 4.63 4.78 2fbwN1 HIS 17 HB2 -0.05 -0.06 0.04 -0.04 3.26 3.15 2fbwN1 HIS 17 HB3 0.21 0.02 -0.02 -0.04 3.20 3.37 2fbwN1 HIS 17 HD2 -0.74 0.07 -0.27 -0.04 6.97 5.98 2fbwN1 HIS 17 HE1 0.39 -0.01 -0.13 -0.04 7.75 7.95 2fbwN1 GLU 18 H -0.21 0.24 0.16 -0.55 8.60 8.25 2fbwN1 GLU 18 HA 0.04 0.26 0.98 -0.75 4.29 4.80 2fbwN1 GLU 18 HB2 -0.11 -0.04 0.13 -0.04 2.09 2.02 2fbwN1 GLU 18 HB3 -0.04 0.06 0.03 -0.04 1.99 1.99 2fbwN1 GLU 18 HG2 -0.02 0.09 -0.09 -0.04 2.34 2.28 2fbwN1 GLU 18 HG3 -0.06 -0.09 -0.28 -0.04 2.34 1.87 2fbwN1 PHE 19 H 0.18 0.72 0.30 -0.55 8.34 8.99 2fbwN1 PHE 19 HA 0.07 0.13 0.79 -0.75 4.62 4.85 2fbwN1 PHE 19 HB2 0.06 0.00 -0.12 -0.04 3.15 3.06 2fbwN1 PHE 19 HB3 0.05 0.08 0.17 -0.04 3.06 3.32 2fbwN1 PHE 19 HD2 0.13 -0.02 -0.34 -0.04 7.28 7.01 2fbwN1 PHE 19 HE2 0.12 -0.01 -0.11 -0.04 7.38 7.33 2fbwN1 PHE 19 HZ 0.44 -0.01 -0.08 -0.04 7.32 7.63 2fbwN1 ASP 20 H 0.25 0.54 0.36 -0.55 8.40 9.00 2fbwN1 ASP 20 HA 0.14 0.12 0.72 -0.75 4.63 4.86 2fbwN1 ASP 20 HB2 0.28 0.03 0.10 -0.04 2.71 3.08 2fbwN1 ASP 20 HB3 0.41 0.04 -0.01 -0.04 2.70 3.09 2fbwN1 ALA 21 H 0.17 0.36 0.15 -0.55 8.40 8.54 2fbwN1 ALA 21 HA 0.02 0.29 0.72 -0.75 4.34 4.61 2fbwN1 ALA 21 HB3 -0.09 0.00 -0.18 -0.04 1.41 1.10 2fbwN1 VAL 22 H -0.07 0.66 0.29 -0.55 8.24 8.57 2fbwN1 VAL 22 HA -0.25 0.17 1.05 -0.75 4.13 4.35 2fbwN1 VAL 22 HB -0.08 -0.02 0.04 -0.04 2.12 2.02 2fbwN1 VAL 22 HG13 -0.31 -0.03 -0.28 -0.04 0.97 0.30 2fbwN1 VAL 22 HG23 0.01 0.02 -0.34 -0.04 0.95 0.60 2fbwN1 VAL 23 H -0.27 0.90 0.38 -0.55 8.24 8.70 2fbwN1 VAL 23 HA -0.14 0.17 1.06 -0.75 4.13 4.46 2fbwN1 VAL 23 HB -0.20 -0.00 0.16 -0.04 2.12 2.04 2fbwN1 VAL 23 HG13 -0.11 0.02 -0.16 -0.04 0.97 0.67 2fbwN1 VAL 23 HG23 -0.17 -0.00 -0.23 -0.04 0.95 0.50 2fbwN1 VAL 24 H -0.12 0.78 0.32 -0.55 8.24 8.67 2fbwN1 VAL 24 HA -0.18 0.24 0.97 -0.75 4.13 4.41 2fbwN1 VAL 24 HB -0.11 -0.14 0.26 -0.04 2.12 2.09 2fbwN1 VAL 24 HG13 -0.14 -0.01 -0.05 -0.04 0.97 0.73 2fbwN1 VAL 24 HG23 -0.14 0.04 -0.14 -0.04 0.95 0.67 2fbwN1 GLY 25 H -0.11 0.54 0.09 -0.55 8.43 8.41 2fbwN1 GLY 25 HA2 -0.06 -0.10 0.37 -0.51 4.01 3.72 2fbwN1 GLY 25 HA3 -0.06 0.21 0.73 -0.51 4.01 4.39 2fbwN1 ALA 26 H -0.03 0.10 0.06 -0.55 8.40 7.99 2fbwN1 ALA 26 HA 0.02 0.21 0.69 -0.75 4.34 4.52 2fbwN1 ALA 26 HB3 0.01 0.04 0.01 -0.04 1.41 1.43 2fbwN1 GLY 27 H -0.01 0.03 -0.09 -0.55 8.43 7.81 2fbwN1 GLY 27 HA2 -0.02 0.30 0.72 -0.51 4.01 4.50 2fbwN1 GLY 27 HA3 0.00 -0.10 0.38 -0.51 4.01 3.79 2fbwN1 GLY 28 H 0.02 0.05 0.11 -0.55 8.43 8.06 2fbwN1 GLY 28 HA2 0.03 0.23 0.26 -0.51 4.01 4.01 2fbwN1 GLY 28 HA3 0.03 0.04 0.26 -0.51 4.01 3.83 2fbwN1 ALA 29 H 0.02 -0.07 -0.14 -0.55 8.40 7.67 2fbwN1 ALA 29 HA 0.01 0.33 0.42 -0.75 4.34 4.34 2fbwN1 ALA 29 HB3 0.03 -0.02 -0.04 -0.04 1.41 1.33 2fbwN1 GLY 30 H -0.01 -0.09 -0.22 -0.55 8.43 7.56 2fbwN1 GLY 30 HA2 -0.06 0.07 0.20 -0.51 4.01 3.71 2fbwN1 GLY 30 HA3 -0.04 0.23 -0.00 -0.51 4.01 3.69 2fbwN1 LEU 31 H 0.01 0.36 -0.42 -0.55 8.37 7.77 2fbwN1 LEU 31 HA 0.10 0.07 0.41 -0.75 4.35 4.18 2fbwN1 LEU 31 HB2 0.07 0.06 -0.05 -0.04 1.64 1.68 2fbwN1 LEU 31 HB3 0.20 0.06 -0.17 -0.04 1.64 1.69 2fbwN1 LEU 31 HG 0.06 -0.10 -0.18 -0.04 1.64 1.38 2fbwN1 LEU 31 HD13 0.06 -0.02 -0.22 -0.04 0.93 0.71 2fbwN1 LEU 31 HD23 0.19 0.01 -0.04 -0.04 0.89 1.00 2fbwN1 ARG 32 H -0.07 0.40 -0.25 -0.55 8.46 7.99 2fbwN1 ARG 32 HA -0.79 0.06 0.30 -0.75 4.34 3.16 2fbwN1 ARG 32 HB2 -0.08 0.00 0.09 -0.04 1.90 1.87 2fbwN1 ARG 32 HB3 -0.12 0.00 0.10 -0.04 1.80 1.74 2fbwN1 ARG 32 HG2 -0.09 0.05 0.06 -0.04 1.67 1.65 2fbwN1 ARG 32 HG3 -0.25 0.00 -0.32 -0.04 1.67 1.07 2fbwN1 ARG 32 HD2 -0.61 0.00 0.03 -0.04 3.22 2.61 2fbwN1 ARG 32 HD3 0.05 -0.04 -0.00 -0.04 3.22 3.19 2fbwN1 ALA 33 H -0.17 0.52 -0.23 -0.55 8.40 7.98 2fbwN1 ALA 33 HA -0.22 0.19 0.35 -0.75 4.34 3.91 2fbwN1 ALA 33 HB3 -0.14 -0.03 -0.00 -0.04 1.41 1.20 2fbwN1 ALA 34 H -0.16 0.67 -0.14 -0.55 8.40 8.23 2fbwN1 ALA 34 HA -0.16 0.00 0.28 -0.75 4.34 3.71 2fbwN1 ALA 34 HB3 -0.09 0.00 0.03 -0.04 1.41 1.31 2fbwN1 PHE 35 H -0.15 0.64 -0.03 -0.55 8.34 8.25 2fbwN1 PHE 35 HA -0.23 0.04 0.58 -0.75 4.62 4.26 2fbwN1 PHE 35 HB2 -0.64 0.01 0.08 -0.04 3.15 2.56 2fbwN1 PHE 35 HB3 -0.07 -0.02 0.08 -0.04 3.06 3.01 2fbwN1 PHE 35 HD2 -0.30 -0.03 -0.21 -0.04 7.28 6.71 2fbwN1 PHE 35 HE2 -0.03 -0.05 -0.12 -0.04 7.38 7.14 2fbwN1 PHE 35 HZ -0.02 -0.04 -0.07 -0.04 7.32 7.14 2fbwN1 GLY 36 H -0.49 0.29 -0.62 -0.55 8.43 7.06 2fbwN1 GLY 36 HA2 -0.18 0.03 0.37 -0.51 4.01 3.71 2fbwN1 GLY 36 HA3 -0.27 0.10 0.26 -0.51 4.01 3.59 2fbwN1 LEU 37 H -0.19 0.54 -0.19 -0.55 8.37 7.99 2fbwN1 LEU 37 HA -0.16 0.07 0.42 -0.75 4.35 3.93 2fbwN1 LEU 37 HB2 -0.14 0.12 0.10 -0.04 1.64 1.69 2fbwN1 LEU 37 HB3 -0.10 -0.07 -0.13 -0.04 1.64 1.29 2fbwN1 LEU 37 HG -0.27 0.04 -0.03 -0.04 1.64 1.33 2fbwN1 LEU 37 HD13 -0.24 -0.04 -0.25 -0.04 0.93 0.37 2fbwN1 LEU 37 HD23 -0.60 0.00 -0.10 -0.04 0.89 0.15 2fbwN1 SER 38 H -0.06 0.45 -0.12 -0.55 8.46 8.20 2fbwN1 SER 38 HA 0.10 0.26 0.39 -0.75 4.49 4.49 2fbwN1 SER 38 HB2 -0.06 0.06 0.14 -0.04 3.95 4.05 2fbwN1 SER 38 HB3 0.15 -0.10 0.01 -0.04 3.93 3.95 2fbwN1 GLU 39 H -0.15 0.65 -0.23 -0.55 8.60 8.32 2fbwN1 GLU 39 HA 0.21 0.03 0.48 -0.75 4.29 4.25 2fbwN1 GLU 39 HB2 0.18 -0.06 0.10 -0.04 2.09 2.28 2fbwN1 GLU 39 HB3 -0.34 -0.00 0.09 -0.04 1.99 1.69 2fbwN1 GLU 39 HG2 -0.07 0.08 0.20 -0.04 2.34 2.51 2fbwN1 GLU 39 HG3 0.03 0.03 -0.19 -0.04 2.34 2.17 2fbwN1 ALA 40 H 0.09 0.34 -0.57 -0.55 8.40 7.72 2fbwN1 ALA 40 HA 0.10 0.09 0.69 -0.75 4.34 4.48 2fbwN1 ALA 40 HB3 0.21 0.00 0.12 -0.04 1.41 1.70 2fbwN1 GLY 41 H 0.12 0.43 -0.43 -0.55 8.43 8.00 2fbwN1 GLY 41 HA2 0.03 -0.00 0.28 -0.51 4.01 3.80 2fbwN1 GLY 41 HA3 -0.06 0.14 0.70 -0.51 4.01 4.27 2fbwN1 PHE 42 H 0.36 0.43 -0.14 -0.55 8.34 8.43 2fbwN1 PHE 42 HA 0.02 0.06 0.67 -0.75 4.62 4.62 2fbwN1 PHE 42 HB2 -0.03 -0.00 -0.18 -0.04 3.15 2.90 2fbwN1 PHE 42 HB3 -0.00 -0.09 -0.21 -0.04 3.06 2.72 2fbwN1 PHE 42 HD2 -0.02 0.00 -0.18 -0.04 7.28 7.05 2fbwN1 PHE 42 HE2 -0.02 0.03 -0.22 -0.04 7.38 7.13 2fbwN1 PHE 42 HZ -0.02 0.28 -0.21 -0.04 7.32 7.33 2fbwN1 ASN 43 H 0.12 0.10 0.18 -0.55 8.53 8.38 2fbwN1 ASN 43 HA 0.16 0.14 0.54 -0.75 4.76 4.84 2fbwN1 ASN 43 HB2 0.09 0.09 0.18 -0.04 2.88 3.19 2fbwN1 ASN 43 HB3 0.16 -0.22 0.33 -0.04 2.79 3.01 2fbwN1 ASN 43 HD21 -0.14 0.05 0.06 -0.04 7.03 6.96 2fbwN1 ASN 43 HD22 -0.04 -0.01 0.10 -0.04 7.74 7.75 2fbwN1 THR 44 H 0.13 0.26 0.17 -0.55 8.28 8.29 2fbwN1 THR 44 HA 0.02 0.25 0.99 -0.75 4.39 4.90 2fbwN1 THR 44 HB -0.05 -0.03 0.01 -0.04 4.32 4.22 2fbwN1 THR 44 HG23 -0.16 -0.00 -0.22 -0.04 1.22 0.80 2fbwN1 ALA 45 H -0.35 0.62 0.38 -0.55 8.40 8.51 2fbwN1 ALA 45 HA -0.50 0.36 1.04 -0.75 4.34 4.49 2fbwN1 ALA 45 HB3 -1.27 -0.01 0.02 -0.04 1.41 0.11 2fbwN1 CYS 46 H -0.45 0.71 0.25 -0.55 8.50 8.47 2fbwN1 CYS 46 HA -0.32 0.25 0.99 -0.75 4.58 4.75 2fbwN1 CYS 46 HB2 -0.53 0.02 -0.12 -0.04 2.97 2.29 2fbwN1 CYS 46 HB3 -1.11 -0.03 0.05 -0.04 2.97 1.84 2fbwN1 VAL 47 H -0.31 0.63 0.24 -0.55 8.24 8.26 2fbwN1 VAL 47 HA -0.23 0.21 0.76 -0.75 4.13 4.11 2fbwN1 VAL 47 HB -0.37 -0.04 0.08 -0.04 2.12 1.75 2fbwN1 VAL 47 HG13 -0.20 -0.00 -0.25 -0.04 0.97 0.47 2fbwN1 VAL 47 HG23 -1.24 0.02 -0.21 -0.04 0.95 -0.52 2fbwN1 THR 48 H -0.01 0.70 0.32 -0.55 8.28 8.75 2fbwN1 THR 48 HA -0.05 0.04 0.97 -0.75 4.39 4.59 2fbwN1 THR 48 HB -0.02 -0.06 -0.25 -0.04 4.32 3.94 2fbwN1 THR 48 HG23 0.04 0.01 -0.04 -0.04 1.22 1.19 2fbwN1 LYS 49 H -0.03 0.08 0.21 -0.55 8.42 8.13 2fbwN1 LYS 49 HA 0.08 0.08 0.54 -0.75 4.32 4.26 2fbwN1 LYS 49 HB2 0.14 0.03 0.05 -0.04 1.87 2.05 2fbwN1 LYS 49 HB3 -0.02 0.03 0.09 -0.04 1.79 1.85 2fbwN1 LYS 49 HG2 -0.04 -0.09 0.11 -0.04 1.46 1.40 2fbwN1 LYS 49 HG3 0.05 0.01 -0.15 -0.04 1.46 1.33 2fbwN1 LYS 49 HD2 0.21 0.04 -0.01 -0.04 1.69 1.88 2fbwN1 LYS 49 HD3 -0.12 0.01 0.04 -0.04 1.68 1.57 2fbwN1 LYS 49 HE2 -0.02 -0.07 0.09 -0.04 2.99 2.95 2fbwN1 LYS 49 HE3 0.06 -0.04 0.04 -0.04 2.99 3.01 2fbwN1 LEU 50 H 0.04 0.01 -0.21 -0.55 8.37 7.66 2fbwN1 LEU 50 HA 0.13 0.26 0.88 -0.75 4.35 4.87 2fbwN1 LEU 50 HB2 0.04 -0.08 -0.15 -0.04 1.64 1.40 2fbwN1 LEU 50 HB3 0.10 0.10 -0.02 -0.04 1.64 1.77 2fbwN1 LEU 50 HG 0.06 -0.10 -0.25 -0.04 1.64 1.32 2fbwN1 LEU 50 HD13 0.06 -0.01 -0.18 -0.04 0.93 0.76 2fbwN1 LEU 50 HD23 0.12 0.05 -0.07 -0.04 0.89 0.95 2fbwN1 PHE 51 H 0.25 0.17 0.09 -0.55 8.34 8.29 2fbwN1 PHE 51 HA -0.00 0.14 0.47 -0.75 4.62 4.48 2fbwN1 PHE 51 HB2 0.03 0.07 0.09 -0.04 3.15 3.29 2fbwN1 PHE 51 HB3 -0.02 -0.05 0.07 -0.04 3.06 3.02 2fbwN1 PHE 51 HD2 -0.08 -0.04 -0.08 -0.04 7.28 7.04 2fbwN1 PHE 51 HE2 -0.20 0.05 -0.02 -0.04 7.38 7.17 2fbwN1 PHE 51 HZ -0.27 0.08 -0.02 -0.04 7.32 7.08 2fbwN1 PRO 52 HA -0.23 -0.02 0.34 -0.51 4.44 4.03 2fbwN1 PRO 52 HB2 -0.82 0.03 0.10 -0.04 2.28 1.55 2fbwN1 PRO 52 HB3 -0.21 0.13 0.11 -0.04 2.02 2.00 2fbwN1 PRO 52 HG2 -0.40 0.13 0.06 -0.04 2.03 1.79 2fbwN1 PRO 52 HG3 -0.20 -0.01 0.09 -0.04 2.03 1.88 2fbwN1 PRO 52 HD2 -2.15 0.14 0.15 -0.04 3.68 1.78 2fbwN1 PRO 52 HD3 -0.57 0.13 0.25 -0.04 3.65 3.42 2fbwN1 THR 53 H -0.66 0.18 -0.17 -0.55 8.28 7.07 2fbwN1 THR 53 HA -0.31 0.06 0.28 -0.75 4.39 3.67 2fbwN1 THR 53 HB -0.65 0.04 0.10 -0.04 4.32 3.76 2fbwN1 THR 53 HG23 -0.56 0.02 -0.03 -0.04 1.22 0.61 2fbwN1 ARG 54 H -0.03 0.46 -0.59 -0.55 8.46 7.74 2fbwN1 ARG 54 HA 0.06 0.19 0.72 -0.75 4.34 4.55 2fbwN1 ARG 54 HB2 0.09 0.00 -0.04 -0.04 1.90 1.92 2fbwN1 ARG 54 HB3 0.10 -0.03 0.08 -0.04 1.80 1.91 2fbwN1 ARG 54 HG2 0.26 0.00 -0.05 -0.04 1.67 1.84 2fbwN1 ARG 54 HG3 0.16 -0.05 0.02 -0.04 1.67 1.76 2fbwN1 ARG 54 HD2 0.10 0.02 -0.03 -0.04 3.22 3.28 2fbwN1 ARG 54 HD3 0.13 0.03 -0.27 -0.04 3.22 3.07 2fbwN1 SER 55 H -0.05 0.53 -0.10 -0.55 8.46 8.30 2fbwN1 SER 55 HA 0.04 0.02 0.33 -0.75 4.49 4.13 2fbwN1 SER 55 HB2 -0.03 -0.02 0.10 -0.04 3.95 3.96 2fbwN1 SER 55 HB3 0.01 -0.23 0.09 -0.04 3.93 3.76 2fbwN1 HIS 56 H 0.12 0.12 0.16 -0.55 8.41 8.26 2fbwN1 HIS 56 HA 0.00 0.22 0.34 -0.75 4.63 4.44 2fbwN1 HIS 56 HB2 -0.02 0.02 0.17 -0.04 3.26 3.40 2fbwN1 HIS 56 HB3 -0.02 -0.09 0.09 -0.04 3.20 3.14 2fbwN1 HIS 56 HD2 -0.05 -0.07 -0.05 -0.04 6.97 6.76 2fbwN1 HIS 56 HE1 -0.05 0.40 0.00 -0.04 7.75 8.06 2fbwN1 THR 57 H 0.02 0.01 -0.36 -0.55 8.28 7.40 2fbwN1 THR 57 HA -0.05 -0.01 0.35 -0.75 4.39 3.93 2fbwN1 THR 57 HB -0.02 0.14 0.01 -0.04 4.32 4.41 2fbwN1 THR 57 HG23 -0.00 0.05 -0.07 -0.04 1.22 1.16 2fbwN1 VAL 58 H -0.05 0.58 -0.41 -0.55 8.24 7.81 2fbwN1 VAL 58 HA 0.00 0.06 0.05 -0.75 4.13 3.48 2fbwN1 VAL 58 HB -0.04 0.01 -0.06 -0.04 2.12 1.99 2fbwN1 VAL 58 HG13 0.03 -0.01 -0.27 -0.04 0.97 0.68 2fbwN1 VAL 58 HG23 0.09 0.02 0.10 -0.04 0.95 1.13 2fbwN1 ALA 59 H -0.18 0.58 -0.43 -0.55 8.40 7.81 2fbwN1 ALA 59 HA -0.02 0.23 0.77 -0.75 4.34 4.56 2fbwN1 ALA 59 HB3 -0.22 0.00 0.09 -0.04 1.41 1.24 2fbwN1 ALA 60 H -0.08 0.44 -0.25 -0.55 8.40 7.96 2fbwN1 ALA 60 HA -0.01 0.01 0.46 -0.75 4.34 4.04 2fbwN1 ALA 60 HB3 -0.01 -0.03 0.13 -0.04 1.41 1.46 2fbwN1 GLN 61 H 0.06 -0.04 0.21 -0.55 8.47 8.17 2fbwN1 GLN 61 HA 0.05 0.21 0.98 -0.75 4.36 4.85 2fbwN1 GLN 61 HB2 0.08 -0.27 0.22 -0.04 2.15 2.14 2fbwN1 GLN 61 HB3 0.07 0.08 0.04 -0.04 2.02 2.17 2fbwN1 GLN 61 HG2 0.03 0.22 0.03 -0.04 2.40 2.63 2fbwN1 GLN 61 HG3 0.02 0.13 -0.04 -0.04 2.39 2.47 2fbwN1 GLN 61 HE21 -0.02 0.48 0.06 -0.04 6.97 7.45 2fbwN1 GLN 61 HE22 -0.01 0.07 0.05 -0.04 7.69 7.77 2fbwN1 GLY 62 H 0.16 -0.01 0.20 -0.55 8.43 8.24 2fbwN1 GLY 62 HA2 0.24 0.11 0.43 -0.51 4.01 4.29 2fbwN1 GLY 62 HA3 0.36 -0.09 0.34 -0.51 4.01 4.11 2fbwN1 GLY 63 H -0.05 -0.02 -0.05 -0.55 8.43 7.77 2fbwN1 GLY 63 HA2 0.01 0.05 0.21 -0.51 4.01 3.78 2fbwN1 GLY 63 HA3 -0.11 0.32 0.67 -0.51 4.01 4.39 2fbwN1 ILE 64 H -0.02 0.79 0.24 -0.55 8.25 8.71 2fbwN1 ILE 64 HA -0.06 0.10 0.91 -0.75 4.18 4.37 2fbwN1 ILE 64 HB 0.04 -0.10 -0.19 -0.04 1.89 1.60 2fbwN1 ILE 64 HG12 0.03 0.12 -0.26 -0.04 1.49 1.34 2fbwN1 ILE 64 HG13 0.03 -0.10 -0.05 -0.04 1.21 1.05 2fbwN1 ILE 64 HG23 0.17 0.03 -0.04 -0.04 0.93 1.05 2fbwN1 ILE 64 HD13 0.07 -0.01 -0.28 -0.04 0.88 0.62 2fbwN1 ASN 65 H -0.05 0.48 0.21 -0.55 8.53 8.62 2fbwN1 ASN 65 HA -0.15 0.26 0.73 -0.75 4.76 4.86 2fbwN1 ASN 65 HB2 0.03 -0.03 -0.01 -0.04 2.88 2.82 2fbwN1 ASN 65 HB3 -0.46 -0.02 -0.16 -0.04 2.79 2.11 2fbwN1 ASN 65 HD21 -0.04 0.40 -0.13 -0.04 7.03 7.22 2fbwN1 ASN 65 HD22 0.08 -0.08 -0.32 -0.04 7.74 7.38 2fbwN1 ALA 66 H -0.14 0.59 0.28 -0.55 8.40 8.59 2fbwN1 ALA 66 HA 0.03 0.04 0.47 -0.75 4.34 4.13 2fbwN1 ALA 66 HB3 -0.06 0.05 -0.18 -0.04 1.41 1.18 2fbwN1 ALA 67 H 0.08 0.22 0.04 -0.55 8.40 8.20 2fbwN1 ALA 67 HA -0.01 0.09 0.60 -0.75 4.34 4.26 2fbwN1 ALA 67 HB3 0.07 0.00 -0.01 -0.04 1.41 1.43 2fbwN1 LEU 68 H -0.05 0.49 -0.09 -0.55 8.37 8.17 2fbwN1 LEU 68 HA -0.04 0.13 0.45 -0.75 4.35 4.13 2fbwN1 LEU 68 HB2 -0.08 -0.06 0.08 -0.04 1.64 1.54 2fbwN1 LEU 68 HB3 -0.07 0.06 0.00 -0.04 1.64 1.60 2fbwN1 LEU 68 HG -0.09 -0.07 -0.09 -0.04 1.64 1.35 2fbwN1 LEU 68 HD13 -0.18 0.01 -0.02 -0.04 0.93 0.70 2fbwN1 LEU 68 HD23 -0.08 0.03 0.01 -0.04 0.89 0.80 2fbwN1 GLY 69 H -0.03 0.02 -0.04 -0.55 8.43 7.84 2fbwN1 GLY 69 HA2 0.00 0.14 0.33 -0.51 4.01 3.98 2fbwN1 GLY 69 HA3 -0.02 0.11 0.51 -0.51 4.01 4.10 2fbwN1 ASN 70 H -0.04 -0.01 -0.09 -0.55 8.53 7.85 2fbwN1 ASN 70 HA -0.02 0.19 0.47 -0.75 4.76 4.65 2fbwN1 ASN 70 HB2 -0.06 -0.01 0.04 -0.04 2.88 2.81 2fbwN1 ASN 70 HB3 -0.02 -0.00 -0.04 -0.04 2.79 2.69 2fbwN1 ASN 70 HD21 -0.10 -0.10 0.05 -0.04 7.03 6.83 2fbwN1 ASN 70 HD22 -0.09 0.54 0.10 -0.04 7.74 8.24 2fbwN1 MET 71 H -0.01 -0.03 -0.13 -0.55 8.47 7.75 2fbwN1 MET 71 HA -0.02 0.19 0.87 -0.75 4.52 4.82 2fbwN1 MET 71 HB2 0.01 -0.01 0.04 -0.04 2.15 2.14 2fbwN1 MET 71 HB3 -0.08 0.03 0.05 -0.04 2.03 1.98 2fbwN1 MET 71 HG2 -0.06 -0.07 0.03 -0.04 2.63 2.48 2fbwN1 MET 71 HG3 -0.10 0.23 0.04 -0.04 2.56 2.70 2fbwN1 MET 71 HE3 0.04 0.04 0.04 -0.04 2.10 2.17 2fbwN1 GLU 72 H 0.03 0.19 0.05 -0.55 8.60 8.32 2fbwN1 GLU 72 HA 0.02 0.14 0.45 -0.75 4.29 4.15 2fbwN1 GLU 72 HB2 0.05 0.01 0.12 -0.04 2.09 2.23 2fbwN1 GLU 72 HB3 0.03 0.06 -0.25 -0.04 1.99 1.79 2fbwN1 GLU 72 HG2 0.12 0.12 -0.61 -0.04 2.34 1.94 2fbwN1 GLU 72 HG3 0.12 0.05 -0.08 -0.04 2.34 2.39 2fbwN1 ASP 73 H 0.07 0.13 0.11 -0.55 8.40 8.17 2fbwN1 ASP 73 HA 0.03 0.13 0.55 -0.75 4.63 4.59 2fbwN1 ASP 73 HB2 0.09 -0.01 0.16 -0.04 2.71 2.91 2fbwN1 ASP 73 HB3 0.10 0.01 -0.04 -0.04 2.70 2.73 2fbwN1 ASP 74 H -0.05 0.26 0.23 -0.55 8.40 8.30 2fbwN1 ASP 74 HA 0.18 0.19 0.95 -0.75 4.63 5.19 2fbwN1 ASP 74 HB2 0.04 0.05 -0.18 -0.04 2.71 2.58 2fbwN1 ASP 74 HB3 -0.05 0.05 -0.18 -0.04 2.70 2.48 2fbwN1 ASN 75 H -0.34 0.21 0.17 -0.55 8.53 8.03 2fbwN1 ASN 75 HA -0.51 0.23 0.76 -0.75 4.76 4.49 2fbwN1 ASN 75 HB2 -1.84 0.19 -0.22 -0.04 2.88 0.97 2fbwN1 ASN 75 HB3 -2.77 -0.14 0.10 -0.04 2.79 -0.06 2fbwN1 ASN 75 HD21 -0.50 0.09 0.04 -0.04 7.03 6.62 2fbwN1 ASN 75 HD22 -0.73 0.07 0.01 -0.04 7.74 7.05 2fbwN1 TRP 76 H -0.08 0.34 0.20 -0.55 7.97 7.89 2fbwN1 TRP 76 HA 0.01 0.01 0.43 -0.75 4.62 4.32 2fbwN1 TRP 76 HB2 -0.01 0.12 -0.04 -0.04 3.23 3.26 2fbwN1 TRP 76 HB3 -0.07 0.09 0.18 -0.04 3.23 3.40 2fbwN1 TRP 76 HD1 -0.12 0.05 0.12 -0.04 7.22 7.23 2fbwN1 TRP 76 HE1 -0.09 0.07 0.04 -0.04 10.20 10.18 2fbwN1 TRP 76 HE3 -0.02 -0.14 -0.37 -0.04 7.59 7.02 2fbwN1 TRP 76 HZ2 -0.10 0.06 -0.05 -0.04 7.44 7.31 2fbwN1 TRP 76 HZ3 -0.46 -0.03 -0.02 -0.04 7.13 6.58 2fbwN1 TRP 76 HH2 -0.68 -0.01 -0.09 -0.04 7.19 6.37 2fbwN1 ARG 77 H -1.06 0.16 -0.21 -0.55 8.46 6.79 2fbwN1 ARG 77 HA -0.48 0.11 0.43 -0.75 4.34 3.65 2fbwN1 ARG 77 HB2 -0.57 0.01 0.04 -0.04 1.90 1.34 2fbwN1 ARG 77 HB3 -0.23 0.07 0.11 -0.04 1.80 1.71 2fbwN1 ARG 77 HG2 -1.75 0.04 0.05 -0.04 1.67 -0.03 2fbwN1 ARG 77 HG3 -2.43 -0.12 0.06 -0.04 1.67 -0.86 2fbwN1 ARG 77 HD2 -0.48 -0.06 0.06 -0.04 3.22 2.69 2fbwN1 ARG 77 HD3 -0.37 0.10 0.13 -0.04 3.22 3.03 2fbwN1 TRP 78 H -0.34 0.39 -0.32 -0.55 7.97 7.16 2fbwN1 TRP 78 HA -0.52 0.07 0.54 -0.75 4.62 3.95 2fbwN1 TRP 78 HB2 -0.15 0.17 0.20 -0.04 3.23 3.42 2fbwN1 TRP 78 HB3 -0.19 0.10 0.10 -0.04 3.23 3.21 2fbwN1 TRP 78 HD1 -2.07 0.10 -0.11 -0.04 7.22 5.09 2fbwN1 TRP 78 HE1 -0.34 0.15 -0.02 -0.04 10.20 9.95 2fbwN1 TRP 78 HE3 -0.10 0.07 0.15 -0.04 7.59 7.66 2fbwN1 TRP 78 HZ2 -0.08 0.11 -0.02 -0.04 7.44 7.41 2fbwN1 TRP 78 HZ3 -0.06 0.36 0.02 -0.04 7.13 7.42 2fbwN1 TRP 78 HH2 -0.05 0.12 -0.09 -0.04 7.19 7.12 2fbwN1 HIS 79 H 0.28 0.24 -0.10 -0.55 8.41 8.28 2fbwN1 HIS 79 HA 0.14 0.06 0.50 -0.75 4.63 4.57 2fbwN1 HIS 79 HB2 0.13 -0.05 0.09 -0.04 3.26 3.40 2fbwN1 HIS 79 HB3 0.22 0.21 0.20 -0.04 3.20 3.78 2fbwN1 HIS 79 HD2 0.08 -0.02 0.04 -0.04 6.97 7.02 2fbwN1 HIS 79 HE1 0.04 0.13 -0.16 -0.04 7.75 7.71 2fbwN1 PHE 80 H 0.37 0.48 -0.10 -0.55 8.34 8.54 2fbwN1 PHE 80 HA 0.05 0.03 0.35 -0.75 4.62 4.30 2fbwN1 PHE 80 HB2 0.30 -0.00 0.07 -0.04 3.15 3.48 2fbwN1 PHE 80 HB3 0.10 0.16 0.19 -0.04 3.06 3.48 2fbwN1 PHE 80 HD2 0.20 0.04 -0.22 -0.04 7.28 7.26 2fbwN1 PHE 80 HE2 0.15 0.15 -0.06 -0.04 7.38 7.57 2fbwN1 PHE 80 HZ 0.11 -0.02 -0.11 -0.04 7.32 7.26 2fbwN1 TYR 81 H 0.44 0.45 -0.23 -0.55 8.29 8.41 2fbwN1 TYR 81 HA -0.09 0.06 0.41 -0.75 4.56 4.18 2fbwN1 TYR 81 HB2 0.56 0.08 0.14 -0.04 3.06 3.79 2fbwN1 TYR 81 HB3 0.20 0.03 0.16 -0.04 2.98 3.33 2fbwN1 TYR 81 HD2 0.19 -0.01 -0.15 -0.04 7.15 7.14 2fbwN1 TYR 81 HE2 0.12 0.02 -0.17 -0.04 6.85 6.79 2fbwN1 ASP 82 H 0.21 0.49 -0.18 -0.55 8.40 8.37 2fbwN1 ASP 82 HA -0.03 0.05 0.44 -0.75 4.63 4.33 2fbwN1 ASP 82 HB2 0.19 0.02 0.18 -0.04 2.71 3.07 2fbwN1 ASP 82 HB3 0.11 0.17 0.15 -0.04 2.70 3.09 2fbwN1 THR 83 H -0.06 0.47 -0.30 -0.55 8.28 7.84 2fbwN1 THR 83 HA -0.06 0.00 0.42 -0.75 4.39 4.00 2fbwN1 THR 83 HB -0.16 0.11 0.13 -0.04 4.32 4.36 2fbwN1 THR 83 HG23 -0.03 -0.04 0.01 -0.04 1.22 1.13 2fbwN1 VAL 84 H -0.44 0.52 -0.09 -0.55 8.24 7.68 2fbwN1 VAL 84 HA -0.47 -0.02 0.36 -0.75 4.13 3.24 2fbwN1 VAL 84 HB -0.60 0.10 0.17 -0.04 2.12 1.75 2fbwN1 VAL 84 HG13 -0.55 -0.01 -0.08 -0.04 0.97 0.29 2fbwN1 VAL 84 HG23 -0.89 0.05 -0.01 -0.04 0.95 0.05 2fbwN1 LYS 85 H -0.66 0.59 -0.08 -0.55 8.42 7.72 2fbwN1 LYS 85 HA -1.62 0.03 0.38 -0.75 4.32 2.35 2fbwN1 LYS 85 HB2 -0.64 0.03 0.07 -0.04 1.87 1.29 2fbwN1 LYS 85 HB3 -0.44 0.07 0.12 -0.04 1.79 1.50 2fbwN1 LYS 85 HG2 -0.14 -0.04 -0.32 -0.04 1.46 0.92 2fbwN1 LYS 85 HG3 -0.05 -0.01 -0.00 -0.04 1.46 1.36 2fbwN1 LYS 85 HD2 -0.03 0.05 -0.02 -0.04 1.69 1.64 2fbwN1 LYS 85 HD3 -0.13 -0.01 -0.04 -0.04 1.68 1.45 2fbwN1 LYS 85 HE2 -0.91 -0.09 -0.09 -0.04 2.99 1.86 2fbwN1 LYS 85 HE3 -0.20 -0.09 0.05 -0.04 2.99 2.71 2fbwN1 GLY 86 H -0.24 0.63 -0.16 -0.55 8.43 8.11 2fbwN1 GLY 86 HA2 0.05 -0.06 0.41 -0.51 4.01 3.90 2fbwN1 GLY 86 HA3 -0.05 0.03 0.34 -0.51 4.01 3.82 2fbwN1 SER 87 H -0.30 0.44 -0.44 -0.55 8.46 7.62 2fbwN1 SER 87 HA -0.09 0.15 0.48 -0.75 4.49 4.27 2fbwN1 SER 87 HB2 -0.12 -0.28 -0.33 -0.04 3.95 3.18 2fbwN1 SER 87 HB3 -0.14 0.19 -0.13 -0.04 3.93 3.81 2fbwN1 ASP 88 H -0.34 0.56 -0.58 -0.55 8.40 7.49 2fbwN1 ASP 88 HA 0.03 0.13 0.32 -0.75 4.63 4.35 2fbwN1 ASP 88 HB2 0.06 0.01 -0.22 -0.04 2.71 2.52 2fbwN1 ASP 88 HB3 0.08 0.03 0.16 -0.04 2.70 2.93 2fbwN1 TRP 89 H -0.68 0.31 -0.14 -0.55 7.97 6.91 2fbwN1 TRP 89 HA -0.07 0.03 0.23 -0.75 4.62 4.06 2fbwN1 TRP 89 HB2 -0.06 0.11 -0.15 -0.04 3.23 3.09 2fbwN1 TRP 89 HB3 -0.07 -0.01 0.18 -0.04 3.23 3.30 2fbwN1 TRP 89 HD1 -0.08 0.01 -0.02 -0.04 7.22 7.09 2fbwN1 TRP 89 HE1 -0.09 0.24 -0.36 -0.04 10.20 9.95 2fbwN1 TRP 89 HE3 -0.05 0.00 -0.25 -0.04 7.59 7.26 2fbwN1 TRP 89 HZ2 -0.12 0.04 -0.14 -0.04 7.44 7.18 2fbwN1 TRP 89 HZ3 -0.05 0.02 -0.04 -0.04 7.13 7.02 2fbwN1 TRP 89 HH2 -0.11 0.03 -0.09 -0.04 7.19 6.99 2fbwN1 LEU 90 H -0.09 0.19 -0.39 -0.55 8.37 7.53 2fbwN1 LEU 90 HA -0.08 0.23 0.78 -0.75 4.35 4.52 2fbwN1 LEU 90 HB2 -0.13 0.14 -0.08 -0.04 1.64 1.54 2fbwN1 LEU 90 HB3 -0.19 -0.23 -0.08 -0.04 1.64 1.10 2fbwN1 LEU 90 HG -0.26 -0.09 0.01 -0.04 1.64 1.26 2fbwN1 LEU 90 HD13 -0.09 0.06 -0.13 -0.04 0.93 0.74 2fbwN1 LEU 90 HD23 -0.41 0.00 -0.15 -0.04 0.89 0.29 2fbwN1 GLY 91 H -0.12 -0.02 -0.15 -0.55 8.43 7.59 2fbwN1 GLY 91 HA2 0.01 0.02 0.45 -0.51 4.01 3.98 2fbwN1 GLY 91 HA3 -0.09 0.05 0.09 -0.51 4.01 3.55 2fbwN1 ASP 92 H 0.05 0.48 0.28 -0.55 8.40 8.67 2fbwN1 ASP 92 HA 0.11 0.32 0.78 -0.75 4.63 5.10 2fbwN1 ASP 92 HB2 0.07 -0.08 0.23 -0.04 2.71 2.89 2fbwN1 ASP 92 HB3 0.11 -0.04 0.17 -0.04 2.70 2.90 2fbwN1 GLN 93 H 0.12 0.74 0.26 -0.55 8.47 9.05 2fbwN1 GLN 93 HA 0.17 -0.04 0.29 -0.75 4.36 4.03 2fbwN1 GLN 93 HB2 0.21 0.17 -0.25 -0.04 2.15 2.24 2fbwN1 GLN 93 HB3 0.41 -0.10 -0.08 -0.04 2.02 2.21 2fbwN1 GLN 93 HG2 -0.02 -0.10 -0.06 -0.04 2.40 2.19 2fbwN1 GLN 93 HG3 0.10 0.21 0.12 -0.04 2.39 2.78 2fbwN1 GLN 93 HE21 0.29 0.35 0.07 -0.04 6.97 7.64 2fbwN1 GLN 93 HE22 0.20 0.03 0.03 -0.04 7.69 7.90 2fbwN1 ASP 94 H 0.13 0.16 -0.27 -0.55 8.40 7.88 2fbwN1 ASP 94 HA 0.08 -0.04 0.43 -0.75 4.63 4.34 2fbwN1 ASP 94 HB2 -0.25 -0.01 -0.07 -0.04 2.71 2.34 2fbwN1 ASP 94 HB3 0.01 0.21 -0.09 -0.04 2.70 2.80 2fbwN1 ALA 95 H 0.14 0.23 -0.27 -0.55 8.40 7.96 2fbwN1 ALA 95 HA 0.32 0.11 0.46 -0.75 4.34 4.48 2fbwN1 ALA 95 HB3 0.13 0.04 -0.16 -0.04 1.41 1.39 2fbwN1 ILE 96 H 0.17 0.54 -0.13 -0.55 8.25 8.28 2fbwN1 ILE 96 HA 0.14 -0.01 0.38 -0.75 4.18 3.94 2fbwN1 ILE 96 HB 0.13 0.05 0.00 -0.04 1.89 2.03 2fbwN1 ILE 96 HG12 -0.05 0.06 0.02 -0.04 1.49 1.48 2fbwN1 ILE 96 HG13 0.01 -0.01 -0.02 -0.04 1.21 1.16 2fbwN1 ILE 96 HG23 -0.02 -0.01 -0.11 -0.04 0.93 0.75 2fbwN1 ILE 96 HD13 -0.15 -0.01 -0.34 -0.04 0.88 0.34 2fbwN1 HIS 97 H 0.45 0.48 -0.40 -0.55 8.41 8.39 2fbwN1 HIS 97 HA 0.35 -0.02 0.39 -0.75 4.63 4.59 2fbwN1 HIS 97 HB2 0.14 0.09 0.14 -0.04 3.26 3.60 2fbwN1 HIS 97 HB3 0.09 0.18 0.21 -0.04 3.20 3.63 2fbwN1 HIS 97 HD2 -0.24 -0.04 -0.27 -0.04 6.97 6.37 2fbwN1 HIS 97 HE1 0.04 0.03 -0.08 -0.04 7.75 7.69 2fbwN1 TYR 98 H 0.21 0.47 -0.15 -0.55 8.29 8.27 2fbwN1 TYR 98 HA -0.16 0.02 0.33 -0.75 4.56 4.00 2fbwN1 TYR 98 HB2 -0.09 0.03 0.13 -0.04 3.06 3.09 2fbwN1 TYR 98 HB3 0.10 0.06 0.15 -0.04 2.98 3.24 2fbwN1 TYR 98 HD2 -0.26 -0.04 -0.09 -0.04 7.15 6.72 2fbwN1 TYR 98 HE2 -0.21 0.03 -0.07 -0.04 6.85 6.55 2fbwN1 MET 99 H 0.20 0.61 -0.19 -0.55 8.47 8.54 2fbwN1 MET 99 HA -0.24 0.03 0.30 -0.75 4.52 3.86 2fbwN1 MET 99 HB2 0.30 0.03 0.05 -0.04 2.15 2.50 2fbwN1 MET 99 HB3 0.10 0.03 0.08 -0.04 2.03 2.21 2fbwN1 MET 99 HG2 0.02 -0.00 -0.25 -0.04 2.63 2.36 2fbwN1 MET 99 HG3 0.02 -0.02 -0.10 -0.04 2.56 2.42 2fbwN1 MET 99 HE3 0.06 0.01 -0.06 -0.04 2.10 2.06 2fbwN1 THR 100 H 0.04 0.69 -0.02 -0.55 8.28 8.44 2fbwN1 THR 100 HA -0.07 0.01 0.48 -0.75 4.39 4.06 2fbwN1 THR 100 HB 0.18 -0.07 0.04 -0.04 4.32 4.42 2fbwN1 THR 100 HG23 -0.50 0.01 -0.17 -0.04 1.22 0.53 2fbwN1 GLU 101 H -0.34 0.63 -0.10 -0.55 8.60 8.25 2fbwN1 GLU 101 HA -1.38 -0.06 0.44 -0.75 4.29 2.53 2fbwN1 GLU 101 HB2 -1.92 -0.03 0.10 -0.04 2.09 0.20 2fbwN1 GLU 101 HB3 -0.72 0.12 0.07 -0.04 1.99 1.42 2fbwN1 GLU 101 HG2 -0.77 0.02 -0.09 -0.04 2.34 1.46 2fbwN1 GLU 101 HG3 -2.01 -0.09 0.07 -0.04 2.34 0.28 2fbwN1 GLN 102 H -0.47 0.52 -0.24 -0.55 8.47 7.73 2fbwN1 GLN 102 HA -0.36 0.07 0.59 -0.75 4.36 3.90 2fbwN1 GLN 102 HB2 -0.52 0.10 0.09 -0.04 2.15 1.78 2fbwN1 GLN 102 HB3 -0.38 -0.10 0.08 -0.04 2.02 1.58 2fbwN1 GLN 102 HG2 -1.04 0.17 0.10 -0.04 2.40 1.60 2fbwN1 GLN 102 HG3 -1.37 -0.04 -0.00 -0.04 2.39 0.94 2fbwN1 GLN 102 HE21 -0.26 0.00 -0.06 -0.04 6.97 6.61 2fbwN1 GLN 102 HE22 -0.47 -0.02 -0.08 -0.04 7.69 7.08 2fbwN1 ALA 103 H -0.18 0.34 -0.43 -0.55 8.40 7.58 2fbwN1 ALA 103 HA -0.08 -0.02 0.34 -0.75 4.34 3.82 2fbwN1 ALA 103 HB3 0.06 0.05 0.20 -0.04 1.41 1.69 2fbwN1 PRO 104 HA -0.06 -0.00 0.45 -0.51 4.44 4.31 2fbwN1 PRO 104 HB2 -0.08 0.08 0.02 -0.04 2.28 2.26 2fbwN1 PRO 104 HB3 -0.05 0.05 -0.02 -0.04 2.02 1.96 2fbwN1 PRO 104 HG2 -0.01 0.09 0.05 -0.04 2.03 2.12 2fbwN1 PRO 104 HG3 0.00 -0.16 -0.12 -0.04 2.03 1.71 2fbwN1 PRO 104 HD2 -0.16 0.39 -0.05 -0.04 3.68 3.82 2fbwN1 PRO 104 HD3 -0.02 0.13 0.14 -0.04 3.65 3.86 2fbwN1 ALA 105 H -0.13 0.26 -0.23 -0.55 8.40 7.76 2fbwN1 ALA 105 HA -0.08 0.03 0.38 -0.75 4.34 3.91 2fbwN1 ALA 105 HB3 -0.12 0.05 0.08 -0.04 1.41 1.38 2fbwN1 ALA 106 H -0.11 0.49 -0.17 -0.55 8.40 8.06 2fbwN1 ALA 106 HA -0.07 0.06 0.37 -0.75 4.34 3.94 2fbwN1 ALA 106 HB3 -0.07 0.01 0.02 -0.04 1.41 1.33 2fbwN1 VAL 107 H -0.06 0.52 -0.15 -0.55 8.24 8.00 2fbwN1 VAL 107 HA 0.04 -0.00 0.45 -0.75 4.13 3.87 2fbwN1 VAL 107 HB -0.11 0.08 0.10 -0.04 2.12 2.15 2fbwN1 VAL 107 HG13 -0.26 -0.02 -0.09 -0.04 0.97 0.56 2fbwN1 VAL 107 HG23 -0.02 0.02 -0.09 -0.04 0.95 0.82 2fbwN1 ILE 108 H -0.08 0.56 -0.06 -0.55 8.25 8.11 2fbwN1 ILE 108 HA -0.07 -0.01 0.40 -0.75 4.18 3.75 2fbwN1 ILE 108 HB -0.07 0.11 0.16 -0.04 1.89 2.05 2fbwN1 ILE 108 HG12 -0.07 -0.02 0.03 -0.04 1.49 1.39 2fbwN1 ILE 108 HG13 -0.09 -0.03 0.07 -0.04 1.21 1.12 2fbwN1 ILE 108 HG23 -0.05 0.00 -0.13 -0.04 0.93 0.70 2fbwN1 ILE 108 HD13 -0.06 -0.01 -0.07 -0.04 0.88 0.70 2fbwN1 GLU 109 H -0.10 0.53 -0.24 -0.55 8.60 8.23 2fbwN1 GLU 109 HA -0.24 0.04 0.37 -0.75 4.29 3.70 2fbwN1 GLU 109 HB2 -0.14 0.03 0.09 -0.04 2.09 2.03 2fbwN1 GLU 109 HB3 -0.17 0.12 0.14 -0.04 1.99 2.04 2fbwN1 GLU 109 HG2 -0.92 -0.02 -0.25 -0.04 2.34 1.11 2fbwN1 GLU 109 HG3 -0.38 0.01 -0.03 -0.04 2.34 1.90 2fbwN1 LEU 110 H -0.09 0.39 -0.20 -0.55 8.37 7.93 2fbwN1 LEU 110 HA -0.10 0.03 0.32 -0.75 4.35 3.84 2fbwN1 LEU 110 HB2 0.21 0.11 0.15 -0.04 1.64 2.07 2fbwN1 LEU 110 HB3 0.14 -0.08 -0.03 -0.04 1.64 1.63 2fbwN1 LEU 110 HG 0.05 0.16 0.07 -0.04 1.64 1.87 2fbwN1 LEU 110 HD13 0.13 -0.05 -0.05 -0.04 0.93 0.92 2fbwN1 LEU 110 HD23 0.22 -0.02 -0.01 -0.04 0.89 1.04 2fbwN1 GLU 111 H 0.14 0.56 -0.08 -0.55 8.60 8.68 2fbwN1 GLU 111 HA 0.27 0.07 0.58 -0.75 4.29 4.46 2fbwN1 GLU 111 HB2 0.21 -0.06 0.11 -0.04 2.09 2.31 2fbwN1 GLU 111 HB3 0.06 0.08 0.13 -0.04 1.99 2.21 2fbwN1 GLU 111 HG2 0.31 0.11 0.09 -0.04 2.34 2.81 2fbwN1 GLU 111 HG3 0.10 -0.08 0.00 -0.04 2.34 2.32 2fbwN1 ASN 112 H -0.04 0.75 -0.09 -0.55 8.53 8.60 2fbwN1 ASN 112 HA 0.04 0.04 0.48 -0.75 4.76 4.56 2fbwN1 ASN 112 HB2 -0.08 0.10 0.12 -0.04 2.88 2.97 2fbwN1 ASN 112 HB3 0.02 -0.05 0.09 -0.04 2.79 2.81 2fbwN1 ASN 112 HD21 -0.01 -0.06 -0.03 -0.04 7.03 6.88 2fbwN1 ASN 112 HD22 -0.01 -0.00 -0.03 -0.04 7.74 7.66 2fbwN1 TYR 113 H 0.05 0.23 -0.66 -0.55 8.29 7.36 2fbwN1 TYR 113 HA 0.02 0.07 0.59 -0.75 4.56 4.48 2fbwN1 TYR 113 HB2 0.05 0.12 0.10 -0.04 3.06 3.29 2fbwN1 TYR 113 HB3 0.01 -0.05 0.05 -0.04 2.98 2.96 2fbwN1 TYR 113 HD2 0.07 -0.02 -0.10 -0.04 7.15 7.07 2fbwN1 TYR 113 HE2 0.20 -0.05 -0.08 -0.04 6.85 6.88 2fbwN1 GLY 114 H 0.12 0.51 -0.34 -0.55 8.43 8.18 2fbwN1 GLY 114 HA2 0.07 0.02 0.24 -0.51 4.01 3.82 2fbwN1 GLY 114 HA3 0.06 0.17 0.88 -0.51 4.01 4.61 2fbwN1 MET 115 H 0.08 0.38 0.08 -0.55 8.47 8.46 2fbwN1 MET 115 HA -0.07 0.06 0.35 -0.75 4.52 4.10 2fbwN1 MET 115 HB2 -0.04 0.12 -0.06 -0.04 2.15 2.13 2fbwN1 MET 115 HB3 -0.33 -0.11 -0.10 -0.04 2.03 1.45 2fbwN1 MET 115 HG2 -0.67 -0.04 -0.29 -0.04 2.63 1.60 2fbwN1 MET 115 HG3 -0.20 0.10 -0.28 -0.04 2.56 2.14 2fbwN1 MET 115 HE3 -0.40 -0.00 -0.13 -0.04 2.10 1.52 2fbwN1 PRO 116 HA 0.04 0.17 0.45 -0.51 4.44 4.59 2fbwN1 PRO 116 HB2 0.01 -0.02 0.18 -0.04 2.28 2.41 2fbwN1 PRO 116 HB3 0.01 0.08 0.13 -0.04 2.02 2.19 2fbwN1 PRO 116 HG2 -0.03 -0.08 0.03 -0.04 2.03 1.90 2fbwN1 PRO 116 HG3 -0.00 0.02 0.08 -0.04 2.03 2.08 2fbwN1 PRO 116 HD2 -0.10 -0.05 0.11 -0.04 3.68 3.59 2fbwN1 PRO 116 HD3 -0.03 0.29 0.24 -0.04 3.65 4.11 2fbwN1 PHE 117 H 0.08 0.49 -0.10 -0.55 8.34 8.25 2fbwN1 PHE 117 HA 0.06 -0.07 0.37 -0.75 4.62 4.22 2fbwN1 PHE 117 HB2 0.04 0.04 0.08 -0.04 3.15 3.26 2fbwN1 PHE 117 HB3 0.05 0.08 0.12 -0.04 3.06 3.27 2fbwN1 PHE 117 HD2 0.03 0.13 -0.07 -0.04 7.28 7.33 2fbwN1 PHE 117 HE2 0.00 -0.02 -0.19 -0.04 7.38 7.13 2fbwN1 PHE 117 HZ 0.00 -0.06 -0.09 -0.04 7.32 7.14 2fbwN1 SER 118 H 0.27 0.40 0.49 -0.55 8.46 9.07 2fbwN1 SER 118 HA 0.08 0.11 0.62 -0.75 4.49 4.54 2fbwN1 SER 118 HB2 0.25 -0.00 0.15 -0.04 3.95 4.31 2fbwN1 SER 118 HB3 -0.01 0.04 0.13 -0.04 3.93 4.04 2fbwN1 ARG 119 H 0.04 0.14 0.18 -0.55 8.46 8.26 2fbwN1 ARG 119 HA 0.11 0.28 1.07 -0.75 4.34 5.05 2fbwN1 ARG 119 HB2 0.03 -0.05 0.03 -0.04 1.90 1.87 2fbwN1 ARG 119 HB3 0.05 0.02 -0.02 -0.04 1.80 1.81 2fbwN1 ARG 119 HG2 0.08 0.04 -0.36 -0.04 1.67 1.39 2fbwN1 ARG 119 HG3 0.05 -0.01 -0.10 -0.04 1.67 1.57 2fbwN1 ARG 119 HD2 0.05 0.14 -0.31 -0.04 3.22 3.06 2fbwN1 ARG 119 HD3 0.08 0.06 -0.43 -0.04 3.22 2.89 2fbwN1 THR 120 H 0.07 0.51 0.13 -0.55 8.28 8.44 2fbwN1 THR 120 HA 0.08 0.21 0.74 -0.75 4.39 4.67 2fbwN1 THR 120 HB 0.06 -0.03 0.17 -0.04 4.32 4.48 2fbwN1 THR 120 HG23 0.12 0.07 -0.24 -0.04 1.22 1.13 2fbwN1 GLU 121 H 0.03 0.19 0.16 -0.55 8.60 8.43 2fbwN1 GLU 121 HA 0.01 0.14 0.40 -0.75 4.29 4.09 2fbwN1 GLU 121 HB2 0.01 0.00 0.04 -0.04 2.09 2.11 2fbwN1 GLU 121 HB3 0.01 0.05 0.09 -0.04 1.99 2.09 2fbwN1 GLU 121 HG2 0.02 -0.06 0.12 -0.04 2.34 2.38 2fbwN1 GLU 121 HG3 0.01 0.03 0.06 -0.04 2.34 2.41 2fbwN1 GLU 122 H 0.02 -0.01 -0.28 -0.55 8.60 7.79 2fbwN1 GLU 122 HA 0.01 0.22 0.71 -0.75 4.29 4.48 2fbwN1 GLU 122 HB2 0.01 -0.07 0.00 -0.04 2.09 1.99 2fbwN1 GLU 122 HB3 0.01 0.05 0.10 -0.04 1.99 2.10 2fbwN1 GLU 122 HG2 0.01 0.05 -0.01 -0.04 2.34 2.35 2fbwN1 GLU 122 HG3 0.01 -0.08 -0.04 -0.04 2.34 2.19 2fbwN1 GLY 123 H 0.02 0.40 -0.42 -0.55 8.43 7.88 2fbwN1 GLY 123 HA2 0.02 0.08 0.26 -0.51 4.01 3.86 2fbwN1 GLY 123 HA3 0.02 0.15 0.54 -0.51 4.01 4.21 2fbwN1 LYS 124 H 0.02 -0.12 -0.27 -0.55 8.42 7.49 2fbwN1 LYS 124 HA -0.00 0.23 0.63 -0.75 4.32 4.43 2fbwN1 LYS 124 HB2 0.00 -0.04 -0.06 -0.04 1.87 1.73 2fbwN1 LYS 124 HB3 -0.03 -0.06 0.07 -0.04 1.79 1.74 2fbwN1 LYS 124 HG2 -0.01 0.06 -0.09 -0.04 1.46 1.38 2fbwN1 LYS 124 HG3 0.00 0.02 -0.25 -0.04 1.46 1.19 2fbwN1 LYS 124 HD2 -0.00 -0.01 -0.04 -0.04 1.69 1.60 2fbwN1 LYS 124 HD3 -0.02 -0.01 -0.04 -0.04 1.68 1.57 2fbwN1 LYS 124 HE2 -0.01 0.02 -0.05 -0.04 2.99 2.90 2fbwN1 LYS 124 HE3 -0.00 0.02 -0.04 -0.04 2.99 2.92 2fbwN1 ILE 125 H -0.06 0.09 0.09 -0.55 8.25 7.81 2fbwN1 ILE 125 HA 0.01 0.28 0.48 -0.75 4.18 4.21 2fbwN1 ILE 125 HB -0.22 -0.10 0.10 -0.04 1.89 1.63 2fbwN1 ILE 125 HG12 -0.29 0.08 0.01 -0.04 1.49 1.25 2fbwN1 ILE 125 HG13 -0.12 -0.01 0.02 -0.04 1.21 1.06 2fbwN1 ILE 125 HG23 -0.44 0.00 -0.16 -0.04 0.93 0.30 2fbwN1 ILE 125 HD13 -0.50 -0.01 -0.03 -0.04 0.88 0.29 2fbwN1 TYR 126 H 0.18 0.69 0.21 -0.55 8.29 8.82 2fbwN1 TYR 126 HA 0.00 0.00 0.38 -0.75 4.56 4.19 2fbwN1 TYR 126 HB2 0.03 0.03 -0.37 -0.04 3.06 2.71 2fbwN1 TYR 126 HB3 0.06 -0.00 -0.06 -0.04 2.98 2.94 2fbwN1 TYR 126 HD2 0.04 -0.05 -0.11 -0.04 7.15 6.99 2fbwN1 TYR 126 HE2 0.04 -0.01 -0.09 -0.04 6.85 6.75 2fbwN1 GLN 127 H -0.40 0.19 0.09 -0.55 8.47 7.81 2fbwN1 GLN 127 HA -0.26 0.26 0.62 -0.75 4.36 4.23 2fbwN1 GLN 127 HB2 -0.14 0.03 -0.05 -0.04 2.15 1.95 2fbwN1 GLN 127 HB3 -0.13 -0.17 -0.55 -0.04 2.02 1.14 2fbwN1 GLN 127 HG2 -0.15 0.01 -0.34 -0.04 2.40 1.88 2fbwN1 GLN 127 HG3 -0.14 0.16 -0.38 -0.04 2.39 1.99 2fbwN1 GLN 127 HE21 -0.07 -0.33 0.29 -0.04 6.97 6.82 2fbwN1 GLN 127 HE22 -0.10 0.20 0.13 -0.04 7.69 7.88 2fbwN1 ARG 128 H -0.16 0.61 0.13 -0.55 8.46 8.48 2fbwN1 ARG 128 HA -0.07 0.24 0.91 -0.75 4.34 4.67 2fbwN1 ARG 128 HB2 0.14 0.03 0.08 -0.04 1.90 2.11 2fbwN1 ARG 128 HB3 0.06 0.01 -0.07 -0.04 1.80 1.76 2fbwN1 ARG 128 HG2 0.05 0.15 0.05 -0.04 1.67 1.88 2fbwN1 ARG 128 HG3 0.18 -0.08 -0.15 -0.04 1.67 1.58 2fbwN1 ARG 128 HD2 0.28 0.04 0.02 -0.04 3.22 3.52 2fbwN1 ARG 128 HD3 0.31 -0.04 0.03 -0.04 3.22 3.48 2fbwN1 ALA 129 H 0.14 0.24 0.14 -0.55 8.40 8.38 2fbwN1 ALA 129 HA -0.14 0.23 0.77 -0.75 4.34 4.45 2fbwN1 ALA 129 HB3 -0.06 0.05 0.14 -0.04 1.41 1.49 2fbwN1 PHE 130 H 0.05 0.38 0.22 -0.55 8.34 8.43 2fbwN1 PHE 130 HA -0.04 0.10 0.52 -0.75 4.62 4.45 2fbwN1 PHE 130 HB2 -0.05 -0.00 -0.39 -0.04 3.15 2.66 2fbwN1 PHE 130 HB3 -0.05 0.08 -0.22 -0.04 3.06 2.83 2fbwN1 PHE 130 HD2 -0.02 0.24 -0.14 -0.04 7.28 7.31 2fbwN1 PHE 130 HE2 0.01 -0.06 -0.06 -0.04 7.38 7.23 2fbwN1 PHE 130 HZ 0.04 -0.20 0.02 -0.04 7.32 7.14 2fbwN1 GLY 131 H -0.35 0.01 0.08 -0.55 8.43 7.62 2fbwN1 GLY 131 HA2 -0.11 0.18 0.39 -0.51 4.01 3.96 2fbwN1 GLY 131 HA3 -0.17 0.02 0.28 -0.51 4.01 3.63 2fbwN1 GLY 132 H -0.06 0.72 0.23 -0.55 8.43 8.78 2fbwN1 GLY 132 HA2 0.05 0.02 0.29 -0.51 4.01 3.86 2fbwN1 GLY 132 HA3 -0.06 -0.03 0.39 -0.51 4.01 3.80 2fbwN1 GLN 133 H 0.03 0.33 -0.06 -0.55 8.47 8.23 2fbwN1 GLN 133 HA 0.09 0.14 0.95 -0.75 4.36 4.79 2fbwN1 GLN 133 HB2 0.01 0.06 0.01 -0.04 2.15 2.19 2fbwN1 GLN 133 HB3 0.02 -0.05 -0.09 -0.04 2.02 1.86 2fbwN1 GLN 133 HG2 0.08 0.06 -0.21 -0.04 2.40 2.28 2fbwN1 GLN 133 HG3 0.07 0.10 -0.42 -0.04 2.39 2.09 2fbwN1 GLN 133 HE21 -0.09 -0.08 -0.26 -0.04 6.97 6.50 2fbwN1 GLN 133 HE22 0.09 0.01 -0.25 -0.04 7.69 7.50 2fbwN1 SER 134 H 0.08 0.20 0.14 -0.55 8.46 8.34 2fbwN1 SER 134 HA -0.03 0.24 0.91 -0.75 4.49 4.85 2fbwN1 SER 134 HB2 -0.06 0.07 -0.06 -0.04 3.95 3.86 2fbwN1 SER 134 HB3 0.03 0.05 -0.25 -0.04 3.93 3.72 2fbwN1 LEU 135 H -0.17 0.67 0.03 -0.55 8.37 8.36 2fbwN1 LEU 135 HA -0.35 0.04 0.72 -0.75 4.35 4.00 2fbwN1 LEU 135 HB2 -0.32 0.15 -0.12 -0.04 1.64 1.31 2fbwN1 LEU 135 HB3 -0.60 -0.03 0.04 -0.04 1.64 1.01 2fbwN1 LEU 135 HG -0.04 0.01 -0.48 -0.04 1.64 1.08 2fbwN1 LEU 135 HD13 0.02 0.07 -0.12 -0.04 0.93 0.85 2fbwN1 LEU 135 HD23 0.22 -0.00 -0.09 -0.04 0.89 0.97 2fbwN1 GLN 136 H -3.56 0.15 0.12 -0.55 8.47 4.64 2fbwN1 GLN 136 HA -1.58 0.07 0.33 -0.75 4.36 2.43 2fbwN1 GLN 136 HB2 -0.45 -0.00 -0.10 -0.04 2.15 1.56 2fbwN1 GLN 136 HB3 -0.33 0.10 0.12 -0.04 2.02 1.87 2fbwN1 GLN 136 HG2 -0.98 -0.10 -0.14 -0.04 2.40 1.13 2fbwN1 GLN 136 HG3 -0.34 0.11 -0.11 -0.04 2.39 2.01 2fbwN1 GLN 136 HE21 0.17 0.03 -0.02 -0.04 6.97 7.10 2fbwN1 GLN 136 HE22 -0.05 0.03 -0.03 -0.04 7.69 7.60 2fbwN1 PHE 137 H -1.18 0.02 -0.10 -0.55 8.34 6.53 2fbwN1 PHE 137 HA -0.46 0.01 0.27 -0.75 4.62 3.69 2fbwN1 PHE 137 HB2 -0.36 0.16 -0.12 -0.04 3.15 2.79 2fbwN1 PHE 137 HB3 -0.82 0.07 0.17 -0.04 3.06 2.44 2fbwN1 PHE 137 HD2 -0.09 0.03 -0.10 -0.04 7.28 7.08 2fbwN1 PHE 137 HE2 0.21 0.05 -0.04 -0.04 7.38 7.56 2fbwN1 PHE 137 HZ -0.01 0.00 -0.05 -0.04 7.32 7.22 2fbwN1 GLY 138 H -0.19 0.03 -0.46 -0.55 8.43 7.26 2fbwN1 GLY 138 HA2 0.03 -0.06 0.18 -0.51 4.01 3.65 2fbwN1 GLY 138 HA3 0.11 0.17 0.43 -0.51 4.01 4.21 2fbwN1 LYS 139 H -0.20 0.39 -0.37 -0.55 8.42 7.68 2fbwN1 LYS 139 HA -0.07 0.20 0.84 -0.75 4.32 4.54 2fbwN1 LYS 139 HB2 -0.13 0.05 0.06 -0.04 1.87 1.80 2fbwN1 LYS 139 HB3 -0.07 -0.05 0.08 -0.04 1.79 1.71 2fbwN1 LYS 139 HG2 -0.05 -0.01 -0.08 -0.04 1.46 1.27 2fbwN1 LYS 139 HG3 -0.10 0.15 -0.12 -0.04 1.46 1.35 2fbwN1 LYS 139 HD2 -0.05 -0.05 -0.01 -0.04 1.69 1.54 2fbwN1 LYS 139 HD3 -0.06 -0.02 -0.01 -0.04 1.68 1.55 2fbwN1 LYS 139 HE2 -0.05 0.02 -0.01 -0.04 2.99 2.91 2fbwN1 LYS 139 HE3 -0.07 0.05 0.02 -0.04 2.99 2.95 2fbwN1 GLY 140 H -0.25 0.49 0.01 -0.55 8.43 8.14 2fbwN1 GLY 140 HA2 -0.12 0.23 0.63 -0.51 4.01 4.23 2fbwN1 GLY 140 HA3 -0.24 -0.10 0.17 -0.51 4.01 3.32 2fbwN1 GLY 141 H -0.07 0.14 -0.26 -0.55 8.43 7.69 2fbwN1 GLY 141 HA2 -0.03 0.06 0.30 -0.51 4.01 3.83 2fbwN1 GLY 141 HA3 -0.03 0.22 0.65 -0.51 4.01 4.33 2fbwN1 GLN 142 H -0.01 0.15 0.12 -0.55 8.47 8.18 2fbwN1 GLN 142 HA -0.06 0.13 0.50 -0.75 4.36 4.18 2fbwN1 GLN 142 HB2 -0.03 0.01 0.14 -0.04 2.15 2.22 2fbwN1 GLN 142 HB3 -0.02 -0.01 0.13 -0.04 2.02 2.08 2fbwN1 GLN 142 HG2 -0.13 -0.01 0.01 -0.04 2.40 2.23 2fbwN1 GLN 142 HG3 -0.48 0.14 -0.26 -0.04 2.39 1.75 2fbwN1 GLN 142 HE21 -0.05 0.01 0.27 -0.04 6.97 7.16 2fbwN1 GLN 142 HE22 -0.20 0.65 0.26 -0.04 7.69 8.36 2fbwN1 ALA 143 H -0.08 0.42 0.08 -0.55 8.40 8.28 2fbwN1 ALA 143 HA -0.00 0.16 0.52 -0.75 4.34 4.26 2fbwN1 ALA 143 HB3 0.01 -0.04 -0.27 -0.04 1.41 1.07 2fbwN1 HIS 144 H 0.07 0.17 -0.16 -0.55 8.41 7.95 2fbwN1 HIS 144 HA -0.02 0.22 0.29 -0.75 4.63 4.37 2fbwN1 HIS 144 HB2 -0.04 -0.09 0.05 -0.04 3.26 3.15 2fbwN1 HIS 144 HB3 -0.08 0.15 -0.19 -0.04 3.20 3.03 2fbwN1 HIS 144 HD2 -0.00 -0.08 -0.07 -0.04 6.97 6.77 2fbwN1 HIS 144 HE1 0.01 0.03 -0.09 -0.04 7.75 7.65 2fbwN1 ARG 145 H -0.06 0.20 -0.15 -0.55 8.46 7.90 2fbwN1 ARG 145 HA -0.07 0.21 0.87 -0.75 4.34 4.60 2fbwN1 ARG 145 HB2 -0.10 0.18 0.06 -0.04 1.90 2.00 2fbwN1 ARG 145 HB3 -0.03 -0.04 -0.22 -0.04 1.80 1.46 2fbwN1 ARG 145 HG2 -0.11 0.03 -0.19 -0.04 1.67 1.37 2fbwN1 ARG 145 HG3 -0.22 -0.02 -0.26 -0.04 1.67 1.13 2fbwN1 ARG 145 HD2 -0.54 0.04 -0.15 -0.04 3.22 2.52 2fbwN1 ARG 145 HD3 -0.27 -0.10 -0.30 -0.04 3.22 2.51 2fbwN1 CYS 146 H -0.09 0.53 -0.02 -0.55 8.50 8.37 2fbwN1 CYS 146 HA -0.19 0.06 0.39 -0.75 4.58 4.08 2fbwN1 CYS 146 HB2 -0.24 -0.05 -0.20 -0.04 2.97 2.44 2fbwN1 CYS 146 HB3 -0.07 0.07 0.01 -0.04 2.97 2.94 2fbwN1 CYS 147 H -0.10 0.59 0.30 -0.55 8.50 8.74 2fbwN1 CYS 147 HA -0.09 0.28 0.57 -0.75 4.58 4.59 2fbwN1 CYS 147 HB2 -0.03 -0.09 0.08 -0.04 2.97 2.89 2fbwN1 CYS 147 HB3 -0.38 0.04 0.01 -0.04 2.97 2.60 2fbwN1 CYS 148 H 0.21 0.47 0.34 -0.55 8.50 8.97 2fbwN1 CYS 148 HA 0.22 0.01 0.93 -0.75 4.58 4.99 2fbwN1 CYS 148 HB2 0.15 0.16 0.01 -0.04 2.97 3.25 2fbwN1 CYS 148 HB3 0.10 0.16 -0.18 -0.04 2.97 3.00 2fbwN1 VAL 149 H 0.10 0.14 -0.05 -0.55 8.24 7.87 2fbwN1 VAL 149 HA 0.10 0.17 0.80 -0.75 4.13 4.45 2fbwN1 VAL 149 HB 0.01 -0.14 -0.12 -0.04 2.12 1.84 2fbwN1 VAL 149 HG13 0.02 0.08 -0.10 -0.04 0.97 0.92 2fbwN1 VAL 149 HG23 -0.24 0.01 -0.32 -0.04 0.95 0.35 2fbwN1 ALA 150 H 0.12 0.18 -0.06 -0.55 8.40 8.09 2fbwN1 ALA 150 HA 0.07 0.16 0.38 -0.75 4.34 4.20 2fbwN1 ALA 150 HB3 0.03 0.04 0.06 -0.04 1.41 1.50 2fbwN1 ASP 151 H 0.04 0.06 0.16 -0.55 8.40 8.11 2fbwN1 ASP 151 HA 0.09 0.31 0.89 -0.75 4.63 5.17 2fbwN1 ASP 151 HB2 0.06 -0.15 0.21 -0.04 2.71 2.79 2fbwN1 ASP 151 HB3 0.07 0.17 0.08 -0.04 2.70 2.98 2fbwN1 ARG 152 H 0.05 0.77 -0.06 -0.55 8.46 8.67 2fbwN1 ARG 152 HA 0.04 0.21 0.94 -0.75 4.34 4.78 2fbwN1 ARG 152 HB2 0.04 0.07 0.17 -0.04 1.90 2.14 2fbwN1 ARG 152 HB3 -0.01 -0.01 0.22 -0.04 1.80 1.96 2fbwN1 ARG 152 HG2 -0.03 0.01 -0.14 -0.04 1.67 1.47 2fbwN1 ARG 152 HG3 -0.00 -0.07 -0.05 -0.04 1.67 1.50 2fbwN1 ARG 152 HD2 -0.06 0.06 -0.01 -0.04 3.22 3.18 2fbwN1 ARG 152 HD3 -0.21 0.01 0.03 -0.04 3.22 3.01 2fbwN1 THR 153 H 0.06 0.46 -0.05 -0.55 8.28 8.20 2fbwN1 THR 153 HA 0.00 0.09 0.37 -0.75 4.39 4.09 2fbwN1 THR 153 HB 0.04 -0.15 -0.23 -0.04 4.32 3.94 2fbwN1 THR 153 HG23 0.04 -0.00 -0.13 -0.04 1.22 1.08 2fbwN1 GLY 154 H 0.04 0.50 -0.36 -0.55 8.43 8.07 2fbwN1 GLY 154 HA2 0.01 -0.10 0.36 -0.51 4.01 3.77 2fbwN1 GLY 154 HA3 0.01 0.09 0.35 -0.51 4.01 3.95 2fbwN1 HIS 155 H 0.14 0.24 -0.19 -0.55 8.41 8.05 2fbwN1 HIS 155 HA 0.09 -0.02 0.47 -0.75 4.63 4.41 2fbwN1 HIS 155 HB2 0.05 0.15 0.21 -0.04 3.26 3.63 2fbwN1 HIS 155 HB3 0.04 0.11 0.18 -0.04 3.20 3.49 2fbwN1 HIS 155 HD2 0.17 0.01 0.06 -0.04 6.97 7.16 2fbwN1 HIS 155 HE1 -0.12 0.02 -0.04 -0.04 7.75 7.56 2fbwN1 SER 156 H 0.11 0.44 -0.23 -0.55 8.46 8.24 2fbwN1 SER 156 HA -0.04 0.08 0.45 -0.75 4.49 4.23 2fbwN1 SER 156 HB2 -0.04 0.01 0.08 -0.04 3.95 3.95 2fbwN1 SER 156 HB3 -0.10 -0.02 -0.06 -0.04 3.93 3.70 2fbwN1 LEU 157 H -0.02 0.68 -0.06 -0.55 8.37 8.42 2fbwN1 LEU 157 HA -0.02 0.06 0.40 -0.75 4.35 4.04 2fbwN1 LEU 157 HB2 -0.01 0.04 0.05 -0.04 1.64 1.68 2fbwN1 LEU 157 HB3 0.01 0.01 0.15 -0.04 1.64 1.76 2fbwN1 LEU 157 HG 0.06 0.05 -0.01 -0.04 1.64 1.70 2fbwN1 LEU 157 HD13 0.05 -0.02 -0.07 -0.04 0.93 0.85 2fbwN1 LEU 157 HD23 0.04 -0.03 -0.20 -0.04 0.89 0.66 2fbwN1 LEU 158 H -0.02 0.75 -0.11 -0.55 8.37 8.44 2fbwN1 LEU 158 HA -0.01 -0.04 0.28 -0.75 4.35 3.82 2fbwN1 LEU 158 HB2 -0.06 -0.10 -0.08 -0.04 1.64 1.35 2fbwN1 LEU 158 HB3 -0.17 0.16 0.04 -0.04 1.64 1.63 2fbwN1 LEU 158 HG -0.21 0.02 -0.22 -0.04 1.64 1.19 2fbwN1 LEU 158 HD13 -0.04 -0.01 -0.14 -0.04 0.93 0.70 2fbwN1 LEU 158 HD23 -0.12 0.03 -0.03 -0.04 0.89 0.73 2fbwN1 HIS 159 H -0.06 0.61 -0.08 -0.55 8.41 8.34 2fbwN1 HIS 159 HA 0.01 -0.03 0.48 -0.75 4.63 4.33 2fbwN1 HIS 159 HB2 -0.23 0.15 0.16 -0.04 3.26 3.30 2fbwN1 HIS 159 HB3 -0.08 0.00 0.02 -0.04 3.20 3.11 2fbwN1 HIS 159 HD2 0.02 -0.01 0.04 -0.04 6.97 6.97 2fbwN1 HIS 159 HE1 0.02 0.01 0.04 -0.04 7.75 7.77 2fbwN1 THR 160 H 0.03 0.52 -0.32 -0.55 8.28 7.96 2fbwN1 THR 160 HA 0.03 0.09 0.45 -0.75 4.39 4.21 2fbwN1 THR 160 HB 0.06 0.02 0.14 -0.04 4.32 4.49 2fbwN1 THR 160 HG23 0.13 0.02 -0.22 -0.04 1.22 1.10 2fbwN1 LEU 161 H 0.06 0.59 -0.03 -0.55 8.37 8.44 2fbwN1 LEU 161 HA 0.05 0.07 0.44 -0.75 4.35 4.16 2fbwN1 LEU 161 HB2 0.09 0.04 0.08 -0.04 1.64 1.81 2fbwN1 LEU 161 HB3 0.22 -0.08 -0.09 -0.04 1.64 1.65 2fbwN1 LEU 161 HG 0.16 0.12 0.03 -0.04 1.64 1.91 2fbwN1 LEU 161 HD13 0.10 -0.06 -0.05 -0.04 0.93 0.88 2fbwN1 LEU 161 HD23 0.38 0.00 -0.04 -0.04 0.89 1.19 2fbwN1 TYR 162 H 0.09 0.58 -0.23 -0.55 8.29 8.18 2fbwN1 TYR 162 HA -0.11 -0.02 0.37 -0.75 4.56 4.04 2fbwN1 TYR 162 HB2 -0.18 -0.06 0.04 -0.04 3.06 2.82 2fbwN1 TYR 162 HB3 -0.11 0.12 0.12 -0.04 2.98 3.08 2fbwN1 TYR 162 HD2 -0.16 0.02 -0.04 -0.04 7.15 6.93 2fbwN1 TYR 162 HE2 -0.21 0.01 -0.03 -0.04 6.85 6.59 2fbwN1 GLY 163 H -0.01 0.49 -0.21 -0.55 8.43 8.15 2fbwN1 GLY 163 HA2 -0.26 0.00 0.44 -0.51 4.01 3.68 2fbwN1 GLY 163 HA3 -0.10 0.10 0.31 -0.51 4.01 3.81 2fbwN1 ARG 164 H -0.23 0.49 -0.18 -0.55 8.46 8.00 2fbwN1 ARG 164 HA -0.34 0.06 0.42 -0.75 4.34 3.73 2fbwN1 ARG 164 HB2 -0.54 0.11 0.14 -0.04 1.90 1.56 2fbwN1 ARG 164 HB3 -0.68 0.02 0.14 -0.04 1.80 1.24 2fbwN1 ARG 164 HG2 -1.49 -0.05 -0.04 -0.04 1.67 0.04 2fbwN1 ARG 164 HG3 -0.96 -0.04 -0.17 -0.04 1.67 0.46 2fbwN1 ARG 164 HD2 -0.37 0.01 0.07 -0.04 3.22 2.89 2fbwN1 ARG 164 HD3 -0.63 0.04 0.03 -0.04 3.22 2.62 2fbwN1 SER 165 H -0.33 0.53 -0.19 -0.55 8.46 7.92 2fbwN1 SER 165 HA -0.11 -0.04 0.36 -0.75 4.49 3.94 2fbwN1 SER 165 HB2 0.17 -0.11 0.06 -0.04 3.95 4.03 2fbwN1 SER 165 HB3 0.08 0.02 0.10 -0.04 3.93 4.09 2fbwN1 LEU 166 H -0.34 0.37 -0.60 -0.55 8.37 7.26 2fbwN1 LEU 166 HA -0.19 0.02 0.47 -0.75 4.35 3.89 2fbwN1 LEU 166 HB2 -0.24 0.28 0.13 -0.04 1.64 1.77 2fbwN1 LEU 166 HB3 -0.18 -0.08 0.14 -0.04 1.64 1.47 2fbwN1 LEU 166 HG -0.69 0.28 0.13 -0.04 1.64 1.32 2fbwN1 LEU 166 HD13 -0.20 -0.04 0.04 -0.04 0.93 0.69 2fbwN1 LEU 166 HD23 -0.38 -0.04 0.01 -0.04 0.89 0.43 2fbwN1 ARG 167 H -0.22 0.58 -0.42 -0.55 8.46 7.85 2fbwN1 ARG 167 HA -0.23 0.08 0.68 -0.75 4.34 4.12 2fbwN1 ARG 167 HB2 -0.72 0.05 0.06 -0.04 1.90 1.25 2fbwN1 ARG 167 HB3 -0.46 -0.09 0.14 -0.04 1.80 1.35 2fbwN1 ARG 167 HG2 -0.22 -0.05 -0.02 -0.04 1.67 1.34 2fbwN1 ARG 167 HG3 -0.27 0.16 0.12 -0.04 1.67 1.63 2fbwN1 ARG 167 HD2 -0.19 -0.02 0.02 -0.04 3.22 3.00 2fbwN1 ARG 167 HD3 -0.28 -0.01 0.04 -0.04 3.22 2.93 2fbwN1 TYR 168 H 0.03 0.40 -0.16 -0.55 8.29 8.01 2fbwN1 TYR 168 HA -0.01 0.21 0.92 -0.75 4.56 4.93 2fbwN1 TYR 168 HB2 0.04 0.00 0.09 -0.04 3.06 3.16 2fbwN1 TYR 168 HB3 0.05 -0.09 0.08 -0.04 2.98 2.98 2fbwN1 TYR 168 HD2 -0.10 0.02 -0.06 -0.04 7.15 6.98 2fbwN1 TYR 168 HE2 -0.28 0.01 -0.07 -0.04 6.85 6.46 2fbwN1 ASP 169 H 0.18 0.15 0.08 -0.55 8.40 8.27 2fbwN1 ASP 169 HA 0.09 0.24 0.69 -0.75 4.63 4.90 2fbwN1 ASP 169 HB2 0.08 -0.01 0.16 -0.04 2.71 2.90 2fbwN1 ASP 169 HB3 0.07 0.02 0.06 -0.04 2.70 2.80 2fbwN1 THR 170 H 0.18 0.07 -0.53 -0.55 8.28 7.45 2fbwN1 THR 170 HA 0.02 0.04 0.44 -0.75 4.39 4.14 2fbwN1 THR 170 HB 0.25 0.02 -0.08 -0.04 4.32 4.46 2fbwN1 THR 170 HG23 -0.37 -0.02 -0.26 -0.04 1.22 0.52 2fbwN1 SER 171 H -0.09 0.65 0.38 -0.55 8.46 8.86 2fbwN1 SER 171 HA -0.02 0.15 0.83 -0.75 4.49 4.70 2fbwN1 SER 171 HB2 0.03 -0.06 0.20 -0.04 3.95 4.08 2fbwN1 SER 171 HB3 0.03 -0.03 0.02 -0.04 3.93 3.91 2fbwN1 TYR 172 H 0.01 0.23 0.12 -0.55 8.29 8.10 2fbwN1 TYR 172 HA -0.15 0.19 0.97 -0.75 4.56 4.81 2fbwN1 TYR 172 HB2 -0.10 0.03 0.10 -0.04 3.06 3.06 2fbwN1 TYR 172 HB3 -0.10 -0.08 -0.06 -0.04 2.98 2.70 2fbwN1 TYR 172 HD2 -0.06 0.06 -0.10 -0.04 7.15 7.00 2fbwN1 TYR 172 HE2 -0.02 0.02 -0.11 -0.04 6.85 6.70 2fbwN1 PHE 173 H -0.07 0.68 0.21 -0.55 8.34 8.61 2fbwN1 PHE 173 HA -0.32 0.17 0.76 -0.75 4.62 4.46 2fbwN1 PHE 173 HB2 -0.69 -0.08 0.10 -0.04 3.15 2.44 2fbwN1 PHE 173 HB3 -1.75 -0.02 -0.03 -0.04 3.06 1.22 2fbwN1 PHE 173 HD2 -0.61 -0.01 -0.19 -0.04 7.28 6.43 2fbwN1 PHE 173 HE2 -0.14 0.03 -0.13 -0.04 7.38 7.09 2fbwN1 PHE 173 HZ 0.32 0.03 -0.12 -0.04 7.32 7.51 2fbwN1 VAL 174 H 0.07 0.25 -0.07 -0.55 8.24 7.93 2fbwN1 VAL 174 HA 0.13 0.07 0.62 -0.75 4.13 4.20 2fbwN1 VAL 174 HB 0.19 0.05 0.03 -0.04 2.12 2.35 2fbwN1 VAL 174 HG13 0.26 0.01 -0.28 -0.04 0.97 0.91 2fbwN1 VAL 174 HG23 0.10 0.01 -0.08 -0.04 0.95 0.93 2fbwN1 GLU 175 H 0.16 0.31 0.01 -0.55 8.60 8.53 2fbwN1 GLU 175 HA 0.09 0.15 0.27 -0.75 4.29 4.05 2fbwN1 GLU 175 HB2 0.22 0.21 0.01 -0.04 2.09 2.48 2fbwN1 GLU 175 HB3 0.03 -0.09 0.19 -0.04 1.99 2.08 2fbwN1 GLU 175 HG2 0.18 0.21 -0.03 -0.04 2.34 2.66 2fbwN1 GLU 175 HG3 0.24 -0.12 -0.35 -0.04 2.34 2.08 2fbwN1 TYR 176 H 0.24 0.60 0.00 -0.55 8.29 8.58 2fbwN1 TYR 176 HA 0.05 0.18 0.84 -0.75 4.56 4.87 2fbwN1 TYR 176 HB2 0.02 0.05 -0.07 -0.04 3.06 3.02 2fbwN1 TYR 176 HB3 0.03 -0.03 -0.29 -0.04 2.98 2.66 2fbwN1 TYR 176 HD2 0.09 0.00 -0.71 -0.04 7.15 6.49 2fbwN1 TYR 176 HE2 -0.45 0.05 -0.16 -0.04 6.85 6.25 2fbwN1 PHE 177 H 0.17 0.73 0.21 -0.55 8.34 8.90 2fbwN1 PHE 177 HA -0.01 0.02 0.78 -0.75 4.62 4.66 2fbwN1 PHE 177 HB2 -0.08 -0.02 0.01 -0.04 3.15 3.02 2fbwN1 PHE 177 HB3 -0.05 -0.00 0.16 -0.04 3.06 3.13 2fbwN1 PHE 177 HD2 -0.04 -0.05 -0.21 -0.04 7.28 6.93 2fbwN1 PHE 177 HE2 -0.03 0.02 -0.05 -0.04 7.38 7.28 2fbwN1 PHE 177 HZ -0.02 -0.01 -0.11 -0.04 7.32 7.14 2fbwN1 ALA 178 H -0.30 0.07 0.07 -0.55 8.40 7.71 2fbwN1 ALA 178 HA 0.02 0.12 0.55 -0.75 4.34 4.27 2fbwN1 ALA 178 HB3 -0.14 -0.01 -0.02 -0.04 1.41 1.20 2fbwN1 LEU 179 H 0.06 0.68 0.46 -0.55 8.37 9.03 2fbwN1 LEU 179 HA 0.13 0.16 0.85 -0.75 4.35 4.74 2fbwN1 LEU 179 HB2 0.06 0.01 0.02 -0.04 1.64 1.69 2fbwN1 LEU 179 HB3 0.07 -0.00 -0.01 -0.04 1.64 1.65 2fbwN1 LEU 179 HG 0.18 0.04 -0.05 -0.04 1.64 1.78 2fbwN1 LEU 179 HD13 0.03 -0.00 -0.25 -0.04 0.93 0.67 2fbwN1 LEU 179 HD23 0.15 0.00 -0.10 -0.04 0.89 0.90 2fbwN1 ASP 180 H 0.03 0.29 0.31 -0.55 8.40 8.48 2fbwN1 ASP 180 HA -0.00 0.10 0.52 -0.75 4.63 4.50 2fbwN1 ASP 180 HB2 0.02 -0.12 -0.12 -0.04 2.71 2.45 2fbwN1 ASP 180 HB3 0.01 0.16 0.06 -0.04 2.70 2.89 2fbwN1 LEU 181 H -0.00 0.20 0.15 -0.55 8.37 8.17 2fbwN1 LEU 181 HA 0.00 0.19 0.75 -0.75 4.35 4.54 2fbwN1 LEU 181 HB2 -0.01 0.01 0.02 -0.04 1.64 1.62 2fbwN1 LEU 181 HB3 -0.00 0.07 -0.03 -0.04 1.64 1.64 2fbwN1 LEU 181 HG -0.02 -0.07 -0.10 -0.04 1.64 1.40 2fbwN1 LEU 181 HD13 -0.02 0.02 -0.10 -0.04 0.93 0.79 2fbwN1 LEU 181 HD23 -0.02 -0.00 -0.09 -0.04 0.89 0.74 2fbwN1 LEU 182 H 0.02 0.70 0.08 -0.55 8.37 8.63 2fbwN1 LEU 182 HA 0.02 0.05 0.63 -0.75 4.35 4.29 2fbwN1 LEU 182 HB2 0.03 -0.02 -0.20 -0.04 1.64 1.41 2fbwN1 LEU 182 HB3 0.02 0.05 -0.15 -0.04 1.64 1.52 2fbwN1 LEU 182 HG 0.04 -0.10 -0.51 -0.04 1.64 1.04 2fbwN1 LEU 182 HD13 0.05 0.03 -0.32 -0.04 0.93 0.65 2fbwN1 LEU 182 HD23 0.02 0.01 -0.28 -0.04 0.89 0.60 2fbwN1 MET 183 H 0.01 0.18 0.01 -0.55 8.47 8.12 2fbwN1 MET 183 HA 0.00 0.36 0.89 -0.75 4.52 5.02 2fbwN1 MET 183 HB2 0.00 -0.03 0.04 -0.04 2.15 2.12 2fbwN1 MET 183 HB3 -0.00 -0.03 -0.06 -0.04 2.03 1.90 2fbwN1 MET 183 HG2 0.00 -0.11 -0.28 -0.04 2.63 2.19 2fbwN1 MET 183 HG3 -0.00 0.07 -0.05 -0.04 2.56 2.54 2fbwN1 MET 183 HE3 -0.01 0.01 -0.29 -0.04 2.10 1.77 2fbwN1 GLU 184 H 0.00 0.76 0.23 -0.55 8.60 9.04 2fbwN1 GLU 184 HA 0.00 0.01 0.66 -0.75 4.29 4.21 2fbwN1 GLU 184 HB2 0.01 0.02 -0.35 -0.04 2.09 1.73 2fbwN1 GLU 184 HB3 0.01 0.08 0.04 -0.04 1.99 2.07 2fbwN1 GLU 184 HG2 0.00 0.10 -0.01 -0.04 2.34 2.39 2fbwN1 GLU 184 HG3 0.00 -0.03 -0.01 -0.04 2.34 2.26 2fbwN1 ASN 185 H -0.00 0.15 0.13 -0.55 8.53 8.26 2fbwN1 ASN 185 HA -0.00 0.02 0.34 -0.75 4.76 4.37 2fbwN1 ASN 185 HB2 -0.00 0.23 0.15 -0.04 2.88 3.22 2fbwN1 ASN 185 HB3 -0.00 0.01 0.22 -0.04 2.79 2.97 2fbwN1 ASN 185 HD21 -0.00 -0.02 -0.05 -0.04 7.03 6.91 2fbwN1 ASN 185 HD22 -0.00 0.05 -0.04 -0.04 7.74 7.71 2fbwN1 GLY 186 H -0.00 0.01 -0.23 -0.55 8.43 7.66 2fbwN1 GLY 186 HA2 -0.01 0.01 0.24 -0.51 4.01 3.75 2fbwN1 GLY 186 HA3 -0.01 0.11 0.52 -0.51 4.01 4.12 2fbwN1 GLU 187 H -0.00 0.29 -0.43 -0.55 8.60 7.91 2fbwN1 GLU 187 HA -0.01 0.26 0.94 -0.75 4.29 4.73 2fbwN1 GLU 187 HB2 0.00 0.05 0.04 -0.04 2.09 2.15 2fbwN1 GLU 187 HB3 0.00 0.08 -0.00 -0.04 1.99 2.03 2fbwN1 GLU 187 HG2 -0.01 0.00 -0.09 -0.04 2.34 2.20 2fbwN1 GLU 187 HG3 -0.00 0.08 -0.13 -0.04 2.34 2.24 2fbwN1 CYS 188 H -0.00 0.64 0.21 -0.55 8.50 8.79 2fbwN1 CYS 188 HA 0.00 0.06 0.82 -0.75 4.58 4.71 2fbwN1 CYS 188 HB2 -0.01 -0.05 -0.05 -0.04 2.97 2.82 2fbwN1 CYS 188 HB3 0.00 0.11 -0.06 -0.04 2.97 2.98 2fbwN1 ARG 189 H 0.02 0.69 0.33 -0.55 8.46 8.94 2fbwN1 ARG 189 HA 0.03 0.38 0.99 -0.75 4.34 4.99 2fbwN1 ARG 189 HB2 0.02 -0.04 -0.06 -0.04 1.90 1.79 2fbwN1 ARG 189 HB3 0.03 -0.02 0.03 -0.04 1.80 1.80 2fbwN1 ARG 189 HG2 0.02 0.10 -0.35 -0.04 1.67 1.39 2fbwN1 ARG 189 HG3 0.01 -0.01 -0.26 -0.04 1.67 1.37 2fbwN1 ARG 189 HD2 0.01 0.09 -0.24 -0.04 3.22 3.05 2fbwN1 ARG 189 HD3 0.02 -0.15 -0.21 -0.04 3.22 2.83 2fbwN1 GLY 190 H 0.03 0.10 0.11 -0.55 8.43 8.12 2fbwN1 GLY 190 HA2 0.05 -0.01 0.24 -0.51 4.01 3.78 2fbwN1 GLY 190 HA3 0.07 0.40 1.06 -0.51 4.01 5.03 2fbwN1 VAL 191 H 0.12 0.59 0.34 -0.55 8.24 8.74 2fbwN1 VAL 191 HA 0.04 0.17 0.99 -0.75 4.13 4.57 2fbwN1 VAL 191 HB 0.01 0.03 0.04 -0.04 2.12 2.16 2fbwN1 VAL 191 HG13 -0.03 -0.00 -0.30 -0.04 0.97 0.60 2fbwN1 VAL 191 HG23 0.03 -0.02 -0.27 -0.04 0.95 0.65 2fbwN1 ILE 192 H 0.06 0.52 0.31 -0.55 8.25 8.60 2fbwN1 ILE 192 HA 0.14 0.32 1.10 -0.75 4.18 4.99 2fbwN1 ILE 192 HB 0.05 0.02 -0.07 -0.04 1.89 1.85 2fbwN1 ILE 192 HG12 0.06 -0.04 -0.16 -0.04 1.49 1.31 2fbwN1 ILE 192 HG13 0.06 0.15 -0.04 -0.04 1.21 1.34 2fbwN1 ILE 192 HG23 0.04 -0.01 0.01 -0.04 0.93 0.93 2fbwN1 ILE 192 HD13 0.01 0.02 -0.08 -0.04 0.88 0.79 2fbwN1 ALA 193 H 0.21 0.82 0.38 -0.55 8.40 9.27 2fbwN1 ALA 193 HA 0.15 0.11 0.88 -0.75 4.34 4.73 2fbwN1 ALA 193 HB3 0.26 -0.03 -0.35 -0.04 1.41 1.25 2fbwN1 LEU 194 H 0.17 0.56 0.24 -0.55 8.37 8.80 2fbwN1 LEU 194 HA 0.09 0.32 0.91 -0.75 4.35 4.91 2fbwN1 LEU 194 HB2 -0.00 0.05 -0.03 -0.04 1.64 1.61 2fbwN1 LEU 194 HB3 0.04 -0.07 0.13 -0.04 1.64 1.71 2fbwN1 LEU 194 HG -0.08 -0.11 -0.60 -0.04 1.64 0.80 2fbwN1 LEU 194 HD13 -0.01 0.06 -0.18 -0.04 0.93 0.76 2fbwN1 LEU 194 HD23 -0.14 -0.00 -0.07 -0.04 0.89 0.63 2fbwN1 CYS 195 H 0.01 0.85 0.18 -0.55 8.50 8.99 2fbwN1 CYS 195 HA -0.96 0.11 0.72 -0.75 4.58 3.70 2fbwN1 CYS 195 HB2 -0.66 0.08 0.01 -0.04 2.97 2.35 2fbwN1 CYS 195 HB3 -0.03 -0.05 0.19 -0.04 2.97 3.03 2fbwN1 ILE 196 H -0.28 0.48 0.27 -0.55 8.25 8.18 2fbwN1 ILE 196 HA -0.25 0.09 0.43 -0.75 4.18 3.68 2fbwN1 ILE 196 HB -0.46 0.20 0.17 -0.04 1.89 1.76 2fbwN1 ILE 196 HG12 -0.33 -0.02 -0.01 -0.04 1.49 1.08 2fbwN1 ILE 196 HG13 -0.18 0.04 -0.01 -0.04 1.21 1.01 2fbwN1 ILE 196 HG23 -1.38 -0.02 -0.01 -0.04 0.93 -0.53 2fbwN1 ILE 196 HD13 -0.22 -0.02 -0.11 -0.04 0.88 0.50 2fbwN1 GLU 197 H -0.10 0.19 -0.12 -0.55 8.60 8.03 2fbwN1 GLU 197 HA 0.33 0.08 0.45 -0.75 4.29 4.39 2fbwN1 GLU 197 HB2 0.26 0.02 0.10 -0.04 2.09 2.42 2fbwN1 GLU 197 HB3 0.12 -0.00 0.04 -0.04 1.99 2.11 2fbwN1 GLU 197 HG2 0.15 0.03 -0.21 -0.04 2.34 2.27 2fbwN1 GLU 197 HG3 0.23 -0.01 0.08 -0.04 2.34 2.60 2fbwN1 ASP 198 H 0.01 0.11 -0.21 -0.55 8.40 7.76 2fbwN1 ASP 198 HA 0.09 0.24 0.95 -0.75 4.63 5.15 2fbwN1 ASP 198 HB2 0.08 0.04 0.13 -0.04 2.71 2.92 2fbwN1 ASP 198 HB3 0.10 0.02 -0.18 -0.04 2.70 2.59 2fbwN1 GLY 199 H -0.00 0.35 0.06 -0.55 8.43 8.29 2fbwN1 GLY 199 HA2 0.02 0.06 0.27 -0.51 4.01 3.86 2fbwN1 GLY 199 HA3 0.06 0.02 0.26 -0.51 4.01 3.84 2fbwN1 THR 200 H 0.09 -0.05 -0.25 -0.55 8.28 7.52 2fbwN1 THR 200 HA 0.10 0.24 0.68 -0.75 4.39 4.65 2fbwN1 THR 200 HB -0.06 0.13 0.00 -0.04 4.32 4.35 2fbwN1 THR 200 HG23 0.06 0.03 -0.07 -0.04 1.22 1.20 2fbwN1 ILE 201 H 0.02 0.66 0.30 -0.55 8.25 8.68 2fbwN1 ILE 201 HA 0.12 0.17 0.93 -0.75 4.18 4.64 2fbwN1 ILE 201 HB 0.02 0.10 0.08 -0.04 1.89 2.04 2fbwN1 ILE 201 HG12 0.08 0.04 -0.07 -0.04 1.49 1.50 2fbwN1 ILE 201 HG13 -0.08 -0.02 -0.08 -0.04 1.21 0.99 2fbwN1 ILE 201 HG23 0.01 -0.02 -0.14 -0.04 0.93 0.74 2fbwN1 ILE 201 HD13 -0.09 -0.01 -0.14 -0.04 0.88 0.60 2fbwN1 HIS 202 H 0.26 0.70 0.37 -0.55 8.41 9.19 2fbwN1 HIS 202 HA -0.01 0.32 1.13 -0.75 4.63 5.32 2fbwN1 HIS 202 HB2 0.14 -0.11 -0.06 -0.04 3.26 3.18 2fbwN1 HIS 202 HB3 -0.30 0.06 -0.10 -0.04 3.20 2.82 2fbwN1 HIS 202 HD2 0.12 0.07 -0.46 -0.04 6.97 6.65 2fbwN1 HIS 202 HE1 0.36 0.01 -0.12 -0.04 7.75 7.96 2fbwN1 ARG 203 H -0.07 0.78 0.37 -0.55 8.46 9.00 2fbwN1 ARG 203 HA 0.06 0.16 1.07 -0.75 4.34 4.87 2fbwN1 ARG 203 HB2 -0.03 -0.02 0.11 -0.04 1.90 1.92 2fbwN1 ARG 203 HB3 0.02 0.04 -0.09 -0.04 1.80 1.72 2fbwN1 ARG 203 HG2 0.03 -0.04 -0.15 -0.04 1.67 1.46 2fbwN1 ARG 203 HG3 -0.01 -0.03 -0.25 -0.04 1.67 1.34 2fbwN1 ARG 203 HD2 0.01 -0.04 -0.17 -0.04 3.22 2.99 2fbwN1 ARG 203 HD3 0.01 0.12 -0.12 -0.04 3.22 3.19 2fbwN1 PHE 204 H 0.24 0.74 0.27 -0.55 8.34 9.03 2fbwN1 PHE 204 HA 0.13 0.14 0.86 -0.75 4.62 5.00 2fbwN1 PHE 204 HB2 -0.07 -0.08 0.15 -0.04 3.15 3.10 2fbwN1 PHE 204 HB3 -0.06 0.03 -0.08 -0.04 3.06 2.92 2fbwN1 PHE 204 HD2 -0.22 0.07 -0.19 -0.04 7.28 6.90 2fbwN1 PHE 204 HE2 -1.41 -0.01 -0.22 -0.04 7.38 5.70 2fbwN1 PHE 204 HZ -1.24 -0.01 -0.20 -0.04 7.32 5.83 2fbwN1 ARG 205 H 0.14 0.65 0.27 -0.55 8.46 8.97 2fbwN1 ARG 205 HA 0.09 0.30 0.94 -0.75 4.34 4.91 2fbwN1 ARG 205 HB2 0.06 -0.00 0.25 -0.04 1.90 2.16 2fbwN1 ARG 205 HB3 0.05 0.13 0.07 -0.04 1.80 2.00 2fbwN1 ARG 205 HG2 0.04 0.02 -0.07 -0.04 1.67 1.61 2fbwN1 ARG 205 HG3 0.04 -0.10 -0.13 -0.04 1.67 1.44 2fbwN1 ARG 205 HD2 0.00 -0.06 -0.05 -0.04 3.22 3.07 2fbwN1 ARG 205 HD3 0.00 -0.03 -0.04 -0.04 3.22 3.12 2fbwN1 ALA 206 H 0.07 0.68 0.11 -0.55 8.40 8.71 2fbwN1 ALA 206 HA 0.10 0.25 0.53 -0.75 4.34 4.46 2fbwN1 ALA 206 HB3 0.10 -0.00 -0.45 -0.04 1.41 1.02 2fbwN1 LYS 207 H 0.08 0.28 0.20 -0.55 8.42 8.43 2fbwN1 LYS 207 HA 0.05 0.08 0.57 -0.75 4.32 4.27 2fbwN1 LYS 207 HB2 0.07 0.04 0.19 -0.04 1.87 2.13 2fbwN1 LYS 207 HB3 0.07 0.01 0.07 -0.04 1.79 1.90 2fbwN1 LYS 207 HG2 0.05 -0.04 0.16 -0.04 1.46 1.59 2fbwN1 LYS 207 HG3 0.04 0.05 0.11 -0.04 1.46 1.63 2fbwN1 LYS 207 HD2 0.07 -0.04 0.00 -0.04 1.69 1.69 2fbwN1 LYS 207 HD3 0.05 -0.04 0.04 -0.04 1.68 1.69 2fbwN1 LYS 207 HE2 0.05 0.14 -0.05 -0.04 2.99 3.09 2fbwN1 LYS 207 HE3 0.08 0.01 0.02 -0.04 2.99 3.06 2fbwN1 ASN 208 H 0.04 0.21 -0.12 -0.55 8.53 8.12 2fbwN1 ASN 208 HA 0.07 0.32 0.95 -0.75 4.76 5.35 2fbwN1 ASN 208 HB2 -0.08 -0.02 0.01 -0.04 2.88 2.75 2fbwN1 ASN 208 HB3 -0.09 -0.05 -0.15 -0.04 2.79 2.46 2fbwN1 ASN 208 HD21 0.04 0.03 -0.12 -0.04 7.03 6.93 2fbwN1 ASN 208 HD22 -0.01 0.00 -0.15 -0.04 7.74 7.55 2fbwN1 THR 209 H 0.08 0.77 0.30 -0.55 8.28 8.89 2fbwN1 THR 209 HA -0.04 0.22 1.06 -0.75 4.39 4.87 2fbwN1 THR 209 HB 0.02 0.08 0.13 -0.04 4.32 4.50 2fbwN1 THR 209 HG23 -0.03 -0.03 -0.23 -0.04 1.22 0.89 2fbwN1 VAL 210 H -0.08 0.71 0.36 -0.55 8.24 8.68 2fbwN1 VAL 210 HA 0.04 0.18 0.87 -0.75 4.13 4.47 2fbwN1 VAL 210 HB -0.11 -0.07 0.09 -0.04 2.12 1.98 2fbwN1 VAL 210 HG13 -0.05 -0.03 -0.32 -0.04 0.97 0.54 2fbwN1 VAL 210 HG23 -0.19 0.04 -0.29 -0.04 0.95 0.47 2fbwN1 ILE 211 H -0.01 0.86 0.27 -0.55 8.25 8.83 2fbwN1 ILE 211 HA -0.06 0.07 0.95 -0.75 4.18 4.38 2fbwN1 ILE 211 HB -0.04 0.12 0.27 -0.04 1.89 2.21 2fbwN1 ILE 211 HG12 -0.06 -0.04 -0.04 -0.04 1.49 1.30 2fbwN1 ILE 211 HG13 -0.03 0.09 -0.13 -0.04 1.21 1.09 2fbwN1 ILE 211 HG23 -0.05 -0.04 -0.03 -0.04 0.93 0.77 2fbwN1 ILE 211 HD13 -0.04 0.02 -0.04 -0.04 0.88 0.78 2fbwN1 ALA 212 H -0.06 0.80 0.30 -0.55 8.40 8.89 2fbwN1 ALA 212 HA -0.02 0.30 0.84 -0.75 4.34 4.70 2fbwN1 ALA 212 HB3 -0.04 -0.03 -0.04 -0.04 1.41 1.26 2fbwN1 THR 213 H -0.05 0.20 0.00 -0.55 8.28 7.89 2fbwN1 THR 213 HA -0.05 0.10 0.60 -0.75 4.39 4.29 2fbwN1 THR 213 HB -0.08 -0.06 0.17 -0.04 4.32 4.31 2fbwN1 THR 213 HG23 -0.10 0.04 -0.02 -0.04 1.22 1.09 2fbwN1 GLY 214 H -0.01 0.01 -0.22 -0.55 8.43 7.65 2fbwN1 GLY 214 HA2 -0.01 -0.13 0.33 -0.51 4.01 3.70 2fbwN1 GLY 214 HA3 -0.02 0.14 0.60 -0.51 4.01 4.23 2fbwN1 GLY 215 H -0.08 0.01 0.14 -0.55 8.43 7.96 2fbwN1 GLY 215 HA2 -0.05 0.38 0.62 -0.51 4.01 4.44 2fbwN1 GLY 215 HA3 -0.22 -0.03 0.35 -0.51 4.01 3.60 2fbwN1 TYR 216 H -0.44 0.20 0.01 -0.55 8.29 7.52 2fbwN1 TYR 216 HA -0.05 0.25 0.49 -0.75 4.56 4.50 2fbwN1 TYR 216 HB2 -0.02 0.12 -0.05 -0.04 3.06 3.07 2fbwN1 TYR 216 HB3 -0.04 -0.05 -0.32 -0.04 2.98 2.52 2fbwN1 TYR 216 HD2 -0.03 -0.04 -0.09 -0.04 7.15 6.95 2fbwN1 TYR 216 HE2 -0.01 0.09 -0.17 -0.04 6.85 6.72 2fbwN1 GLY 217 H -0.20 0.01 -0.08 -0.55 8.43 7.62 2fbwN1 GLY 217 HA2 -0.16 0.10 0.23 -0.51 4.01 3.66 2fbwN1 GLY 217 HA3 -0.18 -0.02 0.19 -0.51 4.01 3.49 2fbwN1 ARG 218 H -0.02 0.28 -0.38 -0.55 8.46 7.79 2fbwN1 ARG 218 HA 0.01 0.16 0.34 -0.75 4.34 4.09 2fbwN1 ARG 218 HB2 0.02 0.15 -0.10 -0.04 1.90 1.94 2fbwN1 ARG 218 HB3 0.04 0.03 -0.05 -0.04 1.80 1.77 2fbwN1 ARG 218 HG2 -0.08 -0.08 -0.17 -0.04 1.67 1.30 2fbwN1 ARG 218 HG3 -0.00 0.00 -0.12 -0.04 1.67 1.50 2fbwN1 ARG 218 HD2 0.01 -0.01 -0.05 -0.04 3.22 3.13 2fbwN1 ARG 218 HD3 -0.04 0.11 -0.07 -0.04 3.22 3.18 2fbwN1 THR 219 H 0.14 0.32 -0.53 -0.55 8.28 7.66 2fbwN1 THR 219 HA 0.06 0.05 0.40 -0.75 4.39 4.15 2fbwN1 THR 219 HB -0.00 -0.01 -0.01 -0.04 4.32 4.25 2fbwN1 THR 219 HG23 0.17 -0.02 -0.01 -0.04 1.22 1.31 2fbwN1 TYR 220 H 0.24 0.31 -0.36 -0.55 8.29 7.92 2fbwN1 TYR 220 HA 0.10 0.18 0.71 -0.75 4.56 4.80 2fbwN1 TYR 220 HB2 -0.01 0.11 0.01 -0.04 3.06 3.13 2fbwN1 TYR 220 HB3 0.07 -0.08 0.05 -0.04 2.98 2.98 2fbwN1 TYR 220 HD2 0.05 -0.05 -0.09 -0.04 7.15 7.02 2fbwN1 TYR 220 HE2 0.09 0.09 -0.17 -0.04 6.85 6.81 2fbwN1 PHE 221 H 0.36 0.14 0.15 -0.55 8.34 8.43 2fbwN1 PHE 221 HA 0.06 0.11 0.42 -0.75 4.62 4.46 2fbwN1 PHE 221 HB2 0.06 0.05 -0.18 -0.04 3.15 3.04 2fbwN1 PHE 221 HB3 0.09 -0.04 0.07 -0.04 3.06 3.15 2fbwN1 PHE 221 HD2 0.05 -0.00 -0.08 -0.04 7.28 7.20 2fbwN1 PHE 221 HE2 0.03 -0.02 -0.02 -0.04 7.38 7.33 2fbwN1 PHE 221 HZ 0.02 -0.02 -0.01 -0.04 7.32 7.27 2fbwN1 SER 222 H 0.22 0.07 0.01 -0.55 8.46 8.22 2fbwN1 SER 222 HA -0.14 0.25 0.90 -0.75 4.49 4.75 2fbwN1 SER 222 HB2 0.09 0.04 -0.07 -0.04 3.95 3.96 2fbwN1 SER 222 HB3 0.13 -0.06 0.12 -0.04 3.93 4.08 2fbwN1 CYS 223 H -0.09 0.39 0.11 -0.55 8.50 8.36 2fbwN1 CYS 223 HA -0.05 0.15 0.63 -0.75 4.58 4.57 2fbwN1 CYS 223 HB2 -0.10 -0.28 -0.02 -0.04 2.97 2.54 2fbwN1 CYS 223 HB3 -0.04 0.15 -0.24 -0.04 2.97 2.80 2fbwN1 THR 224 H -0.01 0.50 0.28 -0.55 8.28 8.50 2fbwN1 THR 224 HA -0.04 0.25 0.58 -0.75 4.39 4.43 2fbwN1 THR 224 HB 0.09 -0.15 0.16 -0.04 4.32 4.38 2fbwN1 THR 224 HG23 -0.00 0.09 -0.02 -0.04 1.22 1.24 2fbwN1 SER 225 H -0.12 0.02 -0.18 -0.55 8.46 7.64 2fbwN1 SER 225 HA -0.49 -0.06 0.38 -0.75 4.49 3.56 2fbwN1 SER 225 HB2 -0.19 0.16 -0.20 -0.04 3.95 3.69 2fbwN1 SER 225 HB3 -0.34 -0.14 0.05 -0.04 3.93 3.45 2fbwN1 ALA 226 H -0.44 -0.08 0.16 -0.55 8.40 7.50 2fbwN1 ALA 226 HA -0.05 0.23 0.51 -0.75 4.34 4.27 2fbwN1 ALA 226 HB3 0.10 -0.02 0.08 -0.04 1.41 1.52 2fbwN1 HIS 227 H 0.00 0.20 0.14 -0.55 8.41 8.21 2fbwN1 HIS 227 HA -0.00 0.20 0.29 -0.75 4.63 4.37 2fbwN1 HIS 227 HB2 0.04 -0.07 0.06 -0.04 3.26 3.25 2fbwN1 HIS 227 HB3 0.03 0.03 0.02 -0.04 3.20 3.24 2fbwN1 HIS 227 HD2 0.03 -0.04 0.05 -0.04 6.97 6.96 2fbwN1 HIS 227 HE1 -0.02 0.06 -0.00 -0.04 7.75 7.75 2fbwN1 THR 228 H 0.08 -0.05 -0.47 -0.55 8.28 7.29 2fbwN1 THR 228 HA 0.09 0.28 0.68 -0.75 4.39 4.68 2fbwN1 THR 228 HB 0.06 -0.04 0.10 -0.04 4.32 4.40 2fbwN1 THR 228 HG23 0.11 0.02 -0.08 -0.04 1.22 1.23 2fbwN1 SER 229 H -0.04 0.56 -0.43 -0.55 8.46 8.01 2fbwN1 SER 229 HA -0.03 0.06 0.66 -0.75 4.49 4.42 2fbwN1 SER 229 HB2 -0.15 0.10 0.11 -0.04 3.95 3.97 2fbwN1 SER 229 HB3 -0.15 -0.14 -0.08 -0.04 3.93 3.52 2fbwN1 THR 230 H 0.02 0.26 0.07 -0.55 8.28 8.09 2fbwN1 THR 230 HA 0.07 0.22 0.82 -0.75 4.39 4.75 2fbwN1 THR 230 HB 0.08 0.11 0.13 -0.04 4.32 4.59 2fbwN1 THR 230 HG23 0.07 -0.00 -0.29 -0.04 1.22 0.95 2fbwN1 GLY 231 H 0.06 0.49 -0.07 -0.55 8.43 8.37 2fbwN1 GLY 231 HA2 0.06 0.03 0.07 -0.51 4.01 3.66 2fbwN1 GLY 231 HA3 0.05 0.12 0.19 -0.51 4.01 3.86 2fbwN1 ASP 232 H -0.03 0.08 -0.25 -0.55 8.40 7.65 2fbwN1 ASP 232 HA -0.03 0.18 0.31 -0.75 4.63 4.34 2fbwN1 ASP 232 HB2 -0.19 -0.10 0.06 -0.04 2.71 2.43 2fbwN1 ASP 232 HB3 -0.26 0.15 0.01 -0.04 2.70 2.57 2fbwN1 GLY 233 H -0.07 0.05 -0.22 -0.55 8.43 7.64 2fbwN1 GLY 233 HA2 -0.08 0.16 0.49 -0.51 4.01 4.07 2fbwN1 GLY 233 HA3 -0.06 -0.05 0.25 -0.51 4.01 3.64 2fbwN1 THR 234 H -0.05 0.07 -0.21 -0.55 8.28 7.54 2fbwN1 THR 234 HA -0.07 0.09 0.39 -0.75 4.39 4.05 2fbwN1 THR 234 HB -0.13 0.16 -0.01 -0.04 4.32 4.30 2fbwN1 THR 234 HG23 -0.13 0.01 -0.10 -0.04 1.22 0.97 2fbwN1 ALA 235 H -0.06 0.40 -0.26 -0.55 8.40 7.93 2fbwN1 ALA 235 HA -0.06 0.07 0.43 -0.75 4.34 4.02 2fbwN1 ALA 235 HB3 -0.02 0.07 0.07 -0.04 1.41 1.48 2fbwN1 MET 236 H -0.05 0.27 -0.29 -0.55 8.47 7.86 2fbwN1 MET 236 HA -0.02 0.09 0.43 -0.75 4.52 4.28 2fbwN1 MET 236 HB2 -0.05 0.08 0.11 -0.04 2.15 2.26 2fbwN1 MET 236 HB3 -0.03 -0.14 -0.03 -0.04 2.03 1.79 2fbwN1 MET 236 HG2 -0.02 0.20 -0.22 -0.04 2.63 2.56 2fbwN1 MET 236 HG3 -0.06 0.33 0.01 -0.04 2.56 2.80 2fbwN1 MET 236 HE3 -0.08 -0.02 -0.11 -0.04 2.10 1.85 2fbwN1 VAL 237 H -0.05 0.39 -0.27 -0.55 8.24 7.77 2fbwN1 VAL 237 HA -0.04 0.00 0.37 -0.75 4.13 3.71 2fbwN1 VAL 237 HB -0.07 0.08 0.11 -0.04 2.12 2.21 2fbwN1 VAL 237 HG13 -0.07 0.03 -0.23 -0.04 0.97 0.65 2fbwN1 VAL 237 HG23 -0.05 -0.01 -0.01 -0.04 0.95 0.84 2fbwN1 THR 238 H -0.06 0.49 -0.15 -0.55 8.28 8.01 2fbwN1 THR 238 HA -0.06 0.23 0.45 -0.75 4.39 4.26 2fbwN1 THR 238 HB -0.05 0.05 0.13 -0.04 4.32 4.41 2fbwN1 THR 238 HG23 -0.05 -0.03 -0.10 -0.04 1.22 1.00 2fbwN1 ARG 239 H -0.02 0.63 -0.18 -0.55 8.46 8.33 2fbwN1 ARG 239 HA 0.00 0.02 0.51 -0.75 4.34 4.11 2fbwN1 ARG 239 HB2 -0.00 0.09 0.19 -0.04 1.90 2.13 2fbwN1 ARG 239 HB3 0.00 -0.09 0.06 -0.04 1.80 1.74 2fbwN1 ARG 239 HG2 0.02 -0.06 0.05 -0.04 1.67 1.63 2fbwN1 ARG 239 HG3 0.01 0.07 0.03 -0.04 1.67 1.74 2fbwN1 ARG 239 HD2 0.01 -0.06 0.01 -0.04 3.22 3.14 2fbwN1 ARG 239 HD3 0.03 -0.01 -0.02 -0.04 3.22 3.17 2fbwN1 ALA 240 H -0.01 0.39 -0.37 -0.55 8.40 7.86 2fbwN1 ALA 240 HA 0.00 0.03 0.55 -0.75 4.34 4.17 2fbwN1 ALA 240 HB3 -0.01 -0.01 0.11 -0.04 1.41 1.46 2fbwN1 GLY 241 H 0.01 0.45 -0.59 -0.55 8.43 7.75 2fbwN1 GLY 241 HA2 0.06 0.02 0.33 -0.51 4.01 3.91 2fbwN1 GLY 241 HA3 0.04 0.01 0.53 -0.51 4.01 4.07 2fbwN1 LEU 242 H 0.00 0.31 -0.14 -0.55 8.37 8.00 2fbwN1 LEU 242 HA 0.06 0.13 0.72 -0.75 4.35 4.50 2fbwN1 LEU 242 HB2 -0.04 -0.00 -0.01 -0.04 1.64 1.54 2fbwN1 LEU 242 HB3 -0.05 0.09 0.03 -0.04 1.64 1.67 2fbwN1 LEU 242 HG -0.00 0.02 -0.22 -0.04 1.64 1.39 2fbwN1 LEU 242 HD13 -0.03 -0.02 -0.08 -0.04 0.93 0.76 2fbwN1 LEU 242 HD23 0.01 0.02 -0.09 -0.04 0.89 0.78 2fbwN1 PRO 243 HA -0.59 0.36 0.91 -0.51 4.44 4.61 2fbwN1 PRO 243 HB2 -0.42 0.04 0.10 -0.04 2.28 1.95 2fbwN1 PRO 243 HB3 -1.22 -0.02 0.02 -0.04 2.02 0.76 2fbwN1 PRO 243 HG2 -0.14 0.10 0.14 -0.04 2.03 2.10 2fbwN1 PRO 243 HG3 -0.06 -0.11 0.10 -0.04 2.03 1.92 2fbwN1 PRO 243 HD2 -0.03 0.09 0.25 -0.04 3.68 3.95 2fbwN1 PRO 243 HD3 0.09 0.11 0.18 -0.04 3.65 3.98 2fbwN1 CYS 244 H -0.28 0.38 0.38 -0.55 8.50 8.44 2fbwN1 CYS 244 HA -0.12 0.17 0.84 -0.75 4.58 4.72 2fbwN1 CYS 244 HB2 -0.13 -0.03 0.04 -0.04 2.97 2.81 2fbwN1 CYS 244 HB3 -0.09 -0.06 0.04 -0.04 2.97 2.82 2fbwN1 GLN 245 H -0.06 0.67 0.34 -0.55 8.47 8.87 2fbwN1 GLN 245 HA -0.04 0.37 1.17 -0.75 4.36 5.10 2fbwN1 GLN 245 HB2 -0.11 0.07 -0.14 -0.04 2.15 1.94 2fbwN1 GLN 245 HB3 -0.10 -0.02 0.03 -0.04 2.02 1.90 2fbwN1 GLN 245 HG2 -0.09 -0.09 -0.28 -0.04 2.40 1.90 2fbwN1 GLN 245 HG3 -0.02 0.07 -0.00 -0.04 2.39 2.40 2fbwN1 GLN 245 HE21 -0.45 0.04 -0.09 -0.04 6.97 6.43 2fbwN1 GLN 245 HE22 -0.32 -0.11 -0.11 -0.04 7.69 7.11 2fbwN1 ASP 246 H 0.10 0.54 0.27 -0.55 8.40 8.76 2fbwN1 ASP 246 HA 0.29 0.03 0.39 -0.75 4.63 4.59 2fbwN1 ASP 246 HB2 0.13 0.12 -0.22 -0.04 2.71 2.71 2fbwN1 ASP 246 HB3 0.35 0.01 0.15 -0.04 2.70 3.17 2fbwN1 LEU 247 H 0.07 0.14 -0.38 -0.55 8.37 7.65 2fbwN1 LEU 247 HA 0.17 0.03 0.32 -0.75 4.35 4.11 2fbwN1 LEU 247 HB2 0.02 0.05 -0.26 -0.04 1.64 1.41 2fbwN1 LEU 247 HB3 0.08 0.05 -0.12 -0.04 1.64 1.61 2fbwN1 LEU 247 HG -0.02 -0.04 -0.24 -0.04 1.64 1.31 2fbwN1 LEU 247 HD13 -0.16 0.01 -0.11 -0.04 0.93 0.63 2fbwN1 LEU 247 HD23 0.09 -0.02 -0.19 -0.04 0.89 0.73 2fbwN1 GLU 248 H 0.01 0.01 -0.39 -0.55 8.60 7.68 2fbwN1 GLU 248 HA -0.02 0.14 0.46 -0.75 4.29 4.11 2fbwN1 GLU 248 HB2 -0.33 0.05 0.09 -0.04 2.09 1.86 2fbwN1 GLU 248 HB3 -0.18 -0.03 -0.02 -0.04 1.99 1.72 2fbwN1 GLU 248 HG2 -1.14 0.02 -0.35 -0.04 2.34 0.82 2fbwN1 GLU 248 HG3 -0.92 0.10 -0.16 -0.04 2.34 1.33 2fbwN1 PHE 249 H 0.19 0.41 -0.50 -0.55 8.34 7.89 2fbwN1 PHE 249 HA 0.07 0.18 0.78 -0.75 4.62 4.89 2fbwN1 PHE 249 HB2 0.05 0.09 0.20 -0.04 3.15 3.45 2fbwN1 PHE 249 HB3 0.06 -0.07 0.05 -0.04 3.06 3.07 2fbwN1 PHE 249 HD2 0.07 0.01 0.08 -0.04 7.28 7.40 2fbwN1 PHE 249 HE2 0.08 0.10 0.03 -0.04 7.38 7.54 2fbwN1 PHE 249 HZ 0.03 0.06 -0.03 -0.04 7.32 7.35 2fbwN1 VAL 250 H 0.07 0.43 0.10 -0.55 8.24 8.28 2fbwN1 VAL 250 HA -0.09 0.04 1.04 -0.75 4.13 4.37 2fbwN1 VAL 250 HB -0.13 0.15 0.07 -0.04 2.12 2.17 2fbwN1 VAL 250 HG13 -0.66 -0.04 -0.20 -0.04 0.97 0.03 2fbwN1 VAL 250 HG23 0.05 0.01 -0.20 -0.04 0.95 0.78 2fbwN1 GLN 251 H -0.09 0.55 0.35 -0.55 8.47 8.73 2fbwN1 GLN 251 HA 0.03 0.21 0.71 -0.75 4.36 4.56 2fbwN1 GLN 251 HB2 0.12 -0.03 0.01 -0.04 2.15 2.21 2fbwN1 GLN 251 HB3 0.15 -0.07 0.20 -0.04 2.02 2.26 2fbwN1 GLN 251 HG2 0.14 -0.12 -0.45 -0.04 2.40 1.93 2fbwN1 GLN 251 HG3 0.05 0.17 -0.25 -0.04 2.39 2.32 2fbwN1 GLN 251 HE21 -0.05 0.42 0.05 -0.04 6.97 7.35 2fbwN1 GLN 251 HE22 0.02 0.03 -0.02 -0.04 7.69 7.68 2fbwN1 PHE 252 H 0.21 0.28 0.17 -0.55 8.34 8.46 2fbwN1 PHE 252 HA -0.02 0.12 0.55 -0.75 4.62 4.51 2fbwN1 PHE 252 HB2 -0.07 -0.01 0.07 -0.04 3.15 3.11 2fbwN1 PHE 252 HB3 -0.05 0.01 -0.21 -0.04 3.06 2.78 2fbwN1 PHE 252 HD2 -0.08 -0.02 -0.06 -0.04 7.28 7.09 2fbwN1 PHE 252 HE2 -0.10 0.12 -0.03 -0.04 7.38 7.33 2fbwN1 PHE 252 HZ -0.05 0.32 0.01 -0.04 7.32 7.56 2fbwN1 HIS 253 H 0.12 0.67 0.22 -0.55 8.41 8.88 2fbwN1 HIS 253 HA -0.11 0.04 0.57 -0.75 4.63 4.38 2fbwN1 HIS 253 HB2 -0.58 -0.05 0.06 -0.04 3.26 2.65 2fbwN1 HIS 253 HB3 -0.21 0.10 0.04 -0.04 3.20 3.08 2fbwN1 HIS 253 HD2 -0.70 -0.06 0.00 -0.04 6.97 6.17 2fbwN1 HIS 253 HE1 -0.12 0.17 0.00 -0.04 7.75 7.76 2fbwN1 PRO 254 HA 0.01 0.10 0.33 -0.51 4.44 4.38 2fbwN1 PRO 254 HB2 -0.09 0.01 -0.05 -0.04 2.28 2.12 2fbwN1 PRO 254 HB3 -0.05 0.05 -0.08 -0.04 2.02 1.90 2fbwN1 PRO 254 HG2 -0.25 0.02 0.06 -0.04 2.03 1.82 2fbwN1 PRO 254 HG3 -0.14 0.08 0.09 -0.04 2.03 2.02 2fbwN1 PRO 254 HD2 -0.93 -0.01 0.21 -0.04 3.68 2.91 2fbwN1 PRO 254 HD3 -0.30 0.21 0.32 -0.04 3.65 3.83 2fbwN1 THR 255 H 0.56 -0.01 -0.33 -0.55 8.28 7.95 2fbwN1 THR 255 HA 0.09 0.37 1.19 -0.75 4.39 5.28 2fbwN1 THR 255 HB 0.06 0.03 -0.07 -0.04 4.32 4.30 2fbwN1 THR 255 HG23 0.05 -0.01 -0.35 -0.04 1.22 0.87 2fbwN1 GLY 256 H 0.05 0.66 0.00 -0.55 8.43 8.60 2fbwN1 GLY 256 HA2 -0.07 0.04 0.69 -0.51 4.01 4.15 2fbwN1 GLY 256 HA3 -0.02 0.10 0.13 -0.51 4.01 3.71 2fbwN1 ILE 257 H -0.05 0.79 -0.05 -0.55 8.25 8.40 2fbwN1 ILE 257 HA 0.04 0.15 0.46 -0.75 4.18 4.08 2fbwN1 ILE 257 HB -0.01 0.04 -0.00 -0.04 1.89 1.88 2fbwN1 ILE 257 HG12 0.06 0.14 0.00 -0.04 1.49 1.65 2fbwN1 ILE 257 HG13 0.06 0.04 0.02 -0.04 1.21 1.28 2fbwN1 ILE 257 HG23 -0.06 -0.03 -0.15 -0.04 0.93 0.64 2fbwN1 ILE 257 HD13 0.09 -0.03 -0.10 -0.04 0.88 0.80 2fbwN1 TYR 258 H 0.11 0.67 0.21 -0.55 8.29 8.72 2fbwN1 TYR 258 HA -0.03 0.02 0.26 -0.75 4.56 4.06 2fbwN1 TYR 258 HB2 -0.28 -0.02 -0.21 -0.04 3.06 2.51 2fbwN1 TYR 258 HB3 -0.24 0.02 0.05 -0.04 2.98 2.76 2fbwN1 TYR 258 HD2 -0.05 0.03 -0.12 -0.04 7.15 6.97 2fbwN1 TYR 258 HE2 0.10 0.03 -0.09 -0.04 6.85 6.85 2fbwN1 GLY 259 H -0.48 0.17 0.06 -0.55 8.43 7.64 2fbwN1 GLY 259 HA2 -0.38 0.01 0.36 -0.51 4.01 3.48 2fbwN1 GLY 259 HA3 -0.25 0.18 0.86 -0.51 4.01 4.29 2fbwN1 ALA 260 H -0.06 0.31 -0.01 -0.55 8.40 8.09 2fbwN1 ALA 260 HA -0.09 0.06 0.41 -0.75 4.34 3.97 2fbwN1 ALA 260 HB3 -0.19 -0.00 0.08 -0.04 1.41 1.26 2fbwN1 GLY 261 H -0.11 0.55 -0.33 -0.55 8.43 8.00 2fbwN1 GLY 261 HA2 -0.07 0.02 0.10 -0.51 4.01 3.56 2fbwN1 GLY 261 HA3 -0.10 0.19 0.56 -0.51 4.01 4.14 2fbwN1 CYS 262 H -0.23 0.05 -0.39 -0.55 8.50 7.38 2fbwN1 CYS 262 HA -0.15 0.06 0.36 -0.75 4.58 4.10 2fbwN1 CYS 262 HB2 -0.25 -0.04 0.00 -0.04 2.97 2.64 2fbwN1 CYS 262 HB3 -0.21 0.02 0.02 -0.04 2.97 2.75 2fbwN1 LEU 263 H -0.07 0.10 0.22 -0.55 8.37 8.08 2fbwN1 LEU 263 HA -0.15 0.16 0.54 -0.75 4.35 4.14 2fbwN1 LEU 263 HB2 -0.07 0.02 0.13 -0.04 1.64 1.68 2fbwN1 LEU 263 HB3 -0.05 0.01 0.14 -0.04 1.64 1.70 2fbwN1 LEU 263 HG -0.23 0.11 -0.47 -0.04 1.64 1.00 2fbwN1 LEU 263 HD13 -1.07 -0.01 -0.06 -0.04 0.93 -0.26 2fbwN1 LEU 263 HD23 -0.02 -0.06 -0.06 -0.04 0.89 0.72 2fbwN1 ILE 264 H -0.13 0.69 0.29 -0.55 8.25 8.55 2fbwN1 ILE 264 HA -0.01 0.08 0.83 -0.75 4.18 4.32 2fbwN1 ILE 264 HB 0.01 0.09 0.09 -0.04 1.89 2.04 2fbwN1 ILE 264 HG12 -0.01 0.07 -0.25 -0.04 1.49 1.27 2fbwN1 ILE 264 HG13 0.03 0.02 -0.15 -0.04 1.21 1.06 2fbwN1 ILE 264 HG23 0.02 -0.01 -0.11 -0.04 0.93 0.80 2fbwN1 ILE 264 HD13 0.03 0.01 -0.05 -0.04 0.88 0.83 2fbwN1 THR 265 H 0.01 0.17 0.08 -0.55 8.28 7.99 2fbwN1 THR 265 HA 0.03 0.04 0.25 -0.75 4.39 3.96 2fbwN1 THR 265 HB 0.08 0.08 0.16 -0.04 4.32 4.60 2fbwN1 THR 265 HG23 0.07 0.02 0.03 -0.04 1.22 1.29 2fbwN1 GLU 266 H 0.11 0.09 0.24 -0.55 8.60 8.50 2fbwN1 GLU 266 HA -0.14 0.19 0.52 -0.75 4.29 4.11 2fbwN1 GLU 266 HB2 -0.25 0.07 0.18 -0.04 2.09 2.06 2fbwN1 GLU 266 HB3 -0.43 -0.10 0.17 -0.04 1.99 1.58 2fbwN1 GLU 266 HG2 -1.58 -0.04 -0.01 -0.04 2.34 0.67 2fbwN1 GLU 266 HG3 -0.51 0.12 0.15 -0.04 2.34 2.06 2fbwN1 GLY 267 H 0.07 -0.06 -0.32 -0.55 8.43 7.58 2fbwN1 GLY 267 HA2 0.11 0.17 0.42 -0.51 4.01 4.20 2fbwN1 GLY 267 HA3 0.19 0.12 0.23 -0.51 4.01 4.04 2fbwN1 CYS 268 H 0.00 0.41 -0.51 -0.55 8.50 7.86 2fbwN1 CYS 268 HA 0.01 0.07 0.26 -0.75 4.58 4.17 2fbwN1 CYS 268 HB2 -0.01 0.09 0.02 -0.04 2.97 3.04 2fbwN1 CYS 268 HB3 0.00 0.00 -0.15 -0.04 2.97 2.78 2fbwN1 ARG 269 H -0.07 0.12 -0.21 -0.55 8.46 7.74 2fbwN1 ARG 269 HA -0.03 0.24 0.43 -0.75 4.34 4.22 2fbwN1 ARG 269 HB2 -0.15 -0.00 0.09 -0.04 1.90 1.79 2fbwN1 ARG 269 HB3 -0.10 0.05 -0.09 -0.04 1.80 1.62 2fbwN1 ARG 269 HG2 -0.06 0.07 -0.20 -0.04 1.67 1.45 2fbwN1 ARG 269 HG3 -0.05 -0.10 -0.12 -0.04 1.67 1.35 2fbwN1 ARG 269 HD2 -0.12 0.36 0.09 -0.04 3.22 3.51 2fbwN1 ARG 269 HD3 -0.08 -0.07 -0.06 -0.04 3.22 2.97 2fbwN1 GLY 270 H -0.11 0.32 -0.23 -0.55 8.43 7.87 2fbwN1 GLY 270 HA2 -0.03 -0.03 0.22 -0.51 4.01 3.67 2fbwN1 GLY 270 HA3 0.02 0.17 0.26 -0.51 4.01 3.95 2fbwN1 GLU 271 H 0.04 0.50 -0.31 -0.55 8.60 8.28 2fbwN1 GLU 271 HA 0.09 0.07 0.63 -0.75 4.29 4.33 2fbwN1 GLU 271 HB2 0.03 0.04 0.01 -0.04 2.09 2.13 2fbwN1 GLU 271 HB3 0.05 -0.06 0.10 -0.04 1.99 2.03 2fbwN1 GLU 271 HG2 0.11 0.11 -0.01 -0.04 2.34 2.50 2fbwN1 GLU 271 HG3 0.08 -0.09 -0.13 -0.04 2.34 2.17 2fbwN1 GLY 272 H 0.02 0.41 -0.50 -0.55 8.43 7.81 2fbwN1 GLY 272 HA2 0.05 -0.01 0.25 -0.51 4.01 3.80 2fbwN1 GLY 272 HA3 0.04 0.15 0.89 -0.51 4.01 4.59 2fbwN1 GLY 273 H 0.01 0.46 0.09 -0.55 8.43 8.44 2fbwN1 GLY 273 HA2 0.13 0.17 0.52 -0.51 4.01 4.32 2fbwN1 GLY 273 HA3 0.02 -0.10 0.10 -0.51 4.01 3.52 2fbwN1 ILE 274 H 0.07 0.42 0.30 -0.55 8.25 8.48 2fbwN1 ILE 274 HA -0.05 0.14 0.91 -0.75 4.18 4.43 2fbwN1 ILE 274 HB -0.10 -0.03 0.05 -0.04 1.89 1.77 2fbwN1 ILE 274 HG12 -0.11 0.08 0.06 -0.04 1.49 1.47 2fbwN1 ILE 274 HG13 -0.06 -0.11 -0.13 -0.04 1.21 0.87 2fbwN1 ILE 274 HG23 -0.05 0.05 -0.20 -0.04 0.93 0.70 2fbwN1 ILE 274 HD13 -0.17 0.01 -0.08 -0.04 0.88 0.60 2fbwN1 LEU 275 H -0.17 0.08 0.17 -0.55 8.37 7.91 2fbwN1 LEU 275 HA 0.01 0.35 1.02 -0.75 4.35 4.97 2fbwN1 LEU 275 HB2 -0.51 -0.15 0.13 -0.04 1.64 1.07 2fbwN1 LEU 275 HB3 -0.06 0.09 0.01 -0.04 1.64 1.63 2fbwN1 LEU 275 HG -0.09 -0.06 -0.06 -0.04 1.64 1.39 2fbwN1 LEU 275 HD13 -0.07 -0.01 -0.06 -0.04 0.93 0.75 2fbwN1 LEU 275 HD23 0.05 0.02 -0.16 -0.04 0.89 0.76 2fbwN1 ILE 276 H 0.17 0.71 0.39 -0.55 8.25 8.97 2fbwN1 ILE 276 HA 0.15 0.30 0.98 -0.75 4.18 4.86 2fbwN1 ILE 276 HB 0.14 -0.05 -0.16 -0.04 1.89 1.78 2fbwN1 ILE 276 HG12 0.17 -0.03 -0.07 -0.04 1.49 1.52 2fbwN1 ILE 276 HG13 0.30 0.00 -0.15 -0.04 1.21 1.32 2fbwN1 ILE 276 HG23 0.01 -0.02 -0.39 -0.04 0.93 0.50 2fbwN1 ILE 276 HD13 0.12 -0.00 -0.09 -0.04 0.88 0.86 2fbwN1 ASN 277 H 0.30 0.25 0.18 -0.55 8.53 8.71 2fbwN1 ASN 277 HA 0.04 0.21 0.93 -0.75 4.76 5.18 2fbwN1 ASN 277 HB2 -0.10 0.32 0.33 -0.04 2.88 3.39 2fbwN1 ASN 277 HB3 -0.22 -0.01 0.09 -0.04 2.79 2.61 2fbwN1 ASN 277 HD21 0.09 -0.00 0.02 -0.04 7.03 7.09 2fbwN1 ASN 277 HD22 -0.05 0.06 0.03 -0.04 7.74 7.74 2fbwN1 SER 278 H -0.06 0.70 0.23 -0.55 8.46 8.78 2fbwN1 SER 278 HA 0.04 0.07 0.39 -0.75 4.49 4.23 2fbwN1 SER 278 HB2 -0.02 -0.03 0.09 -0.04 3.95 3.94 2fbwN1 SER 278 HB3 -0.10 0.11 -0.18 -0.04 3.93 3.72 2fbwN1 GLN 279 H 0.04 -0.01 -0.28 -0.55 8.47 7.67 2fbwN1 GLN 279 HA 0.03 0.24 0.73 -0.75 4.36 4.61 2fbwN1 GLN 279 HB2 0.04 -0.11 0.05 -0.04 2.15 2.09 2fbwN1 GLN 279 HB3 0.03 0.03 0.13 -0.04 2.02 2.17 2fbwN1 GLN 279 HG2 0.01 0.07 -0.00 -0.04 2.40 2.43 2fbwN1 GLN 279 HG3 0.00 -0.00 -0.08 -0.04 2.39 2.27 2fbwN1 GLN 279 HE21 -0.01 0.01 -0.01 -0.04 6.97 6.93 2fbwN1 GLN 279 HE22 -0.01 0.07 -0.02 -0.04 7.69 7.69 2fbwN1 GLY 280 H 0.10 0.45 -0.42 -0.55 8.43 8.01 2fbwN1 GLY 280 HA2 0.10 0.05 0.24 -0.51 4.01 3.89 2fbwN1 GLY 280 HA3 0.06 0.14 0.43 -0.51 4.01 4.14 2fbwN1 GLU 281 H 0.10 -0.07 -0.43 -0.55 8.60 7.65 2fbwN1 GLU 281 HA 0.06 0.18 0.51 -0.75 4.29 4.29 2fbwN1 GLU 281 HB2 0.07 0.12 -0.03 -0.04 2.09 2.21 2fbwN1 GLU 281 HB3 0.14 -0.10 0.04 -0.04 1.99 2.03 2fbwN1 GLU 281 HG2 0.14 -0.09 -0.71 -0.04 2.34 1.65 2fbwN1 GLU 281 HG3 0.07 0.07 -0.12 -0.04 2.34 2.32 2fbwN1 ARG 282 H 0.03 0.23 0.12 -0.55 8.46 8.29 2fbwN1 ARG 282 HA -0.11 0.40 0.75 -0.75 4.34 4.63 2fbwN1 ARG 282 HB2 -0.05 0.09 0.14 -0.04 1.90 2.04 2fbwN1 ARG 282 HB3 -0.04 -0.01 0.26 -0.04 1.80 1.97 2fbwN1 ARG 282 HG2 -0.13 -0.21 0.04 -0.04 1.67 1.34 2fbwN1 ARG 282 HG3 -0.13 0.07 0.09 -0.04 1.67 1.66 2fbwN1 ARG 282 HD2 -0.08 0.07 0.03 -0.04 3.22 3.19 2fbwN1 ARG 282 HD3 -0.06 0.01 0.06 -0.04 3.22 3.19 2fbwN1 PHE 283 H 0.07 0.43 -0.07 -0.55 8.34 8.22 2fbwN1 PHE 283 HA 0.08 0.09 0.28 -0.75 4.62 4.31 2fbwN1 PHE 283 HB2 0.29 0.02 0.01 -0.04 3.15 3.43 2fbwN1 PHE 283 HB3 0.10 0.03 0.00 -0.04 3.06 3.15 2fbwN1 PHE 283 HD2 0.03 0.03 -0.16 -0.04 7.28 7.14 2fbwN1 PHE 283 HE2 -0.05 0.02 -0.39 -0.04 7.38 6.92 2fbwN1 PHE 283 HZ -0.03 0.02 -0.13 -0.04 7.32 7.15 2fbwN1 MET 284 H -0.49 0.19 -0.26 -0.55 8.47 7.36 2fbwN1 MET 284 HA 0.20 0.06 0.42 -0.75 4.52 4.44 2fbwN1 MET 284 HB2 -0.18 0.00 -0.15 -0.04 2.15 1.78 2fbwN1 MET 284 HB3 -0.05 0.06 -0.33 -0.04 2.03 1.67 2fbwN1 MET 284 HG2 -0.50 -0.01 -0.06 -0.04 2.63 2.02 2fbwN1 MET 284 HG3 -0.16 0.02 -0.14 -0.04 2.56 2.24 2fbwN1 MET 284 HE3 0.03 0.03 -0.12 -0.04 2.10 1.99 2fbwN1 GLU 285 H -0.01 0.43 -0.34 -0.55 8.60 8.13 2fbwN1 GLU 285 HA 0.01 0.15 0.29 -0.75 4.29 3.99 2fbwN1 GLU 285 HB2 0.01 0.08 0.08 -0.04 2.09 2.22 2fbwN1 GLU 285 HB3 0.00 0.02 0.04 -0.04 1.99 2.01 2fbwN1 GLU 285 HG2 -0.02 0.05 0.03 -0.04 2.34 2.36 2fbwN1 GLU 285 HG3 -0.04 -0.06 0.06 -0.04 2.34 2.26 2fbwN1 ARG 286 H 0.10 0.26 -0.54 -0.55 8.46 7.72 2fbwN1 ARG 286 HA -0.03 0.12 0.49 -0.75 4.34 4.17 2fbwN1 ARG 286 HB2 -0.01 -0.06 -0.01 -0.04 1.90 1.78 2fbwN1 ARG 286 HB3 -0.01 0.19 0.12 -0.04 1.80 2.06 2fbwN1 ARG 286 HG2 -0.41 0.01 -0.13 -0.04 1.67 1.09 2fbwN1 ARG 286 HG3 -0.14 0.00 0.01 -0.04 1.67 1.50 2fbwN1 ARG 286 HD2 -0.11 0.01 -0.03 -0.04 3.22 3.05 2fbwN1 ARG 286 HD3 -0.04 -0.01 -0.03 -0.04 3.22 3.09 2fbwN1 TYR 287 H 0.30 0.14 -0.04 -0.55 8.29 8.13 2fbwN1 TYR 287 HA 0.06 0.17 0.63 -0.75 4.56 4.66 2fbwN1 TYR 287 HB2 0.09 -0.06 0.05 -0.04 3.06 3.10 2fbwN1 TYR 287 HB3 0.08 -0.02 0.01 -0.04 2.98 3.01 2fbwN1 TYR 287 HD2 0.16 0.10 -0.03 -0.04 7.15 7.34 2fbwN1 TYR 287 HE2 0.10 -0.02 -0.05 -0.04 6.85 6.85 2fbwN1 ALA 288 H 0.14 0.65 -0.20 -0.55 8.40 8.45 2fbwN1 ALA 288 HA 0.11 0.09 0.71 -0.75 4.34 4.49 2fbwN1 ALA 288 HB3 0.10 0.00 0.06 -0.04 1.41 1.54 2fbwN1 PRO 289 HA 0.02 0.26 0.43 -0.51 4.44 4.64 2fbwN1 PRO 289 HB2 0.02 -0.08 0.06 -0.04 2.28 2.25 2fbwN1 PRO 289 HB3 0.01 0.03 0.08 -0.04 2.02 2.11 2fbwN1 PRO 289 HG2 0.02 -0.00 0.02 -0.04 2.03 2.03 2fbwN1 PRO 289 HG3 0.01 0.18 0.04 -0.04 2.03 2.22 2fbwN1 PRO 289 HD2 0.05 -0.01 0.04 -0.04 3.68 3.71 2fbwN1 PRO 289 HD3 0.05 0.23 -0.45 -0.04 3.65 3.45 2fbwN1 VAL 290 H 0.04 0.06 -0.26 -0.55 8.24 7.53 2fbwN1 VAL 290 HA 0.02 0.15 0.58 -0.75 4.13 4.13 2fbwN1 VAL 290 HB 0.04 0.07 0.09 -0.04 2.12 2.28 2fbwN1 VAL 290 HG13 0.02 -0.01 -0.14 -0.04 0.97 0.80 2fbwN1 VAL 290 HG23 0.02 -0.00 -0.03 -0.04 0.95 0.89 2fbwN1 ALA 291 H 0.08 0.43 -0.02 -0.55 8.40 8.34 2fbwN1 ALA 291 HA 0.04 0.08 0.33 -0.75 4.34 4.02 2fbwN1 ALA 291 HB3 0.11 -0.03 -0.16 -0.04 1.41 1.29 2fbwN1 LYS 292 H 0.04 0.54 -0.25 -0.55 8.42 8.20 2fbwN1 LYS 292 HA 0.00 0.20 0.08 -0.75 4.32 3.86 2fbwN1 LYS 292 HB2 -0.02 0.16 -0.14 -0.04 1.87 1.83 2fbwN1 LYS 292 HB3 -0.04 -0.19 0.09 -0.04 1.79 1.61 2fbwN1 LYS 292 HG2 -0.00 -0.05 -0.15 -0.04 1.46 1.21 2fbwN1 LYS 292 HG3 0.01 0.25 -0.35 -0.04 1.46 1.32 2fbwN1 LYS 292 HD2 -0.01 -0.02 -0.05 -0.04 1.69 1.57 2fbwN1 LYS 292 HD3 -0.02 -0.11 -0.02 -0.04 1.68 1.49 2fbwN1 LYS 292 HE2 -0.00 -0.01 0.07 -0.04 2.99 3.01 2fbwN1 LYS 292 HE3 0.00 0.20 0.09 -0.04 2.99 3.25 2fbwN1 ASP 293 H -0.07 0.24 0.15 -0.55 8.40 8.17 2fbwN1 ASP 293 HA -0.11 0.05 0.49 -0.75 4.63 4.30 2fbwN1 ASP 293 HB2 -0.08 0.17 0.05 -0.04 2.71 2.81 2fbwN1 ASP 293 HB3 -0.11 -0.05 0.16 -0.04 2.70 2.65 2fbwN1 LEU 294 H -0.05 0.58 -0.53 -0.55 8.37 7.82 2fbwN1 LEU 294 HA -0.13 0.12 0.81 -0.75 4.35 4.39 2fbwN1 LEU 294 HB2 -0.04 0.20 0.07 -0.04 1.64 1.82 2fbwN1 LEU 294 HB3 -0.07 -0.13 0.08 -0.04 1.64 1.48 2fbwN1 LEU 294 HG -0.07 0.01 -0.36 -0.04 1.64 1.17 2fbwN1 LEU 294 HD13 -0.04 0.04 -0.11 -0.04 0.93 0.78 2fbwN1 LEU 294 HD23 -0.15 -0.03 -0.35 -0.04 0.89 0.32 2fbwN1 ALA 295 H -0.09 0.27 -0.42 -0.55 8.40 7.61 2fbwN1 ALA 295 HA -0.13 0.06 0.51 -0.75 4.34 4.03 2fbwN1 ALA 295 HB3 -0.06 0.00 0.00 -0.04 1.41 1.31 2fbwN1 SER 296 H -1.03 0.11 0.07 -0.55 8.46 7.07 2fbwN1 SER 296 HA -0.33 0.11 0.28 -0.75 4.49 3.80 2fbwN1 SER 296 HB2 -0.25 0.01 0.03 -0.04 3.95 3.71 2fbwN1 SER 296 HB3 -0.78 0.13 0.07 -0.04 3.93 3.30 2fbwN1 ARG 297 H -0.16 0.19 0.12 -0.55 8.46 8.06 2fbwN1 ARG 297 HA -0.17 0.07 0.32 -0.75 4.34 3.81 2fbwN1 ARG 297 HB2 -0.10 0.04 0.12 -0.04 1.90 1.93 2fbwN1 ARG 297 HB3 -0.13 0.17 0.08 -0.04 1.80 1.87 2fbwN1 ARG 297 HG2 -0.31 0.02 0.10 -0.04 1.67 1.44 2fbwN1 ARG 297 HG3 -0.18 -0.04 0.14 -0.04 1.67 1.55 2fbwN1 ARG 297 HD2 -0.10 0.11 0.01 -0.04 3.22 3.20 2fbwN1 ARG 297 HD3 -0.24 0.04 0.00 -0.04 3.22 2.99 2fbwN1 ASP 298 H -0.07 0.09 -0.19 -0.55 8.40 7.67 2fbwN1 ASP 298 HA -0.01 0.14 0.41 -0.75 4.63 4.40 2fbwN1 ASP 298 HB2 0.02 0.25 -0.22 -0.04 2.71 2.72 2fbwN1 ASP 298 HB3 0.04 -0.03 -0.04 -0.04 2.70 2.63 2fbwN1 VAL 299 H -0.09 0.07 -0.37 -0.55 8.24 7.30 2fbwN1 VAL 299 HA -0.01 0.15 0.44 -0.75 4.13 3.95 2fbwN1 VAL 299 HB -0.08 0.01 0.03 -0.04 2.12 2.03 2fbwN1 VAL 299 HG13 0.07 -0.00 -0.14 -0.04 0.97 0.86 2fbwN1 VAL 299 HG23 0.10 -0.00 -0.04 -0.04 0.95 0.97 2fbwN1 VAL 300 H -0.11 0.48 -0.13 -0.55 8.24 7.93 2fbwN1 VAL 300 HA -0.06 0.03 0.36 -0.75 4.13 3.70 2fbwN1 VAL 300 HB -0.12 0.00 0.04 -0.04 2.12 2.00 2fbwN1 VAL 300 HG13 -0.06 -0.01 -0.11 -0.04 0.97 0.76 2fbwN1 VAL 300 HG23 -0.12 0.06 -0.16 -0.04 0.95 0.69 2fbwN1 SER 301 H -0.08 0.60 -0.12 -0.55 8.46 8.32 2fbwN1 SER 301 HA -0.05 0.00 0.39 -0.75 4.49 4.07 2fbwN1 SER 301 HB2 -0.05 0.16 0.15 -0.04 3.95 4.17 2fbwN1 SER 301 HB3 -0.10 -0.02 -0.04 -0.04 3.93 3.74 2fbwN1 ARG 302 H -0.13 0.48 -0.17 -0.55 8.46 8.08 2fbwN1 ARG 302 HA -0.26 0.02 0.39 -0.75 4.34 3.73 2fbwN1 ARG 302 HB2 -0.10 0.08 0.17 -0.04 1.90 2.01 2fbwN1 ARG 302 HB3 0.01 -0.04 -0.04 -0.04 1.80 1.69 2fbwN1 ARG 302 HG2 -1.10 -0.04 -0.02 -0.04 1.67 0.47 2fbwN1 ARG 302 HG3 -0.35 0.10 0.07 -0.04 1.67 1.45 2fbwN1 ARG 302 HD2 -0.05 -0.06 -0.04 -0.04 3.22 3.03 2fbwN1 ARG 302 HD3 -0.35 0.06 -0.04 -0.04 3.22 2.85 2fbwN1 SER 303 H -0.13 0.60 -0.16 -0.55 8.46 8.22 2fbwN1 SER 303 HA -0.55 0.01 0.38 -0.75 4.49 3.58 2fbwN1 SER 303 HB2 -0.18 0.05 0.11 -0.04 3.95 3.88 2fbwN1 SER 303 HB3 -1.09 -0.10 -0.03 -0.04 3.93 2.67 2fbwN1 MET 304 H -0.07 0.77 -0.07 -0.55 8.47 8.56 2fbwN1 MET 304 HA -0.21 -0.05 0.41 -0.75 4.52 3.91 2fbwN1 MET 304 HB2 -0.02 0.14 0.13 -0.04 2.15 2.37 2fbwN1 MET 304 HB3 -0.01 -0.02 -0.02 -0.04 2.03 1.95 2fbwN1 MET 304 HG2 0.29 -0.08 -0.04 -0.04 2.63 2.76 2fbwN1 MET 304 HG3 0.16 0.05 0.02 -0.04 2.56 2.74 2fbwN1 MET 304 HE3 0.09 0.05 -0.16 -0.04 2.10 2.04 2fbwN1 THR 305 H -0.07 0.54 -0.24 -0.55 8.28 7.96 2fbwN1 THR 305 HA -0.03 0.03 0.45 -0.75 4.39 4.09 2fbwN1 THR 305 HB 0.12 0.14 0.15 -0.04 4.32 4.70 2fbwN1 THR 305 HG23 0.10 -0.03 -0.01 -0.04 1.22 1.24 2fbwN1 ILE 306 H -0.02 0.52 -0.15 -0.55 8.25 8.05 2fbwN1 ILE 306 HA -0.02 0.03 0.48 -0.75 4.18 3.91 2fbwN1 ILE 306 HB -0.00 0.09 0.17 -0.04 1.89 2.10 2fbwN1 ILE 306 HG12 -0.05 -0.04 0.00 -0.04 1.49 1.37 2fbwN1 ILE 306 HG13 0.22 0.13 0.03 -0.04 1.21 1.54 2fbwN1 ILE 306 HG23 0.10 -0.02 -0.11 -0.04 0.93 0.86 2fbwN1 ILE 306 HD13 0.22 -0.02 -0.08 -0.04 0.88 0.95 2fbwN1 GLU 307 H -0.21 0.58 -0.07 -0.55 8.60 8.35 2fbwN1 GLU 307 HA -0.12 -0.01 0.29 -0.75 4.29 3.70 2fbwN1 GLU 307 HB2 -0.49 0.17 0.11 -0.04 2.09 1.83 2fbwN1 GLU 307 HB3 -0.46 -0.06 -0.09 -0.04 1.99 1.34 2fbwN1 GLU 307 HG2 -0.45 0.18 0.02 -0.04 2.34 2.04 2fbwN1 GLU 307 HG3 -1.76 -0.11 -0.06 -0.04 2.34 0.36 2fbwN1 ILE 308 H -0.14 0.46 -0.38 -0.55 8.25 7.64 2fbwN1 ILE 308 HA -0.13 -0.05 0.40 -0.75 4.18 3.66 2fbwN1 ILE 308 HB -0.06 0.10 0.14 -0.04 1.89 2.02 2fbwN1 ILE 308 HG12 -0.13 -0.07 -0.19 -0.04 1.49 1.05 2fbwN1 ILE 308 HG13 -0.14 0.10 -0.04 -0.04 1.21 1.08 2fbwN1 ILE 308 HG23 -0.06 0.05 -0.02 -0.04 0.93 0.86 2fbwN1 ILE 308 HD13 -0.03 0.01 -0.16 -0.04 0.88 0.65 2fbwN1 ARG 309 H -0.06 0.54 -0.03 -0.55 8.46 8.35 2fbwN1 ARG 309 HA -0.05 0.02 0.40 -0.75 4.34 3.95 2fbwN1 ARG 309 HB2 -0.06 0.06 0.20 -0.04 1.90 2.05 2fbwN1 ARG 309 HB3 -0.07 -0.07 0.02 -0.04 1.80 1.63 2fbwN1 ARG 309 HG2 -0.04 -0.05 0.09 -0.04 1.67 1.63 2fbwN1 ARG 309 HG3 -0.03 0.31 0.09 -0.04 1.67 2.01 2fbwN1 ARG 309 HD2 -0.11 -0.03 0.01 -0.04 3.22 3.05 2fbwN1 ARG 309 HD3 -0.09 -0.05 -0.02 -0.04 3.22 3.02 2fbwN1 GLU 310 H -0.06 0.57 -0.25 -0.55 8.60 8.32 2fbwN1 GLU 310 HA -0.05 0.10 0.67 -0.75 4.29 4.27 2fbwN1 GLU 310 HB2 -0.04 0.03 0.05 -0.04 2.09 2.08 2fbwN1 GLU 310 HB3 -0.03 -0.07 0.17 -0.04 1.99 2.02 2fbwN1 GLU 310 HG2 -0.04 -0.01 -0.02 -0.04 2.34 2.23 2fbwN1 GLU 310 HG3 -0.04 0.10 0.00 -0.04 2.34 2.36 2fbwN1 GLY 311 H -0.06 0.46 -0.50 -0.55 8.43 7.77 2fbwN1 GLY 311 HA2 -0.06 0.08 0.35 -0.51 4.01 3.87 2fbwN1 GLY 311 HA3 -0.05 0.03 0.42 -0.51 4.01 3.90 2fbwN1 ARG 312 H -0.10 0.66 -0.01 -0.55 8.46 8.46 2fbwN1 ARG 312 HA -0.08 0.22 0.88 -0.75 4.34 4.61 2fbwN1 ARG 312 HB2 -0.13 0.08 0.09 -0.04 1.90 1.90 2fbwN1 ARG 312 HB3 -0.09 -0.31 0.22 -0.04 1.80 1.59 2fbwN1 ARG 312 HG2 -0.04 0.03 -0.06 -0.04 1.67 1.55 2fbwN1 ARG 312 HG3 -0.05 0.19 -0.16 -0.04 1.67 1.61 2fbwN1 ARG 312 HD2 -0.01 -0.17 0.02 -0.04 3.22 3.01 2fbwN1 ARG 312 HD3 -0.02 0.03 -0.01 -0.04 3.22 3.18 2fbwN1 GLY 313 H -0.13 0.20 -0.25 -0.55 8.43 7.71 2fbwN1 GLY 313 HA2 -0.22 0.06 0.46 -0.51 4.01 3.80 2fbwN1 GLY 313 HA3 -0.20 0.20 0.14 -0.51 4.01 3.64 2fbwN1 CYS 314 H -0.51 0.78 0.33 -0.55 8.50 8.55 2fbwN1 CYS 314 HA -0.27 0.22 0.78 -0.75 4.58 4.56 2fbwN1 CYS 314 HB2 -0.94 -0.01 -0.17 -0.04 2.97 1.81 2fbwN1 CYS 314 HB3 -0.56 -0.06 0.04 -0.04 2.97 2.35 2fbwN1 GLY 315 H -0.15 0.13 0.10 -0.55 8.43 7.97 2fbwN1 GLY 315 HA2 0.02 0.10 0.36 -0.51 4.01 3.97 2fbwN1 GLY 315 HA3 -0.17 0.09 0.57 -0.51 4.01 3.99 2fbwN1 PRO 316 HA -0.01 0.12 0.45 -0.51 4.44 4.49 2fbwN1 PRO 316 HB2 0.03 0.06 0.01 -0.04 2.28 2.34 2fbwN1 PRO 316 HB3 0.03 0.03 0.12 -0.04 2.02 2.16 2fbwN1 PRO 316 HG2 0.08 0.02 0.06 -0.04 2.03 2.15 2fbwN1 PRO 316 HG3 0.08 0.07 0.07 -0.04 2.03 2.21 2fbwN1 PRO 316 HD2 0.09 0.09 0.23 -0.04 3.68 4.04 2fbwN1 PRO 316 HD3 0.06 0.14 0.16 -0.04 3.65 3.97 2fbwN1 GLU 317 H -0.04 0.02 -0.38 -0.55 8.60 7.65 2fbwN1 GLU 317 HA -0.01 0.25 0.84 -0.75 4.29 4.62 2fbwN1 GLU 317 HB2 0.05 -0.06 -0.03 -0.04 2.09 2.00 2fbwN1 GLU 317 HB3 0.04 0.05 0.08 -0.04 1.99 2.12 2fbwN1 GLU 317 HG2 0.08 -0.08 -0.12 -0.04 2.34 2.18 2fbwN1 GLU 317 HG3 0.10 0.01 -0.04 -0.04 2.34 2.37 2fbwN1 LYS 318 H -0.15 0.38 -0.51 -0.55 8.42 7.59 2fbwN1 LYS 318 HA -0.26 0.07 -0.25 -0.75 4.32 3.12 2fbwN1 LYS 318 HB2 -0.08 0.07 -0.20 -0.04 1.87 1.62 2fbwN1 LYS 318 HB3 -0.12 -0.07 0.08 -0.04 1.79 1.64 2fbwN1 LYS 318 HG2 -0.11 0.09 -0.09 -0.04 1.46 1.31 2fbwN1 LYS 318 HG3 -0.08 -0.02 -0.25 -0.04 1.46 1.08 2fbwN1 LYS 318 HD2 -0.05 -0.06 -0.02 -0.04 1.69 1.51 2fbwN1 LYS 318 HD3 -0.05 -0.05 -0.05 -0.04 1.68 1.49 2fbwN1 LYS 318 HE2 -0.05 -0.04 0.11 -0.04 2.99 2.97 2fbwN1 LYS 318 HE3 -0.08 -0.15 0.01 -0.04 2.99 2.73 2fbwN1 ASP 319 H -0.31 0.06 -0.23 -0.55 8.40 7.37 2fbwN1 ASP 319 HA -0.08 0.24 0.93 -0.75 4.63 4.97 2fbwN1 ASP 319 HB2 0.10 -0.03 0.12 -0.04 2.71 2.85 2fbwN1 ASP 319 HB3 0.02 0.17 -0.11 -0.04 2.70 2.73 2fbwN1 HIS 320 H -0.56 0.22 0.13 -0.55 8.41 7.65 2fbwN1 HIS 320 HA -0.08 0.19 0.72 -0.75 4.63 4.71 2fbwN1 HIS 320 HB2 -0.09 0.24 0.13 -0.04 3.26 3.51 2fbwN1 HIS 320 HB3 -0.18 0.02 -0.23 -0.04 3.20 2.77 2fbwN1 HIS 320 HD2 -0.37 0.20 -0.22 -0.04 6.97 6.54 2fbwN1 HIS 320 HE1 -0.45 -0.07 -0.06 -0.04 7.75 7.12 2fbwN1 VAL 321 H 0.08 0.69 0.38 -0.55 8.24 8.84 2fbwN1 VAL 321 HA -0.24 0.12 0.91 -0.75 4.13 4.16 2fbwN1 VAL 321 HB 0.13 0.15 0.27 -0.04 2.12 2.62 2fbwN1 VAL 321 HG13 -0.17 -0.01 -0.13 -0.04 0.97 0.63 2fbwN1 VAL 321 HG23 0.16 -0.01 -0.10 -0.04 0.95 0.96 2fbwN1 TYR 322 H 0.14 0.62 0.34 -0.55 8.29 8.85 2fbwN1 TYR 322 HA 0.11 0.35 1.24 -0.75 4.56 5.51 2fbwN1 TYR 322 HB2 0.09 0.02 0.04 -0.04 3.06 3.17 2fbwN1 TYR 322 HB3 0.08 -0.04 -0.18 -0.04 2.98 2.81 2fbwN1 TYR 322 HD2 0.09 0.08 -0.27 -0.04 7.15 7.01 2fbwN1 TYR 322 HE2 0.09 0.02 -0.12 -0.04 6.85 6.80 2fbwN1 LEU 323 H 0.22 0.72 0.29 -0.55 8.37 9.06 2fbwN1 LEU 323 HA 0.08 0.18 0.80 -0.75 4.35 4.65 2fbwN1 LEU 323 HB2 0.08 0.01 -0.08 -0.04 1.64 1.61 2fbwN1 LEU 323 HB3 0.09 -0.01 0.16 -0.04 1.64 1.84 2fbwN1 LEU 323 HG 0.04 -0.05 -0.31 -0.04 1.64 1.28 2fbwN1 LEU 323 HD13 0.02 0.02 -0.24 -0.04 0.93 0.69 2fbwN1 LEU 323 HD23 0.03 -0.01 -0.14 -0.04 0.89 0.73 2fbwN1 GLN 324 H 0.03 0.85 0.29 -0.55 8.47 9.10 2fbwN1 GLN 324 HA -0.03 0.10 0.95 -0.75 4.36 4.62 2fbwN1 GLN 324 HB2 -0.04 0.03 -0.07 -0.04 2.15 2.04 2fbwN1 GLN 324 HB3 -0.04 0.06 0.12 -0.04 2.02 2.12 2fbwN1 GLN 324 HG2 -0.08 -0.07 -0.42 -0.04 2.40 1.78 2fbwN1 GLN 324 HG3 -0.72 -0.04 -0.10 -0.04 2.39 1.48 2fbwN1 GLN 324 HE21 -0.20 0.06 -0.07 -0.04 6.97 6.72 2fbwN1 GLN 324 HE22 -0.29 -0.07 -0.13 -0.04 7.69 7.16 2fbwN1 LEU 325 H -0.06 0.21 0.16 -0.55 8.37 8.13 2fbwN1 LEU 325 HA -0.13 0.21 0.86 -0.75 4.35 4.54 2fbwN1 LEU 325 HB2 -0.02 0.15 -0.02 -0.04 1.64 1.70 2fbwN1 LEU 325 HB3 -0.06 -0.01 0.03 -0.04 1.64 1.55 2fbwN1 LEU 325 HG 0.00 -0.00 -0.27 -0.04 1.64 1.33 2fbwN1 LEU 325 HD13 0.01 -0.01 -0.09 -0.04 0.93 0.79 2fbwN1 LEU 325 HD23 -0.01 0.02 -0.21 -0.04 0.89 0.65 2fbwN1 HIS 326 H -0.33 0.01 -0.02 -0.55 8.41 7.52 2fbwN1 HIS 326 HA -0.02 0.18 0.30 -0.75 4.63 4.33 2fbwN1 HIS 326 HB2 0.01 0.24 -0.11 -0.04 3.26 3.36 2fbwN1 HIS 326 HB3 0.00 -0.00 -0.43 -0.04 3.20 2.73 2fbwN1 HIS 326 HD2 0.06 0.03 -0.33 -0.04 6.97 6.69 2fbwN1 HIS 326 HE1 -0.02 -0.02 -0.08 -0.04 7.75 7.58 2fbwN1 HIS 327 H 0.03 0.00 -0.49 -0.55 8.41 7.41 2fbwN1 HIS 327 HA 0.07 0.12 0.48 -0.75 4.63 4.54 2fbwN1 HIS 327 HB2 0.00 0.00 0.06 -0.04 3.26 3.29 2fbwN1 HIS 327 HB3 -0.01 -0.04 -0.01 -0.04 3.20 3.10 2fbwN1 HIS 327 HD2 -0.02 -0.03 -0.14 -0.04 6.97 6.74 2fbwN1 HIS 327 HE1 -0.09 0.13 0.05 -0.04 7.75 7.80 2fbwN1 LEU 328 H -0.29 0.41 -0.43 -0.55 8.37 7.52 2fbwN1 LEU 328 HA -0.14 0.15 0.70 -0.75 4.35 4.30 2fbwN1 LEU 328 HB2 -0.16 0.03 -0.03 -0.04 1.64 1.44 2fbwN1 LEU 328 HB3 -0.12 -0.04 0.00 -0.04 1.64 1.44 2fbwN1 LEU 328 HG -0.74 -0.08 -0.15 -0.04 1.64 0.63 2fbwN1 LEU 328 HD13 -0.12 -0.03 -0.18 -0.04 0.93 0.56 2fbwN1 LEU 328 HD23 -0.17 0.03 -0.10 -0.04 0.89 0.61 2fbwN1 PRO 329 HA -0.01 0.19 0.44 -0.51 4.44 4.56 2fbwN1 PRO 329 HB2 -0.02 -0.21 0.13 -0.04 2.28 2.14 2fbwN1 PRO 329 HB3 -0.01 0.06 0.13 -0.04 2.02 2.16 2fbwN1 PRO 329 HG2 -0.01 0.03 0.11 -0.04 2.03 2.13 2fbwN1 PRO 329 HG3 -0.00 0.12 0.10 -0.04 2.03 2.21 2fbwN1 PRO 329 HD2 -0.04 0.03 0.20 -0.04 3.68 3.84 2fbwN1 PRO 329 HD3 -0.03 0.24 0.26 -0.04 3.65 4.07 2fbwN1 PRO 330 HA -0.01 0.06 0.39 -0.51 4.44 4.37 2fbwN1 PRO 330 HB2 -0.00 0.01 0.01 -0.04 2.28 2.26 2fbwN1 PRO 330 HB3 -0.00 0.06 0.13 -0.04 2.02 2.17 2fbwN1 PRO 330 HG2 -0.00 -0.02 0.10 -0.04 2.03 2.07 2fbwN1 PRO 330 HG3 0.00 0.10 0.10 -0.04 2.03 2.19 2fbwN1 PRO 330 HD2 -0.00 0.06 0.25 -0.04 3.68 3.95 2fbwN1 PRO 330 HD3 0.00 0.34 0.22 -0.04 3.65 4.17 2fbwN1 GLN 331 H -0.01 0.13 -0.36 -0.55 8.47 7.69 2fbwN1 GLN 331 HA -0.01 0.11 0.42 -0.75 4.36 4.12 2fbwN1 GLN 331 HB2 -0.01 0.02 0.06 -0.04 2.15 2.18 2fbwN1 GLN 331 HB3 -0.02 0.02 0.01 -0.04 2.02 1.99 2fbwN1 GLN 331 HG2 -0.02 0.03 -0.01 -0.04 2.40 2.36 2fbwN1 GLN 331 HG3 -0.02 0.01 -0.11 -0.04 2.39 2.22 2fbwN1 GLN 331 HE21 -0.02 0.04 -0.02 -0.04 6.97 6.93 2fbwN1 GLN 331 HE22 -0.02 -0.04 0.05 -0.04 7.69 7.64 2fbwN1 GLN 332 H -0.02 0.30 -0.19 -0.55 8.47 8.02 2fbwN1 GLN 332 HA -0.03 0.06 0.45 -0.75 4.36 4.08 2fbwN1 GLN 332 HB2 -0.02 -0.02 0.12 -0.04 2.15 2.18 2fbwN1 GLN 332 HB3 -0.03 0.14 0.05 -0.04 2.02 2.14 2fbwN1 GLN 332 HG2 -0.01 -0.09 -0.04 -0.04 2.40 2.22 2fbwN1 GLN 332 HG3 -0.02 -0.01 0.04 -0.04 2.39 2.36 2fbwN1 GLN 332 HE21 0.02 0.32 0.11 -0.04 6.97 7.39 2fbwN1 GLN 332 HE22 0.04 -0.11 0.03 -0.04 7.69 7.61 2fbwN1 LEU 333 H -0.02 0.39 -0.24 -0.55 8.37 7.96 2fbwN1 LEU 333 HA -0.01 0.01 0.29 -0.75 4.35 3.88 2fbwN1 LEU 333 HB2 -0.01 0.11 0.04 -0.04 1.64 1.73 2fbwN1 LEU 333 HB3 -0.01 -0.06 -0.09 -0.04 1.64 1.44 2fbwN1 LEU 333 HG -0.03 0.14 -0.22 -0.04 1.64 1.48 2fbwN1 LEU 333 HD13 -0.01 0.02 -0.23 -0.04 0.93 0.67 2fbwN1 LEU 333 HD23 -0.04 -0.00 -0.12 -0.04 0.89 0.69 2fbwN1 ALA 334 H -0.01 0.48 -0.26 -0.55 8.40 8.06 2fbwN1 ALA 334 HA -0.01 -0.00 0.32 -0.75 4.34 3.90 2fbwN1 ALA 334 HB3 -0.01 0.01 0.06 -0.04 1.41 1.44 2fbwN1 THR 335 H -0.02 0.35 -0.30 -0.55 8.28 7.75 2fbwN1 THR 335 HA -0.03 0.12 0.73 -0.75 4.39 4.45 2fbwN1 THR 335 HB -0.06 0.00 0.15 -0.04 4.32 4.38 2fbwN1 THR 335 HG23 -0.09 -0.02 -0.04 -0.04 1.22 1.04 2fbwN1 ARG 336 H -0.02 0.81 0.06 -0.55 8.46 8.76 2fbwN1 ARG 336 HA -0.01 0.13 0.89 -0.75 4.34 4.60 2fbwN1 ARG 336 HB2 0.02 0.06 -0.01 -0.04 1.90 1.93 2fbwN1 ARG 336 HB3 0.07 -0.07 -0.01 -0.04 1.80 1.75 2fbwN1 ARG 336 HG2 -0.06 0.03 0.06 -0.04 1.67 1.66 2fbwN1 ARG 336 HG3 0.00 -0.00 -0.01 -0.04 1.67 1.62 2fbwN1 ARG 336 HD2 -0.14 -0.03 -0.04 -0.04 3.22 2.96 2fbwN1 ARG 336 HD3 -0.19 0.03 -0.26 -0.04 3.22 2.76 2fbwN1 LEU 337 H 0.01 0.54 -0.04 -0.55 8.37 8.33 2fbwN1 LEU 337 HA 0.04 0.04 0.84 -0.75 4.35 4.51 2fbwN1 LEU 337 HB2 0.01 0.11 0.12 -0.04 1.64 1.84 2fbwN1 LEU 337 HB3 0.02 -0.18 0.14 -0.04 1.64 1.59 2fbwN1 LEU 337 HG 0.04 0.01 -0.45 -0.04 1.64 1.20 2fbwN1 LEU 337 HD13 0.01 0.01 -0.10 -0.04 0.93 0.81 2fbwN1 LEU 337 HD23 0.06 0.02 -0.23 -0.04 0.89 0.70 2fbwN1 PRO 338 HA 0.00 0.08 0.44 -0.51 4.44 4.45 2fbwN1 PRO 338 HB2 -0.01 -0.01 0.01 -0.04 2.28 2.24 2fbwN1 PRO 338 HB3 -0.00 0.34 0.17 -0.04 2.02 2.48 2fbwN1 PRO 338 HG2 0.00 -0.17 0.04 -0.04 2.03 1.86 2fbwN1 PRO 338 HG3 -0.00 0.17 0.01 -0.04 2.03 2.16 2fbwN1 PRO 338 HD2 0.02 0.02 -0.42 -0.04 3.68 3.26 2fbwN1 PRO 338 HD3 0.00 0.24 -0.55 -0.04 3.65 3.31 2fbwN1 GLY 339 H 0.01 0.10 -0.18 -0.55 8.43 7.81 2fbwN1 GLY 339 HA2 0.00 0.12 0.39 -0.51 4.01 4.00 2fbwN1 GLY 339 HA3 0.01 0.09 0.27 -0.51 4.01 3.87 2fbwN1 ILE 340 H 0.03 0.13 -0.10 -0.55 8.25 7.75 2fbwN1 ILE 340 HA 0.04 0.10 0.56 -0.75 4.18 4.12 2fbwN1 ILE 340 HB 0.03 0.03 0.10 -0.04 1.89 2.02 2fbwN1 ILE 340 HG12 0.03 -0.08 0.04 -0.04 1.49 1.44 2fbwN1 ILE 340 HG13 0.03 0.09 0.09 -0.04 1.21 1.38 2fbwN1 ILE 340 HG23 0.02 -0.02 0.13 -0.04 0.93 1.02 2fbwN1 ILE 340 HD13 0.02 0.02 -0.20 -0.04 0.88 0.68 2fbwN1 SER 341 H 0.02 0.35 -0.41 -0.55 8.46 7.88 2fbwN1 SER 341 HA 0.02 -0.02 0.39 -0.75 4.49 4.13 2fbwN1 SER 341 HB2 0.01 0.20 0.16 -0.04 3.95 4.28 2fbwN1 SER 341 HB3 0.01 -0.06 0.01 -0.04 3.93 3.85 2fbwN1 GLU 342 H 0.02 0.42 -0.17 -0.55 8.60 8.32 2fbwN1 GLU 342 HA 0.01 0.06 0.47 -0.75 4.29 4.08 2fbwN1 GLU 342 HB2 0.01 0.07 0.15 -0.04 2.09 2.27 2fbwN1 GLU 342 HB3 0.02 0.09 0.15 -0.04 1.99 2.22 2fbwN1 GLU 342 HG2 -0.00 0.00 0.01 -0.04 2.34 2.32 2fbwN1 GLU 342 HG3 0.01 -0.03 -0.07 -0.04 2.34 2.21 2fbwN1 THR 343 H 0.06 0.39 -0.05 -0.55 8.28 8.13 2fbwN1 THR 343 HA 0.21 0.03 0.44 -0.75 4.39 4.31 2fbwN1 THR 343 HB 0.08 -0.00 0.21 -0.04 4.32 4.56 2fbwN1 THR 343 HG23 0.14 0.01 -0.11 -0.04 1.22 1.22 2fbwN1 ALA 344 H 0.07 0.70 -0.10 -0.55 8.40 8.53 2fbwN1 ALA 344 HA 0.10 -0.00 0.36 -0.75 4.34 4.05 2fbwN1 ALA 344 HB3 0.05 0.02 0.05 -0.04 1.41 1.49 2fbwN1 MET 345 H 0.04 0.31 -0.31 -0.55 8.47 7.96 2fbwN1 MET 345 HA 0.02 0.01 0.46 -0.75 4.52 4.25 2fbwN1 MET 345 HB2 0.01 0.05 0.15 -0.04 2.15 2.32 2fbwN1 MET 345 HB3 -0.00 0.10 0.21 -0.04 2.03 2.30 2fbwN1 MET 345 HG2 -0.01 -0.05 -0.02 -0.04 2.63 2.50 2fbwN1 MET 345 HG3 -0.02 0.00 -0.19 -0.04 2.56 2.31 2fbwN1 MET 345 HE3 0.00 0.03 -0.23 -0.04 2.10 1.86 2fbwN1 ILE 346 H -0.01 0.63 0.05 -0.55 8.25 8.38 2fbwN1 ILE 346 HA -0.15 0.04 0.43 -0.75 4.18 3.74 2fbwN1 ILE 346 HB -0.19 -0.00 0.18 -0.04 1.89 1.83 2fbwN1 ILE 346 HG12 -0.12 -0.04 0.05 -0.04 1.49 1.34 2fbwN1 ILE 346 HG13 -0.05 0.25 0.14 -0.04 1.21 1.50 2fbwN1 ILE 346 HG23 -0.74 -0.02 -0.09 -0.04 0.93 0.04 2fbwN1 ILE 346 HD13 -0.04 -0.04 -0.04 -0.04 0.88 0.72 2fbwN1 PHE 347 H 0.14 0.70 0.00 -0.55 8.34 8.63 2fbwN1 PHE 347 HA 0.01 0.27 1.09 -0.75 4.62 5.23 2fbwN1 PHE 347 HB2 0.01 0.06 0.06 -0.04 3.15 3.24 2fbwN1 PHE 347 HB3 -0.00 -0.06 0.14 -0.04 3.06 3.10 2fbwN1 PHE 347 HD2 0.00 0.06 0.08 -0.04 7.28 7.37 2fbwN1 PHE 347 HE2 0.01 -0.01 0.01 -0.04 7.38 7.34 2fbwN1 PHE 347 HZ 0.01 -0.02 -0.01 -0.04 7.32 7.27 2fbwN1 ALA 348 H 0.08 0.28 -0.04 -0.55 8.40 8.18 2fbwN1 ALA 348 HA 0.09 0.17 0.80 -0.75 4.34 4.65 2fbwN1 ALA 348 HB3 0.10 0.01 0.10 -0.04 1.41 1.57 2fbwN1 GLY 349 H 0.02 0.23 0.03 -0.55 8.43 8.17 2fbwN1 GLY 349 HA2 0.00 0.14 0.41 -0.51 4.01 4.05 2fbwN1 GLY 349 HA3 0.02 0.00 0.43 -0.51 4.01 3.95 2fbwN1 VAL 350 H 0.04 0.33 -0.26 -0.55 8.24 7.80 2fbwN1 VAL 350 HA 0.02 0.16 0.73 -0.75 4.13 4.29 2fbwN1 VAL 350 HB 0.05 -0.07 -0.13 -0.04 2.12 1.93 2fbwN1 VAL 350 HG13 0.03 -0.07 -0.55 -0.04 0.97 0.34 2fbwN1 VAL 350 HG23 0.05 0.05 -0.12 -0.04 0.95 0.89 2fbwN1 ASP 351 H 0.01 0.24 0.08 -0.55 8.40 8.19 2fbwN1 ASP 351 HA 0.01 0.15 0.69 -0.75 4.63 4.73 2fbwN1 ASP 351 HB2 0.00 0.11 0.03 -0.04 2.71 2.81 2fbwN1 ASP 351 HB3 0.00 0.00 0.20 -0.04 2.70 2.87 2fbwN1 VAL 352 H 0.02 0.25 0.05 -0.55 8.24 8.02 2fbwN1 VAL 352 HA 0.05 0.28 0.24 -0.75 4.13 3.95 2fbwN1 VAL 352 HB 0.02 -0.04 0.01 -0.04 2.12 2.08 2fbwN1 VAL 352 HG13 0.03 0.03 -0.04 -0.04 0.97 0.95 2fbwN1 VAL 352 HG23 0.01 0.01 -0.10 -0.04 0.95 0.83 2fbwN1 THR 353 H 0.02 0.04 -0.40 -0.55 8.28 7.39 2fbwN1 THR 353 HA 0.05 0.17 0.51 -0.75 4.39 4.37 2fbwN1 THR 353 HB 0.02 0.07 0.12 -0.04 4.32 4.48 2fbwN1 THR 353 HG23 0.01 -0.01 -0.00 -0.04 1.22 1.17 2fbwN1 LYS 354 H 0.03 0.44 -0.17 -0.55 8.42 8.16 2fbwN1 LYS 354 HA -0.08 0.25 1.06 -0.75 4.32 4.80 2fbwN1 LYS 354 HB2 -0.02 0.01 0.09 -0.04 1.87 1.90 2fbwN1 LYS 354 HB3 -0.06 -0.00 0.03 -0.04 1.79 1.71 2fbwN1 LYS 354 HG2 -0.03 0.06 -0.09 -0.04 1.46 1.36 2fbwN1 LYS 354 HG3 -0.01 -0.14 -0.32 -0.04 1.46 0.95 2fbwN1 LYS 354 HD2 -0.01 -0.04 -0.02 -0.04 1.69 1.59 2fbwN1 LYS 354 HD3 -0.02 0.02 -0.01 -0.04 1.68 1.62 2fbwN1 LYS 354 HE2 -0.01 -0.00 -0.02 -0.04 2.99 2.92 2fbwN1 LYS 354 HE3 -0.02 0.02 -0.02 -0.04 2.99 2.93 2fbwN1 GLU 355 H 0.04 0.43 0.19 -0.55 8.60 8.71 2fbwN1 GLU 355 HA -0.02 0.20 0.88 -0.75 4.29 4.60 2fbwN1 GLU 355 HB2 -0.01 -0.09 -0.01 -0.04 2.09 1.93 2fbwN1 GLU 355 HB3 -0.06 0.10 0.06 -0.04 1.99 2.05 2fbwN1 GLU 355 HG2 -0.05 -0.13 -0.44 -0.04 2.34 1.68 2fbwN1 GLU 355 HG3 -0.03 0.00 -0.05 -0.04 2.34 2.22 2fbwN1 PRO 356 HA 0.03 0.07 0.66 -0.51 4.44 4.69 2fbwN1 PRO 356 HB2 -0.05 -0.01 -0.16 -0.04 2.28 2.03 2fbwN1 PRO 356 HB3 -0.03 -0.07 -0.10 -0.04 2.02 1.78 2fbwN1 PRO 356 HG2 -0.96 0.04 -0.06 -0.04 2.03 1.01 2fbwN1 PRO 356 HG3 -0.48 0.04 -0.03 -0.04 2.03 1.52 2fbwN1 PRO 356 HD2 -0.18 0.12 0.17 -0.04 3.68 3.75 2fbwN1 PRO 356 HD3 0.02 0.14 0.14 -0.04 3.65 3.90 2fbwN1 ILE 357 H 0.07 0.51 0.33 -0.55 8.25 8.61 2fbwN1 ILE 357 HA 0.09 0.21 0.72 -0.75 4.18 4.45 2fbwN1 ILE 357 HB 0.08 -0.09 0.08 -0.04 1.89 1.92 2fbwN1 ILE 357 HG12 0.06 0.05 -0.07 -0.04 1.49 1.48 2fbwN1 ILE 357 HG13 0.05 0.00 0.05 -0.04 1.21 1.28 2fbwN1 ILE 357 HG23 0.07 0.03 -0.12 -0.04 0.93 0.87 2fbwN1 ILE 357 HD13 0.04 -0.02 -0.06 -0.04 0.88 0.80 2fbwN1 PRO 358 HA 0.23 0.25 0.72 -0.51 4.44 5.13 2fbwN1 PRO 358 HB2 -0.54 -0.01 0.02 -0.04 2.28 1.71 2fbwN1 PRO 358 HB3 0.03 0.02 0.05 -0.04 2.02 2.08 2fbwN1 PRO 358 HG2 0.07 -0.06 0.25 -0.04 2.03 2.25 2fbwN1 PRO 358 HG3 0.08 0.11 0.13 -0.04 2.03 2.32 2fbwN1 PRO 358 HD2 0.10 0.04 0.27 -0.04 3.68 4.04 2fbwN1 PRO 358 HD3 0.14 0.25 0.17 -0.04 3.65 4.17 2fbwN1 VAL 359 H 0.12 0.71 0.39 -0.55 8.24 8.90 2fbwN1 VAL 359 HA 0.08 0.21 0.93 -0.75 4.13 4.60 2fbwN1 VAL 359 HB 0.08 -0.03 -0.07 -0.04 2.12 2.06 2fbwN1 VAL 359 HG13 0.08 -0.01 -0.48 -0.04 0.97 0.51 2fbwN1 VAL 359 HG23 0.11 -0.00 -0.26 -0.04 0.95 0.75 2fbwN1 LEU 360 H 0.09 0.47 0.24 -0.55 8.37 8.62 2fbwN1 LEU 360 HA 0.08 0.06 0.69 -0.75 4.35 4.42 2fbwN1 LEU 360 HB2 0.19 0.04 -0.12 -0.04 1.64 1.71 2fbwN1 LEU 360 HB3 0.16 -0.07 -0.16 -0.04 1.64 1.53 2fbwN1 LEU 360 HG 0.11 0.20 -0.14 -0.04 1.64 1.76 2fbwN1 LEU 360 HD13 0.09 0.07 0.14 -0.04 0.93 1.19 2fbwN1 LEU 360 HD23 0.22 -0.03 -0.06 -0.04 0.89 0.98 2fbwN1 PRO 361 HA 0.08 0.22 0.47 -0.51 4.44 4.70 2fbwN1 PRO 361 HB2 -0.01 0.00 0.04 -0.04 2.28 2.28 2fbwN1 PRO 361 HB3 0.02 -0.05 -0.05 -0.04 2.02 1.90 2fbwN1 PRO 361 HG2 -0.03 0.11 0.10 -0.04 2.03 2.17 2fbwN1 PRO 361 HG3 0.01 -0.02 0.11 -0.04 2.03 2.08 2fbwN1 PRO 361 HD2 0.03 0.13 0.18 -0.04 3.68 3.98 2fbwN1 PRO 361 HD3 0.04 0.08 0.20 -0.04 3.65 3.93 2fbwN1 THR 362 H 0.13 0.53 0.23 -0.55 8.28 8.62 2fbwN1 THR 362 HA 0.12 0.18 0.82 -0.75 4.39 4.76 2fbwN1 THR 362 HB 0.03 -0.15 -0.02 -0.04 4.32 4.13 2fbwN1 THR 362 HG23 0.00 0.06 -0.25 -0.04 1.22 1.00 2fbwN1 VAL 363 H -0.01 0.33 0.18 -0.55 8.24 8.19 2fbwN1 VAL 363 HA -0.55 0.07 0.45 -0.75 4.13 3.35 2fbwN1 VAL 363 HB -0.24 0.25 0.30 -0.04 2.12 2.39 2fbwN1 VAL 363 HG13 -0.44 -0.04 -0.09 -0.04 0.97 0.36 2fbwN1 VAL 363 HG23 -1.22 0.02 0.03 -0.04 0.95 -0.26 2fbwN1 HIS 364 H -0.16 0.49 0.45 -0.55 8.41 8.65 2fbwN1 HIS 364 HA -0.08 0.01 1.03 -0.75 4.63 4.84 2fbwN1 HIS 364 HB2 0.04 0.14 -0.08 -0.04 3.26 3.32 2fbwN1 HIS 364 HB3 0.04 0.09 0.08 -0.04 3.20 3.37 2fbwN1 HIS 364 HD2 0.12 0.01 -0.17 -0.04 6.97 6.88 2fbwN1 HIS 364 HE1 0.00 -0.02 -0.00 -0.04 7.75 7.69 2fbwN1 TYR 365 H -0.05 0.44 0.36 -0.55 8.29 8.49 2fbwN1 TYR 365 HA -0.24 0.03 0.78 -0.75 4.56 4.37 2fbwN1 TYR 365 HB2 -0.25 0.06 -0.27 -0.04 3.06 2.56 2fbwN1 TYR 365 HB3 -0.01 -0.00 -0.07 -0.04 2.98 2.85 2fbwN1 TYR 365 HD2 -0.11 -0.04 -0.17 -0.04 7.15 6.79 2fbwN1 TYR 365 HE2 -0.07 -0.06 -0.15 -0.04 6.85 6.54 2fbwN1 ASN 366 H -1.03 0.09 0.15 -0.55 8.53 7.20 2fbwN1 ASN 366 HA -0.32 0.22 1.11 -0.75 4.76 5.02 2fbwN1 ASN 366 HB2 -0.48 -0.04 0.17 -0.04 2.88 2.49 2fbwN1 ASN 366 HB3 -0.29 0.20 -0.04 -0.04 2.79 2.63 2fbwN1 ASN 366 HD21 -0.96 0.04 -0.22 -0.04 7.03 5.85 2fbwN1 ASN 366 HD22 -0.52 0.20 -0.06 -0.04 7.74 7.33 2fbwN1 MET 367 H 0.01 0.49 0.26 -0.55 8.47 8.67 2fbwN1 MET 367 HA 0.26 -0.12 0.37 -0.75 4.52 4.27 2fbwN1 MET 367 HB2 0.19 0.23 0.12 -0.04 2.15 2.66 2fbwN1 MET 367 HB3 0.12 0.18 -0.09 -0.04 2.03 2.20 2fbwN1 MET 367 HG2 0.11 0.09 -0.46 -0.04 2.63 2.33 2fbwN1 MET 367 HG3 0.22 -0.16 -0.23 -0.04 2.56 2.34 2fbwN1 MET 367 HE3 0.16 0.06 -0.40 -0.04 2.10 1.88 2fbwN1 GLY 368 H 0.09 0.11 -0.07 -0.55 8.43 8.00 2fbwN1 GLY 368 HA2 0.06 0.04 0.44 -0.51 4.01 4.04 2fbwN1 GLY 368 HA3 0.11 0.01 -0.02 -0.51 4.01 3.60 2fbwN1 GLY 369 H 0.01 0.47 0.17 -0.55 8.43 8.53 2fbwN1 GLY 369 HA2 0.02 -0.07 0.20 -0.51 4.01 3.66 2fbwN1 GLY 369 HA3 -0.01 0.22 0.11 -0.51 4.01 3.82 2fbwN1 ILE 370 H -0.05 0.68 0.35 -0.55 8.25 8.68 2fbwN1 ILE 370 HA -0.08 0.21 0.69 -0.75 4.18 4.25 2fbwN1 ILE 370 HB -0.06 -0.13 0.06 -0.04 1.89 1.71 2fbwN1 ILE 370 HG12 -0.07 0.09 0.00 -0.04 1.49 1.47 2fbwN1 ILE 370 HG13 -0.06 -0.07 0.03 -0.04 1.21 1.07 2fbwN1 ILE 370 HG23 -0.08 0.07 -0.10 -0.04 0.93 0.78 2fbwN1 ILE 370 HD13 -0.05 -0.04 -0.20 -0.04 0.88 0.55 2fbwN1 PRO 371 HA -0.13 0.16 0.55 -0.51 4.44 4.51 2fbwN1 PRO 371 HB2 -0.11 0.02 -0.07 -0.04 2.28 2.08 2fbwN1 PRO 371 HB3 -0.14 -0.05 0.01 -0.04 2.02 1.80 2fbwN1 PRO 371 HG2 -0.09 0.25 0.18 -0.04 2.03 2.33 2fbwN1 PRO 371 HG3 -0.11 -0.00 -0.09 -0.04 2.03 1.78 2fbwN1 PRO 371 HD2 -0.10 0.22 0.34 -0.04 3.68 4.10 2fbwN1 PRO 371 HD3 -0.11 -0.01 0.19 -0.04 3.65 3.67 2fbwN1 THR 372 H -0.13 0.45 0.23 -0.55 8.28 8.27 2fbwN1 THR 372 HA -0.12 0.25 0.82 -0.75 4.39 4.59 2fbwN1 THR 372 HB -0.13 -0.06 -0.42 -0.04 4.32 3.67 2fbwN1 THR 372 HG23 -0.11 0.06 -0.38 -0.04 1.22 0.75 2fbwN1 ASN 373 H -0.14 0.35 0.18 -0.55 8.53 8.37 2fbwN1 ASN 373 HA -0.04 0.24 0.82 -0.75 4.76 5.03 2fbwN1 ASN 373 HB2 -0.10 -0.11 0.18 -0.04 2.88 2.82 2fbwN1 ASN 373 HB3 -0.07 0.12 0.05 -0.04 2.79 2.85 2fbwN1 ASN 373 HD21 -0.18 0.05 -0.02 -0.04 7.03 6.84 2fbwN1 ASN 373 HD22 -0.12 0.07 -0.03 -0.04 7.74 7.62 2fbwN1 TYR 374 H 0.07 0.17 0.11 -0.55 8.29 8.09 2fbwN1 TYR 374 HA 0.02 0.11 0.35 -0.75 4.56 4.29 2fbwN1 TYR 374 HB2 0.10 -0.00 0.02 -0.04 3.06 3.14 2fbwN1 TYR 374 HB3 0.04 -0.07 -0.06 -0.04 2.98 2.85 2fbwN1 TYR 374 HD2 -0.18 -0.02 -0.08 -0.04 7.15 6.83 2fbwN1 TYR 374 HE2 -0.11 0.04 -0.06 -0.04 6.85 6.68 2fbwN1 LYS 375 H -0.43 -0.00 -0.51 -0.55 8.42 6.93 2fbwN1 LYS 375 HA -0.33 0.22 0.71 -0.75 4.32 4.16 2fbwN1 LYS 375 HB2 -0.27 -0.07 -0.04 -0.04 1.87 1.45 2fbwN1 LYS 375 HB3 -0.19 0.11 0.07 -0.04 1.79 1.74 2fbwN1 LYS 375 HG2 -0.87 0.03 -0.12 -0.04 1.46 0.46 2fbwN1 LYS 375 HG3 -0.86 -0.10 -0.05 -0.04 1.46 0.41 2fbwN1 LYS 375 HD2 -0.21 0.02 -0.02 -0.04 1.69 1.44 2fbwN1 LYS 375 HD3 -0.18 0.07 -0.01 -0.04 1.68 1.51 2fbwN1 LYS 375 HE2 -0.07 0.07 -0.02 -0.04 2.99 2.93 2fbwN1 LYS 375 HE3 -0.18 -0.04 -0.05 -0.04 2.99 2.68 2fbwN1 GLY 376 H -0.09 0.39 -0.27 -0.55 8.43 7.91 2fbwN1 GLY 376 HA2 -0.01 0.06 0.28 -0.51 4.01 3.82 2fbwN1 GLY 376 HA3 0.12 0.14 0.57 -0.51 4.01 4.33 2fbwN1 GLN 377 H -0.18 -0.09 -0.20 -0.55 8.47 7.46 2fbwN1 GLN 377 HA -0.72 0.19 0.61 -0.75 4.36 3.69 2fbwN1 GLN 377 HB2 -0.24 -0.15 0.05 -0.04 2.15 1.77 2fbwN1 GLN 377 HB3 -0.39 0.17 0.05 -0.04 2.02 1.81 2fbwN1 GLN 377 HG2 -0.59 0.10 -0.08 -0.04 2.40 1.78 2fbwN1 GLN 377 HG3 -0.19 -0.10 -0.16 -0.04 2.39 1.90 2fbwN1 GLN 377 HE21 -0.06 0.02 -0.04 -0.04 6.97 6.85 2fbwN1 GLN 377 HE22 -0.05 0.05 -0.07 -0.04 7.69 7.59 2fbwN1 VAL 378 H -0.32 0.61 0.44 -0.55 8.24 8.42 2fbwN1 VAL 378 HA -0.13 0.21 0.62 -0.75 4.13 4.07 2fbwN1 VAL 378 HB -0.14 0.06 0.09 -0.04 2.12 2.09 2fbwN1 VAL 378 HG13 -0.08 0.02 -0.11 -0.04 0.97 0.76 2fbwN1 VAL 378 HG23 -0.10 -0.05 -0.23 -0.04 0.95 0.53 2fbwN1 ILE 379 H -0.09 0.58 0.24 -0.55 8.25 8.43 2fbwN1 ILE 379 HA -0.07 0.20 1.12 -0.75 4.18 4.68 2fbwN1 ILE 379 HB -0.01 0.06 -0.04 -0.04 1.89 1.85 2fbwN1 ILE 379 HG12 -0.08 -0.05 -0.42 -0.04 1.49 0.90 2fbwN1 ILE 379 HG13 -0.06 0.04 -0.21 -0.04 1.21 0.94 2fbwN1 ILE 379 HG23 -0.07 -0.02 -0.36 -0.04 0.93 0.44 2fbwN1 ILE 379 HD13 -0.02 -0.02 -0.23 -0.04 0.88 0.57 2fbwN1 THR 380 H -0.01 0.74 0.36 -0.55 8.28 8.82 2fbwN1 THR 380 HA 0.02 0.21 0.84 -0.75 4.39 4.70 2fbwN1 THR 380 HB 0.01 0.04 -0.02 -0.04 4.32 4.31 2fbwN1 THR 380 HG23 0.01 0.03 -0.12 -0.04 1.22 1.10 2fbwN1 HIS 381 H 0.15 0.24 0.06 -0.55 8.41 8.32 2fbwN1 HIS 381 HA 0.01 0.27 0.88 -0.75 4.63 5.03 2fbwN1 HIS 381 HB2 0.03 0.00 -0.25 -0.04 3.26 3.00 2fbwN1 HIS 381 HB3 0.06 -0.01 0.03 -0.04 3.20 3.24 2fbwN1 HIS 381 HD2 0.06 -0.01 -0.16 -0.04 6.97 6.81 2fbwN1 HIS 381 HE1 -0.00 0.04 -0.25 -0.04 7.75 7.49 2fbwN1 VAL 382 H -0.18 0.72 0.16 -0.55 8.24 8.39 2fbwN1 VAL 382 HA -0.05 0.16 1.03 -0.75 4.13 4.51 2fbwN1 VAL 382 HB -0.07 0.05 0.03 -0.04 2.12 2.09 2fbwN1 VAL 382 HG13 -0.04 0.00 -0.09 -0.04 0.97 0.81 2fbwN1 VAL 382 HG23 -0.01 0.01 -0.19 -0.04 0.95 0.72 2fbwN1 ASN 383 H -0.06 0.17 0.13 -0.55 8.53 8.22 2fbwN1 ASN 383 HA -0.05 0.02 0.37 -0.75 4.76 4.34 2fbwN1 ASN 383 HB2 -0.07 0.17 -0.08 -0.04 2.88 2.86 2fbwN1 ASN 383 HB3 -0.05 0.01 0.19 -0.04 2.79 2.90 2fbwN1 ASN 383 HD21 -0.03 0.00 -0.02 -0.04 7.03 6.94 2fbwN1 ASN 383 HD22 -0.04 0.04 -0.06 -0.04 7.74 7.64 2fbwN1 GLY 384 H -0.12 0.07 -0.14 -0.55 8.43 7.70 2fbwN1 GLY 384 HA2 -0.04 0.01 0.24 -0.51 4.01 3.71 2fbwN1 GLY 384 HA3 -0.09 0.04 0.28 -0.51 4.01 3.73 2fbwN1 GLU 385 H -0.43 0.32 -0.68 -0.55 8.60 7.26 2fbwN1 GLU 385 HA -0.12 0.13 0.98 -0.75 4.29 4.53 2fbwN1 GLU 385 HB2 -0.07 0.01 0.03 -0.04 2.09 2.03 2fbwN1 GLU 385 HB3 -0.08 0.02 -0.09 -0.04 1.99 1.80 2fbwN1 GLU 385 HG2 -0.11 0.21 0.05 -0.04 2.34 2.45 2fbwN1 GLU 385 HG3 -0.14 -0.07 0.11 -0.04 2.34 2.19 2fbwN1 ASP 386 H 0.05 0.10 0.14 -0.55 8.40 8.14 2fbwN1 ASP 386 HA 0.16 0.20 0.66 -0.75 4.63 4.90 2fbwN1 ASP 386 HB2 0.06 -0.06 0.08 -0.04 2.71 2.75 2fbwN1 ASP 386 HB3 0.06 0.03 -0.04 -0.04 2.70 2.71 2fbwN1 LYS 387 H 0.01 0.74 0.35 -0.55 8.42 8.98 2fbwN1 LYS 387 HA -0.02 0.09 0.88 -0.75 4.32 4.51 2fbwN1 LYS 387 HB2 -0.04 0.03 -0.25 -0.04 1.87 1.57 2fbwN1 LYS 387 HB3 -0.02 -0.06 -0.00 -0.04 1.79 1.66 2fbwN1 LYS 387 HG2 -0.03 0.20 -0.03 -0.04 1.46 1.56 2fbwN1 LYS 387 HG3 -0.03 -0.03 0.06 -0.04 1.46 1.42 2fbwN1 LYS 387 HD2 -0.03 -0.03 -0.04 -0.04 1.69 1.54 2fbwN1 LYS 387 HD3 -0.02 -0.02 -0.06 -0.04 1.68 1.54 2fbwN1 LYS 387 HE2 -0.02 0.09 0.01 -0.04 2.99 3.03 2fbwN1 LYS 387 HE3 -0.02 -0.04 0.00 -0.04 2.99 2.89 2fbwN1 VAL 388 H -0.04 0.09 0.13 -0.55 8.24 7.87 2fbwN1 VAL 388 HA -0.08 0.17 0.56 -0.75 4.13 4.02 2fbwN1 VAL 388 HB -0.06 -0.03 0.10 -0.04 2.12 2.09 2fbwN1 VAL 388 HG13 -0.13 0.01 -0.24 -0.04 0.97 0.57 2fbwN1 VAL 388 HG23 -0.10 -0.01 -0.04 -0.04 0.95 0.77 2fbwN1 VAL 389 H -0.11 0.64 0.30 -0.55 8.24 8.52 2fbwN1 VAL 389 HA -0.05 0.20 0.80 -0.75 4.13 4.33 2fbwN1 VAL 389 HB -0.09 -0.07 0.15 -0.04 2.12 2.07 2fbwN1 VAL 389 HG13 -0.04 0.04 -0.06 -0.04 0.97 0.87 2fbwN1 VAL 389 HG23 -0.05 -0.00 -0.18 -0.04 0.95 0.67 2fbwN1 PRO 390 HA -0.05 -0.05 0.49 -0.51 4.44 4.32 2fbwN1 PRO 390 HB2 -0.01 -0.01 0.14 -0.04 2.28 2.36 2fbwN1 PRO 390 HB3 -0.01 0.03 0.11 -0.04 2.02 2.11 2fbwN1 PRO 390 HG2 -0.02 0.04 0.07 -0.04 2.03 2.08 2fbwN1 PRO 390 HG3 -0.03 -0.01 0.05 -0.04 2.03 2.01 2fbwN1 PRO 390 HD2 -0.03 0.34 0.27 -0.04 3.68 4.22 2fbwN1 PRO 390 HD3 -0.04 0.38 0.29 -0.04 3.65 4.24 2fbwN1 GLY 391 H -0.01 0.08 0.26 -0.55 8.43 8.22 2fbwN1 GLY 391 HA2 0.10 0.02 0.50 -0.51 4.01 4.13 2fbwN1 GLY 391 HA3 0.04 0.29 0.62 -0.51 4.01 4.45 2fbwN1 LEU 392 H -0.12 0.44 -0.05 -0.55 8.37 8.10 2fbwN1 LEU 392 HA 0.04 0.25 1.23 -0.75 4.35 5.11 2fbwN1 LEU 392 HB2 -0.04 0.00 -0.09 -0.04 1.64 1.47 2fbwN1 LEU 392 HB3 -0.09 0.04 0.11 -0.04 1.64 1.66 2fbwN1 LEU 392 HG -0.06 -0.01 -0.16 -0.04 1.64 1.37 2fbwN1 LEU 392 HD13 -0.01 -0.00 0.02 -0.04 0.93 0.89 2fbwN1 LEU 392 HD23 -0.05 -0.01 -0.07 -0.04 0.89 0.72 2fbwN1 TYR 393 H 0.14 0.73 0.50 -0.55 8.29 9.10 2fbwN1 TYR 393 HA -0.07 0.18 1.05 -0.75 4.56 4.96 2fbwN1 TYR 393 HB2 -0.08 -0.05 0.02 -0.04 3.06 2.91 2fbwN1 TYR 393 HB3 -0.07 -0.02 0.04 -0.04 2.98 2.89 2fbwN1 TYR 393 HD2 -0.08 0.02 -0.29 -0.04 7.15 6.76 2fbwN1 TYR 393 HE2 -0.09 0.02 -0.16 -0.04 6.85 6.58 2fbwN1 ALA 394 H 0.03 0.65 0.30 -0.55 8.40 8.83 2fbwN1 ALA 394 HA -0.01 0.17 0.81 -0.75 4.34 4.56 2fbwN1 ALA 394 HB3 -0.05 0.01 -0.11 -0.04 1.41 1.21 2fbwN1 CYS 395 H -0.01 0.57 0.30 -0.55 8.50 8.82 2fbwN1 CYS 395 HA -0.01 0.14 0.53 -0.75 4.58 4.48 2fbwN1 CYS 395 HB2 0.12 -0.13 -0.15 -0.04 2.97 2.77 2fbwN1 CYS 395 HB3 0.09 0.25 -0.22 -0.04 2.97 3.05 2fbwN1 GLY 396 H 0.07 0.21 0.04 -0.55 8.43 8.21 2fbwN1 GLY 396 HA2 0.10 0.03 0.25 -0.51 4.01 3.89 2fbwN1 GLY 396 HA3 0.05 0.02 0.66 -0.51 4.01 4.23 2fbwN1 GLU 397 H 0.08 0.01 0.14 -0.55 8.60 8.29 2fbwN1 GLU 397 HA 0.10 0.22 0.40 -0.75 4.29 4.26 2fbwN1 GLU 397 HB2 0.13 -0.07 0.13 -0.04 2.09 2.24 2fbwN1 GLU 397 HB3 -0.02 -0.20 -0.02 -0.04 1.99 1.70 2fbwN1 GLU 397 HG2 -0.30 0.09 -0.10 -0.04 2.34 1.99 2fbwN1 GLU 397 HG3 -0.77 0.26 0.15 -0.04 2.34 1.94 2fbwN1 ALA 398 H -0.00 -0.14 -0.47 -0.55 8.40 7.24 2fbwN1 ALA 398 HA -0.01 0.22 0.44 -0.75 4.34 4.23 2fbwN1 ALA 398 HB3 -0.02 -0.01 -0.02 -0.04 1.41 1.32 2fbwN1 ALA 399 H -0.01 0.31 -0.55 -0.55 8.40 7.60 2fbwN1 ALA 399 HA -0.06 0.14 0.75 -0.75 4.34 4.42 2fbwN1 ALA 399 HB3 -0.08 -0.04 -0.31 -0.04 1.41 0.93 2fbwN1 SER 400 H -0.10 0.83 -0.10 -0.55 8.46 8.54 2fbwN1 SER 400 HA -0.06 0.16 0.67 -0.75 4.49 4.51 2fbwN1 SER 400 HB2 -0.04 0.02 -0.30 -0.04 3.95 3.58 2fbwN1 SER 400 HB3 -0.11 0.00 -0.18 -0.04 3.93 3.61 2fbwN1 ALA 401 H -0.21 0.04 -0.07 -0.55 8.40 7.61 2fbwN1 ALA 401 HA -0.21 0.21 0.34 -0.75 4.34 3.92 2fbwN1 ALA 401 HB3 -0.50 -0.06 -0.06 -0.04 1.41 0.75 2fbwN1 SER 402 H -0.05 0.12 0.06 -0.55 8.46 8.05 2fbwN1 SER 402 HA -0.14 -0.08 0.14 -0.75 4.49 3.65 2fbwN1 SER 402 HB2 -0.13 0.19 -0.15 -0.04 3.95 3.82 2fbwN1 SER 402 HB3 0.03 0.08 0.14 -0.04 3.93 4.14 2fbwN1 VAL 403 H -0.32 0.15 0.07 -0.55 8.24 7.60 2fbwN1 VAL 403 HA -0.09 0.21 0.66 -0.75 4.13 4.15 2fbwN1 VAL 403 HB -0.17 0.04 -0.01 -0.04 2.12 1.93 2fbwN1 VAL 403 HG13 0.08 -0.00 -0.27 -0.04 0.97 0.74 2fbwN1 VAL 403 HG23 -0.86 -0.01 -0.04 -0.04 0.95 -0.00 2fbwN1 HIS 404 H -0.14 0.05 -0.16 -0.55 8.41 7.61 2fbwN1 HIS 404 HA -0.04 0.29 0.80 -0.75 4.63 4.93 2fbwN1 HIS 404 HB2 0.07 0.18 -0.12 -0.04 3.26 3.35 2fbwN1 HIS 404 HB3 0.02 -0.08 -0.15 -0.04 3.20 2.95 2fbwN1 HIS 404 HD2 0.18 0.24 -0.03 -0.04 6.97 7.31 2fbwN1 HIS 404 HE1 0.02 0.09 -0.22 -0.04 7.75 7.60 2fbwN1 GLY 405 H 0.00 -0.05 -0.31 -0.55 8.43 7.53 2fbwN1 GLY 405 HA2 -0.05 0.16 -0.03 -0.51 4.01 3.59 2fbwN1 GLY 405 HA3 -0.10 -0.03 0.10 -0.51 4.01 3.46 2fbwN1 ALA 406 H -0.18 0.59 0.25 -0.55 8.40 8.52 2fbwN1 ALA 406 HA -0.64 0.14 0.70 -0.75 4.34 3.80 2fbwN1 ALA 406 HB3 -0.17 0.05 -0.04 -0.04 1.41 1.21 2fbwN1 ASN 407 H -0.03 0.49 -0.13 -0.55 8.53 8.32 2fbwN1 ASN 407 HA 0.06 -0.06 0.36 -0.75 4.76 4.37 2fbwN1 ASN 407 HB2 0.06 0.01 0.12 -0.04 2.88 3.03 2fbwN1 ASN 407 HB3 0.01 0.24 -0.02 -0.04 2.79 2.98 2fbwN1 ASN 407 HD21 -0.06 -0.28 0.01 -0.04 7.03 6.66 2fbwN1 ASN 407 HD22 0.01 0.12 0.02 -0.04 7.74 7.85 2fbwN1 ARG 408 H 0.01 0.07 -0.01 -0.55 8.46 7.98 2fbwN1 ARG 408 HA -0.02 0.16 0.58 -0.75 4.34 4.31 2fbwN1 ARG 408 HB2 -0.39 0.04 -0.05 -0.04 1.90 1.47 2fbwN1 ARG 408 HB3 -0.30 -0.05 -0.03 -0.04 1.80 1.37 2fbwN1 ARG 408 HG2 -0.35 0.07 -0.44 -0.04 1.67 0.91 2fbwN1 ARG 408 HG3 -0.59 0.01 -0.08 -0.04 1.67 0.97 2fbwN1 ARG 408 HD2 -0.85 -0.13 -0.20 -0.04 3.22 1.99 2fbwN1 ARG 408 HD3 -1.56 0.10 -0.14 -0.04 3.22 1.58 2fbwN1 LEU 409 H -0.00 0.16 0.12 -0.55 8.37 8.10 2fbwN1 LEU 409 HA -0.02 0.09 0.60 -0.75 4.35 4.26 2fbwN1 LEU 409 HB2 0.07 -0.11 0.05 -0.04 1.64 1.61 2fbwN1 LEU 409 HB3 0.06 0.15 -0.05 -0.04 1.64 1.76 2fbwN1 LEU 409 HG 0.01 0.02 0.02 -0.04 1.64 1.65 2fbwN1 LEU 409 HD13 0.08 0.04 -0.25 -0.04 0.93 0.76 2fbwN1 LEU 409 HD23 -0.01 0.04 -0.01 -0.04 0.89 0.87 2fbwN1 GLY 410 H 0.06 0.20 0.15 -0.55 8.43 8.29 2fbwN1 GLY 410 HA2 0.13 -0.04 0.39 -0.51 4.01 3.98 2fbwN1 GLY 410 HA3 0.47 0.04 0.33 -0.51 4.01 4.33 2fbwN1 ALA 411 H 0.01 0.05 0.18 -0.55 8.40 8.09 2fbwN1 ALA 411 HA -0.16 0.08 0.38 -0.75 4.34 3.89 2fbwN1 ALA 411 HB3 -0.58 0.05 -0.26 -0.04 1.41 0.58 2fbwN1 ASN 412 H -0.03 0.57 -0.38 -0.55 8.53 8.14 2fbwN1 ASN 412 HA 0.10 0.18 0.82 -0.75 4.76 5.10 2fbwN1 ASN 412 HB2 0.05 0.26 0.07 -0.04 2.88 3.22 2fbwN1 ASN 412 HB3 0.24 -0.04 0.01 -0.04 2.79 2.96 2fbwN1 ASN 412 HD21 0.16 0.05 -0.03 -0.04 7.03 7.17 2fbwN1 ASN 412 HD22 0.14 -0.01 0.01 -0.04 7.74 7.84 2fbwN1 SER 413 H -0.08 0.05 -0.09 -0.55 8.46 7.80 2fbwN1 SER 413 HA 0.09 0.22 0.58 -0.75 4.49 4.62 2fbwN1 SER 413 HB2 -0.44 0.10 0.02 -0.04 3.95 3.59 2fbwN1 SER 413 HB3 -0.11 -0.05 0.10 -0.04 3.93 3.83 2fbwN1 LEU 414 H 0.01 0.14 -0.04 -0.55 8.37 7.93 2fbwN1 LEU 414 HA 0.05 0.01 0.38 -0.75 4.35 4.04 2fbwN1 LEU 414 HB2 0.01 0.09 0.05 -0.04 1.64 1.76 2fbwN1 LEU 414 HB3 0.04 0.11 -0.08 -0.04 1.64 1.67 2fbwN1 LEU 414 HG 0.01 -0.10 0.04 -0.04 1.64 1.55 2fbwN1 LEU 414 HD13 0.02 0.06 -0.22 -0.04 0.93 0.75 2fbwN1 LEU 414 HD23 0.03 0.00 0.02 -0.04 0.89 0.89 2fbwN1 LEU 415 H 0.06 0.06 -0.60 -0.55 8.37 7.34 2fbwN1 LEU 415 HA 0.05 0.14 0.39 -0.75 4.35 4.17 2fbwN1 LEU 415 HB2 0.07 0.06 0.12 -0.04 1.64 1.85 2fbwN1 LEU 415 HB3 0.11 -0.00 0.07 -0.04 1.64 1.77 2fbwN1 LEU 415 HG 0.06 -0.04 -0.32 -0.04 1.64 1.30 2fbwN1 LEU 415 HD13 0.01 0.04 0.04 -0.04 0.93 0.98 2fbwN1 LEU 415 HD23 0.17 0.06 -0.04 -0.04 0.89 1.04 2fbwN1 ASP 416 H 0.16 0.36 -0.21 -0.55 8.40 8.16 2fbwN1 ASP 416 HA 0.34 0.04 0.41 -0.75 4.63 4.66 2fbwN1 ASP 416 HB2 0.29 0.09 0.15 -0.04 2.71 3.20 2fbwN1 ASP 416 HB3 0.24 0.10 0.28 -0.04 2.70 3.28 2fbwN1 LEU 417 H 0.12 0.44 -0.36 -0.55 8.37 8.02 2fbwN1 LEU 417 HA 0.12 -0.08 0.25 -0.75 4.35 3.88 2fbwN1 LEU 417 HB2 0.06 0.22 -0.02 -0.04 1.64 1.87 2fbwN1 LEU 417 HB3 0.06 -0.18 -0.17 -0.04 1.64 1.30 2fbwN1 LEU 417 HG 0.09 0.28 0.02 -0.04 1.64 1.99 2fbwN1 LEU 417 HD13 0.05 -0.06 0.03 -0.04 0.93 0.92 2fbwN1 LEU 417 HD23 0.11 -0.05 0.01 -0.04 0.89 0.92 2fbwN1 VAL 418 H 0.05 0.41 -0.15 -0.55 8.24 8.01 2fbwN1 VAL 418 HA 0.00 0.10 0.55 -0.75 4.13 4.03 2fbwN1 VAL 418 HB 0.02 0.07 0.02 -0.04 2.12 2.19 2fbwN1 VAL 418 HG13 0.06 0.00 -0.03 -0.04 0.97 0.96 2fbwN1 VAL 418 HG23 0.02 0.06 0.03 -0.04 0.95 1.02 2fbwN1 VAL 419 H -0.01 0.54 -0.15 -0.55 8.24 8.07 2fbwN1 VAL 419 HA -0.13 0.12 0.40 -0.75 4.13 3.77 2fbwN1 VAL 419 HB -0.21 -0.00 0.09 -0.04 2.12 1.96 2fbwN1 VAL 419 HG13 -0.60 -0.01 -0.24 -0.04 0.97 0.08 2fbwN1 VAL 419 HG23 -0.15 0.03 -0.04 -0.04 0.95 0.74 2fbwN1 PHE 420 H 0.09 0.54 -0.04 -0.55 8.34 8.37 2fbwN1 PHE 420 HA 0.06 0.15 0.60 -0.75 4.62 4.67 2fbwN1 PHE 420 HB2 0.03 0.01 0.10 -0.04 3.15 3.25 2fbwN1 PHE 420 HB3 0.01 0.04 0.04 -0.04 3.06 3.11 2fbwN1 PHE 420 HD2 0.02 0.07 0.01 -0.04 7.28 7.35 2fbwN1 PHE 420 HE2 0.05 0.06 -0.01 -0.04 7.38 7.45 2fbwN1 PHE 420 HZ 0.14 0.07 -0.04 -0.04 7.32 7.45 2fbwN1 GLY 421 H 0.06 0.36 -0.31 -0.55 8.43 8.00 2fbwN1 GLY 421 HA2 -0.01 -0.01 0.42 -0.51 4.01 3.90 2fbwN1 GLY 421 HA3 -0.04 0.13 0.29 -0.51 4.01 3.87 2fbwN1 ARG 422 H -0.05 0.40 -0.35 -0.55 8.46 7.91 2fbwN1 ARG 422 HA -0.12 0.08 0.30 -0.75 4.34 3.84 2fbwN1 ARG 422 HB2 -0.07 0.05 0.10 -0.04 1.90 1.94 2fbwN1 ARG 422 HB3 -0.05 0.14 0.12 -0.04 1.80 1.96 2fbwN1 ARG 422 HG2 -0.03 -0.03 -0.20 -0.04 1.67 1.36 2fbwN1 ARG 422 HG3 -0.06 0.00 0.00 -0.04 1.67 1.57 2fbwN1 ARG 422 HD2 -0.03 -0.01 -0.03 -0.04 3.22 3.12 2fbwN1 ARG 422 HD3 -0.04 -0.02 -0.04 -0.04 3.22 3.07 2fbwN1 ALA 423 H -0.02 0.35 -0.19 -0.55 8.40 7.99 2fbwN1 ALA 423 HA -0.03 0.01 0.36 -0.75 4.34 3.93 2fbwN1 ALA 423 HB3 -0.04 0.00 0.04 -0.04 1.41 1.38 2fbwN1 CYS 424 H -0.00 0.52 -0.29 -0.55 8.50 8.18 2fbwN1 CYS 424 HA -0.02 0.12 0.41 -0.75 4.58 4.34 2fbwN1 CYS 424 HB2 -0.11 0.08 0.06 -0.04 2.97 2.96 2fbwN1 CYS 424 HB3 -0.25 -0.05 -0.11 -0.04 2.97 2.52 2fbwN1 ALA 425 H -0.16 0.36 -0.29 -0.55 8.40 7.77 2fbwN1 ALA 425 HA -0.33 -0.02 0.26 -0.75 4.34 3.50 2fbwN1 ALA 425 HB3 -0.19 0.06 -0.04 -0.04 1.41 1.21 2fbwN1 LEU 426 H -0.10 0.59 -0.08 -0.55 8.37 8.22 2fbwN1 LEU 426 HA -0.06 0.03 0.35 -0.75 4.35 3.92 2fbwN1 LEU 426 HB2 -0.05 0.04 0.14 -0.04 1.64 1.74 2fbwN1 LEU 426 HB3 -0.02 -0.04 -0.05 -0.04 1.64 1.48 2fbwN1 LEU 426 HG -0.04 0.11 -0.01 -0.04 1.64 1.66 2fbwN1 LEU 426 HD13 0.02 -0.03 -0.08 -0.04 0.93 0.80 2fbwN1 LEU 426 HD23 -0.01 -0.00 -0.03 -0.04 0.89 0.81 2fbwN1 THR 427 H -0.09 0.74 -0.10 -0.55 8.28 8.28 2fbwN1 THR 427 HA -0.04 -0.03 0.37 -0.75 4.39 3.93 2fbwN1 THR 427 HB 0.00 0.14 0.13 -0.04 4.32 4.55 2fbwN1 THR 427 HG23 0.11 -0.05 -0.14 -0.04 1.22 1.10 2fbwN1 ILE 428 H -0.29 0.59 -0.19 -0.55 8.25 7.80 2fbwN1 ILE 428 HA -0.14 -0.00 0.46 -0.75 4.18 3.74 2fbwN1 ILE 428 HB -0.54 0.12 0.08 -0.04 1.89 1.51 2fbwN1 ILE 428 HG12 -0.59 -0.05 -0.09 -0.04 1.49 0.73 2fbwN1 ILE 428 HG13 -1.08 0.12 -0.04 -0.04 1.21 0.18 2fbwN1 ILE 428 HG23 -0.59 -0.02 -0.20 -0.04 0.93 0.08 2fbwN1 ILE 428 HD13 -0.76 -0.04 -0.23 -0.04 0.88 -0.20 2fbwN1 ALA 429 H -0.21 0.57 -0.09 -0.55 8.40 8.12 2fbwN1 ALA 429 HA 0.30 0.08 0.43 -0.75 4.34 4.40 2fbwN1 ALA 429 HB3 0.08 0.00 0.11 -0.04 1.41 1.56 2fbwN1 GLU 430 H -0.01 0.34 -0.35 -0.55 8.60 8.04 2fbwN1 GLU 430 HA 0.04 0.14 0.79 -0.75 4.29 4.51 2fbwN1 GLU 430 HB2 0.01 -0.09 0.15 -0.04 2.09 2.13 2fbwN1 GLU 430 HB3 0.01 -0.02 0.03 -0.04 1.99 1.97 2fbwN1 GLU 430 HG2 -0.01 0.18 0.11 -0.04 2.34 2.58 2fbwN1 GLU 430 HG3 -0.00 -0.05 -0.10 -0.04 2.34 2.15 2fbwN1 THR 431 H 0.04 0.25 -0.48 -0.55 8.28 7.54 2fbwN1 THR 431 HA 0.03 0.09 0.93 -0.75 4.39 4.68 2fbwN1 THR 431 HB 0.02 0.12 0.22 -0.04 4.32 4.65 2fbwN1 THR 431 HG23 0.05 -0.05 -0.13 -0.04 1.22 1.05 2fbwN1 CYS 432 H 0.11 0.57 0.24 -0.55 8.50 8.86 2fbwN1 CYS 432 HA 0.08 0.12 0.83 -0.75 4.58 4.85 2fbwN1 CYS 432 HB2 0.22 0.02 -0.06 -0.04 2.97 3.12 2fbwN1 CYS 432 HB3 0.16 -0.04 0.09 -0.04 2.97 3.14 2fbwN1 LYS 433 H 0.08 0.17 0.18 -0.55 8.42 8.29 2fbwN1 LYS 433 HA -0.05 0.28 0.95 -0.75 4.32 4.75 2fbwN1 LYS 433 HB2 -0.02 -0.06 0.05 -0.04 1.87 1.80 2fbwN1 LYS 433 HB3 -0.06 0.06 0.08 -0.04 1.79 1.83 2fbwN1 LYS 433 HG2 0.01 0.08 -0.13 -0.04 1.46 1.37 2fbwN1 LYS 433 HG3 0.03 -0.12 -0.41 -0.04 1.46 0.93 2fbwN1 LYS 433 HD2 0.00 -0.03 -0.02 -0.04 1.69 1.60 2fbwN1 LYS 433 HD3 -0.01 -0.01 -0.03 -0.04 1.68 1.60 2fbwN1 LYS 433 HE2 0.01 0.02 -0.07 -0.04 2.99 2.90 2fbwN1 LYS 433 HE3 0.02 0.03 -0.08 -0.04 2.99 2.91 2fbwN1 PRO 434 HA -0.34 -0.04 0.47 -0.51 4.44 4.02 2fbwN1 PRO 434 HB2 -0.27 0.01 0.02 -0.04 2.28 2.00 2fbwN1 PRO 434 HB3 -0.39 0.02 0.11 -0.04 2.02 1.72 2fbwN1 PRO 434 HG2 -0.55 0.13 -0.04 -0.04 2.03 1.54 2fbwN1 PRO 434 HG3 -2.11 -0.03 -0.19 -0.04 2.03 -0.34 2fbwN1 PRO 434 HD2 -0.30 0.08 0.20 -0.04 3.68 3.62 2fbwN1 PRO 434 HD3 -0.56 0.23 0.20 -0.04 3.65 3.48 2fbwN1 GLY 435 H -0.05 0.05 0.19 -0.55 8.43 8.08 2fbwN1 GLY 435 HA2 -0.02 -0.04 0.37 -0.51 4.01 3.81 2fbwN1 GLY 435 HA3 -0.05 0.10 0.50 -0.51 4.01 4.06 2fbwN1 GLU 436 H -0.01 0.28 -0.38 -0.55 8.60 7.94 2fbwN1 GLU 436 HA 0.00 0.02 0.40 -0.75 4.29 3.96 2fbwN1 GLU 436 HB2 0.04 -0.01 0.11 -0.04 2.09 2.19 2fbwN1 GLU 436 HB3 0.02 0.03 0.10 -0.04 1.99 2.10 2fbwN1 GLU 436 HG2 0.01 -0.03 0.05 -0.04 2.34 2.33 2fbwN1 GLU 436 HG3 -0.00 0.14 0.03 -0.04 2.34 2.47 2fbwN1 PRO 437 HA 0.01 0.02 0.46 -0.51 4.44 4.42 2fbwN1 PRO 437 HB2 0.01 0.06 -0.06 -0.04 2.28 2.24 2fbwN1 PRO 437 HB3 0.00 -0.01 0.11 -0.04 2.02 2.08 2fbwN1 PRO 437 HG2 0.01 0.02 0.07 -0.04 2.03 2.09 2fbwN1 PRO 437 HG3 0.01 0.00 0.07 -0.04 2.03 2.07 2fbwN1 PRO 437 HD2 0.01 0.05 0.23 -0.04 3.68 3.93 2fbwN1 PRO 437 HD3 0.00 0.12 0.18 -0.04 3.65 3.92 2fbwN1 VAL 438 H 0.01 0.05 0.13 -0.55 8.24 7.88 2fbwN1 VAL 438 HA 0.03 0.14 0.59 -0.75 4.13 4.14 2fbwN1 VAL 438 HB 0.02 0.01 0.04 -0.04 2.12 2.16 2fbwN1 VAL 438 HG13 0.00 -0.03 0.04 -0.04 0.97 0.94 2fbwN1 VAL 438 HG23 0.04 0.05 -0.20 -0.04 0.95 0.79 2fbwN1 PRO 439 HA 0.02 -0.03 0.39 -0.51 4.44 4.31 2fbwN1 PRO 439 HB2 0.02 0.07 -0.04 -0.04 2.28 2.29 2fbwN1 PRO 439 HB3 0.02 0.01 0.09 -0.04 2.02 2.10 2fbwN1 PRO 439 HG2 0.03 0.01 -0.02 -0.04 2.03 2.02 2fbwN1 PRO 439 HG3 0.03 0.17 0.01 -0.04 2.03 2.20 2fbwN1 PRO 439 HD2 0.04 -0.03 0.02 -0.04 3.68 3.67 2fbwN1 PRO 439 HD3 0.04 0.20 0.17 -0.04 3.65 4.01 2fbwN1 SER 440 H 0.01 0.06 0.13 -0.55 8.46 8.11 2fbwN1 SER 440 HA 0.01 0.18 0.69 -0.75 4.49 4.61 2fbwN1 SER 440 HB2 0.00 -0.05 0.04 -0.04 3.95 3.91 2fbwN1 SER 440 HB3 0.00 -0.00 -0.03 -0.04 3.93 3.86 2fbwN1 ILE 441 H 0.00 0.27 0.14 -0.55 8.25 8.12 2fbwN1 ILE 441 HA 0.01 0.13 0.73 -0.75 4.18 4.29 2fbwN1 ILE 441 HB 0.01 -0.06 -0.04 -0.04 1.89 1.76 2fbwN1 ILE 441 HG12 0.01 -0.02 0.01 -0.04 1.49 1.44 2fbwN1 ILE 441 HG13 0.00 0.06 -0.22 -0.04 1.21 1.02 2fbwN1 ILE 441 HG23 0.02 0.03 -0.32 -0.04 0.93 0.61 2fbwN1 ILE 441 HD13 0.01 0.00 -0.14 -0.04 0.88 0.71 2fbwN1 LYS 442 H 0.00 0.10 0.09 -0.55 8.42 8.06 2fbwN1 LYS 442 HA 0.00 0.14 0.45 -0.75 4.32 4.15 2fbwN1 LYS 442 HB2 0.00 -0.06 0.08 -0.04 1.87 1.85 2fbwN1 LYS 442 HB3 0.00 -0.01 0.06 -0.04 1.79 1.80 2fbwN1 LYS 442 HG2 0.00 0.05 0.04 -0.04 1.46 1.52 2fbwN1 LYS 442 HG3 0.00 -0.01 0.07 -0.04 1.46 1.48 2fbwN1 LYS 442 HD2 0.00 -0.02 0.04 -0.04 1.69 1.67 2fbwN1 LYS 442 HD3 0.00 0.01 0.01 -0.04 1.68 1.66 2fbwN1 LYS 442 HE2 -0.00 0.02 0.01 -0.04 2.99 2.98 2fbwN1 LYS 442 HE3 0.00 0.02 0.02 -0.04 2.99 2.99 2fbwN1 PRO 443 HA -0.00 0.15 0.41 -0.51 4.44 4.49 2fbwN1 PRO 443 HB2 -0.00 -0.01 0.02 -0.04 2.28 2.25 2fbwN1 PRO 443 HB3 -0.01 0.06 0.11 -0.04 2.02 2.14 2fbwN1 PRO 443 HG2 -0.00 0.04 0.09 -0.04 2.03 2.11 2fbwN1 PRO 443 HG3 -0.00 0.10 0.11 -0.04 2.03 2.19 2fbwN1 PRO 443 HD2 -0.00 0.06 0.19 -0.04 3.68 3.89 2fbwN1 PRO 443 HD3 -0.00 0.14 0.25 -0.04 3.65 4.00 2fbwN1 ASN 444 H 0.00 0.02 -0.42 -0.55 8.53 7.59 2fbwN1 ASN 444 HA 0.00 0.27 0.72 -0.75 4.76 5.00 2fbwN1 ASN 444 HB2 0.00 -0.04 0.11 -0.04 2.88 2.91 2fbwN1 ASN 444 HB3 0.00 0.05 -0.02 -0.04 2.79 2.78 2fbwN1 ASN 444 HD21 0.00 0.01 -0.07 -0.04 7.03 6.93 2fbwN1 ASN 444 HD22 0.00 -0.03 -0.04 -0.04 7.74 7.63 2fbwN1 ALA 445 H 0.00 0.60 -0.35 -0.55 8.40 8.10 2fbwN1 ALA 445 HA 0.01 -0.07 0.41 -0.75 4.34 3.93 2fbwN1 ALA 445 HB3 0.01 0.00 0.01 -0.04 1.41 1.39 2fbwN1 GLY 446 H 0.01 0.10 0.19 -0.55 8.43 8.18 2fbwN1 GLY 446 HA2 0.01 -0.00 0.30 -0.51 4.01 3.81 2fbwN1 GLY 446 HA3 0.01 0.21 0.50 -0.51 4.01 4.22 2fbwN1 GLU 447 H 0.00 0.55 -0.11 -0.55 8.60 8.49 2fbwN1 GLU 447 HA -0.00 0.09 0.29 -0.75 4.29 3.92 2fbwN1 GLU 447 HB2 0.01 0.00 0.05 -0.04 2.09 2.11 2fbwN1 GLU 447 HB3 0.01 0.18 0.10 -0.04 1.99 2.24 2fbwN1 GLU 447 HG2 0.00 -0.02 0.09 -0.04 2.34 2.38 2fbwN1 GLU 447 HG3 0.00 -0.04 -0.18 -0.04 2.34 2.08 2fbwN1 GLU 448 H 0.00 0.10 -0.17 -0.55 8.60 7.99 2fbwN1 GLU 448 HA -0.00 0.11 0.54 -0.75 4.29 4.18 2fbwN1 GLU 448 HB2 0.00 0.03 0.07 -0.04 2.09 2.15 2fbwN1 GLU 448 HB3 0.00 0.01 0.02 -0.04 1.99 1.98 2fbwN1 GLU 448 HG2 0.00 0.04 -0.00 -0.04 2.34 2.34 2fbwN1 GLU 448 HG3 0.00 0.02 -0.10 -0.04 2.34 2.23 2fbwN1 SER 449 H -0.01 0.30 -0.37 -0.55 8.46 7.84 2fbwN1 SER 449 HA -0.01 0.11 0.46 -0.75 4.49 4.30 2fbwN1 SER 449 HB2 -0.00 0.20 0.07 -0.04 3.95 4.18 2fbwN1 SER 449 HB3 0.01 -0.03 -0.07 -0.04 3.93 3.79 2fbwN1 VAL 450 H -0.04 0.35 -0.13 -0.55 8.24 7.87 2fbwN1 VAL 450 HA -0.17 0.05 0.40 -0.75 4.13 3.65 2fbwN1 VAL 450 HB -0.05 0.11 0.08 -0.04 2.12 2.23 2fbwN1 VAL 450 HG13 -0.28 0.00 -0.09 -0.04 0.97 0.57 2fbwN1 VAL 450 HG23 -0.07 0.04 -0.06 -0.04 0.95 0.82 2fbwN1 ALA 451 H -0.03 0.45 -0.17 -0.55 8.40 8.10 2fbwN1 ALA 451 HA 0.01 0.08 0.47 -0.75 4.34 4.15 2fbwN1 ALA 451 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 2fbwN1 ASN 452 H -0.02 0.42 -0.29 -0.55 8.53 8.10 2fbwN1 ASN 452 HA -0.02 0.05 0.40 -0.75 4.76 4.44 2fbwN1 ASN 452 HB2 -0.01 0.02 0.11 -0.04 2.88 2.96 2fbwN1 ASN 452 HB3 -0.02 0.10 0.17 -0.04 2.79 2.99 2fbwN1 ASN 452 HD21 -0.02 -0.03 -0.10 -0.04 7.03 6.83 2fbwN1 ASN 452 HD22 -0.02 0.04 -0.13 -0.04 7.74 7.59 2fbwN1 LEU 453 H -0.07 0.46 -0.29 -0.55 8.37 7.93 2fbwN1 LEU 453 HA -0.09 -0.02 0.33 -0.75 4.35 3.82 2fbwN1 LEU 453 HB2 -0.11 0.04 0.08 -0.04 1.64 1.61 2fbwN1 LEU 453 HB3 -0.21 0.13 0.11 -0.04 1.64 1.64 2fbwN1 LEU 453 HG -0.14 -0.07 0.01 -0.04 1.64 1.39 2fbwN1 LEU 453 HD13 -0.15 -0.02 -0.08 -0.04 0.93 0.65 2fbwN1 LEU 453 HD23 -0.24 0.01 -0.28 -0.04 0.89 0.33 2fbwN1 ASP 454 H -0.05 0.44 -0.35 -0.55 8.40 7.89 2fbwN1 ASP 454 HA 0.10 0.03 0.45 -0.75 4.63 4.45 2fbwN1 ASP 454 HB2 0.13 0.06 0.10 -0.04 2.71 2.97 2fbwN1 ASP 454 HB3 0.13 0.06 0.10 -0.04 2.70 2.95 2fbwN1 LYS 455 H 0.03 0.55 -0.17 -0.55 8.42 8.27 2fbwN1 LYS 455 HA 0.08 0.01 0.39 -0.75 4.32 4.04 2fbwN1 LYS 455 HB2 0.01 0.11 0.16 -0.04 1.87 2.12 2fbwN1 LYS 455 HB3 -0.01 0.09 0.15 -0.04 1.79 1.98 2fbwN1 LYS 455 HG2 -0.01 -0.00 -0.05 -0.04 1.46 1.35 2fbwN1 LYS 455 HG3 0.01 -0.03 0.03 -0.04 1.46 1.43 2fbwN1 LYS 455 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.61 2fbwN1 LYS 455 HD3 -0.01 -0.04 -0.02 -0.04 1.68 1.57 2fbwN1 LYS 455 HE2 -0.03 0.06 0.02 -0.04 2.99 3.00 2fbwN1 LYS 455 HE3 -0.05 0.03 -0.04 -0.04 2.99 2.89 2fbwN1 LEU 456 H -0.04 0.49 -0.17 -0.55 8.37 8.10 2fbwN1 LEU 456 HA -0.05 0.04 0.43 -0.75 4.35 4.02 2fbwN1 LEU 456 HB2 -0.08 0.05 0.04 -0.04 1.64 1.60 2fbwN1 LEU 456 HB3 -0.07 -0.10 0.02 -0.04 1.64 1.45 2fbwN1 LEU 456 HG -0.05 0.29 0.05 -0.04 1.64 1.89 2fbwN1 LEU 456 HD13 -0.06 -0.04 -0.15 -0.04 0.93 0.65 2fbwN1 LEU 456 HD23 -0.05 -0.02 -0.08 -0.04 0.89 0.70 2fbwN1 ARG 457 H -0.12 0.44 -0.23 -0.55 8.46 8.00 2fbwN1 ARG 457 HA -0.23 -0.07 0.39 -0.75 4.34 3.67 2fbwN1 ARG 457 HB2 -0.22 0.01 0.13 -0.04 1.90 1.78 2fbwN1 ARG 457 HB3 -0.47 0.11 0.14 -0.04 1.80 1.54 2fbwN1 ARG 457 HG2 -1.24 0.01 -0.16 -0.04 1.67 0.24 2fbwN1 ARG 457 HG3 -0.36 -0.01 0.03 -0.04 1.67 1.29 2fbwN1 ARG 457 HD2 -0.05 -0.08 -0.04 -0.04 3.22 3.01 2fbwN1 ARG 457 HD3 -0.16 -0.03 -0.04 -0.04 3.22 2.95 2fbwN1 PHE 458 H -0.07 0.35 -0.32 -0.55 8.34 7.74 2fbwN1 PHE 458 HA -0.01 0.17 0.74 -0.75 4.62 4.77 2fbwN1 PHE 458 HB2 -0.00 0.06 0.03 -0.04 3.15 3.20 2fbwN1 PHE 458 HB3 -0.01 -0.06 0.12 -0.04 3.06 3.06 2fbwN1 PHE 458 HD2 0.02 0.09 -0.00 -0.04 7.28 7.34 2fbwN1 PHE 458 HE2 0.05 -0.04 -0.01 -0.04 7.38 7.34 2fbwN1 PHE 458 HZ 0.01 -0.02 -0.02 -0.04 7.32 7.24 2fbwN1 ALA 459 H -0.03 0.25 -0.35 -0.55 8.40 7.73 2fbwN1 ALA 459 HA 0.01 -0.02 0.36 -0.75 4.34 3.94 2fbwN1 ALA 459 HB3 -0.04 0.04 -0.02 -0.04 1.41 1.35 2fbwN1 ASP 460 H -0.01 0.11 0.18 -0.55 8.40 8.13 2fbwN1 ASP 460 HA -0.10 0.17 0.98 -0.75 4.63 4.93 2fbwN1 ASP 460 HB2 -0.00 0.16 -0.03 -0.04 2.71 2.80 2fbwN1 ASP 460 HB3 -0.01 -0.07 0.20 -0.04 2.70 2.78 2fbwN1 GLY 461 H -0.04 0.47 0.03 -0.55 8.43 8.34 2fbwN1 GLY 461 HA2 0.02 0.04 0.43 -0.51 4.01 3.99 2fbwN1 GLY 461 HA3 0.02 0.10 0.07 -0.51 4.01 3.70 2fbwN1 THR 462 H 0.05 0.40 0.22 -0.55 8.28 8.40 2fbwN1 THR 462 HA -0.01 0.18 0.84 -0.75 4.39 4.65 2fbwN1 THR 462 HB -0.02 0.00 0.09 -0.04 4.32 4.34 2fbwN1 THR 462 HG23 -0.03 -0.02 -0.09 -0.04 1.22 1.04 2fbwN1 ILE 463 H 0.04 0.73 0.13 -0.55 8.25 8.59 2fbwN1 ILE 463 HA 0.03 0.12 0.91 -0.75 4.18 4.49 2fbwN1 ILE 463 HB 0.05 0.02 -0.03 -0.04 1.89 1.88 2fbwN1 ILE 463 HG12 0.02 0.05 -0.20 -0.04 1.49 1.32 2fbwN1 ILE 463 HG13 0.06 -0.04 -0.11 -0.04 1.21 1.08 2fbwN1 ILE 463 HG23 0.04 0.01 -0.12 -0.04 0.93 0.82 2fbwN1 ILE 463 HD13 0.06 0.03 -0.04 -0.04 0.88 0.88 2fbwN1 ARG 464 H 0.06 0.16 0.07 -0.55 8.46 8.21 2fbwN1 ARG 464 HA 0.04 0.29 0.76 -0.75 4.34 4.67 2fbwN1 ARG 464 HB2 0.24 0.00 0.16 -0.04 1.90 2.26 2fbwN1 ARG 464 HB3 0.20 0.12 0.07 -0.04 1.80 2.15 2fbwN1 ARG 464 HG2 0.09 0.03 0.11 -0.04 1.67 1.85 2fbwN1 ARG 464 HG3 0.10 -0.30 -0.11 -0.04 1.67 1.31 2fbwN1 ARG 464 HD2 0.19 0.10 0.00 -0.04 3.22 3.48 2fbwN1 ARG 464 HD3 0.09 0.02 -0.01 -0.04 3.22 3.28 2fbwN1 THR 465 H 0.06 0.37 0.25 -0.55 8.28 8.41 2fbwN1 THR 465 HA 0.03 0.12 0.40 -0.75 4.39 4.18 2fbwN1 THR 465 HB 0.05 -0.07 0.14 -0.04 4.32 4.41 2fbwN1 THR 465 HG23 0.02 0.01 -0.18 -0.04 1.22 1.03 2fbwN1 SER 466 H 0.07 0.12 -0.12 -0.55 8.46 7.99 2fbwN1 SER 466 HA 0.05 0.09 0.38 -0.75 4.49 4.26 2fbwN1 SER 466 HB2 0.05 0.06 0.05 -0.04 3.95 4.06 2fbwN1 SER 466 HB3 0.04 0.00 0.08 -0.04 3.93 4.02 2fbwN1 GLU 467 H 0.06 0.21 -0.42 -0.55 8.60 7.90 2fbwN1 GLU 467 HA 0.05 0.07 0.47 -0.75 4.29 4.13 2fbwN1 GLU 467 HB2 0.05 -0.07 0.09 -0.04 2.09 2.12 2fbwN1 GLU 467 HB3 0.05 0.15 0.10 -0.04 1.99 2.25 2fbwN1 GLU 467 HG2 0.04 0.01 -0.14 -0.04 2.34 2.21 2fbwN1 GLU 467 HG3 0.04 -0.01 0.04 -0.04 2.34 2.37 2fbwN1 ALA 468 H 0.04 0.41 -0.09 -0.55 8.40 8.22 2fbwN1 ALA 468 HA 0.04 0.06 0.40 -0.75 4.34 4.08 2fbwN1 ALA 468 HB3 0.02 0.03 -0.01 -0.04 1.41 1.41 2fbwN1 ARG 469 H 0.05 0.54 -0.13 -0.55 8.46 8.37 2fbwN1 ARG 469 HA 0.05 0.05 0.43 -0.75 4.34 4.12 2fbwN1 ARG 469 HB2 0.05 -0.00 0.06 -0.04 1.90 1.97 2fbwN1 ARG 469 HB3 0.06 0.00 0.10 -0.04 1.80 1.92 2fbwN1 ARG 469 HG2 0.07 0.00 -0.21 -0.04 1.67 1.49 2fbwN1 ARG 469 HG3 0.06 -0.01 -0.02 -0.04 1.67 1.66 2fbwN1 ARG 469 HD2 0.07 -0.00 -0.08 -0.04 3.22 3.17 2fbwN1 ARG 469 HD3 0.07 0.06 -0.07 -0.04 3.22 3.24 2fbwN1 LEU 470 H 0.07 0.50 -0.18 -0.55 8.37 8.21 2fbwN1 LEU 470 HA 0.14 0.03 0.37 -0.75 4.35 4.14 2fbwN1 LEU 470 HB2 0.10 0.06 0.15 -0.04 1.64 1.91 2fbwN1 LEU 470 HB3 0.07 0.08 0.13 -0.04 1.64 1.88 2fbwN1 LEU 470 HG 0.06 -0.03 -0.14 -0.04 1.64 1.49 2fbwN1 LEU 470 HD13 0.30 -0.01 0.03 -0.04 0.93 1.21 2fbwN1 LEU 470 HD23 0.07 -0.01 -0.01 -0.04 0.89 0.90 2fbwN1 ASN 471 H 0.05 0.44 -0.30 -0.55 8.53 8.17 2fbwN1 ASN 471 HA 0.03 -0.02 0.37 -0.75 4.76 4.39 2fbwN1 ASN 471 HB2 0.03 0.16 0.15 -0.04 2.88 3.18 2fbwN1 ASN 471 HB3 0.02 -0.05 -0.04 -0.04 2.79 2.68 2fbwN1 ASN 471 HD21 0.03 -0.07 -0.07 -0.04 7.03 6.88 2fbwN1 ASN 471 HD22 0.03 -0.03 -0.04 -0.04 7.74 7.66 2fbwN1 MET 472 H 0.04 0.53 -0.18 -0.55 8.47 8.31 2fbwN1 MET 472 HA 0.02 -0.03 0.43 -0.75 4.52 4.19 2fbwN1 MET 472 HB2 0.04 -0.02 0.09 -0.04 2.15 2.22 2fbwN1 MET 472 HB3 0.04 0.13 0.21 -0.04 2.03 2.36 2fbwN1 MET 472 HG2 -0.00 0.16 -0.33 -0.04 2.63 2.42 2fbwN1 MET 472 HG3 0.01 -0.09 -0.02 -0.04 2.56 2.42 2fbwN1 MET 472 HE3 0.05 0.01 -0.02 -0.04 2.10 2.09 2fbwN1 GLN 473 H 0.07 0.65 -0.07 -0.55 8.47 8.58 2fbwN1 GLN 473 HA 0.02 0.38 0.42 -0.75 4.36 4.42 2fbwN1 GLN 473 HB2 0.22 0.02 0.02 -0.04 2.15 2.36 2fbwN1 GLN 473 HB3 0.24 -0.15 -0.50 -0.04 2.02 1.56 2fbwN1 GLN 473 HG2 0.08 0.11 -0.45 -0.04 2.40 2.10 2fbwN1 GLN 473 HG3 0.08 0.05 -0.02 -0.04 2.39 2.46 2fbwN1 GLN 473 HE21 0.06 -0.19 -0.04 -0.04 6.97 6.76 2fbwN1 GLN 473 HE22 0.06 0.58 0.05 -0.04 7.69 8.34 2fbwN1 LYS 474 H 0.06 0.66 -0.17 -0.55 8.42 8.41 2fbwN1 LYS 474 HA -0.02 -0.03 0.55 -0.75 4.32 4.07 2fbwN1 LYS 474 HB2 -0.02 0.12 0.12 -0.04 1.87 2.05 2fbwN1 LYS 474 HB3 -0.07 -0.06 0.00 -0.04 1.79 1.63 2fbwN1 LYS 474 HG2 -0.47 -0.06 0.02 -0.04 1.46 0.90 2fbwN1 LYS 474 HG3 -0.08 0.12 0.03 -0.04 1.46 1.49 2fbwN1 LYS 474 HD2 -0.08 0.01 -0.06 -0.04 1.69 1.52 2fbwN1 LYS 474 HD3 -0.18 -0.03 -0.02 -0.04 1.68 1.42 2fbwN1 LYS 474 HE2 -0.58 -0.01 -0.02 -0.04 2.99 2.34 2fbwN1 LYS 474 HE3 -0.14 0.00 -0.03 -0.04 2.99 2.78 2fbwN1 THR 475 H 0.03 0.58 -0.13 -0.55 8.28 8.20 2fbwN1 THR 475 HA 0.17 -0.00 0.41 -0.75 4.39 4.21 2fbwN1 THR 475 HB -0.00 0.12 0.18 -0.04 4.32 4.58 2fbwN1 THR 475 HG23 -0.08 -0.03 -0.08 -0.04 1.22 0.98 2fbwN1 MET 476 H -0.04 0.64 -0.05 -0.55 8.47 8.48 2fbwN1 MET 476 HA -0.06 -0.01 0.33 -0.75 4.52 4.03 2fbwN1 MET 476 HB2 -0.43 0.14 0.08 -0.04 2.15 1.90 2fbwN1 MET 476 HB3 -1.02 -0.08 -0.10 -0.04 2.03 0.79 2fbwN1 MET 476 HG2 -0.14 0.22 0.05 -0.04 2.63 2.73 2fbwN1 MET 476 HG3 -0.31 -0.03 -0.11 -0.04 2.56 2.08 2fbwN1 MET 476 HE3 -0.12 -0.01 -0.06 -0.04 2.10 1.88 2fbwN1 GLN 477 H 0.05 0.51 -0.23 -0.55 8.47 8.25 2fbwN1 GLN 477 HA 0.39 -0.01 0.41 -0.75 4.36 4.40 2fbwN1 GLN 477 HB2 0.25 -0.04 0.26 -0.04 2.15 2.58 2fbwN1 GLN 477 HB3 0.11 0.11 0.16 -0.04 2.02 2.35 2fbwN1 GLN 477 HG2 0.23 0.00 0.03 -0.04 2.40 2.63 2fbwN1 GLN 477 HG3 0.18 0.03 0.01 -0.04 2.39 2.57 2fbwN1 GLN 477 HE21 0.25 -0.02 0.11 -0.04 6.97 7.27 2fbwN1 GLN 477 HE22 0.22 0.03 0.09 -0.04 7.69 7.99 2fbwN1 SER 478 H 0.06 0.55 -0.18 -0.55 8.46 8.34 2fbwN1 SER 478 HA -0.01 0.17 0.91 -0.75 4.49 4.80 2fbwN1 SER 478 HB2 -0.16 -0.07 0.15 -0.04 3.95 3.83 2fbwN1 SER 478 HB3 -0.05 -0.05 0.05 -0.04 3.93 3.84 2fbwN1 HIS 479 H 0.12 0.34 -0.17 -0.55 8.41 8.16 2fbwN1 HIS 479 HA 0.02 0.15 1.01 -0.75 4.63 5.06 2fbwN1 HIS 479 HB2 -0.01 0.13 0.03 -0.04 3.26 3.37 2fbwN1 HIS 479 HB3 -0.01 -0.06 0.10 -0.04 3.20 3.19 2fbwN1 HIS 479 HD2 -0.01 0.09 0.03 -0.04 6.97 7.04 2fbwN1 HIS 479 HE1 -0.01 -0.07 -0.01 -0.04 7.75 7.63 2fbwN1 ALA 480 H 0.16 0.41 -0.09 -0.55 8.40 8.34 2fbwN1 ALA 480 HA 0.13 0.10 0.67 -0.75 4.34 4.49 2fbwN1 ALA 480 HB3 0.16 -0.00 0.05 -0.04 1.41 1.58 2fbwN1 ALA 481 H 0.10 0.10 -0.14 -0.55 8.40 7.91 2fbwN1 ALA 481 HA 0.31 0.12 0.62 -0.75 4.34 4.64 2fbwN1 ALA 481 HB3 0.00 0.05 0.18 -0.04 1.41 1.60 2fbwN1 VAL 482 H -0.53 0.09 0.13 -0.55 8.24 7.38 2fbwN1 VAL 482 HA -0.83 0.10 0.37 -0.75 4.13 3.01 2fbwN1 VAL 482 HB -0.37 -0.01 0.11 -0.04 2.12 1.81 2fbwN1 VAL 482 HG13 -0.66 0.01 -0.15 -0.04 0.97 0.12 2fbwN1 VAL 482 HG23 -0.90 -0.01 0.01 -0.04 0.95 0.01 2fbwN1 PHE 483 H -0.04 0.08 -0.07 -0.55 8.34 7.75 2fbwN1 PHE 483 HA -0.09 0.20 0.85 -0.75 4.62 4.82 2fbwN1 PHE 483 HB2 -0.08 -0.04 0.06 -0.04 3.15 3.04 2fbwN1 PHE 483 HB3 -0.07 -0.01 -0.04 -0.04 3.06 2.90 2fbwN1 PHE 483 HD2 -0.08 -0.01 -0.07 -0.04 7.28 7.09 2fbwN1 PHE 483 HE2 -0.05 0.02 -0.05 -0.04 7.38 7.26 2fbwN1 PHE 483 HZ -0.03 -0.03 -0.07 -0.04 7.32 7.16 2fbwN1 ARG 484 H 0.05 0.52 0.31 -0.55 8.46 8.80 2fbwN1 ARG 484 HA 0.03 0.16 0.89 -0.75 4.34 4.67 2fbwN1 ARG 484 HB2 -0.09 0.15 0.05 -0.04 1.90 1.97 2fbwN1 ARG 484 HB3 0.01 -0.06 0.02 -0.04 1.80 1.74 2fbwN1 ARG 484 HG2 0.07 -0.03 -0.08 -0.04 1.67 1.59 2fbwN1 ARG 484 HG3 0.02 0.12 -0.60 -0.04 1.67 1.16 2fbwN1 ARG 484 HD2 -0.00 -0.06 -0.04 -0.04 3.22 3.08 2fbwN1 ARG 484 HD3 0.13 -0.05 -0.04 -0.04 3.22 3.23 2fbwN1 THR 485 H 0.03 0.31 0.23 -0.55 8.28 8.30 2fbwN1 THR 485 HA 0.02 0.07 0.74 -0.75 4.39 4.47 2fbwN1 THR 485 HB 0.00 0.11 -0.18 -0.04 4.32 4.21 2fbwN1 THR 485 HG23 0.01 -0.03 -0.09 -0.04 1.22 1.07 2fbwN1 GLY 486 H 0.06 0.16 0.15 -0.55 8.43 8.26 2fbwN1 GLY 486 HA2 0.05 0.20 0.37 -0.51 4.01 4.12 2fbwN1 GLY 486 HA3 0.08 0.11 0.37 -0.51 4.01 4.06 2fbwN1 SER 487 H 0.03 0.08 -0.08 -0.55 8.46 7.94 2fbwN1 SER 487 HA 0.02 0.14 0.52 -0.75 4.49 4.42 2fbwN1 SER 487 HB2 0.02 0.05 0.07 -0.04 3.95 4.05 2fbwN1 SER 487 HB3 0.02 0.03 0.09 -0.04 3.93 4.02 2fbwN1 ILE 488 H 0.04 0.08 -0.14 -0.55 8.25 7.68 2fbwN1 ILE 488 HA 0.14 0.08 0.59 -0.75 4.18 4.23 2fbwN1 ILE 488 HB 0.04 -0.04 0.20 -0.04 1.89 2.06 2fbwN1 ILE 488 HG12 0.01 0.04 0.04 -0.04 1.49 1.54 2fbwN1 ILE 488 HG13 0.02 -0.15 0.03 -0.04 1.21 1.06 2fbwN1 ILE 488 HG23 -0.00 0.05 0.08 -0.04 0.93 1.02 2fbwN1 ILE 488 HD13 -0.03 0.02 0.02 -0.04 0.88 0.86 2fbwN1 LEU 489 H 0.05 0.57 0.06 -0.55 8.37 8.50 2fbwN1 LEU 489 HA 0.04 0.18 0.49 -0.75 4.35 4.31 2fbwN1 LEU 489 HB2 0.01 0.07 0.11 -0.04 1.64 1.79 2fbwN1 LEU 489 HB3 -0.03 -0.00 -0.00 -0.04 1.64 1.56 2fbwN1 LEU 489 HG 0.04 -0.08 0.08 -0.04 1.64 1.64 2fbwN1 LEU 489 HD13 0.04 -0.02 -0.33 -0.04 0.93 0.57 2fbwN1 LEU 489 HD23 0.05 0.05 0.05 -0.04 0.89 1.00 2fbwN1 GLN 490 H -0.00 0.45 -0.18 -0.55 8.47 8.18 2fbwN1 GLN 490 HA -0.10 0.03 0.45 -0.75 4.36 3.98 2fbwN1 GLN 490 HB2 -0.00 0.05 0.16 -0.04 2.15 2.32 2fbwN1 GLN 490 HB3 -0.01 -0.06 0.04 -0.04 2.02 1.95 2fbwN1 GLN 490 HG2 -0.01 -0.04 0.05 -0.04 2.40 2.35 2fbwN1 GLN 490 HG3 0.00 0.50 0.21 -0.04 2.39 3.06 2fbwN1 GLN 490 HE21 0.04 -0.03 -0.02 -0.04 6.97 6.92 2fbwN1 GLN 490 HE22 0.03 0.04 -0.01 -0.04 7.69 7.71 2fbwN1 GLU 491 H -0.00 0.48 -0.12 -0.55 8.60 8.41 2fbwN1 GLU 491 HA -0.06 0.01 0.54 -0.75 4.29 4.03 2fbwN1 GLU 491 HB2 0.02 -0.00 0.16 -0.04 2.09 2.22 2fbwN1 GLU 491 HB3 0.05 0.12 0.20 -0.04 1.99 2.32 2fbwN1 GLU 491 HG2 -0.20 0.00 -0.18 -0.04 2.34 1.92 2fbwN1 GLU 491 HG3 -0.04 -0.05 0.08 -0.04 2.34 2.28 2fbwN1 GLY 492 H -0.15 0.58 -0.20 -0.55 8.43 8.11 2fbwN1 GLY 492 HA2 -0.60 -0.01 0.41 -0.51 4.01 3.29 2fbwN1 GLY 492 HA3 -0.24 0.13 0.30 -0.51 4.01 3.68 2fbwN1 CYS 493 H -0.20 0.58 -0.13 -0.55 8.50 8.21 2fbwN1 CYS 493 HA -0.31 -0.00 0.35 -0.75 4.58 3.87 2fbwN1 CYS 493 HB2 -0.28 0.12 0.15 -0.04 2.97 2.93 2fbwN1 CYS 493 HB3 -0.73 -0.06 -0.04 -0.04 2.97 2.09 2fbwN1 GLU 494 H -0.10 0.50 -0.19 -0.55 8.60 8.26 2fbwN1 GLU 494 HA 0.03 0.03 0.51 -0.75 4.29 4.10 2fbwN1 GLU 494 HB2 -0.04 0.11 0.18 -0.04 2.09 2.30 2fbwN1 GLU 494 HB3 -0.00 -0.05 0.05 -0.04 1.99 1.94 2fbwN1 GLU 494 HG2 -0.01 0.15 0.07 -0.04 2.34 2.51 2fbwN1 GLU 494 HG3 0.01 -0.04 0.03 -0.04 2.34 2.30 2fbwN1 LYS 495 H -0.11 0.59 -0.16 -0.55 8.42 8.18 2fbwN1 LYS 495 HA -0.03 -0.01 0.43 -0.75 4.32 3.95 2fbwN1 LYS 495 HB2 -0.19 0.15 0.21 -0.04 1.87 2.00 2fbwN1 LYS 495 HB3 -0.07 -0.05 0.00 -0.04 1.79 1.62 2fbwN1 LYS 495 HG2 -0.06 -0.08 0.04 -0.04 1.46 1.32 2fbwN1 LYS 495 HG3 -0.15 0.19 0.06 -0.04 1.46 1.52 2fbwN1 LYS 495 HD2 -0.26 0.02 -0.03 -0.04 1.69 1.38 2fbwN1 LYS 495 HD3 -0.04 -0.03 -0.01 -0.04 1.68 1.56 2fbwN1 LYS 495 HE2 0.00 -0.04 -0.02 -0.04 2.99 2.90 2fbwN1 LYS 495 HE3 -0.05 -0.00 -0.05 -0.04 2.99 2.85 2fbwN1 LEU 496 H -0.05 0.66 -0.13 -0.55 8.37 8.30 2fbwN1 LEU 496 HA 0.03 0.00 0.41 -0.75 4.35 4.04 2fbwN1 LEU 496 HB2 0.01 0.12 0.13 -0.04 1.64 1.86 2fbwN1 LEU 496 HB3 0.05 -0.05 -0.07 -0.04 1.64 1.54 2fbwN1 LEU 496 HG -0.04 0.10 -0.02 -0.04 1.64 1.64 2fbwN1 LEU 496 HD13 -0.01 -0.02 -0.20 -0.04 0.93 0.66 2fbwN1 LEU 496 HD23 0.01 -0.01 -0.00 -0.04 0.89 0.85 2fbwN1 SER 497 H 0.07 0.57 -0.16 -0.55 8.46 8.40 2fbwN1 SER 497 HA 0.11 0.04 0.47 -0.75 4.49 4.36 2fbwN1 SER 497 HB2 0.09 0.09 0.19 -0.04 3.95 4.28 2fbwN1 SER 497 HB3 0.09 -0.05 0.01 -0.04 3.93 3.94 2fbwN1 GLN 498 H 0.05 0.52 -0.21 -0.55 8.47 8.29 2fbwN1 GLN 498 HA 0.06 0.01 0.48 -0.75 4.36 4.16 2fbwN1 GLN 498 HB2 0.03 0.03 0.12 -0.04 2.15 2.29 2fbwN1 GLN 498 HB3 0.03 0.16 0.17 -0.04 2.02 2.34 2fbwN1 GLN 498 HG2 0.02 -0.02 -0.02 -0.04 2.40 2.34 2fbwN1 GLN 498 HG3 0.04 -0.02 -0.21 -0.04 2.39 2.16 2fbwN1 GLN 498 HE21 0.05 -0.00 -0.01 -0.04 6.97 6.96 2fbwN1 GLN 498 HE22 0.05 -0.01 -0.04 -0.04 7.69 7.64 2fbwN1 ILE 499 H 0.05 0.56 -0.08 -0.55 8.25 8.24 2fbwN1 ILE 499 HA 0.04 -0.02 0.37 -0.75 4.18 3.82 2fbwN1 ILE 499 HB 0.06 0.11 0.15 -0.04 1.89 2.17 2fbwN1 ILE 499 HG12 0.03 -0.08 -0.01 -0.04 1.49 1.39 2fbwN1 ILE 499 HG13 0.03 0.06 0.05 -0.04 1.21 1.30 2fbwN1 ILE 499 HG23 0.04 -0.02 -0.12 -0.04 0.93 0.79 2fbwN1 ILE 499 HD13 0.02 -0.02 -0.23 -0.04 0.88 0.61 2fbwN1 TYR 500 H 0.17 0.65 -0.24 -0.55 8.29 8.32 2fbwN1 TYR 500 HA 0.00 -0.03 0.31 -0.75 4.56 4.09 2fbwN1 TYR 500 HB2 0.01 0.04 0.11 -0.04 3.06 3.18 2fbwN1 TYR 500 HB3 0.01 0.14 0.14 -0.04 2.98 3.23 2fbwN1 TYR 500 HD2 -0.01 0.04 -0.16 -0.04 7.15 6.98 2fbwN1 TYR 500 HE2 -0.02 0.03 -0.23 -0.04 6.85 6.59 2fbwN1 ARG 501 H 0.13 0.55 -0.09 -0.55 8.46 8.50 2fbwN1 ARG 501 HA -0.02 0.06 0.45 -0.75 4.34 4.07 2fbwN1 ARG 501 HB2 0.06 0.07 0.21 -0.04 1.90 2.20 2fbwN1 ARG 501 HB3 0.03 -0.10 0.05 -0.04 1.80 1.74 2fbwN1 ARG 501 HG2 0.07 0.01 0.10 -0.04 1.67 1.81 2fbwN1 ARG 501 HG3 0.11 0.19 0.13 -0.04 1.67 2.05 2fbwN1 ARG 501 HD2 0.04 -0.06 0.03 -0.04 3.22 3.19 2fbwN1 ARG 501 HD3 0.05 -0.03 0.02 -0.04 3.22 3.22 2fbwN1 ASP 502 H 0.02 0.63 -0.27 -0.55 8.40 8.24 2fbwN1 ASP 502 HA 0.09 -0.00 0.45 -0.75 4.63 4.42 2fbwN1 ASP 502 HB2 0.05 0.13 0.13 -0.04 2.71 2.98 2fbwN1 ASP 502 HB3 0.10 -0.12 0.09 -0.04 2.70 2.72 2fbwN1 LEU 503 H -0.15 0.59 -0.52 -0.55 8.37 7.75 2fbwN1 LEU 503 HA -0.08 -0.04 0.40 -0.75 4.35 3.87 2fbwN1 LEU 503 HB2 -0.32 0.19 0.08 -0.04 1.64 1.55 2fbwN1 LEU 503 HB3 -0.17 -0.11 0.08 -0.04 1.64 1.39 2fbwN1 LEU 503 HG -0.17 0.24 0.11 -0.04 1.64 1.78 2fbwN1 LEU 503 HD13 -0.30 -0.02 -0.01 -0.04 0.93 0.56 2fbwN1 LEU 503 HD23 -0.04 -0.05 -0.07 -0.04 0.89 0.69 2fbwN1 ALA 504 H -0.23 0.47 -0.42 -0.55 8.40 7.67 2fbwN1 ALA 504 HA -0.20 0.03 0.41 -0.75 4.34 3.83 2fbwN1 ALA 504 HB3 -0.39 0.00 0.11 -0.04 1.41 1.09 2fbwN1 HIS 505 H -0.19 0.59 -0.40 -0.55 8.41 7.86 2fbwN1 HIS 505 HA -0.03 0.19 0.85 -0.75 4.63 4.88 2fbwN1 HIS 505 HB2 -0.02 0.15 0.14 -0.04 3.26 3.49 2fbwN1 HIS 505 HB3 -0.02 -0.21 0.22 -0.04 3.20 3.15 2fbwN1 HIS 505 HD2 -0.01 0.01 0.04 -0.04 6.97 6.96 2fbwN1 HIS 505 HE1 -0.01 -0.01 -0.05 -0.04 7.75 7.64 2fbwN1 LEU 506 H -0.05 0.44 -0.34 -0.55 8.37 7.87 2fbwN1 LEU 506 HA -0.00 0.34 0.45 -0.75 4.35 4.38 2fbwN1 LEU 506 HB2 -0.05 0.11 0.10 -0.04 1.64 1.76 2fbwN1 LEU 506 HB3 -0.04 -0.08 -0.06 -0.04 1.64 1.42 2fbwN1 LEU 506 HG -0.04 0.03 0.12 -0.04 1.64 1.71 2fbwN1 LEU 506 HD13 -0.05 -0.00 0.03 -0.04 0.93 0.86 2fbwN1 LEU 506 HD23 -0.00 0.02 -0.04 -0.04 0.89 0.83 2fbwN1 LYS 507 H -0.02 0.31 0.15 -0.55 8.42 8.30 2fbwN1 LYS 507 HA -0.12 0.14 0.55 -0.75 4.32 4.14 2fbwN1 LYS 507 HB2 -0.09 0.06 -0.71 -0.04 1.87 1.10 2fbwN1 LYS 507 HB3 -0.08 -0.20 -0.33 -0.04 1.79 1.13 2fbwN1 LYS 507 HG2 -0.74 -0.07 -0.40 -0.04 1.46 0.21 2fbwN1 LYS 507 HG3 -0.33 0.15 -0.08 -0.04 1.46 1.15 2fbwN1 LYS 507 HD2 -0.12 0.25 -0.17 -0.04 1.69 1.61 2fbwN1 LYS 507 HD3 -0.12 -0.17 -0.19 -0.04 1.68 1.16 2fbwN1 LYS 507 HE2 -0.76 -0.10 -0.11 -0.04 2.99 1.98 2fbwN1 LYS 507 HE3 -0.32 0.10 -0.05 -0.04 2.99 2.67 2fbwN1 THR 508 H -0.16 0.73 0.13 -0.55 8.28 8.42 2fbwN1 THR 508 HA 0.01 -0.01 0.91 -0.75 4.39 4.54 2fbwN1 THR 508 HB -0.01 -0.20 0.08 -0.04 4.32 4.15 2fbwN1 THR 508 HG23 -0.03 -0.04 -0.11 -0.04 1.22 1.00 2fbwN1 PHE 509 H 0.23 -0.13 0.17 -0.55 8.34 8.07 2fbwN1 PHE 509 HA 0.01 0.34 0.99 -0.75 4.62 5.21 2fbwN1 PHE 509 HB2 0.00 -0.11 0.06 -0.04 3.15 3.06 2fbwN1 PHE 509 HB3 0.01 0.01 0.00 -0.04 3.06 3.04 2fbwN1 PHE 509 HD2 0.01 -0.05 -0.05 -0.04 7.28 7.15 2fbwN1 PHE 509 HE2 0.01 -0.03 -0.06 -0.04 7.38 7.25 2fbwN1 PHE 509 HZ 0.01 -0.00 -0.08 -0.04 7.32 7.21 2fbwN1 ASP 510 H 0.13 -0.10 0.18 -0.55 8.40 8.06 2fbwN1 ASP 510 HA 0.07 0.07 0.60 -0.75 4.63 4.61 2fbwN1 ASP 510 HB2 0.06 -0.05 0.18 -0.04 2.71 2.86 2fbwN1 ASP 510 HB3 0.02 -0.05 0.17 -0.04 2.70 2.80 2fbwN1 ARG 511 H 0.04 0.08 0.24 -0.55 8.46 8.26 2fbwN1 ARG 511 HA -0.14 0.39 0.82 -0.75 4.34 4.66 2fbwN1 ARG 511 HB2 0.08 -0.09 0.08 -0.04 1.90 1.93 2fbwN1 ARG 511 HB3 0.16 0.00 0.13 -0.04 1.80 2.05 2fbwN1 ARG 511 HG2 0.07 0.13 -0.04 -0.04 1.67 1.79 2fbwN1 ARG 511 HG3 0.12 -0.05 0.01 -0.04 1.67 1.71 2fbwN1 ARG 511 HD2 0.21 -0.06 -0.02 -0.04 3.22 3.30 2fbwN1 ARG 511 HD3 -0.06 0.24 -0.24 -0.04 3.22 3.11 2fbwN1 GLY 512 H 0.01 -0.10 -0.08 -0.55 8.43 7.71 2fbwN1 GLY 512 HA2 0.03 0.14 0.49 -0.51 4.01 4.16 2fbwN1 GLY 512 HA3 0.03 -0.02 0.30 -0.51 4.01 3.81 2fbwN1 ILE 513 H 0.04 -0.03 0.16 -0.55 8.25 7.87 2fbwN1 ILE 513 HA 0.00 0.22 0.85 -0.75 4.18 4.50 2fbwN1 ILE 513 HB 0.06 0.10 -0.07 -0.04 1.89 1.94 2fbwN1 ILE 513 HG12 0.17 0.17 0.09 -0.04 1.49 1.88 2fbwN1 ILE 513 HG13 0.06 -0.16 0.04 -0.04 1.21 1.11 2fbwN1 ILE 513 HG23 0.05 0.00 -0.02 -0.04 0.93 0.92 2fbwN1 ILE 513 HD13 0.07 -0.01 0.07 -0.04 0.88 0.97 2fbwN1 VAL 514 H 0.06 -0.05 0.09 -0.55 8.24 7.80 2fbwN1 VAL 514 HA 0.07 0.16 0.41 -0.75 4.13 4.02 2fbwN1 VAL 514 HB 0.11 -0.08 0.14 -0.04 2.12 2.25 2fbwN1 VAL 514 HG13 0.23 0.05 -0.09 -0.04 0.97 1.11 2fbwN1 VAL 514 HG23 0.08 -0.01 -0.04 -0.04 0.95 0.94 2fbwN1 TRP 515 H -0.04 0.63 0.31 -0.55 7.97 8.32 2fbwN1 TRP 515 HA -0.00 -0.03 0.28 -0.75 4.62 4.11 2fbwN1 TRP 515 HB2 0.01 0.06 -0.36 -0.04 3.23 2.89 2fbwN1 TRP 515 HB3 0.00 -0.06 0.22 -0.04 3.23 3.35 2fbwN1 TRP 515 HD1 0.02 0.08 -0.03 -0.04 7.22 7.25 2fbwN1 TRP 515 HE1 0.03 -0.01 -0.05 -0.04 10.20 10.13 2fbwN1 TRP 515 HE3 0.01 -0.05 0.00 -0.04 7.59 7.50 2fbwN1 TRP 515 HZ2 0.05 -0.01 -0.01 -0.04 7.44 7.44 2fbwN1 TRP 515 HZ3 0.02 -0.02 -0.01 -0.04 7.13 7.08 2fbwN1 TRP 515 HH2 0.04 -0.02 0.00 -0.04 7.19 7.17 2fbwN1 ASN 516 H -0.05 0.29 -0.34 -0.55 8.53 7.88 2fbwN1 ASN 516 HA 0.05 0.13 0.59 -0.75 4.76 4.78 2fbwN1 ASN 516 HB2 -0.01 0.09 -0.45 -0.04 2.88 2.46 2fbwN1 ASN 516 HB3 -0.07 0.02 0.08 -0.04 2.79 2.78 2fbwN1 ASN 516 HD21 -0.06 0.40 -0.12 -0.04 7.03 7.20 2fbwN1 ASN 516 HD22 -0.06 0.78 -0.13 -0.04 7.74 8.28 2fbwN1 THR 517 H 0.09 0.43 0.06 -0.55 8.28 8.31 2fbwN1 THR 517 HA -0.06 0.05 0.39 -0.75 4.39 4.02 2fbwN1 THR 517 HB 0.06 0.01 0.05 -0.04 4.32 4.40 2fbwN1 THR 517 HG23 0.25 0.05 -0.05 -0.04 1.22 1.42 2fbwN1 ASP 518 H 0.01 0.10 -0.20 -0.55 8.40 7.77 2fbwN1 ASP 518 HA 0.02 0.09 0.44 -0.75 4.63 4.42 2fbwN1 ASP 518 HB2 0.04 0.02 0.16 -0.04 2.71 2.89 2fbwN1 ASP 518 HB3 0.02 0.08 0.15 -0.04 2.70 2.90 2fbwN1 LEU 519 H -0.05 0.09 -0.27 -0.55 8.37 7.59 2fbwN1 LEU 519 HA -0.09 0.14 0.36 -0.75 4.35 4.01 2fbwN1 LEU 519 HB2 -0.11 0.14 0.05 -0.04 1.64 1.68 2fbwN1 LEU 519 HB3 -0.12 0.13 0.14 -0.04 1.64 1.75 2fbwN1 LEU 519 HG -0.19 -0.08 -0.32 -0.04 1.64 1.01 2fbwN1 LEU 519 HD13 -0.13 0.01 -0.07 -0.04 0.93 0.70 2fbwN1 LEU 519 HD23 -0.13 0.03 -0.00 -0.04 0.89 0.75 2fbwN1 VAL 520 H -0.17 0.46 0.01 -0.55 8.24 7.99 2fbwN1 VAL 520 HA -0.49 0.05 0.43 -0.75 4.13 3.37 2fbwN1 VAL 520 HB -0.19 -0.00 0.08 -0.04 2.12 1.96 2fbwN1 VAL 520 HG13 -0.41 -0.01 -0.11 -0.04 0.97 0.39 2fbwN1 VAL 520 HG23 -0.38 0.05 -0.00 -0.04 0.95 0.58 2fbwN1 GLU 521 H -0.08 0.58 -0.30 -0.55 8.60 8.26 2fbwN1 GLU 521 HA -0.01 0.01 0.52 -0.75 4.29 4.06 2fbwN1 GLU 521 HB2 -0.00 0.13 0.12 -0.04 2.09 2.29 2fbwN1 GLU 521 HB3 0.02 -0.04 0.04 -0.04 1.99 1.97 2fbwN1 GLU 521 HG2 0.03 -0.03 0.01 -0.04 2.34 2.31 2fbwN1 GLU 521 HG3 -0.00 0.00 0.05 -0.04 2.34 2.34 2fbwN1 THR 522 H -0.07 0.38 -0.38 -0.55 8.28 7.67 2fbwN1 THR 522 HA -0.01 0.02 0.54 -0.75 4.39 4.18 2fbwN1 THR 522 HB -0.07 0.12 0.11 -0.04 4.32 4.45 2fbwN1 THR 522 HG23 -0.04 -0.01 -0.00 -0.04 1.22 1.13 2fbwN1 LEU 523 H -0.13 0.48 -0.01 -0.55 8.37 8.16 2fbwN1 LEU 523 HA -0.03 0.07 0.50 -0.75 4.35 4.14 2fbwN1 LEU 523 HB2 -0.37 0.09 0.19 -0.04 1.64 1.51 2fbwN1 LEU 523 HB3 -0.01 -0.02 -0.02 -0.04 1.64 1.54 2fbwN1 LEU 523 HG -0.17 0.09 0.01 -0.04 1.64 1.52 2fbwN1 LEU 523 HD13 -0.43 -0.02 -0.05 -0.04 0.93 0.39 2fbwN1 LEU 523 HD23 -0.03 0.00 -0.03 -0.04 0.89 0.79 2fbwN1 GLU 524 H -0.01 0.57 -0.13 -0.55 8.60 8.49 2fbwN1 GLU 524 HA 0.17 -0.02 0.43 -0.75 4.29 4.12 2fbwN1 GLU 524 HB2 0.07 0.12 0.12 -0.04 2.09 2.35 2fbwN1 GLU 524 HB3 0.10 -0.05 0.01 -0.04 1.99 2.02 2fbwN1 GLU 524 HG2 0.31 -0.11 0.02 -0.04 2.34 2.52 2fbwN1 GLU 524 HG3 0.21 0.16 0.06 -0.04 2.34 2.72 2fbwN1 LEU 525 H 0.02 0.38 -0.40 -0.55 8.37 7.82 2fbwN1 LEU 525 HA 0.04 0.01 0.44 -0.75 4.35 4.09 2fbwN1 LEU 525 HB2 0.03 0.00 0.11 -0.04 1.64 1.74 2fbwN1 LEU 525 HB3 0.01 0.15 0.20 -0.04 1.64 1.95 2fbwN1 LEU 525 HG 0.02 0.04 -0.30 -0.04 1.64 1.35 2fbwN1 LEU 525 HD13 0.04 -0.02 -0.04 -0.04 0.93 0.87 2fbwN1 LEU 525 HD23 0.01 0.00 -0.02 -0.04 0.89 0.85 2fbwN1 GLN 526 H 0.02 0.48 -0.14 -0.55 8.47 8.28 2fbwN1 GLN 526 HA 0.04 0.04 0.41 -0.75 4.36 4.10 2fbwN1 GLN 526 HB2 0.03 0.16 0.17 -0.04 2.15 2.47 2fbwN1 GLN 526 HB3 0.04 -0.04 -0.02 -0.04 2.02 1.96 2fbwN1 GLN 526 HG2 -0.04 0.00 0.03 -0.04 2.40 2.35 2fbwN1 GLN 526 HG3 -0.02 0.11 0.08 -0.04 2.39 2.52 2fbwN1 GLN 526 HE21 -0.03 -0.03 -0.03 -0.04 6.97 6.83 2fbwN1 GLN 526 HE22 -0.06 0.04 -0.02 -0.04 7.69 7.60 2fbwN1 ASN 527 H 0.06 0.43 -0.26 -0.55 8.53 8.22 2fbwN1 ASN 527 HA 0.02 -0.02 0.44 -0.75 4.76 4.45 2fbwN1 ASN 527 HB2 0.07 0.13 0.15 -0.04 2.88 3.19 2fbwN1 ASN 527 HB3 0.01 -0.06 -0.17 -0.04 2.79 2.54 2fbwN1 ASN 527 HD21 0.19 0.04 -0.05 -0.04 7.03 7.17 2fbwN1 ASN 527 HD22 0.15 -0.12 -0.05 -0.04 7.74 7.68 2fbwN1 LEU 528 H 0.04 0.78 0.01 -0.55 8.37 8.65 2fbwN1 LEU 528 HA 0.01 -0.07 0.29 -0.75 4.35 3.83 2fbwN1 LEU 528 HB2 0.05 0.10 0.16 -0.04 1.64 1.91 2fbwN1 LEU 528 HB3 0.05 -0.03 -0.08 -0.04 1.64 1.54 2fbwN1 LEU 528 HG 0.06 0.11 0.06 -0.04 1.64 1.83 2fbwN1 LEU 528 HD13 0.06 0.00 -0.18 -0.04 0.93 0.77 2fbwN1 LEU 528 HD23 0.09 -0.03 -0.20 -0.04 0.89 0.71 2fbwN1 MET 529 H 0.05 0.66 -0.24 -0.55 8.47 8.39 2fbwN1 MET 529 HA 0.05 -0.02 0.39 -0.75 4.52 4.18 2fbwN1 MET 529 HB2 0.15 0.15 0.10 -0.04 2.15 2.51 2fbwN1 MET 529 HB3 0.29 -0.03 -0.07 -0.04 2.03 2.18 2fbwN1 MET 529 HG2 0.07 0.07 0.01 -0.04 2.63 2.73 2fbwN1 MET 529 HG3 0.09 0.01 -0.08 -0.04 2.56 2.54 2fbwN1 MET 529 HE3 0.19 0.00 -0.02 -0.04 2.10 2.23 2fbwN1 LEU 530 H 0.02 0.48 -0.24 -0.55 8.37 8.10 2fbwN1 LEU 530 HA -0.11 0.05 0.45 -0.75 4.35 3.98 2fbwN1 LEU 530 HB2 -0.04 0.10 0.13 -0.04 1.64 1.78 2fbwN1 LEU 530 HB3 -0.08 -0.08 -0.04 -0.04 1.64 1.40 2fbwN1 LEU 530 HG 0.10 0.24 0.07 -0.04 1.64 2.01 2fbwN1 LEU 530 HD13 0.01 -0.03 -0.03 -0.04 0.93 0.84 2fbwN1 LEU 530 HD23 -0.06 -0.01 -0.07 -0.04 0.89 0.70 2fbwN1 CYS 531 H -0.13 0.46 -0.26 -0.55 8.50 8.02 2fbwN1 CYS 531 HA -0.34 -0.02 0.35 -0.75 4.58 3.82 2fbwN1 CYS 531 HB2 -0.34 0.21 0.11 -0.04 2.97 2.92 2fbwN1 CYS 531 HB3 -1.44 -0.09 -0.07 -0.04 2.97 1.33 2fbwN1 ALA 532 H -0.08 0.76 -0.01 -0.55 8.40 8.52 2fbwN1 ALA 532 HA 0.01 -0.02 0.32 -0.75 4.34 3.89 2fbwN1 ALA 532 HB3 -0.01 0.02 0.04 -0.04 1.41 1.42 2fbwN1 LEU 533 H -0.04 0.65 -0.21 -0.55 8.37 8.22 2fbwN1 LEU 533 HA 0.09 0.00 0.34 -0.75 4.35 4.03 2fbwN1 LEU 533 HB2 -0.11 0.10 0.10 -0.04 1.64 1.68 2fbwN1 LEU 533 HB3 -0.05 -0.04 -0.08 -0.04 1.64 1.43 2fbwN1 LEU 533 HG -0.05 0.11 0.03 -0.04 1.64 1.69 2fbwN1 LEU 533 HD13 -0.57 0.02 -0.04 -0.04 0.93 0.30 2fbwN1 LEU 533 HD23 0.08 -0.01 -0.12 -0.04 0.89 0.80 2fbwN1 GLN 534 H -0.06 0.45 -0.28 -0.55 8.47 8.04 2fbwN1 GLN 534 HA 0.02 -0.00 0.34 -0.75 4.36 3.97 2fbwN1 GLN 534 HB2 -0.10 0.17 0.06 -0.04 2.15 2.24 2fbwN1 GLN 534 HB3 -0.06 -0.14 -0.11 -0.04 2.02 1.67 2fbwN1 GLN 534 HG2 -0.07 -0.07 -0.13 -0.04 2.40 2.09 2fbwN1 GLN 534 HG3 -0.09 0.09 -0.06 -0.04 2.39 2.28 2fbwN1 GLN 534 HE21 -0.13 -0.06 -0.17 -0.04 6.97 6.57 2fbwN1 GLN 534 HE22 -0.13 0.42 -0.19 -0.04 7.69 7.74 2fbwN1 THR 535 H -0.01 0.55 -0.29 -0.55 8.28 7.99 2fbwN1 THR 535 HA 0.04 -0.14 0.03 -0.75 4.39 3.56 2fbwN1 THR 535 HB 0.07 0.13 0.09 -0.04 4.32 4.56 2fbwN1 THR 535 HG23 0.15 0.02 -0.17 -0.04 1.22 1.17 2fbwN1 ILE 536 H 0.02 0.62 -0.11 -0.55 8.25 8.23 2fbwN1 ILE 536 HA -0.01 0.07 0.45 -0.75 4.18 3.93 2fbwN1 ILE 536 HB -0.03 0.03 0.03 -0.04 1.89 1.88 2fbwN1 ILE 536 HG12 -0.15 0.01 -0.07 -0.04 1.49 1.24 2fbwN1 ILE 536 HG13 -0.02 -0.01 0.04 -0.04 1.21 1.18 2fbwN1 ILE 536 HG23 -0.14 0.04 -0.05 -0.04 0.93 0.74 2fbwN1 ILE 536 HD13 -0.03 0.01 -0.19 -0.04 0.88 0.63 2fbwN1 TYR 537 H 0.13 0.65 -0.08 -0.55 8.29 8.44 2fbwN1 TYR 537 HA -0.01 0.03 0.41 -0.75 4.56 4.24 2fbwN1 TYR 537 HB2 -0.03 0.11 0.10 -0.04 3.06 3.20 2fbwN1 TYR 537 HB3 -0.01 -0.04 -0.09 -0.04 2.98 2.81 2fbwN1 TYR 537 HD2 -0.02 0.15 0.05 -0.04 7.15 7.28 2fbwN1 TYR 537 HE2 -0.03 0.00 0.01 -0.04 6.85 6.80 2fbwN1 GLY 538 H 0.08 0.54 -0.21 -0.55 8.43 8.29 2fbwN1 GLY 538 HA2 0.06 0.00 0.36 -0.51 4.01 3.92 2fbwN1 GLY 538 HA3 0.00 -0.01 0.25 -0.51 4.01 3.74 2fbwN1 ALA 539 H -0.06 0.49 -0.26 -0.55 8.40 8.02 2fbwN1 ALA 539 HA -0.35 -0.00 0.42 -0.75 4.34 3.65 2fbwN1 ALA 539 HB3 0.03 0.03 0.10 -0.04 1.41 1.53 2fbwN1 GLU 540 H -0.05 0.50 -0.18 -0.55 8.60 8.32 2fbwN1 GLU 540 HA -0.02 -0.05 0.33 -0.75 4.29 3.80 2fbwN1 GLU 540 HB2 -0.10 0.04 0.04 -0.04 2.09 2.03 2fbwN1 GLU 540 HB3 -0.06 0.10 0.07 -0.04 1.99 2.07 2fbwN1 GLU 540 HG2 -0.02 -0.06 0.03 -0.04 2.34 2.26 2fbwN1 GLU 540 HG3 -0.07 -0.06 -0.08 -0.04 2.34 2.09 2fbwN1 ALA 541 H -0.02 0.38 -0.34 -0.55 8.40 7.87 2fbwN1 ALA 541 HA 0.02 0.03 0.52 -0.75 4.34 4.16 2fbwN1 ALA 541 HB3 0.18 -0.01 0.04 -0.04 1.41 1.58 2fbwN1 ARG 542 H -0.27 0.42 -0.14 -0.55 8.46 7.92 2fbwN1 ARG 542 HA -1.92 -0.00 0.48 -0.75 4.34 2.14 2fbwN1 ARG 542 HB2 -0.45 -0.03 0.09 -0.04 1.90 1.47 2fbwN1 ARG 542 HB3 -0.55 0.07 0.21 -0.04 1.80 1.50 2fbwN1 ARG 542 HG2 -0.32 0.02 -0.17 -0.04 1.67 1.16 2fbwN1 ARG 542 HG3 -0.80 0.00 -0.07 -0.04 1.67 0.75 2fbwN1 ARG 542 HD2 -0.64 -0.03 -0.03 -0.04 3.22 2.48 2fbwN1 ARG 542 HD3 0.12 -0.03 -0.07 -0.04 3.22 3.20 2fbwN1 LYS 543 H -1.44 0.24 0.15 -0.55 8.42 6.82 2fbwN1 LYS 543 HA -0.53 0.12 0.63 -0.75 4.32 3.78 2fbwN1 LYS 543 HB2 -0.43 0.00 0.20 -0.04 1.87 1.60 2fbwN1 LYS 543 HB3 -1.88 -0.08 0.13 -0.04 1.79 -0.08 2fbwN1 LYS 543 HG2 -0.49 -0.08 -0.07 -0.04 1.46 0.79 2fbwN1 LYS 543 HG3 -0.33 0.22 -0.18 -0.04 1.46 1.13 2fbwN1 LYS 543 HD2 -0.05 0.03 0.05 -0.04 1.69 1.69 2fbwN1 LYS 543 HD3 -0.29 -0.08 0.03 -0.04 1.68 1.30 2fbwN1 LYS 543 HE2 0.06 -0.07 0.02 -0.04 2.99 2.96 2fbwN1 LYS 543 HE3 0.05 -0.08 0.01 -0.04 2.99 2.93 2fbwN1 GLU 544 H -0.24 0.68 0.04 -0.55 8.60 8.53 2fbwN1 GLU 544 HA 0.06 0.08 0.47 -0.75 4.29 4.15 2fbwN1 GLU 544 HB2 0.11 -0.01 0.23 -0.04 2.09 2.38 2fbwN1 GLU 544 HB3 -0.04 0.07 -0.12 -0.04 1.99 1.85 2fbwN1 GLU 544 HG2 -0.38 -0.04 -0.27 -0.04 2.34 1.60 2fbwN1 GLU 544 HG3 0.03 0.05 -0.56 -0.04 2.34 1.81 2fbwN1 SER 545 H 0.09 0.40 -0.06 -0.55 8.46 8.34 2fbwN1 SER 545 HA -0.00 0.24 0.90 -0.75 4.49 4.87 2fbwN1 SER 545 HB2 0.08 0.03 -0.07 -0.04 3.95 3.95 2fbwN1 SER 545 HB3 0.06 0.01 0.09 -0.04 3.93 4.05 2fbwN1 ARG 546 H 0.22 0.64 0.17 -0.55 8.46 8.94 2fbwN1 ARG 546 HA 0.19 0.03 0.72 -0.75 4.34 4.52 2fbwN1 ARG 546 HB2 0.24 0.01 -0.19 -0.04 1.90 1.91 2fbwN1 ARG 546 HB3 0.41 -0.01 0.03 -0.04 1.80 2.19 2fbwN1 ARG 546 HG2 0.15 -0.08 -0.13 -0.04 1.67 1.57 2fbwN1 ARG 546 HG3 0.19 0.02 0.10 -0.04 1.67 1.93 2fbwN1 ARG 546 HD2 0.14 -0.05 -0.06 -0.04 3.22 3.22 2fbwN1 ARG 546 HD3 0.10 0.08 -0.07 -0.04 3.22 3.28 2fbwN1 GLY 547 H 0.16 0.10 0.07 -0.55 8.43 8.22 2fbwN1 GLY 547 HA2 0.12 -0.04 0.27 -0.51 4.01 3.85 2fbwN1 GLY 547 HA3 0.15 0.03 0.25 -0.51 4.01 3.94 2fbwN1 ALA 548 H 0.24 0.67 0.35 -0.55 8.40 9.11 2fbwN1 ALA 548 HA 0.10 -0.02 0.44 -0.75 4.34 4.11 2fbwN1 ALA 548 HB3 0.22 -0.02 0.12 -0.04 1.41 1.69 2fbwN1 HIS 549 H 0.34 0.48 -0.21 -0.55 8.41 8.47 2fbwN1 HIS 549 HA -0.04 0.15 0.76 -0.75 4.63 4.74 2fbwN1 HIS 549 HB2 -0.50 -0.05 0.04 -0.04 3.26 2.71 2fbwN1 HIS 549 HB3 -0.04 -0.02 0.21 -0.04 3.20 3.31 2fbwN1 HIS 549 HD2 -0.15 -0.05 -0.04 -0.04 6.97 6.69 2fbwN1 HIS 549 HE1 -0.13 -0.02 0.02 -0.04 7.75 7.57 2fbwN1 ALA 550 H -0.18 0.35 0.19 -0.55 8.40 8.21 2fbwN1 ALA 550 HA -0.08 0.08 0.93 -0.75 4.34 4.51 2fbwN1 ALA 550 HB3 -0.12 0.05 0.06 -0.04 1.41 1.37 2fbwN1 ARG 551 H -0.08 0.28 0.06 -0.55 8.46 8.17 2fbwN1 ARG 551 HA -0.07 0.28 0.89 -0.75 4.34 4.69 2fbwN1 ARG 551 HB2 0.02 0.30 -0.04 -0.04 1.90 2.13 2fbwN1 ARG 551 HB3 0.09 -0.31 -0.02 -0.04 1.80 1.52 2fbwN1 ARG 551 HG2 -0.54 0.01 -0.17 -0.04 1.67 0.93 2fbwN1 ARG 551 HG3 -0.08 0.12 0.10 -0.04 1.67 1.77 2fbwN1 ARG 551 HD2 -0.08 -0.08 -0.22 -0.04 3.22 2.80 2fbwN1 ARG 551 HD3 -0.02 0.24 -0.10 -0.04 3.22 3.30 2fbwN1 GLU 552 H 0.02 0.67 0.31 -0.55 8.60 9.06 2fbwN1 GLU 552 HA 0.01 0.15 0.57 -0.75 4.29 4.27 2fbwN1 GLU 552 HB2 -0.03 -0.02 0.06 -0.04 2.09 2.06 2fbwN1 GLU 552 HB3 -0.07 0.01 0.11 -0.04 1.99 1.99 2fbwN1 GLU 552 HG2 0.00 0.02 -0.08 -0.04 2.34 2.24 2fbwN1 GLU 552 HG3 0.09 0.05 -0.02 -0.04 2.34 2.43 2fbwN1 ASP 553 H -0.00 0.03 -0.24 -0.55 8.40 7.64 2fbwN1 ASP 553 HA -0.16 0.21 0.78 -0.75 4.63 4.71 2fbwN1 ASP 553 HB2 -0.30 0.07 0.11 -0.04 2.71 2.56 2fbwN1 ASP 553 HB3 -0.09 -0.03 0.08 -0.04 2.70 2.62 2fbwN1 TYR 554 H 0.05 0.13 -0.51 -0.55 8.29 7.41 2fbwN1 TYR 554 HA 0.01 0.12 0.59 -0.75 4.56 4.53 2fbwN1 TYR 554 HB2 -0.05 -0.02 -0.09 -0.04 3.06 2.86 2fbwN1 TYR 554 HB3 -0.01 0.12 -0.26 -0.04 2.98 2.78 2fbwN1 TYR 554 HD2 0.00 -0.06 -0.09 -0.04 7.15 6.97 2fbwN1 TYR 554 HE2 0.03 -0.04 -0.00 -0.04 6.85 6.79 2fbwN1 LYS 555 H 0.03 0.15 -0.12 -0.55 8.42 7.92 2fbwN1 LYS 555 HA 0.06 0.20 0.47 -0.75 4.32 4.30 2fbwN1 LYS 555 HB2 0.04 -0.03 0.00 -0.04 1.87 1.84 2fbwN1 LYS 555 HB3 0.05 -0.02 0.10 -0.04 1.79 1.88 2fbwN1 LYS 555 HG2 0.02 0.06 0.04 -0.04 1.46 1.55 2fbwN1 LYS 555 HG3 -0.01 -0.01 -0.10 -0.04 1.46 1.30 2fbwN1 LYS 555 HD2 0.00 -0.03 -0.00 -0.04 1.69 1.62 2fbwN1 LYS 555 HD3 0.02 -0.03 0.02 -0.04 1.68 1.64 2fbwN1 LYS 555 HE2 -0.04 0.08 0.06 -0.04 2.99 3.05 2fbwN1 LYS 555 HE3 -0.03 -0.05 0.03 -0.04 2.99 2.89 2fbwN1 LEU 556 H 0.11 0.07 -0.22 -0.55 8.37 7.78 2fbwN1 LEU 556 HA 0.09 0.19 0.93 -0.75 4.35 4.80 2fbwN1 LEU 556 HB2 0.11 0.02 -0.05 -0.04 1.64 1.68 2fbwN1 LEU 556 HB3 0.09 0.04 0.05 -0.04 1.64 1.78 2fbwN1 LEU 556 HG 0.07 -0.10 -0.06 -0.04 1.64 1.51 2fbwN1 LEU 556 HD13 0.06 0.01 -0.02 -0.04 0.93 0.94 2fbwN1 LEU 556 HD23 0.06 0.03 -0.11 -0.04 0.89 0.82 2fbwN1 ARG 557 H 0.11 0.08 0.24 -0.55 8.46 8.34 2fbwN1 ARG 557 HA 0.15 0.20 0.67 -0.75 4.34 4.60 2fbwN1 ARG 557 HB2 0.14 0.06 0.25 -0.04 1.90 2.31 2fbwN1 ARG 557 HB3 0.12 -0.11 0.19 -0.04 1.80 1.97 2fbwN1 ARG 557 HG2 0.17 -0.06 -0.16 -0.04 1.67 1.58 2fbwN1 ARG 557 HG3 0.18 0.07 0.10 -0.04 1.67 1.98 2fbwN1 ARG 557 HD2 0.22 0.12 0.06 -0.04 3.22 3.58 2fbwN1 ARG 557 HD3 0.18 -0.05 0.10 -0.04 3.22 3.41 2fbwN1 ILE 558 H 0.22 0.20 0.09 -0.55 8.25 8.21 2fbwN1 ILE 558 HA 0.15 0.14 0.95 -0.75 4.18 4.67 2fbwN1 ILE 558 HB 0.40 -0.03 0.17 -0.04 1.89 2.38 2fbwN1 ILE 558 HG12 0.16 -0.01 -0.12 -0.04 1.49 1.48 2fbwN1 ILE 558 HG13 0.18 0.02 -0.35 -0.04 1.21 1.03 2fbwN1 ILE 558 HG23 0.16 -0.01 -0.03 -0.04 0.93 1.01 2fbwN1 ILE 558 HD13 0.26 0.03 0.05 -0.04 0.88 1.18 2fbwN1 ASP 559 H 0.11 0.21 0.15 -0.55 8.40 8.33 2fbwN1 ASP 559 HA 0.07 0.09 0.76 -0.75 4.63 4.80 2fbwN1 ASP 559 HB2 0.22 0.30 0.21 -0.04 2.71 3.40 2fbwN1 ASP 559 HB3 0.21 -0.13 0.22 -0.04 2.70 2.96 2fbwN1 GLU 560 H -0.24 0.13 0.19 -0.55 8.60 8.14 2fbwN1 GLU 560 HA -0.69 0.17 0.48 -0.75 4.29 3.49 2fbwN1 GLU 560 HB2 -0.53 0.08 0.12 -0.04 2.09 1.72 2fbwN1 GLU 560 HB3 -0.81 0.02 0.13 -0.04 1.99 1.29 2fbwN1 GLU 560 HG2 -0.32 0.01 -0.21 -0.04 2.34 1.78 2fbwN1 GLU 560 HG3 -0.18 0.01 -0.02 -0.04 2.34 2.11 2fbwN1 PHE 561 H -0.04 0.07 -0.17 -0.55 8.34 7.65 2fbwN1 PHE 561 HA -0.19 0.24 0.62 -0.75 4.62 4.55 2fbwN1 PHE 561 HB2 -1.13 -0.06 -0.14 -0.04 3.15 1.78 2fbwN1 PHE 561 HB3 -0.56 0.04 -0.13 -0.04 3.06 2.37 2fbwN1 PHE 561 HD2 -0.18 -0.02 -0.13 -0.04 7.28 6.91 2fbwN1 PHE 561 HE2 -0.05 0.02 -0.17 -0.04 7.38 7.13 2fbwN1 PHE 561 HZ -0.04 -0.01 -0.04 -0.04 7.32 7.19 2fbwN1 ASP 562 H 0.00 0.24 -0.01 -0.55 8.40 8.09 2fbwN1 ASP 562 HA 0.03 0.15 0.72 -0.75 4.63 4.78 2fbwN1 ASP 562 HB2 0.01 0.09 0.07 -0.04 2.71 2.83 2fbwN1 ASP 562 HB3 -0.02 0.04 0.19 -0.04 2.70 2.87 2fbwN1 TYR 563 H 0.18 0.25 -0.06 -0.55 8.29 8.11 2fbwN1 TYR 563 HA -0.06 0.22 0.43 -0.75 4.56 4.40 2fbwN1 TYR 563 HB2 -0.14 -0.04 -0.12 -0.04 3.06 2.72 2fbwN1 TYR 563 HB3 -0.16 0.10 0.02 -0.04 2.98 2.90 2fbwN1 TYR 563 HD2 -0.09 0.05 -0.03 -0.04 7.15 7.03 2fbwN1 TYR 563 HE2 -0.03 -0.08 0.00 -0.04 6.85 6.70 2fbwN1 SER 564 H 0.03 0.02 -0.58 -0.55 8.46 7.39 2fbwN1 SER 564 HA 0.02 0.12 0.69 -0.75 4.49 4.56 2fbwN1 SER 564 HB2 0.02 0.01 0.10 -0.04 3.95 4.04 2fbwN1 SER 564 HB3 0.03 -0.05 0.02 -0.04 3.93 3.89 2fbwN1 LYS 565 H -0.02 0.33 -0.18 -0.55 8.42 8.00 2fbwN1 LYS 565 HA -0.02 0.17 0.81 -0.75 4.32 4.53 2fbwN1 LYS 565 HB2 -0.04 0.03 0.00 -0.04 1.87 1.83 2fbwN1 LYS 565 HB3 -0.03 0.07 0.10 -0.04 1.79 1.89 2fbwN1 LYS 565 HG2 -0.01 0.04 -0.05 -0.04 1.46 1.41 2fbwN1 LYS 565 HG3 -0.00 -0.14 -0.31 -0.04 1.46 0.97 2fbwN1 LYS 565 HD2 -0.01 -0.03 -0.02 -0.04 1.69 1.59 2fbwN1 LYS 565 HD3 -0.01 0.04 -0.01 -0.04 1.68 1.66 2fbwN1 LYS 565 HE2 0.00 0.01 -0.03 -0.04 2.99 2.93 2fbwN1 LYS 565 HE3 0.01 -0.04 -0.05 -0.04 2.99 2.87 2fbwN1 PRO 566 HA -0.07 0.03 0.50 -0.51 4.44 4.39 2fbwN1 PRO 566 HB2 -0.05 0.07 0.07 -0.04 2.28 2.32 2fbwN1 PRO 566 HB3 -0.05 -0.02 0.11 -0.04 2.02 2.01 2fbwN1 PRO 566 HG2 -0.03 0.04 0.08 -0.04 2.03 2.08 2fbwN1 PRO 566 HG3 -0.03 0.05 0.05 -0.04 2.03 2.06 2fbwN1 PRO 566 HD2 -0.03 0.11 0.19 -0.04 3.68 3.91 2fbwN1 PRO 566 HD3 -0.03 0.14 0.21 -0.04 3.65 3.93 2fbwN1 LEU 567 H -0.15 0.12 0.17 -0.55 8.37 7.97 2fbwN1 LEU 567 HA -0.30 0.13 0.39 -0.75 4.35 3.81 2fbwN1 LEU 567 HB2 -0.27 -0.03 0.07 -0.04 1.64 1.38 2fbwN1 LEU 567 HB3 -0.60 -0.01 0.04 -0.04 1.64 1.03 2fbwN1 LEU 567 HG -0.26 0.06 0.05 -0.04 1.64 1.45 2fbwN1 LEU 567 HD13 -0.34 -0.00 -0.02 -0.04 0.93 0.53 2fbwN1 LEU 567 HD23 -0.87 0.02 -0.15 -0.04 0.89 -0.15 2fbwN1 GLN 568 H -0.11 0.00 -0.23 -0.55 8.47 7.58 2fbwN1 GLN 568 HA -0.09 -0.02 0.39 -0.75 4.36 3.89 2fbwN1 GLN 568 HB2 -0.06 -0.03 0.09 -0.04 2.15 2.11 2fbwN1 GLN 568 HB3 -0.06 0.03 0.06 -0.04 2.02 2.01 2fbwN1 GLN 568 HG2 -0.03 -0.00 -0.03 -0.04 2.40 2.29 2fbwN1 GLN 568 HG3 -0.04 0.05 -0.24 -0.04 2.39 2.12 2fbwN1 GLN 568 HE21 -0.03 -0.00 0.00 -0.04 6.97 6.90 2fbwN1 GLN 568 HE22 -0.03 0.04 -0.11 -0.04 7.69 7.56 2fbwN1 GLY 569 H -0.05 0.10 0.23 -0.55 8.43 8.16 2fbwN1 GLY 569 HA2 -0.02 -0.03 0.35 -0.51 4.01 3.81 2fbwN1 GLY 569 HA3 -0.02 0.08 0.52 -0.51 4.01 4.08 2fbwN1 GLN 570 H -0.07 0.58 -0.23 -0.55 8.47 8.20 2fbwN1 GLN 570 HA 0.02 0.06 0.50 -0.75 4.36 4.19 2fbwN1 GLN 570 HB2 -0.14 0.12 0.11 -0.04 2.15 2.20 2fbwN1 GLN 570 HB3 0.18 -0.05 -0.09 -0.04 2.02 2.02 2fbwN1 GLN 570 HG2 -0.01 -0.03 -0.03 -0.04 2.40 2.28 2fbwN1 GLN 570 HG3 -0.09 0.22 -0.07 -0.04 2.39 2.41 2fbwN1 GLN 570 HE21 -0.16 0.24 -0.16 -0.04 6.97 6.85 2fbwN1 GLN 570 HE22 -0.15 0.34 -0.64 -0.04 7.69 7.19 2fbwN1 GLN 571 H 0.07 0.15 0.13 -0.55 8.47 8.27 2fbwN1 GLN 571 HA 0.08 0.10 0.79 -0.75 4.36 4.58 2fbwN1 GLN 571 HB2 0.03 0.01 0.06 -0.04 2.15 2.21 2fbwN1 GLN 571 HB3 0.02 -0.03 0.16 -0.04 2.02 2.14 2fbwN1 GLN 571 HG2 0.01 -0.05 -0.02 -0.04 2.40 2.30 2fbwN1 GLN 571 HG3 -0.00 0.15 -0.29 -0.04 2.39 2.21 2fbwN1 GLN 571 HE21 0.01 -0.07 0.02 -0.04 6.97 6.89 2fbwN1 GLN 571 HE22 -0.00 0.14 -0.02 -0.04 7.69 7.77 2fbwN1 LYS 572 H 0.09 0.11 0.10 -0.55 8.42 8.17 2fbwN1 LYS 572 HA -0.73 0.13 0.43 -0.75 4.32 3.41 2fbwN1 LYS 572 HB2 -0.07 -0.04 0.09 -0.04 1.87 1.81 2fbwN1 LYS 572 HB3 -0.10 -0.05 0.06 -0.04 1.79 1.66 2fbwN1 LYS 572 HG2 -0.30 0.16 -0.17 -0.04 1.46 1.11 2fbwN1 LYS 572 HG3 -1.07 0.00 0.00 -0.04 1.46 0.35 2fbwN1 LYS 572 HD2 0.01 -0.03 -0.02 -0.04 1.69 1.61 2fbwN1 LYS 572 HD3 -0.05 -0.03 -0.04 -0.04 1.68 1.53 2fbwN1 LYS 572 HE2 -0.08 0.05 -0.02 -0.04 2.99 2.90 2fbwN1 LYS 572 HE3 -0.14 -0.04 -0.02 -0.04 2.99 2.75 2fbwN1 ARG 573 H -0.37 0.61 0.34 -0.55 8.46 8.49 2fbwN1 ARG 573 HA -0.06 0.11 0.61 -0.75 4.34 4.24 2fbwN1 ARG 573 HB2 -0.07 -0.08 0.06 -0.04 1.90 1.77 2fbwN1 ARG 573 HB3 -0.01 0.04 -0.07 -0.04 1.80 1.72 2fbwN1 ARG 573 HG2 -0.04 -0.03 -0.00 -0.04 1.67 1.55 2fbwN1 ARG 573 HG3 -0.12 0.05 0.04 -0.04 1.67 1.60 2fbwN1 ARG 573 HD2 -0.04 0.19 -0.02 -0.04 3.22 3.31 2fbwN1 ARG 573 HD3 -0.00 0.12 -0.03 -0.04 3.22 3.27 2fbwN1 PRO 574 HA 0.04 0.04 0.41 -0.51 4.44 4.42 2fbwN1 PRO 574 HB2 -0.03 -0.06 -0.03 -0.04 2.28 2.11 2fbwN1 PRO 574 HB3 0.01 0.02 0.09 -0.04 2.02 2.09 2fbwN1 PRO 574 HG2 -0.02 0.05 0.06 -0.04 2.03 2.08 2fbwN1 PRO 574 HG3 -0.01 0.08 0.08 -0.04 2.03 2.14 2fbwN1 PRO 574 HD2 -0.03 0.10 0.17 -0.04 3.68 3.87 2fbwN1 PRO 574 HD3 -0.03 0.24 0.27 -0.04 3.65 4.09 2fbwN1 PHE 575 H 0.16 0.13 0.15 -0.55 8.34 8.24 2fbwN1 PHE 575 HA -0.22 0.10 0.28 -0.75 4.62 4.03 2fbwN1 PHE 575 HB2 -0.03 0.00 0.14 -0.04 3.15 3.23 2fbwN1 PHE 575 HB3 -0.08 -0.04 0.09 -0.04 3.06 2.98 2fbwN1 PHE 575 HD2 -0.03 -0.01 -0.08 -0.04 7.28 7.12 2fbwN1 PHE 575 HE2 0.04 0.00 -0.16 -0.04 7.38 7.22 2fbwN1 PHE 575 HZ 0.04 -0.09 -0.59 -0.04 7.32 6.64 2fbwN1 GLU 576 H -0.03 0.01 -0.26 -0.55 8.60 7.77 2fbwN1 GLU 576 HA -0.44 0.13 0.41 -0.75 4.29 3.64 2fbwN1 GLU 576 HB2 -0.09 -0.02 -0.05 -0.04 2.09 1.89 2fbwN1 GLU 576 HB3 -0.15 0.04 0.10 -0.04 1.99 1.94 2fbwN1 GLU 576 HG2 -0.01 0.01 0.01 -0.04 2.34 2.31 2fbwN1 GLU 576 HG3 0.00 0.04 -0.01 -0.04 2.34 2.33 2fbwN1 GLU 577 H -0.25 0.70 -0.53 -0.55 8.60 7.97 2fbwN1 GLU 577 HA -0.27 0.26 1.09 -0.75 4.29 4.61 2fbwN1 GLU 577 HB2 -0.08 0.03 0.03 -0.04 2.09 2.04 2fbwN1 GLU 577 HB3 -0.07 -0.03 0.15 -0.04 1.99 2.00 2fbwN1 GLU 577 HG2 -0.08 0.04 -0.02 -0.04 2.34 2.23 2fbwN1 GLU 577 HG3 -0.10 -0.10 -0.35 -0.04 2.34 1.74 2fbwN1 HIS 578 H -0.77 0.37 -0.14 -0.55 8.41 7.31 2fbwN1 HIS 578 HA -0.23 0.17 0.53 -0.75 4.63 4.35 2fbwN1 HIS 578 HB2 -0.08 -0.03 -0.26 -0.04 3.26 2.85 2fbwN1 HIS 578 HB3 -0.14 0.09 -0.27 -0.04 3.20 2.84 2fbwN1 HIS 578 HD2 -0.15 0.19 -0.45 -0.04 6.97 6.51 2fbwN1 HIS 578 HE1 -0.02 0.17 -0.05 -0.04 7.75 7.80 2fbwN1 TRP 579 H 0.21 0.57 0.17 -0.55 7.97 8.38 2fbwN1 TRP 579 HA -0.23 0.27 0.97 -0.75 4.62 4.87 2fbwN1 TRP 579 HB2 0.02 -0.01 0.08 -0.04 3.23 3.28 2fbwN1 TRP 579 HB3 0.01 -0.05 0.10 -0.04 3.23 3.26 2fbwN1 TRP 579 HD1 -0.05 0.01 -0.13 -0.04 7.22 7.00 2fbwN1 TRP 579 HE1 -0.16 0.04 -0.05 -0.04 10.20 9.98 2fbwN1 TRP 579 HE3 -0.18 -0.02 0.01 -0.04 7.59 7.35 2fbwN1 TRP 579 HZ2 -0.16 0.03 0.05 -0.04 7.44 7.31 2fbwN1 TRP 579 HZ3 -0.43 -0.06 -0.12 -0.04 7.13 6.48 2fbwN1 TRP 579 HH2 -0.15 -0.03 -0.12 -0.04 7.19 6.85 2fbwN1 ARG 580 H 0.53 0.08 -0.01 -0.55 8.46 8.50 2fbwN1 ARG 580 HA 0.18 0.16 0.71 -0.75 4.34 4.63 2fbwN1 ARG 580 HB2 0.15 -0.05 0.14 -0.04 1.90 2.10 2fbwN1 ARG 580 HB3 0.14 -0.09 0.26 -0.04 1.80 2.07 2fbwN1 ARG 580 HG2 0.11 -0.05 0.03 -0.04 1.67 1.72 2fbwN1 ARG 580 HG3 0.13 0.10 0.02 -0.04 1.67 1.87 2fbwN1 ARG 580 HD2 0.18 0.14 0.09 -0.04 3.22 3.59 2fbwN1 ARG 580 HD3 0.10 -0.08 0.05 -0.04 3.22 3.25 2fbwN1 LYS 581 H 0.13 0.70 0.10 -0.55 8.42 8.80 2fbwN1 LYS 581 HA 0.06 -0.06 0.58 -0.75 4.32 4.14 2fbwN1 LYS 581 HB2 0.14 0.09 -0.09 -0.04 1.87 1.97 2fbwN1 LYS 581 HB3 -0.17 0.03 -0.32 -0.04 1.79 1.29 2fbwN1 LYS 581 HG2 -0.19 -0.04 -0.34 -0.04 1.46 0.86 2fbwN1 LYS 581 HG3 -0.00 0.02 -0.33 -0.04 1.46 1.10 2fbwN1 LYS 581 HD2 -1.11 -0.11 -0.19 -0.04 1.69 0.23 2fbwN1 LYS 581 HD3 -1.38 0.06 -0.21 -0.04 1.68 0.11 2fbwN1 LYS 581 HE2 -1.40 0.07 0.04 -0.04 2.99 1.66 2fbwN1 LYS 581 HE3 -1.73 -0.09 -0.11 -0.04 2.99 1.01 2fbwN1 HIS 582 H 0.17 0.45 0.18 -0.55 8.41 8.66 2fbwN1 HIS 582 HA 0.17 0.04 0.62 -0.75 4.63 4.71 2fbwN1 HIS 582 HB2 0.07 0.01 0.02 -0.04 3.26 3.32 2fbwN1 HIS 582 HB3 0.06 0.02 -0.05 -0.04 3.20 3.19 2fbwN1 HIS 582 HD2 0.05 0.18 -0.24 -0.04 6.97 6.92 2fbwN1 HIS 582 HE1 -0.03 0.02 0.06 -0.04 7.75 7.76 2fbwN1 THR 583 H 0.31 0.02 0.25 -0.55 8.28 8.32 2fbwN1 THR 583 HA 0.07 0.28 0.77 -0.75 4.39 4.75 2fbwN1 THR 583 HB 0.16 -0.32 0.19 -0.04 4.32 4.31 2fbwN1 THR 583 HG23 -0.02 0.02 -0.12 -0.04 1.22 1.06 2fbwN1 LEU 584 H -0.26 0.83 0.41 -0.55 8.37 8.80 2fbwN1 LEU 584 HA -0.13 0.29 0.95 -0.75 4.35 4.71 2fbwN1 LEU 584 HB2 -0.06 -0.07 -0.04 -0.04 1.64 1.44 2fbwN1 LEU 584 HB3 -0.16 0.04 -0.02 -0.04 1.64 1.45 2fbwN1 LEU 584 HG -0.04 -0.03 -0.37 -0.04 1.64 1.16 2fbwN1 LEU 584 HD13 0.00 -0.01 -0.24 -0.04 0.93 0.64 2fbwN1 LEU 584 HD23 -0.09 0.02 -0.14 -0.04 0.89 0.64 2fbwN1 SER 585 H -0.25 0.53 0.34 -0.55 8.46 8.54 2fbwN1 SER 585 HA -0.06 0.36 1.15 -0.75 4.49 5.19 2fbwN1 SER 585 HB2 -0.06 0.05 0.03 -0.04 3.95 3.92 2fbwN1 SER 585 HB3 -0.06 -0.03 -0.13 -0.04 3.93 3.67 2fbwN1 TYR 586 H 0.09 0.50 0.39 -0.55 8.29 8.71 2fbwN1 TYR 586 HA -0.06 0.24 0.82 -0.75 4.56 4.80 2fbwN1 TYR 586 HB2 -0.06 -0.09 -0.01 -0.04 3.06 2.86 2fbwN1 TYR 586 HB3 -0.05 0.05 -0.02 -0.04 2.98 2.92 2fbwN1 TYR 586 HD2 -0.05 0.16 -0.22 -0.04 7.15 7.00 2fbwN1 TYR 586 HE2 -0.03 0.01 -0.13 -0.04 6.85 6.66 2fbwN1 VAL 587 H 0.04 0.34 0.15 -0.55 8.24 8.22 2fbwN1 VAL 587 HA -0.07 0.35 1.00 -0.75 4.13 4.65 2fbwN1 VAL 587 HB -0.08 -0.03 -0.09 -0.04 2.12 1.89 2fbwN1 VAL 587 HG13 -0.21 0.03 -0.36 -0.04 0.97 0.39 2fbwN1 VAL 587 HG23 -0.11 0.01 -0.27 -0.04 0.95 0.53 2fbwN1 ASP 588 H -0.07 0.67 0.12 -0.55 8.40 8.57 2fbwN1 ASP 588 HA -0.01 0.13 0.69 -0.75 4.63 4.69 2fbwN1 ASP 588 HB2 -0.04 0.11 0.10 -0.04 2.71 2.84 2fbwN1 ASP 588 HB3 -0.04 -0.13 0.27 -0.04 2.70 2.76 2fbwN1 VAL 589 H 0.01 0.29 0.10 -0.55 8.24 8.08 2fbwN1 VAL 589 HA 0.05 0.11 0.22 -0.75 4.13 3.76 2fbwN1 VAL 589 HB 0.03 -0.01 0.12 -0.04 2.12 2.21 2fbwN1 VAL 589 HG13 0.08 0.01 -0.10 -0.04 0.97 0.93 2fbwN1 VAL 589 HG23 0.02 0.05 -0.05 -0.04 0.95 0.92 2fbwN1 LYS 590 H 0.03 0.01 -0.19 -0.55 8.42 7.72 2fbwN1 LYS 590 HA 0.05 0.16 0.43 -0.75 4.32 4.21 2fbwN1 LYS 590 HB2 0.02 -0.09 0.07 -0.04 1.87 1.83 2fbwN1 LYS 590 HB3 0.02 0.05 -0.03 -0.04 1.79 1.79 2fbwN1 LYS 590 HG2 0.01 0.06 0.01 -0.04 1.46 1.50 2fbwN1 LYS 590 HG3 0.01 -0.05 0.00 -0.04 1.46 1.39 2fbwN1 LYS 590 HD2 0.00 -0.02 0.00 -0.04 1.69 1.63 2fbwN1 LYS 590 HD3 0.00 0.03 -0.01 -0.04 1.68 1.66 2fbwN1 LYS 590 HE2 -0.00 0.02 -0.01 -0.04 2.99 2.96 2fbwN1 LYS 590 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.93 2fbwN1 SER 591 H 0.04 -0.04 -0.17 -0.55 8.46 7.75 2fbwN1 SER 591 HA 0.06 0.23 0.73 -0.75 4.49 4.76 2fbwN1 SER 591 HB2 0.01 0.04 0.03 -0.04 3.95 3.99 2fbwN1 SER 591 HB3 0.01 0.00 0.03 -0.04 3.93 3.93 2fbwN1 GLY 592 H -0.00 0.74 0.11 -0.55 8.43 8.73 2fbwN1 GLY 592 HA2 -0.45 0.02 0.20 -0.51 4.01 3.27 2fbwN1 GLY 592 HA3 -0.20 0.18 0.66 -0.51 4.01 4.14 2fbwN1 LYS 593 H -0.07 -0.05 -0.12 -0.55 8.42 7.62 2fbwN1 LYS 593 HA -0.18 0.10 0.45 -0.75 4.32 3.93 2fbwN1 LYS 593 HB2 -0.06 0.02 0.04 -0.04 1.87 1.83 2fbwN1 LYS 593 HB3 -0.07 -0.12 0.10 -0.04 1.79 1.66 2fbwN1 LYS 593 HG2 -0.10 0.03 -0.42 -0.04 1.46 0.93 2fbwN1 LYS 593 HG3 -0.11 0.04 -0.02 -0.04 1.46 1.34 2fbwN1 LYS 593 HD2 -0.04 0.03 -0.04 -0.04 1.69 1.59 2fbwN1 LYS 593 HD3 -0.04 -0.03 -0.03 -0.04 1.68 1.54 2fbwN1 LYS 593 HE2 -0.05 0.03 -0.13 -0.04 2.99 2.80 2fbwN1 LYS 593 HE3 -0.04 -0.00 -0.05 -0.04 2.99 2.86 2fbwN1 VAL 594 H -0.39 0.15 0.21 -0.55 8.24 7.66 2fbwN1 VAL 594 HA -0.16 0.30 0.95 -0.75 4.13 4.47 2fbwN1 VAL 594 HB -0.69 -0.04 0.10 -0.04 2.12 1.44 2fbwN1 VAL 594 HG13 -0.07 -0.01 -0.19 -0.04 0.97 0.66 2fbwN1 VAL 594 HG23 -0.33 0.05 -0.13 -0.04 0.95 0.50 2fbwN1 THR 595 H -0.00 0.56 0.29 -0.55 8.28 8.58 2fbwN1 THR 595 HA -0.02 0.16 0.93 -0.75 4.39 4.70 2fbwN1 THR 595 HB -0.00 -0.04 0.03 -0.04 4.32 4.26 2fbwN1 THR 595 HG23 -0.06 0.00 -0.15 -0.04 1.22 0.98 2fbwN1 LEU 596 H 0.03 0.19 0.16 -0.55 8.37 8.20 2fbwN1 LEU 596 HA -0.01 0.35 1.22 -0.75 4.35 5.15 2fbwN1 LEU 596 HB2 0.08 -0.02 0.08 -0.04 1.64 1.74 2fbwN1 LEU 596 HB3 -0.12 0.05 0.05 -0.04 1.64 1.58 2fbwN1 LEU 596 HG 0.06 -0.04 -0.23 -0.04 1.64 1.38 2fbwN1 LEU 596 HD13 0.16 0.01 -0.16 -0.04 0.93 0.90 2fbwN1 LEU 596 HD23 0.01 0.01 -0.16 -0.04 0.89 0.72 2fbwN1 LYS 597 H -0.18 0.66 0.41 -0.55 8.42 8.75 2fbwN1 LYS 597 HA -0.05 0.14 0.75 -0.75 4.32 4.40 2fbwN1 LYS 597 HB2 0.15 -0.00 -0.03 -0.04 1.87 1.94 2fbwN1 LYS 597 HB3 0.11 -0.02 0.11 -0.04 1.79 1.94 2fbwN1 LYS 597 HG2 0.04 0.05 -0.02 -0.04 1.46 1.49 2fbwN1 LYS 597 HG3 0.08 -0.05 -0.48 -0.04 1.46 0.97 2fbwN1 LYS 597 HD2 0.14 0.02 -0.07 -0.04 1.69 1.74 2fbwN1 LYS 597 HD3 0.07 -0.02 -0.00 -0.04 1.68 1.69 2fbwN1 LYS 597 HE2 -0.32 -0.00 -0.11 -0.04 2.99 2.52 2fbwN1 LYS 597 HE3 -0.14 -0.02 -0.02 -0.04 2.99 2.77 2fbwN1 TYR 598 H 0.19 0.18 0.17 -0.55 8.29 8.28 2fbwN1 TYR 598 HA 0.11 0.29 1.02 -0.75 4.56 5.23 2fbwN1 TYR 598 HB2 0.09 -0.06 -0.04 -0.04 3.06 3.01 2fbwN1 TYR 598 HB3 0.01 0.06 -0.06 -0.04 2.98 2.95 2fbwN1 TYR 598 HD2 0.07 0.05 -0.24 -0.04 7.15 6.99 2fbwN1 TYR 598 HE2 0.23 -0.02 -0.13 -0.04 6.85 6.89 2fbwN1 ARG 599 H 0.24 0.52 0.22 -0.55 8.46 8.89 2fbwN1 ARG 599 HA -0.12 0.16 0.72 -0.75 4.34 4.34 2fbwN1 ARG 599 HB2 -0.52 0.03 -0.00 -0.04 1.90 1.37 2fbwN1 ARG 599 HB3 -0.77 -0.00 -0.20 -0.04 1.80 0.79 2fbwN1 ARG 599 HG2 0.01 -0.01 -0.15 -0.04 1.67 1.48 2fbwN1 ARG 599 HG3 0.13 0.00 -0.22 -0.04 1.67 1.53 2fbwN1 ARG 599 HD2 -0.16 -0.00 -0.21 -0.04 3.22 2.81 2fbwN1 ARG 599 HD3 -0.10 -0.02 -0.17 -0.04 3.22 2.89 2fbwN1 PRO 600 HA 0.34 0.10 0.62 -0.51 4.44 4.99 2fbwN1 PRO 600 HB2 0.09 -0.00 -0.01 -0.04 2.28 2.32 2fbwN1 PRO 600 HB3 0.15 0.05 0.13 -0.04 2.02 2.30 2fbwN1 PRO 600 HG2 -0.13 0.05 0.07 -0.04 2.03 1.99 2fbwN1 PRO 600 HG3 -0.48 0.05 0.03 -0.04 2.03 1.58 2fbwN1 PRO 600 HD2 0.01 0.09 0.15 -0.04 3.68 3.89 2fbwN1 PRO 600 HD3 -0.11 0.15 0.16 -0.04 3.65 3.81 2fbwN1 VAL 601 H 0.14 0.22 0.21 -0.55 8.24 8.26 2fbwN1 VAL 601 HA 0.10 0.07 0.49 -0.75 4.13 4.03 2fbwN1 VAL 601 HB 0.07 0.00 0.02 -0.04 2.12 2.17 2fbwN1 VAL 601 HG13 0.06 0.01 -0.42 -0.04 0.97 0.58 2fbwN1 VAL 601 HG23 -0.28 0.05 -0.10 -0.04 0.95 0.58 2fbwN1 ILE 602 H 0.17 0.12 0.10 -0.55 8.25 8.09 2fbwN1 ILE 602 HA 0.11 0.15 0.79 -0.75 4.18 4.48 2fbwN1 ILE 602 HB 0.13 -0.15 0.23 -0.04 1.89 2.06 2fbwN1 ILE 602 HG12 0.10 0.06 -0.02 -0.04 1.49 1.60 2fbwN1 ILE 602 HG13 0.13 0.10 -0.02 -0.04 1.21 1.38 2fbwN1 ILE 602 HG23 0.11 0.01 -0.07 -0.04 0.93 0.93 2fbwN1 ILE 602 HD13 0.10 0.00 0.04 -0.04 0.88 0.98 2fbwN1 ASP 603 H 0.12 0.19 0.17 -0.55 8.40 8.32 2fbwN1 ASP 603 HA 0.15 0.17 0.80 -0.75 4.63 4.99 2fbwN1 ASP 603 HB2 0.12 -0.00 0.06 -0.04 2.71 2.85 2fbwN1 ASP 603 HB3 0.14 -0.02 -0.01 -0.04 2.70 2.77 2fbwN1 ARG 604 H 0.11 0.03 0.04 -0.55 8.46 8.09 2fbwN1 ARG 604 HA 0.12 0.04 0.48 -0.75 4.34 4.22 2fbwN1 ARG 604 HB2 0.08 0.02 0.10 -0.04 1.90 2.06 2fbwN1 ARG 604 HB3 0.08 -0.01 0.12 -0.04 1.80 1.96 2fbwN1 ARG 604 HG2 0.08 -0.15 0.01 -0.04 1.67 1.58 2fbwN1 ARG 604 HG3 0.06 0.21 -0.18 -0.04 1.67 1.72 2fbwN1 ARG 604 HD2 0.06 0.03 -0.01 -0.04 3.22 3.26 2fbwN1 ARG 604 HD3 0.06 0.02 0.02 -0.04 3.22 3.27 2fbwN1 THR 605 H 0.13 0.04 0.10 -0.55 8.28 8.00 2fbwN1 THR 605 HA 0.22 0.17 0.33 -0.75 4.39 4.36 2fbwN1 THR 605 HB 0.31 -0.05 0.07 -0.04 4.32 4.61 2fbwN1 THR 605 HG23 0.19 0.03 -0.25 -0.04 1.22 1.16 2fbwN1 LEU 606 H 0.34 0.18 0.09 -0.55 8.37 8.43 2fbwN1 LEU 606 HA -0.14 0.19 0.63 -0.75 4.35 4.28 2fbwN1 LEU 606 HB2 -1.07 -0.01 0.02 -0.04 1.64 0.54 2fbwN1 LEU 606 HB3 -0.35 0.06 0.10 -0.04 1.64 1.41 2fbwN1 LEU 606 HG -0.44 -0.01 0.10 -0.04 1.64 1.25 2fbwN1 LEU 606 HD13 -0.42 0.01 -0.02 -0.04 0.93 0.46 2fbwN1 LEU 606 HD23 -0.81 0.01 -0.06 -0.04 0.89 -0.01 2fbwN1 ASN 607 H 0.20 0.06 -0.37 -0.55 8.53 7.87 2fbwN1 ASN 607 HA 0.06 0.12 0.41 -0.75 4.76 4.60 2fbwN1 ASN 607 HB2 0.06 0.31 -0.05 -0.04 2.88 3.17 2fbwN1 ASN 607 HB3 0.23 -0.05 -0.02 -0.04 2.79 2.91 2fbwN1 ASN 607 HD21 0.06 0.06 -0.03 -0.04 7.03 7.07 2fbwN1 ASN 607 HD22 0.09 0.07 -0.01 -0.04 7.74 7.84 2fbwN1 GLU 608 H 0.06 0.24 0.03 -0.55 8.60 8.38 2fbwN1 GLU 608 HA 0.04 0.14 0.30 -0.75 4.29 4.02 2fbwN1 GLU 608 HB2 0.05 -0.01 0.13 -0.04 2.09 2.22 2fbwN1 GLU 608 HB3 0.04 0.02 0.06 -0.04 1.99 2.07 2fbwN1 GLU 608 HG2 0.03 0.05 -0.00 -0.04 2.34 2.38 2fbwN1 GLU 608 HG3 0.02 0.06 -0.16 -0.04 2.34 2.23 2fbwN1 GLU 609 H 0.04 0.01 -0.41 -0.55 8.60 7.69 2fbwN1 GLU 609 HA 0.01 0.12 0.35 -0.75 4.29 4.02 2fbwN1 GLU 609 HB2 0.03 -0.02 -0.02 -0.04 2.09 2.04 2fbwN1 GLU 609 HB3 0.02 0.06 -0.01 -0.04 1.99 2.01 2fbwN1 GLU 609 HG2 0.02 0.05 -0.01 -0.04 2.34 2.36 2fbwN1 GLU 609 HG3 0.02 0.03 -0.04 -0.04 2.34 2.31 2fbwN1 ASP 610 H 0.05 0.19 -0.18 -0.55 8.40 7.92 2fbwN1 ASP 610 HA 0.01 0.16 0.72 -0.75 4.63 4.78 2fbwN1 ASP 610 HB2 0.10 -0.04 0.03 -0.04 2.71 2.76 2fbwN1 ASP 610 HB3 0.17 0.00 0.02 -0.04 2.70 2.86 2fbwN1 CYS 611 H -0.02 0.61 -0.10 -0.55 8.50 8.44 2fbwN1 CYS 611 HA -0.26 0.09 0.66 -0.75 4.58 4.32 2fbwN1 CYS 611 HB2 -0.36 0.02 -0.16 -0.04 2.97 2.42 2fbwN1 CYS 611 HB3 -0.59 -0.13 0.06 -0.04 2.97 2.26 2fbwN1 SER 612 H -0.08 0.12 0.03 -0.55 8.46 7.99 2fbwN1 SER 612 HA 0.02 0.02 0.73 -0.75 4.49 4.51 2fbwN1 SER 612 HB2 0.03 0.01 0.10 -0.04 3.95 4.04 2fbwN1 SER 612 HB3 -0.01 0.13 0.09 -0.04 3.93 4.10 2fbwN1 SER 613 H 0.10 0.03 0.18 -0.55 8.46 8.22 2fbwN1 SER 613 HA 0.30 0.02 0.38 -0.75 4.49 4.44 2fbwN1 SER 613 HB2 0.14 -0.14 0.14 -0.04 3.95 4.05 2fbwN1 SER 613 HB3 0.12 -0.03 0.05 -0.04 3.93 4.04 2fbwN1 VAL 614 H 0.29 0.12 0.10 -0.55 8.24 8.21 2fbwN1 VAL 614 HA 0.23 0.24 0.90 -0.75 4.13 4.75 2fbwN1 VAL 614 HB 0.26 -0.09 0.13 -0.04 2.12 2.38 2fbwN1 VAL 614 HG13 0.43 0.05 -0.09 -0.04 0.97 1.31 2fbwN1 VAL 614 HG23 0.39 -0.01 -0.05 -0.04 0.95 1.24 2fbwN1 PRO 615 HA -0.05 0.05 0.46 -0.51 4.44 4.38 2fbwN1 PRO 615 HB2 -0.12 0.11 0.02 -0.04 2.28 2.25 2fbwN1 PRO 615 HB3 0.02 -0.05 0.06 -0.04 2.02 2.00 2fbwN1 PRO 615 HG2 -0.04 0.07 0.01 -0.04 2.03 2.03 2fbwN1 PRO 615 HG3 0.01 -0.00 0.04 -0.04 2.03 2.04 2fbwN1 PRO 615 HD2 0.12 0.06 0.22 -0.04 3.68 4.04 2fbwN1 PRO 615 HD3 0.09 0.20 0.07 -0.04 3.65 3.97 2fbwN1 PRO 616 HA -3.33 0.02 0.38 -0.51 4.44 0.99 2fbwN1 PRO 616 HB2 -1.94 -0.04 -0.01 -0.04 2.28 0.25 2fbwN1 PRO 616 HB3 -0.88 0.05 0.07 -0.04 2.02 1.22 2fbwN1 PRO 616 HG2 -0.54 -0.03 0.10 -0.04 2.03 1.51 2fbwN1 PRO 616 HG3 -0.39 0.09 0.11 -0.04 2.03 1.80 2fbwN1 PRO 616 HD2 -0.82 0.07 0.17 -0.04 3.68 3.06 2fbwN1 PRO 616 HD3 -0.26 0.10 0.23 -0.04 3.65 3.68 2fbwN1 ALA 617 H -2.11 0.22 0.17 -0.55 8.40 6.13 2fbwN1 ALA 617 HA -0.33 0.17 0.57 -0.75 4.34 4.00 2fbwN1 ALA 617 HB3 -0.21 0.02 -0.04 -0.04 1.41 1.14 2fbwN1 ILE 618 H -0.07 0.17 0.11 -0.55 8.25 7.91 2fbwN1 ILE 618 HA 0.00 0.03 0.49 -0.75 4.18 3.94 2fbwN1 ILE 618 HB 0.00 0.01 0.11 -0.04 1.89 1.97 2fbwN1 ILE 618 HG12 0.02 0.00 0.02 -0.04 1.49 1.50 2fbwN1 ILE 618 HG13 -0.00 -0.03 -0.04 -0.04 1.21 1.10 2fbwN1 ILE 618 HG23 0.04 -0.01 -0.16 -0.04 0.93 0.76 2fbwN1 ILE 618 HD13 0.01 0.01 0.06 -0.04 0.88 0.92 2fbwN1 ARG 619 H 0.11 0.14 0.19 -0.55 8.46 8.35 2fbwN1 ARG 619 HA 0.11 0.15 0.84 -0.75 4.34 4.70 2fbwN1 ARG 619 HB2 0.43 0.07 0.07 -0.04 1.90 2.42 2fbwN1 ARG 619 HB3 0.20 -0.03 0.23 -0.04 1.80 2.16 2fbwN1 ARG 619 HG2 0.22 -0.09 -0.16 -0.04 1.67 1.60 2fbwN1 ARG 619 HG3 0.08 0.01 -0.04 -0.04 1.67 1.68 2fbwN1 ARG 619 HD2 0.18 0.05 0.10 -0.04 3.22 3.50 2fbwN1 ARG 619 HD3 0.21 -0.06 0.07 -0.04 3.22 3.39 2fbwN1 SER 620 H -0.11 0.32 0.15 -0.55 8.46 8.27 2fbwN1 SER 620 HA 0.06 0.13 0.76 -0.75 4.49 4.69 2fbwN1 SER 620 HB2 0.03 -0.04 -0.01 -0.04 3.95 3.88 2fbwN1 SER 620 HB3 0.04 0.10 -0.07 -0.04 3.93 3.96 2fbwN1 TYR 621 H 0.19 0.20 0.07 -0.55 8.29 8.20 2fbwN1 TYR 621 HA 0.04 0.27 0.69 -0.75 4.56 4.80 2fbwN1 TYR 621 HB2 0.03 0.05 0.09 -0.04 3.06 3.19 2fbwN1 TYR 621 HB3 0.02 -0.03 0.11 -0.04 2.98 3.03 2fbwN1 TYR 621 HD2 0.03 0.05 -0.07 -0.04 7.15 7.11 2fbwN1 TYR 621 HE2 0.01 0.09 -0.06 -0.04 6.85 6.85