============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 1 0.900 32.583 32.235 30.416 -99.200 -91.000 HIS 24 0.900 6.826 5.633 20.691 -99.200 -91.000 HIS 49 0.900 17.163 20.473 35.051 -99.200 -91.000 TRP 65 1.040 15.735 39.291 29.095 -99.200 -91.000 TRP6 65 1.020 14.054 37.659 28.800 -99.200 -91.000 PHE 82 1.000 19.251 25.737 12.685 -99.200 -91.000 PHE 113 1.000 8.578 29.224 32.439 -99.200 -91.000 TYR 114 0.840 2.646 32.153 27.568 -99.200 -91.000 TYR 116 0.840 3.505 30.922 20.514 -99.200 -91.000 TYR 124 0.840 3.474 26.659 9.218 -99.200 -91.000 PHE 126 1.000 7.512 24.342 10.167 -99.200 -91.000 PHE 135 1.000 7.499 17.341 32.361 -99.200 -91.000 TYR 139 0.840 9.060 28.649 38.315 -99.200 -91.000 TRP 143 1.040 5.443 23.837 23.606 -99.200 -91.000 TRP6 143 1.020 6.931 25.242 24.790 -99.200 -91.000 TYR 151 0.840 9.910 24.258 5.433 -99.200 -91.000 PHE 162 1.000 10.630 32.830 28.126 -99.200 -91.000 TRP 166 1.040 9.445 34.193 33.658 -99.200 -91.000 TRP6 166 1.020 8.524 34.037 35.824 -99.200 -91.000 TYR 177 0.840 21.356 18.088 12.514 -99.200 -91.000 PHE 181 1.000 25.654 14.849 16.466 -99.200 -91.000 TRP 183 1.040 24.348 21.059 17.146 -99.200 -91.000 TRP6 183 1.020 22.996 22.993 16.942 -99.200 -91.000 TYR 213 0.840 38.208 24.544 -6.209 -99.200 -91.000 PHE 218 1.000 42.800 29.033 -11.930 -99.200 -91.000 PHE 239 1.000 46.280 36.015 19.053 -99.200 -91.000 TYR 254 0.840 41.999 22.004 -7.652 -99.200 -91.000 TYR 255 0.840 41.611 14.256 -5.464 -99.200 -91.000 TYR 257 0.840 32.569 21.284 -7.170 -99.200 -91.000 HIS 267 0.900 45.008 8.777 3.504 -99.200 -91.000 TYR 284 0.840 29.693 13.569 19.687 -99.200 -91.000 TYR 289 0.840 26.456 10.055 3.349 -99.200 -91.000 PHE 290 1.000 22.894 15.344 -2.480 -99.200 -91.000 HIS 294 0.900 21.333 3.468 -11.740 -99.200 -91.000 TYR 305 0.840 20.655 8.763 2.707 -99.200 -91.000 HIS 306 0.900 22.448 15.639 7.822 -99.200 -91.000 HIS 314 0.900 36.878 5.062 25.196 -99.200 -91.000 TRP 318 1.040 42.428 11.552 22.637 -99.200 -91.000 TRP6 318 1.020 40.401 12.725 22.951 -99.200 -91.000 TYR 363 0.840 36.093 25.779 13.815 -99.200 -91.000 TYR 367 0.840 33.837 19.614 1.499 -99.200 -91.000 PHE 368 1.000 26.113 23.793 0.226 -99.200 -91.000 HIS 371 0.900 28.058 34.614 -1.055 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2nz1X1 HIS 12 HA -0.02 -0.10 0.19 -0.75 4.63 3.95 2nz1X1 HIS 12 HB2 -0.02 0.04 0.04 -0.04 3.26 3.28 2nz1X1 HIS 12 HB3 -0.02 -0.07 0.04 -0.04 3.20 3.11 2nz1X1 HIS 12 HD2 -0.01 0.00 0.03 -0.04 6.97 6.95 2nz1X1 HIS 12 HE1 -0.01 -0.01 0.02 -0.04 7.75 7.71 2nz1X1 SER 13 H 0.11 0.07 0.07 -0.55 8.46 8.16 2nz1X1 SER 13 HA -0.00 0.17 0.54 -0.75 4.49 4.45 2nz1X1 SER 13 HB2 0.01 -0.04 0.02 -0.04 3.95 3.90 2nz1X1 SER 13 HB3 0.01 0.00 0.01 -0.04 3.93 3.91 2nz1X1 SER 14 H 0.04 0.10 -0.14 -0.55 8.46 7.90 2nz1X1 SER 14 HA -0.03 0.22 0.53 -0.75 4.49 4.46 2nz1X1 SER 14 HB2 -0.03 0.01 -0.04 -0.04 3.95 3.85 2nz1X1 SER 14 HB3 -0.02 0.05 -0.11 -0.04 3.93 3.81 2nz1X1 GLY 15 H -0.04 0.64 0.33 -0.55 8.43 8.81 2nz1X1 GLY 15 HA2 -0.05 -0.02 0.36 -0.51 4.01 3.79 2nz1X1 GLY 15 HA3 -0.04 0.18 0.76 -0.51 4.01 4.41 2nz1X1 VAL 16 H -0.04 0.20 0.28 -0.55 8.24 8.13 2nz1X1 VAL 16 HA -0.06 0.42 1.05 -0.75 4.13 4.77 2nz1X1 VAL 16 HB -0.03 -0.18 0.12 -0.04 2.12 1.99 2nz1X1 VAL 16 HG13 0.02 0.03 -0.18 -0.04 0.97 0.80 2nz1X1 VAL 16 HG23 -0.03 -0.01 -0.36 -0.04 0.95 0.52 2nz1X1 SER 17 H -0.06 0.68 0.33 -0.55 8.46 8.86 2nz1X1 SER 17 HA 0.01 0.05 0.82 -0.75 4.49 4.62 2nz1X1 SER 17 HB2 -0.01 0.05 0.05 -0.04 3.95 4.00 2nz1X1 SER 17 HB3 -0.02 0.01 -0.14 -0.04 3.93 3.74 2nz1X1 THR 18 H 0.05 0.15 0.19 -0.55 8.28 8.12 2nz1X1 THR 18 HA 0.06 0.32 1.09 -0.75 4.39 5.11 2nz1X1 THR 18 HB 0.42 0.05 0.09 -0.04 4.32 4.83 2nz1X1 THR 18 HG23 0.19 -0.01 -0.28 -0.04 1.22 1.09 2nz1X1 GLN 19 H 0.22 0.62 0.30 -0.55 8.47 9.07 2nz1X1 GLN 19 HA 0.09 -0.03 0.56 -0.75 4.36 4.22 2nz1X1 GLN 19 HB2 0.03 -0.08 0.14 -0.04 2.15 2.21 2nz1X1 GLN 19 HB3 0.03 0.06 -0.30 -0.04 2.02 1.77 2nz1X1 GLN 19 HG2 0.00 0.09 -0.13 -0.04 2.40 2.33 2nz1X1 GLN 19 HG3 0.03 0.15 -0.44 -0.04 2.39 2.09 2nz1X1 GLN 19 HE21 -0.04 0.06 -0.02 -0.04 6.97 6.93 2nz1X1 GLN 19 HE22 -0.05 0.40 -0.06 -0.04 7.69 7.94 2nz1X1 SER 20 H 0.07 0.07 0.17 -0.55 8.46 8.22 2nz1X1 SER 20 HA 0.20 0.11 0.61 -0.75 4.49 4.65 2nz1X1 SER 20 HB2 0.05 -0.01 0.04 -0.04 3.95 3.99 2nz1X1 SER 20 HB3 0.08 -0.03 0.01 -0.04 3.93 3.95 2nz1X1 VAL 21 H 0.12 0.16 0.09 -0.55 8.24 8.06 2nz1X1 VAL 21 HA 0.03 0.27 0.85 -0.75 4.13 4.53 2nz1X1 VAL 21 HB 0.05 -0.05 0.10 -0.04 2.12 2.18 2nz1X1 VAL 21 HG13 0.01 0.01 -0.20 -0.04 0.97 0.75 2nz1X1 VAL 21 HG23 -0.01 0.10 -0.48 -0.04 0.95 0.51 2nz1X1 ASP 22 H 0.03 0.30 -0.05 -0.55 8.40 8.13 2nz1X1 ASP 22 HA 0.03 0.16 0.84 -0.75 4.63 4.90 2nz1X1 ASP 22 HB2 0.03 0.07 -0.03 -0.04 2.71 2.73 2nz1X1 ASP 22 HB3 0.02 0.03 0.14 -0.04 2.70 2.85 2nz1X1 LEU 23 H 0.02 0.29 0.02 -0.55 8.37 8.16 2nz1X1 LEU 23 HA 0.01 0.13 0.29 -0.75 4.35 4.02 2nz1X1 LEU 23 HB2 0.02 -0.00 0.01 -0.04 1.64 1.63 2nz1X1 LEU 23 HB3 0.01 -0.10 -0.10 -0.04 1.64 1.41 2nz1X1 LEU 23 HG 0.02 0.06 -0.02 -0.04 1.64 1.66 2nz1X1 LEU 23 HD13 0.02 0.02 -0.08 -0.04 0.93 0.85 2nz1X1 LEU 23 HD23 0.00 0.02 -0.15 -0.04 0.89 0.72 2nz1X1 SER 24 H 0.01 0.07 -0.35 -0.55 8.46 7.65 2nz1X1 SER 24 HA 0.01 0.04 0.36 -0.75 4.49 4.15 2nz1X1 SER 24 HB2 0.01 0.02 -0.03 -0.04 3.95 3.91 2nz1X1 SER 24 HB3 0.01 0.03 0.02 -0.04 3.93 3.95 2nz1X1 GLN 25 H 0.01 0.29 -0.34 -0.55 8.47 7.88 2nz1X1 GLN 25 HA 0.00 0.15 0.72 -0.75 4.36 4.48 2nz1X1 GLN 25 HB2 0.00 0.03 0.16 -0.04 2.15 2.31 2nz1X1 GLN 25 HB3 0.00 -0.01 0.06 -0.04 2.02 2.04 2nz1X1 GLN 25 HG2 0.01 -0.18 -0.05 -0.04 2.40 2.14 2nz1X1 GLN 25 HG3 0.01 0.16 0.05 -0.04 2.39 2.57 2nz1X1 GLN 25 HE21 0.01 0.01 -0.01 -0.04 6.97 6.94 2nz1X1 GLN 25 HE22 0.01 0.00 0.00 -0.04 7.69 7.67 2nz1X1 ILE 26 H 0.00 0.46 -0.57 -0.55 8.25 7.60 2nz1X1 ILE 26 HA -0.01 0.17 0.85 -0.75 4.18 4.44 2nz1X1 ILE 26 HB -0.00 -0.07 0.09 -0.04 1.89 1.87 2nz1X1 ILE 26 HG12 0.00 0.16 -0.33 -0.04 1.49 1.28 2nz1X1 ILE 26 HG13 -0.00 0.02 -0.26 -0.04 1.21 0.93 2nz1X1 ILE 26 HG23 -0.02 0.02 -0.22 -0.04 0.93 0.67 2nz1X1 ILE 26 HD13 -0.01 0.06 -0.07 -0.04 0.88 0.82 2nz1X1 LYS 27 H -0.01 0.20 0.01 -0.55 8.42 8.07 2nz1X1 LYS 27 HA -0.01 -0.01 0.34 -0.75 4.32 3.89 2nz1X1 LYS 27 HB2 -0.02 0.01 0.12 -0.04 1.87 1.94 2nz1X1 LYS 27 HB3 -0.02 0.02 0.01 -0.04 1.79 1.76 2nz1X1 LYS 27 HG2 -0.01 0.01 0.07 -0.04 1.46 1.49 2nz1X1 LYS 27 HG3 -0.02 0.05 0.03 -0.04 1.46 1.48 2nz1X1 LYS 27 HD2 -0.01 -0.04 0.00 -0.04 1.69 1.61 2nz1X1 LYS 27 HD3 -0.01 0.04 -0.01 -0.04 1.68 1.66 2nz1X1 LYS 27 HE2 -0.01 0.00 -0.01 -0.04 2.99 2.94 2nz1X1 LYS 27 HE3 -0.01 0.03 -0.00 -0.04 2.99 2.97 2nz1X1 ARG 28 H -0.00 0.15 0.25 -0.55 8.46 8.30 2nz1X1 ARG 28 HA 0.01 -0.03 0.40 -0.75 4.34 3.96 2nz1X1 ARG 28 HB2 -0.00 0.23 -0.02 -0.04 1.90 2.06 2nz1X1 ARG 28 HB3 0.01 -0.10 0.21 -0.04 1.80 1.88 2nz1X1 ARG 28 HG2 0.00 0.00 0.05 -0.04 1.67 1.69 2nz1X1 ARG 28 HG3 -0.00 -0.05 -0.18 -0.04 1.67 1.39 2nz1X1 ARG 28 HD2 -0.00 0.03 -0.02 -0.04 3.22 3.18 2nz1X1 ARG 28 HD3 -0.01 0.04 -0.04 -0.04 3.22 3.18 2nz1X1 GLY 29 H -0.00 0.96 -0.14 -0.55 8.43 8.70 2nz1X1 GLY 29 HA2 -0.01 0.06 0.22 -0.51 4.01 3.77 2nz1X1 GLY 29 HA3 -0.00 0.11 0.25 -0.51 4.01 3.86 2nz1X1 ASP 30 H 0.01 0.11 -0.29 -0.55 8.40 7.68 2nz1X1 ASP 30 HA 0.01 0.11 0.37 -0.75 4.63 4.36 2nz1X1 ASP 30 HB2 0.01 0.05 -0.06 -0.04 2.71 2.67 2nz1X1 ASP 30 HB3 0.01 0.03 0.03 -0.04 2.70 2.73 2nz1X1 GLU 31 H 0.03 0.18 -0.19 -0.55 8.60 8.08 2nz1X1 GLU 31 HA 0.07 0.07 0.46 -0.75 4.29 4.14 2nz1X1 GLU 31 HB2 0.05 0.14 0.12 -0.04 2.09 2.36 2nz1X1 GLU 31 HB3 0.15 0.00 0.01 -0.04 1.99 2.11 2nz1X1 GLU 31 HG2 0.09 0.02 0.00 -0.04 2.34 2.41 2nz1X1 GLU 31 HG3 0.04 -0.10 0.04 -0.04 2.34 2.28 2nz1X1 ILE 32 H 0.02 0.48 -0.13 -0.55 8.25 8.08 2nz1X1 ILE 32 HA 0.04 0.01 0.37 -0.75 4.18 3.84 2nz1X1 ILE 32 HB -0.00 0.14 0.07 -0.04 1.89 2.06 2nz1X1 ILE 32 HG12 -0.01 -0.05 -0.06 -0.04 1.49 1.33 2nz1X1 ILE 32 HG13 0.00 0.05 -0.01 -0.04 1.21 1.21 2nz1X1 ILE 32 HG23 -0.01 0.00 -0.18 -0.04 0.93 0.70 2nz1X1 ILE 32 HD13 -0.03 -0.01 -0.20 -0.04 0.88 0.60 2nz1X1 GLN 33 H 0.00 0.48 -0.28 -0.55 8.47 8.13 2nz1X1 GLN 33 HA -0.00 0.06 0.38 -0.75 4.36 4.05 2nz1X1 GLN 33 HB2 0.00 0.04 0.09 -0.04 2.15 2.23 2nz1X1 GLN 33 HB3 -0.01 0.07 0.13 -0.04 2.02 2.18 2nz1X1 GLN 33 HG2 0.00 0.03 0.02 -0.04 2.40 2.41 2nz1X1 GLN 33 HG3 0.01 0.01 0.02 -0.04 2.39 2.39 2nz1X1 GLN 33 HE21 0.00 -0.09 -0.04 -0.04 6.97 6.81 2nz1X1 GLN 33 HE22 0.02 0.13 0.06 -0.04 7.69 7.85 2nz1X1 ALA 34 H -0.04 0.36 -0.15 -0.55 8.40 8.02 2nz1X1 ALA 34 HA -0.11 0.10 0.47 -0.75 4.34 4.06 2nz1X1 ALA 34 HB3 -0.22 -0.03 0.09 -0.04 1.41 1.21 2nz1X1 HIS 35 H 0.02 0.60 -0.05 -0.55 8.41 8.43 2nz1X1 HIS 35 HA 0.01 0.23 1.05 -0.75 4.63 5.16 2nz1X1 HIS 35 HB2 0.01 0.11 0.00 -0.04 3.26 3.34 2nz1X1 HIS 35 HB3 0.01 -0.14 0.01 -0.04 3.20 3.03 2nz1X1 HIS 35 HD2 0.01 -0.02 -0.01 -0.04 6.97 6.91 2nz1X1 HIS 35 HE1 0.01 -0.02 -0.01 -0.04 7.75 7.68 2nz1X1 CYS 36 H 0.05 0.46 0.07 -0.55 8.50 8.54 2nz1X1 CYS 36 HA 0.06 0.18 1.02 -0.75 4.58 5.08 2nz1X1 CYS 36 HB2 0.03 0.20 0.11 -0.04 2.97 3.26 2nz1X1 CYS 36 HB3 0.03 -0.01 0.03 -0.04 2.97 2.97 2nz1X1 LEU 37 H 0.01 0.21 0.04 -0.55 8.37 8.09 2nz1X1 LEU 37 HA 0.01 0.35 0.87 -0.75 4.35 4.82 2nz1X1 LEU 37 HB2 0.00 -0.01 0.11 -0.04 1.64 1.70 2nz1X1 LEU 37 HB3 -0.00 -0.01 0.18 -0.04 1.64 1.77 2nz1X1 LEU 37 HG 0.01 -0.09 -0.43 -0.04 1.64 1.08 2nz1X1 LEU 37 HD13 -0.01 -0.03 -0.15 -0.04 0.93 0.69 2nz1X1 LEU 37 HD23 0.01 0.04 -0.05 -0.04 0.89 0.85 2nz1X1 THR 38 H 0.00 0.10 -0.33 -0.55 8.28 7.51 2nz1X1 THR 38 HA -0.01 0.16 0.79 -0.75 4.39 4.58 2nz1X1 THR 38 HB -0.04 0.13 0.03 -0.04 4.32 4.39 2nz1X1 THR 38 HG23 -0.02 -0.02 -0.13 -0.04 1.22 1.00 2nz1X1 PRO 39 HA 0.02 0.01 0.36 -0.51 4.44 4.33 2nz1X1 PRO 39 HB2 0.01 0.01 -0.00 -0.04 2.28 2.26 2nz1X1 PRO 39 HB3 0.00 -0.04 -0.12 -0.04 2.02 1.82 2nz1X1 PRO 39 HG2 -0.00 -0.00 0.14 -0.04 2.03 2.12 2nz1X1 PRO 39 HG3 -0.01 0.23 -0.01 -0.04 2.03 2.19 2nz1X1 PRO 39 HD2 -0.01 0.13 0.21 -0.04 3.68 3.97 2nz1X1 PRO 39 HD3 -0.01 -0.06 0.04 -0.04 3.65 3.57 2nz1X1 ALA 40 H 0.04 0.18 0.12 -0.55 8.40 8.19 2nz1X1 ALA 40 HA 0.03 0.14 0.81 -0.75 4.34 4.56 2nz1X1 ALA 40 HB3 0.07 0.03 0.15 -0.04 1.41 1.61 2nz1X1 GLU 41 H 0.12 0.12 0.20 -0.55 8.60 8.50 2nz1X1 GLU 41 HA 0.05 0.03 0.48 -0.75 4.29 4.08 2nz1X1 GLU 41 HB2 0.06 0.06 0.22 -0.04 2.09 2.39 2nz1X1 GLU 41 HB3 0.03 -0.07 0.11 -0.04 1.99 2.02 2nz1X1 GLU 41 HG2 0.01 -0.04 0.08 -0.04 2.34 2.35 2nz1X1 GLU 41 HG3 0.06 0.04 0.09 -0.04 2.34 2.48 2nz1X1 THR 42 H 0.03 0.10 0.16 -0.55 8.28 8.03 2nz1X1 THR 42 HA 0.04 0.21 0.66 -0.75 4.39 4.55 2nz1X1 THR 42 HB 0.03 0.00 0.23 -0.04 4.32 4.54 2nz1X1 THR 42 HG23 0.03 0.02 0.03 -0.04 1.22 1.26 2nz1X1 GLU 43 H 0.04 0.32 -0.59 -0.55 8.60 7.82 2nz1X1 GLU 43 HA 0.03 0.21 0.69 -0.75 4.29 4.47 2nz1X1 GLU 43 HB2 0.02 -0.05 0.11 -0.04 2.09 2.13 2nz1X1 GLU 43 HB3 0.02 0.12 -0.10 -0.04 1.99 2.00 2nz1X1 GLU 43 HG2 0.02 -0.06 -0.06 -0.04 2.34 2.20 2nz1X1 GLU 43 HG3 0.01 -0.15 -0.14 -0.04 2.34 2.03 2nz1X1 VAL 44 H 0.03 0.23 0.14 -0.55 8.24 8.10 2nz1X1 VAL 44 HA 0.04 0.18 0.53 -0.75 4.13 4.13 2nz1X1 VAL 44 HB 0.04 0.07 0.06 -0.04 2.12 2.24 2nz1X1 VAL 44 HG13 0.07 0.01 -0.12 -0.04 0.97 0.89 2nz1X1 VAL 44 HG23 0.03 -0.01 -0.03 -0.04 0.95 0.90 2nz1X1 THR 45 H 0.01 0.05 -0.27 -0.55 8.28 7.53 2nz1X1 THR 45 HA -0.00 0.11 0.30 -0.75 4.39 4.05 2nz1X1 THR 45 HB -0.01 -0.04 0.05 -0.04 4.32 4.28 2nz1X1 THR 45 HG23 -0.01 0.02 -0.08 -0.04 1.22 1.10 2nz1X1 GLU 46 H -0.03 0.15 -0.08 -0.55 8.60 8.09 2nz1X1 GLU 46 HA -0.09 0.07 0.43 -0.75 4.29 3.95 2nz1X1 GLU 46 HB2 -0.10 0.06 0.14 -0.04 2.09 2.14 2nz1X1 GLU 46 HB3 -0.39 0.04 -0.01 -0.04 1.99 1.58 2nz1X1 GLU 46 HG2 -0.23 0.04 0.05 -0.04 2.34 2.15 2nz1X1 GLU 46 HG3 -0.19 0.02 0.03 -0.04 2.34 2.16 2nz1X1 CYS 47 H 0.01 0.19 -0.13 -0.55 8.50 8.01 2nz1X1 CYS 47 HA 0.03 -0.00 0.36 -0.75 4.58 4.22 2nz1X1 CYS 47 HB2 0.06 0.20 -0.07 -0.04 2.97 3.13 2nz1X1 CYS 47 HB3 0.04 0.06 0.06 -0.04 2.97 3.10 2nz1X1 ALA 48 H 0.01 0.56 -0.15 -0.55 8.40 8.28 2nz1X1 ALA 48 HA 0.05 0.33 0.58 -0.75 4.34 4.56 2nz1X1 ALA 48 HB3 0.01 -0.01 0.10 -0.04 1.41 1.48 2nz1X1 GLY 49 H -0.00 0.58 -0.10 -0.55 8.43 8.36 2nz1X1 GLY 49 HA2 0.01 -0.01 0.36 -0.51 4.01 3.85 2nz1X1 GLY 49 HA3 -0.01 0.03 0.32 -0.51 4.01 3.84 2nz1X1 ILE 50 H -0.00 0.41 -0.29 -0.55 8.25 7.82 2nz1X1 ILE 50 HA -0.00 0.01 0.50 -0.75 4.18 3.93 2nz1X1 ILE 50 HB 0.01 0.12 0.14 -0.04 1.89 2.12 2nz1X1 ILE 50 HG12 0.01 -0.08 -0.01 -0.04 1.49 1.37 2nz1X1 ILE 50 HG13 -0.02 0.14 0.04 -0.04 1.21 1.33 2nz1X1 ILE 50 HG23 0.00 -0.03 -0.17 -0.04 0.93 0.69 2nz1X1 ILE 50 HD13 0.07 -0.05 -0.22 -0.04 0.88 0.64 2nz1X1 LEU 51 H 0.00 0.60 0.04 -0.55 8.37 8.47 2nz1X1 LEU 51 HA -0.10 -0.11 0.34 -0.75 4.35 3.72 2nz1X1 LEU 51 HB2 0.07 0.27 0.18 -0.04 1.64 2.11 2nz1X1 LEU 51 HB3 -0.24 -0.09 -0.01 -0.04 1.64 1.26 2nz1X1 LEU 51 HG -0.01 0.20 0.12 -0.04 1.64 1.91 2nz1X1 LEU 51 HD13 -0.02 0.01 -0.13 -0.04 0.93 0.75 2nz1X1 LEU 51 HD23 -0.10 -0.04 -0.06 -0.04 0.89 0.65 2nz1X1 LYS 52 H 0.09 0.77 -0.15 -0.55 8.42 8.58 2nz1X1 LYS 52 HA 0.33 -0.02 0.33 -0.75 4.32 4.20 2nz1X1 LYS 52 HB2 0.08 0.09 0.09 -0.04 1.87 2.09 2nz1X1 LYS 52 HB3 0.05 0.07 0.06 -0.04 1.79 1.93 2nz1X1 LYS 52 HG2 0.02 -0.05 -0.03 -0.04 1.46 1.36 2nz1X1 LYS 52 HG3 0.05 -0.01 -0.13 -0.04 1.46 1.32 2nz1X1 LYS 52 HD2 0.05 0.00 0.08 -0.04 1.69 1.78 2nz1X1 LYS 52 HD3 -0.01 -0.00 0.01 -0.04 1.68 1.64 2nz1X1 LYS 52 HE2 -0.00 -0.01 0.02 -0.04 2.99 2.96 2nz1X1 LYS 52 HE3 -0.06 -0.01 0.02 -0.04 2.99 2.90 2nz1X1 ASP 53 H 0.02 0.38 -0.42 -0.55 8.40 7.84 2nz1X1 ASP 53 HA 0.02 0.05 0.55 -0.75 4.63 4.49 2nz1X1 ASP 53 HB2 0.00 -0.02 0.11 -0.04 2.71 2.77 2nz1X1 ASP 53 HB3 -0.00 0.18 0.26 -0.04 2.70 3.10 2nz1X1 VAL 54 H -0.03 0.47 0.11 -0.55 8.24 8.24 2nz1X1 VAL 54 HA -0.04 0.01 0.39 -0.75 4.13 3.73 2nz1X1 VAL 54 HB -0.08 0.01 0.03 -0.04 2.12 2.04 2nz1X1 VAL 54 HG13 -0.06 0.00 -0.11 -0.04 0.97 0.76 2nz1X1 VAL 54 HG23 -0.03 0.04 -0.04 -0.04 0.95 0.88 2nz1X1 LEU 55 H -0.18 0.60 -0.02 -0.55 8.37 8.22 2nz1X1 LEU 55 HA -0.23 0.12 0.28 -0.75 4.35 3.76 2nz1X1 LEU 55 HB2 -0.81 0.29 0.00 -0.04 1.64 1.08 2nz1X1 LEU 55 HB3 -1.12 -0.03 -0.12 -0.04 1.64 0.33 2nz1X1 LEU 55 HG -0.45 0.06 -0.03 -0.04 1.64 1.17 2nz1X1 LEU 55 HD13 -0.22 -0.03 -0.12 -0.04 0.93 0.52 2nz1X1 LEU 55 HD23 -0.77 -0.01 -0.09 -0.04 0.89 -0.03 2nz1X1 SER 56 H -0.01 0.39 -0.48 -0.55 8.46 7.81 2nz1X1 SER 56 HA 0.09 0.00 0.46 -0.75 4.49 4.30 2nz1X1 SER 56 HB2 0.04 0.21 0.17 -0.04 3.95 4.33 2nz1X1 SER 56 HB3 0.04 -0.12 0.09 -0.04 3.93 3.90 2nz1X1 LYS 57 H -0.04 0.27 -0.45 -0.55 8.42 7.64 2nz1X1 LYS 57 HA -0.01 0.07 0.63 -0.75 4.32 4.26 2nz1X1 LYS 57 HB2 -0.03 0.16 0.18 -0.04 1.87 2.14 2nz1X1 LYS 57 HB3 -0.02 -0.09 0.03 -0.04 1.79 1.67 2nz1X1 LYS 57 HG2 -0.01 -0.05 -0.01 -0.04 1.46 1.35 2nz1X1 LYS 57 HG3 -0.01 0.30 0.06 -0.04 1.46 1.77 2nz1X1 LYS 57 HD2 -0.02 -0.03 -0.03 -0.04 1.69 1.57 2nz1X1 LYS 57 HD3 -0.01 -0.06 -0.00 -0.04 1.68 1.57 2nz1X1 LYS 57 HE2 -0.01 -0.02 -0.02 -0.04 2.99 2.90 2nz1X1 LYS 57 HE3 -0.01 0.05 -0.07 -0.04 2.99 2.93 2nz1X1 ASN 58 H -0.07 0.51 -0.01 -0.55 8.53 8.41 2nz1X1 ASN 58 HA -0.05 0.12 0.77 -0.75 4.76 4.84 2nz1X1 ASN 58 HB2 -0.03 0.07 -0.08 -0.04 2.88 2.79 2nz1X1 ASN 58 HB3 -0.05 0.02 0.13 -0.04 2.79 2.85 2nz1X1 ASN 58 HD21 0.00 0.05 -0.16 -0.04 7.03 6.88 2nz1X1 ASN 58 HD22 -0.03 0.01 -0.00 -0.04 7.74 7.68 2nz1X1 LEU 59 H -0.13 0.20 -0.02 -0.55 8.37 7.87 2nz1X1 LEU 59 HA -0.24 0.24 0.35 -0.75 4.35 3.94 2nz1X1 LEU 59 HB2 -0.18 0.07 0.08 -0.04 1.64 1.58 2nz1X1 LEU 59 HB3 -0.50 -0.05 0.05 -0.04 1.64 1.09 2nz1X1 LEU 59 HG -0.57 -0.00 -0.31 -0.04 1.64 0.72 2nz1X1 LEU 59 HD13 -0.06 -0.00 -0.02 -0.04 0.93 0.81 2nz1X1 LEU 59 HD23 -0.21 -0.00 -0.08 -0.04 0.89 0.55 2nz1X1 HIS 60 H -0.15 0.08 -0.33 -0.55 8.41 7.47 2nz1X1 HIS 60 HA -0.07 0.23 0.77 -0.75 4.63 4.81 2nz1X1 HIS 60 HB2 -0.04 0.02 -0.05 -0.04 3.26 3.16 2nz1X1 HIS 60 HB3 -0.04 0.01 0.06 -0.04 3.20 3.19 2nz1X1 HIS 60 HD2 -0.03 0.01 -0.06 -0.04 6.97 6.84 2nz1X1 HIS 60 HE1 -0.03 0.05 -0.12 -0.04 7.75 7.60 2nz1X1 GLU 61 H -0.09 0.60 -0.31 -0.55 8.60 8.27 2nz1X1 GLU 61 HA -0.02 0.01 0.26 -0.75 4.29 3.78 2nz1X1 GLU 61 HB2 -0.07 0.03 0.05 -0.04 2.09 2.06 2nz1X1 GLU 61 HB3 -0.12 0.09 -0.01 -0.04 1.99 1.91 2nz1X1 GLU 61 HG2 -0.08 -0.00 -0.19 -0.04 2.34 2.02 2nz1X1 GLU 61 HG3 -0.06 0.00 -0.61 -0.04 2.34 1.63 2nz1X1 LEU 62 H -0.08 0.17 -0.40 -0.55 8.37 7.52 2nz1X1 LEU 62 HA -0.05 0.05 0.27 -0.75 4.35 3.87 2nz1X1 LEU 62 HB2 -0.04 0.04 -0.11 -0.04 1.64 1.49 2nz1X1 LEU 62 HB3 -0.04 0.02 -0.08 -0.04 1.64 1.50 2nz1X1 LEU 62 HG -0.13 -0.03 -0.08 -0.04 1.64 1.37 2nz1X1 LEU 62 HD13 -0.08 0.02 -0.12 -0.04 0.93 0.71 2nz1X1 LEU 62 HD23 -0.06 0.00 -0.12 -0.04 0.89 0.67 2nz1X1 GLN 63 H -0.01 0.62 -0.31 -0.55 8.47 8.23 2nz1X1 GLN 63 HA -0.04 0.03 0.30 -0.75 4.36 3.89 2nz1X1 GLN 63 HB2 -0.00 0.14 -0.00 -0.04 2.15 2.24 2nz1X1 GLN 63 HB3 -0.04 -0.00 -0.04 -0.04 2.02 1.89 2nz1X1 GLN 63 HG2 -0.04 -0.01 -0.09 -0.04 2.40 2.23 2nz1X1 GLN 63 HG3 0.01 -0.05 -0.06 -0.04 2.39 2.25 2nz1X1 GLN 63 HE21 -0.14 -0.02 -0.09 -0.04 6.97 6.69 2nz1X1 GLN 63 HE22 -0.07 0.02 -0.09 -0.04 7.69 7.50 2nz1X1 GLY 64 H -0.02 0.49 -0.45 -0.55 8.43 7.90 2nz1X1 GLY 64 HA2 -0.02 0.12 0.44 -0.51 4.01 4.04 2nz1X1 GLY 64 HA3 -0.02 -0.02 0.23 -0.51 4.01 3.69 2nz1X1 LEU 65 H -0.04 0.47 -0.49 -0.55 8.37 7.76 2nz1X1 LEU 65 HA -0.03 0.09 0.59 -0.75 4.35 4.25 2nz1X1 LEU 65 HB2 -0.04 0.13 -0.06 -0.04 1.64 1.63 2nz1X1 LEU 65 HB3 -0.03 -0.05 -0.00 -0.04 1.64 1.51 2nz1X1 LEU 65 HG -0.03 0.02 -0.12 -0.04 1.64 1.47 2nz1X1 LEU 65 HD13 -0.02 -0.01 -0.12 -0.04 0.93 0.73 2nz1X1 LEU 65 HD23 -0.02 -0.01 -0.22 -0.04 0.89 0.61 2nz1X1 CYS 66 H -0.08 0.27 -0.40 -0.55 8.50 7.74 2nz1X1 CYS 66 HA -0.16 0.09 0.53 -0.75 4.58 4.28 2nz1X1 CYS 66 HB2 -0.13 0.09 -0.07 -0.04 2.97 2.82 2nz1X1 CYS 66 HB3 -0.21 0.04 -0.22 -0.04 2.97 2.54 2nz1X1 ASN 67 H -0.38 0.55 0.32 -0.55 8.53 8.48 2nz1X1 ASN 67 HA -0.14 0.21 0.50 -0.75 4.76 4.57 2nz1X1 ASN 67 HB2 -1.14 -0.00 0.09 -0.04 2.88 1.79 2nz1X1 ASN 67 HB3 -0.93 -0.03 0.07 -0.04 2.79 1.86 2nz1X1 ASN 67 HD21 0.09 0.07 0.08 -0.04 7.03 7.23 2nz1X1 ASN 67 HD22 0.23 -0.04 0.08 -0.04 7.74 7.97 2nz1X1 VAL 68 H -0.37 0.28 0.13 -0.55 8.24 7.72 2nz1X1 VAL 68 HA -0.12 0.30 0.93 -0.75 4.13 4.49 2nz1X1 VAL 68 HB 0.10 -0.09 0.02 -0.04 2.12 2.11 2nz1X1 VAL 68 HG13 0.05 0.00 -0.24 -0.04 0.97 0.74 2nz1X1 VAL 68 HG23 -0.01 -0.02 -0.28 -0.04 0.95 0.60 2nz1X1 LYS 69 H -0.16 0.74 0.28 -0.55 8.42 8.73 2nz1X1 LYS 69 HA -0.48 0.23 1.06 -0.75 4.32 4.38 2nz1X1 LYS 69 HB2 -0.20 0.01 -0.11 -0.04 1.87 1.53 2nz1X1 LYS 69 HB3 -0.15 0.00 0.03 -0.04 1.79 1.63 2nz1X1 LYS 69 HG2 -0.14 -0.05 -0.27 -0.04 1.46 0.96 2nz1X1 LYS 69 HG3 -0.24 0.06 -0.35 -0.04 1.46 0.90 2nz1X1 LYS 69 HD2 -0.12 -0.00 -0.16 -0.04 1.69 1.36 2nz1X1 LYS 69 HD3 -0.12 -0.01 -0.22 -0.04 1.68 1.29 2nz1X1 LYS 69 HE2 -0.22 0.05 -0.27 -0.04 2.99 2.51 2nz1X1 LYS 69 HE3 -0.20 0.00 -0.14 -0.04 2.99 2.61 2nz1X1 ASN 70 H -0.65 0.68 0.25 -0.55 8.53 8.26 2nz1X1 ASN 70 HA -0.16 0.30 1.08 -0.75 4.76 5.23 2nz1X1 ASN 70 HB2 -0.17 -0.04 -0.13 -0.04 2.88 2.50 2nz1X1 ASN 70 HB3 -0.51 -0.04 0.15 -0.04 2.79 2.35 2nz1X1 ASN 70 HD21 0.13 -0.03 -0.14 -0.04 7.03 6.96 2nz1X1 ASN 70 HD22 0.33 -0.02 -0.11 -0.04 7.74 7.90 2nz1X1 LYS 71 H -0.11 0.47 0.20 -0.55 8.42 8.42 2nz1X1 LYS 71 HA -0.12 0.35 1.22 -0.75 4.32 5.01 2nz1X1 LYS 71 HB2 -0.08 0.07 -0.08 -0.04 1.87 1.75 2nz1X1 LYS 71 HB3 -0.11 -0.09 -0.15 -0.04 1.79 1.41 2nz1X1 LYS 71 HG2 -0.07 -0.03 -0.19 -0.04 1.46 1.13 2nz1X1 LYS 71 HG3 -0.05 -0.07 -0.39 -0.04 1.46 0.91 2nz1X1 LYS 71 HD2 -0.05 0.07 -0.28 -0.04 1.69 1.38 2nz1X1 LYS 71 HD3 -0.07 -0.07 -0.23 -0.04 1.68 1.27 2nz1X1 LYS 71 HE2 -0.03 -0.10 -0.32 -0.04 2.99 2.49 2nz1X1 LYS 71 HE3 -0.01 0.04 -0.54 -0.04 2.99 2.45 2nz1X1 MET 72 H -0.07 0.57 0.44 -0.55 8.47 8.87 2nz1X1 MET 72 HA -0.04 0.16 0.99 -0.75 4.52 4.88 2nz1X1 MET 72 HB2 -0.03 0.04 0.04 -0.04 2.15 2.16 2nz1X1 MET 72 HB3 -0.03 -0.07 -0.03 -0.04 2.03 1.86 2nz1X1 MET 72 HG2 -0.05 0.13 0.15 -0.04 2.63 2.82 2nz1X1 MET 72 HG3 -0.04 -0.03 -0.19 -0.04 2.56 2.26 2nz1X1 MET 72 HE3 -0.01 0.01 -0.05 -0.04 2.10 2.01 2nz1X1 GLY 73 H -0.03 0.66 0.27 -0.55 8.43 8.78 2nz1X1 GLY 73 HA2 -0.08 0.27 0.90 -0.51 4.01 4.59 2nz1X1 GLY 73 HA3 -0.05 -0.06 0.32 -0.51 4.01 3.70 2nz1X1 VAL 74 H -0.14 0.82 0.35 -0.55 8.24 8.72 2nz1X1 VAL 74 HA -0.06 0.15 0.99 -0.75 4.13 4.46 2nz1X1 VAL 74 HB -0.06 -0.05 -0.14 -0.04 2.12 1.83 2nz1X1 VAL 74 HG13 -0.16 -0.02 -0.17 -0.04 0.97 0.58 2nz1X1 VAL 74 HG23 -0.05 0.15 0.05 -0.04 0.95 1.06 2nz1X1 PRO 75 HA -0.04 0.34 0.36 -0.51 4.44 4.59 2nz1X1 PRO 75 HB2 0.04 -0.04 0.04 -0.04 2.28 2.28 2nz1X1 PRO 75 HB3 0.04 0.27 0.13 -0.04 2.02 2.42 2nz1X1 PRO 75 HG2 0.01 -0.00 0.09 -0.04 2.03 2.09 2nz1X1 PRO 75 HG3 -0.00 0.00 -0.38 -0.04 2.03 1.61 2nz1X1 PRO 75 HD2 -0.01 0.09 0.22 -0.04 3.68 3.93 2nz1X1 PRO 75 HD3 -0.03 0.07 0.20 -0.04 3.65 3.85 2nz1X1 TRP 76 H 0.21 0.08 0.05 -0.55 7.97 7.76 2nz1X1 TRP 76 HA 0.03 0.13 0.41 -0.75 4.62 4.43 2nz1X1 TRP 76 HB2 0.01 -0.18 0.09 -0.04 3.23 3.11 2nz1X1 TRP 76 HB3 0.01 -0.07 -0.09 -0.04 3.23 3.04 2nz1X1 TRP 76 HD1 -0.01 -0.17 -0.19 -0.04 7.22 6.81 2nz1X1 TRP 76 HE1 -0.02 0.02 -0.21 -0.04 10.20 9.94 2nz1X1 TRP 76 HE3 0.05 -0.05 -0.37 -0.04 7.59 7.18 2nz1X1 TRP 76 HZ2 -0.07 0.15 -0.16 -0.04 7.44 7.32 2nz1X1 TRP 76 HZ3 0.08 0.13 -0.25 -0.04 7.13 7.05 2nz1X1 TRP 76 HH2 -0.49 0.01 -0.02 -0.04 7.19 6.65 2nz1X1 VAL 77 H 0.38 0.27 0.11 -0.55 8.24 8.45 2nz1X1 VAL 77 HA 0.13 0.09 0.80 -0.75 4.13 4.40 2nz1X1 VAL 77 HB 0.14 0.08 0.25 -0.04 2.12 2.55 2nz1X1 VAL 77 HG13 0.08 -0.01 -0.02 -0.04 0.97 0.98 2nz1X1 VAL 77 HG23 0.09 0.04 -0.15 -0.04 0.95 0.89 2nz1X1 SER 78 H 0.08 0.11 0.07 -0.55 8.46 8.17 2nz1X1 SER 78 HA 0.06 0.24 0.74 -0.75 4.49 4.77 2nz1X1 SER 78 HB2 0.01 -0.01 0.07 -0.04 3.95 3.98 2nz1X1 SER 78 HB3 -0.02 -0.07 0.04 -0.04 3.93 3.84 2nz1X1 VAL 79 H 0.01 0.50 0.09 -0.55 8.24 8.30 2nz1X1 VAL 79 HA 0.02 0.14 0.70 -0.75 4.13 4.23 2nz1X1 VAL 79 HB 0.04 -0.09 0.19 -0.04 2.12 2.22 2nz1X1 VAL 79 HG13 0.02 -0.05 0.04 -0.04 0.97 0.95 2nz1X1 VAL 79 HG23 0.06 0.06 -0.27 -0.04 0.95 0.75 2nz1X1 GLU 80 H -0.00 0.23 0.02 -0.55 8.60 8.30 2nz1X1 GLU 80 HA -0.02 0.08 0.36 -0.75 4.29 3.95 2nz1X1 GLU 80 HB2 -0.01 -0.01 0.05 -0.04 2.09 2.08 2nz1X1 GLU 80 HB3 -0.02 0.07 0.03 -0.04 1.99 2.03 2nz1X1 GLU 80 HG2 -0.01 -0.04 0.05 -0.04 2.34 2.30 2nz1X1 GLU 80 HG3 -0.01 0.05 0.02 -0.04 2.34 2.36 2nz1X1 GLU 81 H 0.00 0.02 -0.34 -0.55 8.60 7.73 2nz1X1 GLU 81 HA -0.01 0.08 0.42 -0.75 4.29 4.02 2nz1X1 GLU 81 HB2 0.00 0.02 0.03 -0.04 2.09 2.10 2nz1X1 GLU 81 HB3 -0.00 0.04 0.05 -0.04 1.99 2.04 2nz1X1 GLU 81 HG2 0.01 -0.17 -0.03 -0.04 2.34 2.10 2nz1X1 GLU 81 HG3 0.01 0.07 0.01 -0.04 2.34 2.39 2nz1X1 LEU 82 H 0.00 0.15 -0.04 -0.55 8.37 7.93 2nz1X1 LEU 82 HA -0.01 0.25 0.94 -0.75 4.35 4.78 2nz1X1 LEU 82 HB2 0.01 -0.01 0.01 -0.04 1.64 1.61 2nz1X1 LEU 82 HB3 -0.01 0.02 0.11 -0.04 1.64 1.73 2nz1X1 LEU 82 HG 0.00 -0.10 -0.10 -0.04 1.64 1.40 2nz1X1 LEU 82 HD13 -0.00 0.00 -0.04 -0.04 0.93 0.85 2nz1X1 LEU 82 HD23 -0.01 0.04 -0.15 -0.04 0.89 0.73 2nz1X1 GLY 83 H -0.01 0.22 -0.32 -0.55 8.43 7.78 2nz1X1 GLY 83 HA2 -0.03 -0.03 0.26 -0.51 4.01 3.70 2nz1X1 GLY 83 HA3 -0.02 0.06 0.48 -0.51 4.01 4.03 2nz1X1 GLN 84 H 0.02 0.24 0.01 -0.55 8.47 8.19 2nz1X1 GLN 84 HA 0.08 0.38 0.92 -0.75 4.36 4.99 2nz1X1 GLN 84 HB2 0.07 -0.09 -0.02 -0.04 2.15 2.06 2nz1X1 GLN 84 HB3 0.12 0.05 -0.07 -0.04 2.02 2.08 2nz1X1 GLN 84 HG2 0.06 0.13 -0.26 -0.04 2.40 2.29 2nz1X1 GLN 84 HG3 0.03 -0.16 -0.29 -0.04 2.39 1.93 2nz1X1 GLN 84 HE21 0.03 -0.02 -0.08 -0.04 6.97 6.86 2nz1X1 GLN 84 HE22 0.04 0.05 -0.11 -0.04 7.69 7.63 2nz1X1 GLU 85 H 0.17 0.76 0.22 -0.55 8.60 9.21 2nz1X1 GLU 85 HA 0.07 0.05 0.70 -0.75 4.29 4.35 2nz1X1 GLU 85 HB2 -0.09 0.06 -0.09 -0.04 2.09 1.93 2nz1X1 GLU 85 HB3 -0.70 -0.02 -0.16 -0.04 1.99 1.07 2nz1X1 GLU 85 HG2 -0.21 0.09 -0.65 -0.04 2.34 1.53 2nz1X1 GLU 85 HG3 -0.62 -0.12 -0.66 -0.04 2.34 0.90 2nz1X1 ILE 86 H 0.31 0.55 0.13 -0.55 8.25 8.69 2nz1X1 ILE 86 HA 0.43 0.33 1.39 -0.75 4.18 5.58 2nz1X1 ILE 86 HB 0.17 0.05 0.10 -0.04 1.89 2.17 2nz1X1 ILE 86 HG12 0.14 -0.02 -0.14 -0.04 1.49 1.43 2nz1X1 ILE 86 HG13 0.22 0.02 -0.18 -0.04 1.21 1.23 2nz1X1 ILE 86 HG23 0.13 0.06 -0.24 -0.04 0.93 0.84 2nz1X1 ILE 86 HD13 0.14 -0.07 -0.36 -0.04 0.88 0.55 2nz1X1 ILE 87 H 0.26 0.42 0.27 -0.55 8.25 8.65 2nz1X1 ILE 87 HA -0.03 0.29 0.84 -0.75 4.18 4.53 2nz1X1 ILE 87 HB -0.21 0.06 -0.13 -0.04 1.89 1.56 2nz1X1 ILE 87 HG12 0.16 -0.01 0.02 -0.04 1.49 1.62 2nz1X1 ILE 87 HG13 0.08 -0.10 0.11 -0.04 1.21 1.26 2nz1X1 ILE 87 HG23 -0.93 0.01 -0.20 -0.04 0.93 -0.23 2nz1X1 ILE 87 HD13 -0.07 0.01 -0.19 -0.04 0.88 0.58 2nz1X1 THR 88 H 0.00 0.36 0.16 -0.55 8.28 8.25 2nz1X1 THR 88 HA 0.02 0.21 0.99 -0.75 4.39 4.85 2nz1X1 THR 88 HB 0.04 -0.05 -0.09 -0.04 4.32 4.19 2nz1X1 THR 88 HG23 0.04 0.00 -0.05 -0.04 1.22 1.17 2nz1X1 GLY 89 H 0.01 0.70 0.36 -0.55 8.43 8.95 2nz1X1 GLY 89 HA2 0.01 0.10 0.57 -0.51 4.01 4.18 2nz1X1 GLY 89 HA3 -0.01 0.04 0.24 -0.51 4.01 3.78 2nz1X1 ARG 90 H 0.02 0.22 0.09 -0.55 8.46 8.24 2nz1X1 ARG 90 HA 0.08 0.15 0.94 -0.75 4.34 4.76 2nz1X1 ARG 90 HB2 0.05 0.01 0.13 -0.04 1.90 2.06 2nz1X1 ARG 90 HB3 0.10 0.00 0.05 -0.04 1.80 1.91 2nz1X1 ARG 90 HG2 0.05 0.01 -0.16 -0.04 1.67 1.53 2nz1X1 ARG 90 HG3 0.03 -0.03 0.03 -0.04 1.67 1.66 2nz1X1 ARG 90 HD2 0.04 -0.00 -0.02 -0.04 3.22 3.19 2nz1X1 ARG 90 HD3 0.05 0.01 -0.01 -0.04 3.22 3.23 2nz1X1 LEU 91 H -0.02 0.15 0.05 -0.55 8.37 8.01 2nz1X1 LEU 91 HA -0.07 0.12 0.32 -0.75 4.35 3.96 2nz1X1 LEU 91 HB2 -0.84 -0.01 -0.01 -0.04 1.64 0.74 2nz1X1 LEU 91 HB3 -0.22 0.04 -0.11 -0.04 1.64 1.31 2nz1X1 LEU 91 HG -0.04 -0.02 -0.08 -0.04 1.64 1.46 2nz1X1 LEU 91 HD13 0.05 0.00 -0.06 -0.04 0.93 0.88 2nz1X1 LEU 91 HD23 -0.05 0.00 -0.24 -0.04 0.89 0.56 2nz1X1 PRO 92 HA -0.00 0.12 0.52 -0.51 4.44 4.57 2nz1X1 PRO 92 HB2 0.07 0.02 0.00 -0.04 2.28 2.33 2nz1X1 PRO 92 HB3 0.04 0.05 0.00 -0.04 2.02 2.07 2nz1X1 PRO 92 HG2 0.35 0.01 -0.00 -0.04 2.03 2.35 2nz1X1 PRO 92 HG3 0.09 0.01 -0.02 -0.04 2.03 2.07 2nz1X1 PRO 92 HD2 0.09 0.07 0.09 -0.04 3.68 3.89 2nz1X1 PRO 92 HD3 0.02 0.18 0.10 -0.04 3.65 3.91 2nz1X1 PHE 93 H -0.25 0.36 -0.21 -0.55 8.34 7.69 2nz1X1 PHE 93 HA -0.84 0.06 0.22 -0.75 4.62 3.31 2nz1X1 PHE 93 HB2 -0.08 -0.11 -0.01 -0.04 3.15 2.90 2nz1X1 PHE 93 HB3 -0.14 0.11 -0.08 -0.04 3.06 2.91 2nz1X1 PHE 93 HD2 -0.01 -0.01 -0.18 -0.04 7.28 7.04 2nz1X1 PHE 93 HE2 0.08 0.03 -0.10 -0.04 7.38 7.35 2nz1X1 PHE 93 HZ 0.06 -0.03 -0.12 -0.04 7.32 7.19 2nz1X1 PRO 94 HA -0.26 0.07 0.27 -0.51 4.44 4.02 2nz1X1 PRO 94 HB2 -0.47 -0.02 -0.12 -0.04 2.28 1.63 2nz1X1 PRO 94 HB3 -0.52 0.01 -0.02 -0.04 2.02 1.46 2nz1X1 PRO 94 HG2 -1.16 0.05 -0.07 -0.04 2.03 0.81 2nz1X1 PRO 94 HG3 -1.63 -0.01 -0.05 -0.04 2.03 0.29 2nz1X1 PRO 94 HD2 -1.31 0.07 0.09 -0.04 3.68 2.48 2nz1X1 PRO 94 HD3 -3.24 0.17 0.05 -0.04 3.65 0.59 2nz1X1 SER 95 H -0.18 0.20 -0.48 -0.55 8.46 7.45 2nz1X1 SER 95 HA -0.01 0.05 0.20 -0.75 4.49 3.98 2nz1X1 SER 95 HB2 0.02 -0.11 -0.02 -0.04 3.95 3.80 2nz1X1 SER 95 HB3 -0.10 0.14 -0.45 -0.04 3.93 3.48 2nz1X1 VAL 96 H 0.09 0.09 -0.02 -0.55 8.24 7.85 2nz1X1 VAL 96 HA 0.05 -0.03 0.33 -0.75 4.13 3.73 2nz1X1 VAL 96 HB -0.04 -0.00 0.01 -0.04 2.12 2.04 2nz1X1 VAL 96 HG13 -0.11 -0.02 -0.14 -0.04 0.97 0.66 2nz1X1 VAL 96 HG23 0.06 0.00 -0.01 -0.04 0.95 0.97 2nz1X1 GLY 97 H -0.01 0.04 0.15 -0.55 8.43 8.06 2nz1X1 GLY 97 HA2 0.05 0.06 0.39 -0.51 4.01 4.00 2nz1X1 GLY 97 HA3 -0.07 0.23 0.23 -0.51 4.01 3.88 2nz1X1 GLY 98 H -0.04 0.16 -0.16 -0.55 8.43 7.85 2nz1X1 GLY 98 HA2 -0.03 0.07 0.15 -0.51 4.01 3.69 2nz1X1 GLY 98 HA3 -0.05 0.05 0.33 -0.51 4.01 3.83 2nz1X1 THR 99 H -0.07 0.13 0.21 -0.55 8.28 7.99 2nz1X1 THR 99 HA -0.05 0.23 0.82 -0.75 4.39 4.64 2nz1X1 THR 99 HB 0.01 -0.07 0.13 -0.04 4.32 4.35 2nz1X1 THR 99 HG23 -0.01 0.14 0.07 -0.04 1.22 1.38 2nz1X1 PRO 100 HA -0.10 0.08 0.45 -0.51 4.44 4.35 2nz1X1 PRO 100 HB2 -0.05 0.03 0.04 -0.04 2.28 2.26 2nz1X1 PRO 100 HB3 -0.07 0.03 0.10 -0.04 2.02 2.04 2nz1X1 PRO 100 HG2 -0.05 0.05 0.09 -0.04 2.03 2.08 2nz1X1 PRO 100 HG3 -0.09 0.04 0.06 -0.04 2.03 2.00 2nz1X1 PRO 100 HD2 -0.04 0.11 0.23 -0.04 3.68 3.94 2nz1X1 PRO 100 HD3 -0.05 0.16 0.24 -0.04 3.65 3.96 2nz1X1 VAL 101 H -0.04 0.06 -0.26 -0.55 8.24 7.45 2nz1X1 VAL 101 HA -0.04 0.10 0.44 -0.75 4.13 3.88 2nz1X1 VAL 101 HB -0.03 0.06 -0.21 -0.04 2.12 1.90 2nz1X1 VAL 101 HG13 -0.03 -0.02 -0.09 -0.04 0.97 0.79 2nz1X1 VAL 101 HG23 -0.03 -0.04 -0.00 -0.04 0.95 0.84 2nz1X1 ASN 102 H -0.07 0.15 -0.28 -0.55 8.53 7.79 2nz1X1 ASN 102 HA -0.10 0.02 0.44 -0.75 4.76 4.36 2nz1X1 ASN 102 HB2 -0.08 0.10 0.16 -0.04 2.88 3.01 2nz1X1 ASN 102 HB3 -0.09 0.02 0.13 -0.04 2.79 2.81 2nz1X1 ASN 102 HD21 -0.27 0.62 0.20 -0.04 7.03 7.54 2nz1X1 ASN 102 HD22 -0.15 -0.08 0.13 -0.04 7.74 7.60 2nz1X1 ASP 103 H -0.06 0.07 0.11 -0.55 8.40 7.98 2nz1X1 ASP 103 HA -0.03 0.24 0.83 -0.75 4.63 4.91 2nz1X1 ASP 103 HB2 -0.03 0.05 0.21 -0.04 2.71 2.90 2nz1X1 ASP 103 HB3 -0.02 -0.23 0.30 -0.04 2.70 2.71 2nz1X1 LEU 104 H -0.02 0.15 0.18 -0.55 8.37 8.13 2nz1X1 LEU 104 HA -0.03 0.16 1.02 -0.75 4.35 4.75 2nz1X1 LEU 104 HB2 -0.01 -0.01 -0.01 -0.04 1.64 1.57 2nz1X1 LEU 104 HB3 -0.01 0.02 -0.13 -0.04 1.64 1.48 2nz1X1 LEU 104 HG 0.02 0.00 -0.33 -0.04 1.64 1.30 2nz1X1 LEU 104 HD13 0.01 -0.05 -0.39 -0.04 0.93 0.46 2nz1X1 LEU 104 HD23 0.01 -0.00 -0.08 -0.04 0.89 0.78 2nz1X1 VAL 105 H -0.06 0.56 0.29 -0.55 8.24 8.48 2nz1X1 VAL 105 HA -0.06 0.19 0.91 -0.75 4.13 4.42 2nz1X1 VAL 105 HB -0.14 0.03 0.03 -0.04 2.12 2.00 2nz1X1 VAL 105 HG13 -0.13 0.01 0.05 -0.04 0.97 0.85 2nz1X1 VAL 105 HG23 -0.15 0.03 -0.12 -0.04 0.95 0.67 2nz1X1 ARG 106 H -0.03 0.26 -0.01 -0.55 8.46 8.13 2nz1X1 ARG 106 HA -0.01 0.16 0.84 -0.75 4.34 4.57 2nz1X1 ARG 106 HB2 0.01 -0.12 -0.34 -0.04 1.90 1.41 2nz1X1 ARG 106 HB3 -0.00 -0.04 -0.50 -0.04 1.80 1.21 2nz1X1 ARG 106 HG2 0.02 0.28 -0.41 -0.04 1.67 1.52 2nz1X1 ARG 106 HG3 0.03 -0.05 -0.26 -0.04 1.67 1.34 2nz1X1 ARG 106 HD2 0.03 -0.05 -0.62 -0.04 3.22 2.55 2nz1X1 ARG 106 HD3 0.05 0.01 -0.18 -0.04 3.22 3.05 2nz1X1 VAL 107 H -0.02 0.38 0.25 -0.55 8.24 8.30 2nz1X1 VAL 107 HA 0.00 0.25 1.03 -0.75 4.13 4.66 2nz1X1 VAL 107 HB 0.03 0.18 0.04 -0.04 2.12 2.33 2nz1X1 VAL 107 HG13 -0.05 -0.02 -0.10 -0.04 0.97 0.76 2nz1X1 VAL 107 HG23 -0.01 -0.02 -0.13 -0.04 0.95 0.74 2nz1X1 LEU 108 H 0.04 0.34 0.30 -0.55 8.37 8.51 2nz1X1 LEU 108 HA 0.09 0.25 0.92 -0.75 4.35 4.85 2nz1X1 LEU 108 HB2 0.03 0.02 0.10 -0.04 1.64 1.75 2nz1X1 LEU 108 HB3 0.04 -0.11 -0.04 -0.04 1.64 1.49 2nz1X1 LEU 108 HG 0.05 -0.03 -0.02 -0.04 1.64 1.59 2nz1X1 LEU 108 HD13 0.06 0.12 0.07 -0.04 0.93 1.13 2nz1X1 LEU 108 HD23 0.01 -0.03 -0.12 -0.04 0.89 0.71 2nz1X1 VAL 109 H 0.20 0.45 0.20 -0.55 8.24 8.54 2nz1X1 VAL 109 HA 0.12 0.37 1.15 -0.75 4.13 5.02 2nz1X1 VAL 109 HB 0.27 -0.11 0.01 -0.04 2.12 2.25 2nz1X1 VAL 109 HG13 0.05 -0.01 -0.20 -0.04 0.97 0.77 2nz1X1 VAL 109 HG23 0.02 0.01 -0.31 -0.04 0.95 0.63 2nz1X1 VAL 110 H 0.16 0.72 0.36 -0.55 8.24 8.93 2nz1X1 VAL 110 HA 0.21 0.38 1.23 -0.75 4.13 5.20 2nz1X1 VAL 110 HB 0.09 -0.06 0.06 -0.04 2.12 2.16 2nz1X1 VAL 110 HG13 0.08 0.01 -0.22 -0.04 0.97 0.80 2nz1X1 VAL 110 HG23 0.05 -0.01 -0.23 -0.04 0.95 0.72 2nz1X1 ALA 111 H 0.23 0.58 0.35 -0.55 8.40 9.02 2nz1X1 ALA 111 HA 0.33 0.32 1.10 -0.75 4.34 5.34 2nz1X1 ALA 111 HB3 0.42 -0.02 0.00 -0.04 1.41 1.77 2nz1X1 GLU 112 H 0.33 0.58 0.36 -0.55 8.60 9.32 2nz1X1 GLU 112 HA 0.06 0.19 0.64 -0.75 4.29 4.43 2nz1X1 GLU 112 HB2 -0.02 0.12 0.24 -0.04 2.09 2.39 2nz1X1 GLU 112 HB3 0.07 -0.08 -0.11 -0.04 1.99 1.82 2nz1X1 GLU 112 HG2 0.10 -0.04 -0.15 -0.04 2.34 2.21 2nz1X1 GLU 112 HG3 0.07 0.07 -0.26 -0.04 2.34 2.17 2nz1X1 SER 113 H -0.19 0.54 0.30 -0.55 8.46 8.57 2nz1X1 SER 113 HA 0.06 0.29 0.29 -0.75 4.49 4.38 2nz1X1 SER 113 HB2 0.21 0.15 -0.14 -0.04 3.95 4.13 2nz1X1 SER 113 HB3 0.25 -0.04 -0.27 -0.04 3.93 3.84 2nz1X1 ASN 114 H 0.03 0.47 0.14 -0.55 8.53 8.61 2nz1X1 ASN 114 HA -0.09 0.03 0.50 -0.75 4.76 4.45 2nz1X1 ASN 114 HB2 -0.01 0.00 -0.05 -0.04 2.88 2.78 2nz1X1 ASN 114 HB3 -0.06 -0.01 -0.04 -0.04 2.79 2.65 2nz1X1 ASN 114 HD21 -0.02 0.02 -0.06 -0.04 7.03 6.92 2nz1X1 ASN 114 HD22 -0.03 -0.01 -0.04 -0.04 7.74 7.61 2nz1X1 THR 115 H -0.21 0.09 0.10 -0.55 8.28 7.71 2nz1X1 THR 115 HA -1.54 0.15 0.53 -0.75 4.39 2.79 2nz1X1 THR 115 HB -0.41 0.07 -0.01 -0.04 4.32 3.93 2nz1X1 THR 115 HG23 -0.13 -0.01 0.01 -0.04 1.22 1.05 2nz1X1 PRO 116 HA -0.03 -0.03 0.45 -0.51 4.44 4.32 2nz1X1 PRO 116 HB2 0.09 0.05 -0.07 -0.04 2.28 2.31 2nz1X1 PRO 116 HB3 0.11 -0.00 0.05 -0.04 2.02 2.14 2nz1X1 PRO 116 HG2 0.15 0.06 0.00 -0.04 2.03 2.20 2nz1X1 PRO 116 HG3 0.46 -0.00 0.06 -0.04 2.03 2.50 2nz1X1 PRO 116 HD2 -1.09 0.03 0.21 -0.04 3.68 2.79 2nz1X1 PRO 116 HD3 -0.17 0.33 0.21 -0.04 3.65 3.98 2nz1X1 GLU 117 H -0.01 0.07 0.11 -0.55 8.60 8.23 2nz1X1 GLU 117 HA -0.00 0.08 0.32 -0.75 4.29 3.94 2nz1X1 GLU 117 HB2 0.01 0.01 -0.01 -0.04 2.09 2.06 2nz1X1 GLU 117 HB3 -0.00 0.03 0.11 -0.04 1.99 2.08 2nz1X1 GLU 117 HG2 0.01 -0.05 0.17 -0.04 2.34 2.43 2nz1X1 GLU 117 HG3 0.01 -0.02 0.08 -0.04 2.34 2.37 2nz1X1 GLU 118 H 0.03 0.03 -0.07 -0.55 8.60 8.04 2nz1X1 GLU 118 HA 0.04 0.04 0.51 -0.75 4.29 4.13 2nz1X1 GLU 118 HB2 0.04 -0.03 0.07 -0.04 2.09 2.12 2nz1X1 GLU 118 HB3 0.04 0.07 -0.04 -0.04 1.99 2.02 2nz1X1 GLU 118 HG2 0.02 -0.08 0.03 -0.04 2.34 2.28 2nz1X1 GLU 118 HG3 0.02 0.00 0.00 -0.04 2.34 2.32 2nz1X1 THR 119 H 0.06 0.09 0.17 -0.55 8.28 8.06 2nz1X1 THR 119 HA 0.15 0.11 0.30 -0.75 4.39 4.20 2nz1X1 THR 119 HB 0.07 -0.08 0.14 -0.04 4.32 4.41 2nz1X1 THR 119 HG23 0.11 0.06 -0.08 -0.04 1.22 1.27 2nz1X1 PRO 120 HA 0.12 0.01 0.40 -0.51 4.44 4.45 2nz1X1 PRO 120 HB2 0.30 -0.09 0.06 -0.04 2.28 2.51 2nz1X1 PRO 120 HB3 0.29 -0.02 0.12 -0.04 2.02 2.37 2nz1X1 PRO 120 HG2 0.44 0.21 -0.06 -0.04 2.03 2.58 2nz1X1 PRO 120 HG3 0.83 -0.01 0.03 -0.04 2.03 2.84 2nz1X1 PRO 120 HD2 0.31 0.03 0.15 -0.04 3.68 4.13 2nz1X1 PRO 120 HD3 0.30 0.16 0.11 -0.04 3.65 4.18 2nz1X1 GLU 121 H 0.07 0.03 0.13 -0.55 8.60 8.28 2nz1X1 GLU 121 HA 0.06 0.07 0.41 -0.75 4.29 4.07 2nz1X1 GLU 121 HB2 0.04 -0.12 0.20 -0.04 2.09 2.16 2nz1X1 GLU 121 HB3 0.03 0.01 0.05 -0.04 1.99 2.04 2nz1X1 GLU 121 HG2 0.01 -0.02 0.12 -0.04 2.34 2.41 2nz1X1 GLU 121 HG3 -0.01 -0.00 0.07 -0.04 2.34 2.35 2nz1X1 GLU 122 H 0.14 -0.00 -0.00 -0.55 8.60 8.19 2nz1X1 GLU 122 HA 0.11 0.20 0.77 -0.75 4.29 4.61 2nz1X1 GLU 122 HB2 0.12 -0.06 0.13 -0.04 2.09 2.24 2nz1X1 GLU 122 HB3 0.08 -0.04 0.03 -0.04 1.99 2.02 2nz1X1 GLU 122 HG2 0.38 0.19 -0.28 -0.04 2.34 2.59 2nz1X1 GLU 122 HG3 0.18 0.00 -0.03 -0.04 2.34 2.45 2nz1X1 GLU 123 H 0.12 0.05 0.11 -0.55 8.60 8.33 2nz1X1 GLU 123 HA 0.08 0.13 0.50 -0.75 4.29 4.25 2nz1X1 GLU 123 HB2 0.07 -0.04 0.04 -0.04 2.09 2.12 2nz1X1 GLU 123 HB3 0.03 0.08 0.09 -0.04 1.99 2.15 2nz1X1 GLU 123 HG2 0.01 0.03 0.03 -0.04 2.34 2.37 2nz1X1 GLU 123 HG3 0.05 -0.03 0.02 -0.04 2.34 2.34 2nz1X1 PHE 124 H -0.06 0.18 0.19 -0.55 8.34 8.10 2nz1X1 PHE 124 HA -0.30 0.01 0.52 -0.75 4.62 4.09 2nz1X1 PHE 124 HB2 -0.87 0.05 0.20 -0.04 3.15 2.48 2nz1X1 PHE 124 HB3 -0.44 0.10 0.20 -0.04 3.06 2.88 2nz1X1 PHE 124 HD2 -0.89 -0.02 -0.16 -0.04 7.28 6.17 2nz1X1 PHE 124 HE2 -0.06 0.00 -0.27 -0.04 7.38 7.01 2nz1X1 PHE 124 HZ 0.29 -0.04 -0.45 -0.04 7.32 7.07 2nz1X1 TYR 125 H -0.15 0.16 0.23 -0.55 8.29 7.98 2nz1X1 TYR 125 HA -0.27 0.20 0.88 -0.75 4.56 4.62 2nz1X1 TYR 125 HB2 -0.00 0.06 -0.17 -0.04 3.06 2.90 2nz1X1 TYR 125 HB3 0.06 -0.09 0.03 -0.04 2.98 2.94 2nz1X1 TYR 125 HD2 0.01 -0.03 -0.13 -0.04 7.15 6.96 2nz1X1 TYR 125 HE2 0.04 -0.02 -0.12 -0.04 6.85 6.71 2nz1X1 ALA 126 H -1.03 0.28 0.15 -0.55 8.40 7.25 2nz1X1 ALA 126 HA -0.90 0.43 0.80 -0.75 4.34 3.92 2nz1X1 ALA 126 HB3 -0.62 0.00 -0.12 -0.04 1.41 0.63 2nz1X1 TYR 127 H -0.41 0.51 0.31 -0.55 8.29 8.15 2nz1X1 TYR 127 HA -0.38 0.18 0.91 -0.75 4.56 4.51 2nz1X1 TYR 127 HB2 -0.02 -0.00 -0.04 -0.04 3.06 2.96 2nz1X1 TYR 127 HB3 -0.08 -0.02 0.13 -0.04 2.98 2.97 2nz1X1 TYR 127 HD2 -0.08 0.03 -0.05 -0.04 7.15 7.01 2nz1X1 TYR 127 HE2 -0.08 -0.04 -0.22 -0.04 6.85 6.47 2nz1X1 VAL 128 H -1.13 0.23 0.17 -0.55 8.24 6.95 2nz1X1 VAL 128 HA -0.46 0.46 1.21 -0.75 4.13 4.58 2nz1X1 VAL 128 HB -0.86 -0.03 -0.01 -0.04 2.12 1.18 2nz1X1 VAL 128 HG13 -0.24 0.02 -0.15 -0.04 0.97 0.56 2nz1X1 VAL 128 HG23 -0.33 -0.01 -0.21 -0.04 0.95 0.36 2nz1X1 GLU 129 H -0.29 0.51 0.36 -0.55 8.60 8.63 2nz1X1 GLU 129 HA -0.31 0.17 0.81 -0.75 4.29 4.21 2nz1X1 GLU 129 HB2 -0.15 0.03 -0.13 -0.04 2.09 1.79 2nz1X1 GLU 129 HB3 -0.38 -0.04 -0.21 -0.04 1.99 1.32 2nz1X1 GLU 129 HG2 -0.15 0.06 0.09 -0.04 2.34 2.30 2nz1X1 GLU 129 HG3 -0.08 -0.01 -0.19 -0.04 2.34 2.02 2nz1X1 LEU 130 H -0.06 0.80 0.20 -0.55 8.37 8.76 2nz1X1 LEU 130 HA -0.00 0.42 1.03 -0.75 4.35 5.04 2nz1X1 LEU 130 HB2 0.04 -0.07 0.17 -0.04 1.64 1.74 2nz1X1 LEU 130 HB3 0.02 0.04 -0.03 -0.04 1.64 1.62 2nz1X1 LEU 130 HG -0.07 -0.07 -0.27 -0.04 1.64 1.18 2nz1X1 LEU 130 HD13 -0.04 0.00 -0.16 -0.04 0.93 0.70 2nz1X1 LEU 130 HD23 0.00 0.06 -0.17 -0.04 0.89 0.73 2nz1X1 GLN 131 H -0.00 0.46 0.19 -0.55 8.47 8.57 2nz1X1 GLN 131 HA -0.06 0.06 1.05 -0.75 4.36 4.65 2nz1X1 GLN 131 HB2 -0.07 0.08 -0.03 -0.04 2.15 2.10 2nz1X1 GLN 131 HB3 -0.06 -0.07 -0.05 -0.04 2.02 1.81 2nz1X1 GLN 131 HG2 0.00 -0.01 0.08 -0.04 2.40 2.43 2nz1X1 GLN 131 HG3 0.00 0.06 -0.18 -0.04 2.39 2.24 2nz1X1 GLN 131 HE21 -0.00 -0.04 -0.09 -0.04 6.97 6.80 2nz1X1 GLN 131 HE22 0.00 0.07 -0.16 -0.04 7.69 7.56 2nz1X1 THR 132 H -0.05 0.41 0.15 -0.55 8.28 8.24 2nz1X1 THR 132 HA 0.05 0.28 0.77 -0.75 4.39 4.73 2nz1X1 THR 132 HB 0.15 -0.11 0.16 -0.04 4.32 4.47 2nz1X1 THR 132 HG23 0.09 0.02 -0.10 -0.04 1.22 1.19 2nz1X1 GLU 133 H 0.09 0.13 0.09 -0.55 8.60 8.36 2nz1X1 GLU 133 HA 0.03 0.12 0.36 -0.75 4.29 4.04 2nz1X1 GLU 133 HB2 0.06 0.04 0.13 -0.04 2.09 2.28 2nz1X1 GLU 133 HB3 0.08 -0.06 0.11 -0.04 1.99 2.07 2nz1X1 GLU 133 HG2 0.04 -0.00 -0.09 -0.04 2.34 2.25 2nz1X1 GLU 133 HG3 0.03 0.02 0.04 -0.04 2.34 2.40 2nz1X1 LEU 134 H 0.09 -0.01 -0.07 -0.55 8.37 7.83 2nz1X1 LEU 134 HA 0.03 0.20 0.73 -0.75 4.35 4.56 2nz1X1 LEU 134 HB2 0.14 -0.07 0.14 -0.04 1.64 1.80 2nz1X1 LEU 134 HB3 0.08 0.02 -0.03 -0.04 1.64 1.67 2nz1X1 LEU 134 HG 0.09 -0.05 -0.03 -0.04 1.64 1.61 2nz1X1 LEU 134 HD13 0.10 0.01 -0.01 -0.04 0.93 0.98 2nz1X1 LEU 134 HD23 0.04 0.03 -0.06 -0.04 0.89 0.86 2nz1X1 TYR 135 H -0.02 0.05 0.04 -0.55 8.29 7.81 2nz1X1 TYR 135 HA -0.18 0.25 0.98 -0.75 4.56 4.86 2nz1X1 TYR 135 HB2 -0.24 0.00 -0.04 -0.04 3.06 2.75 2nz1X1 TYR 135 HB3 -0.57 -0.02 0.04 -0.04 2.98 2.39 2nz1X1 TYR 135 HD2 -1.30 0.00 -0.12 -0.04 7.15 5.70 2nz1X1 TYR 135 HE2 -0.48 -0.03 -0.05 -0.04 6.85 6.25 2nz1X1 THR 136 H -1.07 0.19 0.10 -0.55 8.28 6.94 2nz1X1 THR 136 HA -0.33 0.16 0.96 -0.75 4.39 4.42 2nz1X1 THR 136 HB -0.40 -0.04 0.11 -0.04 4.32 3.96 2nz1X1 THR 136 HG23 -0.17 -0.01 -0.38 -0.04 1.22 0.62 2nz1X1 PHE 137 H 0.05 0.62 0.22 -0.55 8.34 8.67 2nz1X1 PHE 137 HA 0.02 0.02 0.57 -0.75 4.62 4.47 2nz1X1 PHE 137 HB2 -0.07 0.02 0.20 -0.04 3.15 3.26 2nz1X1 PHE 137 HB3 0.01 0.03 -0.02 -0.04 3.06 3.04 2nz1X1 PHE 137 HD2 -0.01 0.14 0.05 -0.04 7.28 7.42 2nz1X1 PHE 137 HE2 -0.34 0.01 0.02 -0.04 7.38 7.04 2nz1X1 PHE 137 HZ -0.35 -0.03 0.02 -0.04 7.32 6.92 2nz1X1 GLY 138 H 0.01 0.16 0.26 -0.55 8.43 8.31 2nz1X1 GLY 138 HA2 -0.16 0.14 0.81 -0.51 4.01 4.29 2nz1X1 GLY 138 HA3 0.02 -0.01 0.29 -0.51 4.01 3.80 2nz1X1 LEU 139 H -0.49 0.52 0.23 -0.55 8.37 8.09 2nz1X1 LEU 139 HA -0.15 0.14 0.80 -0.75 4.35 4.38 2nz1X1 LEU 139 HB2 -1.07 0.12 0.27 -0.04 1.64 0.92 2nz1X1 LEU 139 HB3 -1.50 -0.03 0.10 -0.04 1.64 0.17 2nz1X1 LEU 139 HG -0.54 -0.04 -0.14 -0.04 1.64 0.88 2nz1X1 LEU 139 HD13 -0.03 0.01 -0.19 -0.04 0.93 0.68 2nz1X1 LEU 139 HD23 -0.26 -0.00 -0.40 -0.04 0.89 0.19 2nz1X1 SER 140 H 0.07 0.28 -0.06 -0.55 8.46 8.20 2nz1X1 SER 140 HA 0.21 0.14 0.40 -0.75 4.49 4.48 2nz1X1 SER 140 HB2 0.11 -0.06 0.18 -0.04 3.95 4.14 2nz1X1 SER 140 HB3 0.11 0.11 0.08 -0.04 3.93 4.19 2nz1X1 ASP 141 H 0.16 0.18 0.20 -0.55 8.40 8.38 2nz1X1 ASP 141 HA 0.25 0.15 0.48 -0.75 4.63 4.76 2nz1X1 ASP 141 HB2 0.10 -0.03 0.13 -0.04 2.71 2.86 2nz1X1 ASP 141 HB3 0.09 0.05 0.09 -0.04 2.70 2.88 2nz1X1 ASP 142 H 0.13 -0.01 -0.31 -0.55 8.40 7.66 2nz1X1 ASP 142 HA 0.08 0.16 0.58 -0.75 4.63 4.70 2nz1X1 ASP 142 HB2 0.08 -0.02 0.03 -0.04 2.71 2.77 2nz1X1 ASP 142 HB3 0.07 0.04 0.13 -0.04 2.70 2.90 2nz1X1 ASN 143 H 0.24 0.46 -0.45 -0.55 8.53 8.23 2nz1X1 ASN 143 HA 0.15 0.18 0.83 -0.75 4.76 5.17 2nz1X1 ASN 143 HB2 0.33 0.10 0.02 -0.04 2.88 3.29 2nz1X1 ASN 143 HB3 0.25 -0.01 0.23 -0.04 2.79 3.23 2nz1X1 ASN 143 HD21 0.11 -0.10 0.11 -0.04 7.03 7.11 2nz1X1 ASN 143 HD22 0.12 0.68 0.36 -0.04 7.74 8.86 2nz1X1 VAL 144 H 0.19 0.15 -0.27 -0.55 8.24 7.77 2nz1X1 VAL 144 HA -0.18 0.10 0.54 -0.75 4.13 3.85 2nz1X1 VAL 144 HB -0.01 0.07 0.15 -0.04 2.12 2.29 2nz1X1 VAL 144 HG13 -0.26 -0.01 -0.10 -0.04 0.97 0.56 2nz1X1 VAL 144 HG23 0.01 -0.03 0.11 -0.04 0.95 1.00 2nz1X1 VAL 145 H -0.10 0.80 0.51 -0.55 8.24 8.90 2nz1X1 VAL 145 HA 0.01 0.14 0.92 -0.75 4.13 4.45 2nz1X1 VAL 145 HB 0.05 -0.09 -0.10 -0.04 2.12 1.93 2nz1X1 VAL 145 HG13 0.06 0.04 -0.17 -0.04 0.97 0.86 2nz1X1 VAL 145 HG23 0.04 0.01 -0.27 -0.04 0.95 0.69 2nz1X1 PHE 146 H -0.12 0.23 0.25 -0.55 8.34 8.15 2nz1X1 PHE 146 HA -0.11 0.05 0.40 -0.75 4.62 4.21 2nz1X1 PHE 146 HB2 -0.08 0.20 -0.08 -0.04 3.15 3.15 2nz1X1 PHE 146 HB3 -0.13 -0.08 -0.08 -0.04 3.06 2.74 2nz1X1 PHE 146 HD2 -0.10 -0.03 -0.30 -0.04 7.28 6.81 2nz1X1 PHE 146 HE2 -0.08 -0.01 -0.20 -0.04 7.38 7.04 2nz1X1 PHE 146 HZ -0.08 -0.00 -0.22 -0.04 7.32 6.98 2nz1X1 THR 147 H -1.00 0.27 0.20 -0.55 8.28 7.20 2nz1X1 THR 147 HA -0.33 0.29 1.06 -0.75 4.39 4.66 2nz1X1 THR 147 HB -0.24 0.10 0.09 -0.04 4.32 4.24 2nz1X1 THR 147 HG23 -0.26 -0.03 -0.08 -0.04 1.22 0.81 2nz1X1 SER 148 H -0.19 0.55 0.35 -0.55 8.46 8.62 2nz1X1 SER 148 HA -0.21 0.15 0.68 -0.75 4.49 4.36 2nz1X1 SER 148 HB2 -0.01 -0.09 0.17 -0.04 3.95 3.99 2nz1X1 SER 148 HB3 0.11 0.12 -0.07 -0.04 3.93 4.05 2nz1X1 ASP 149 H -0.09 0.17 0.16 -0.55 8.40 8.09 2nz1X1 ASP 149 HA -0.25 0.10 0.45 -0.75 4.63 4.18 2nz1X1 ASP 149 HB2 0.02 -0.01 0.11 -0.04 2.71 2.79 2nz1X1 ASP 149 HB3 -0.29 0.05 0.08 -0.04 2.70 2.51 2nz1X1 TYR 150 H -0.12 0.01 -0.20 -0.55 8.29 7.43 2nz1X1 TYR 150 HA -0.97 0.22 0.81 -0.75 4.56 3.86 2nz1X1 TYR 150 HB2 -0.29 -0.05 -0.02 -0.04 3.06 2.66 2nz1X1 TYR 150 HB3 -0.60 0.09 0.07 -0.04 2.98 2.50 2nz1X1 TYR 150 HD2 -0.51 -0.07 -0.11 -0.04 7.15 6.42 2nz1X1 TYR 150 HE2 -0.27 -0.02 -0.02 -0.04 6.85 6.50 2nz1X1 MET 151 H -0.14 0.17 -0.14 -0.55 8.47 7.82 2nz1X1 MET 151 HA 0.01 0.42 0.92 -0.75 4.52 5.11 2nz1X1 MET 151 HB2 -0.03 0.03 -0.23 -0.04 2.15 1.88 2nz1X1 MET 151 HB3 0.05 -0.11 -0.06 -0.04 2.03 1.87 2nz1X1 MET 151 HG2 0.05 0.03 -0.32 -0.04 2.63 2.35 2nz1X1 MET 151 HG3 0.05 0.04 -0.10 -0.04 2.56 2.51 2nz1X1 MET 151 HE3 -0.06 -0.01 -0.18 -0.04 2.10 1.81 2nz1X1 THR 152 H 0.05 0.63 0.37 -0.55 8.28 8.78 2nz1X1 THR 152 HA -0.29 0.24 1.18 -0.75 4.39 4.78 2nz1X1 THR 152 HB -0.68 -0.05 0.12 -0.04 4.32 3.67 2nz1X1 THR 152 HG23 -1.42 0.00 -0.03 -0.04 1.22 -0.26 2nz1X1 VAL 153 H -0.38 0.83 0.42 -0.55 8.24 8.57 2nz1X1 VAL 153 HA -0.09 0.36 1.26 -0.75 4.13 4.91 2nz1X1 VAL 153 HB 0.04 -0.11 0.07 -0.04 2.12 2.08 2nz1X1 VAL 153 HG13 0.03 0.02 -0.13 -0.04 0.97 0.84 2nz1X1 VAL 153 HG23 0.02 -0.01 -0.24 -0.04 0.95 0.68 2nz1X1 TRP 154 H 0.36 0.71 0.39 -0.55 7.97 8.88 2nz1X1 TRP 154 HA 0.03 0.16 0.95 -0.75 4.62 5.01 2nz1X1 TRP 154 HB2 -0.00 -0.03 0.02 -0.04 3.23 3.17 2nz1X1 TRP 154 HB3 0.01 0.01 0.01 -0.04 3.23 3.22 2nz1X1 TRP 154 HD1 0.02 -0.04 -0.28 -0.04 7.22 6.88 2nz1X1 TRP 154 HE1 0.01 -0.02 -0.10 -0.04 10.20 10.04 2nz1X1 TRP 154 HE3 -0.01 0.18 -0.19 -0.04 7.59 7.53 2nz1X1 TRP 154 HZ2 -0.15 0.16 0.05 -0.04 7.44 7.46 2nz1X1 TRP 154 HZ3 -0.03 -0.04 -0.21 -0.04 7.13 6.80 2nz1X1 TRP 154 HH2 -0.20 -0.03 -0.13 -0.04 7.19 6.79 2nz1X1 MET 155 H 0.27 0.47 0.31 -0.55 8.47 8.97 2nz1X1 MET 155 HA 0.12 0.26 0.89 -0.75 4.52 5.03 2nz1X1 MET 155 HB2 0.09 -0.02 -0.16 -0.04 2.15 2.02 2nz1X1 MET 155 HB3 0.10 -0.01 0.03 -0.04 2.03 2.11 2nz1X1 MET 155 HG2 0.07 -0.05 -0.19 -0.04 2.63 2.41 2nz1X1 MET 155 HG3 0.06 0.19 0.01 -0.04 2.56 2.78 2nz1X1 MET 155 HE3 0.06 0.00 -0.18 -0.04 2.10 1.94 2nz1X1 ILE 156 H 0.06 0.51 0.19 -0.55 8.25 8.46 2nz1X1 ILE 156 HA 0.07 -0.01 0.45 -0.75 4.18 3.94 2nz1X1 ILE 156 HB 0.09 0.15 -0.18 -0.04 1.89 1.91 2nz1X1 ILE 156 HG12 0.09 0.09 -0.21 -0.04 1.49 1.43 2nz1X1 ILE 156 HG13 0.11 -0.07 0.14 -0.04 1.21 1.34 2nz1X1 ILE 156 HG23 0.01 -0.00 -0.24 -0.04 0.93 0.66 2nz1X1 ILE 156 HD13 0.17 -0.02 -0.05 -0.04 0.88 0.94 2nz1X1 ASP 157 H 0.05 0.13 0.12 -0.55 8.40 8.16 2nz1X1 ASP 157 HA -0.01 0.25 0.77 -0.75 4.63 4.89 2nz1X1 ASP 157 HB2 0.04 -0.03 0.09 -0.04 2.71 2.77 2nz1X1 ASP 157 HB3 0.02 -0.00 -0.12 -0.04 2.70 2.55 2nz1X1 ILE 158 H -0.07 0.57 0.29 -0.55 8.25 8.49 2nz1X1 ILE 158 HA -0.11 0.18 0.90 -0.75 4.18 4.39 2nz1X1 ILE 158 HB -0.26 0.04 -0.01 -0.04 1.89 1.62 2nz1X1 ILE 158 HG12 -0.99 -0.00 -0.19 -0.04 1.49 0.27 2nz1X1 ILE 158 HG13 -0.23 -0.09 -0.72 -0.04 1.21 0.14 2nz1X1 ILE 158 HG23 -0.78 0.04 -0.11 -0.04 0.93 0.04 2nz1X1 ILE 158 HD13 -0.32 0.00 -0.15 -0.04 0.88 0.38 2nz1X1 PRO 159 HA 0.00 0.20 0.49 -0.51 4.44 4.62 2nz1X1 PRO 159 HB2 0.02 -0.10 0.07 -0.04 2.28 2.23 2nz1X1 PRO 159 HB3 -0.03 0.14 0.06 -0.04 2.02 2.15 2nz1X1 PRO 159 HG2 0.44 0.01 0.06 -0.04 2.03 2.50 2nz1X1 PRO 159 HG3 0.15 0.08 0.02 -0.04 2.03 2.23 2nz1X1 PRO 159 HD2 0.53 0.07 0.18 -0.04 3.68 4.42 2nz1X1 PRO 159 HD3 0.25 0.18 0.16 -0.04 3.65 4.21 2nz1X1 LYS 160 H -0.06 0.50 0.28 -0.55 8.42 8.58 2nz1X1 LYS 160 HA -0.11 0.07 0.30 -0.75 4.32 3.83 2nz1X1 LYS 160 HB2 -0.08 -0.06 0.03 -0.04 1.87 1.72 2nz1X1 LYS 160 HB3 -0.09 0.30 -0.16 -0.04 1.79 1.79 2nz1X1 LYS 160 HG2 -0.13 0.02 -0.01 -0.04 1.46 1.29 2nz1X1 LYS 160 HG3 -0.08 -0.05 -0.20 -0.04 1.46 1.09 2nz1X1 LYS 160 HD2 -0.07 -0.16 -0.04 -0.04 1.69 1.38 2nz1X1 LYS 160 HD3 -0.08 0.19 0.05 -0.04 1.68 1.79 2nz1X1 LYS 160 HE2 -0.13 0.08 -0.02 -0.04 2.99 2.88 2nz1X1 LYS 160 HE3 -0.07 0.03 -0.18 -0.04 2.99 2.73 2nz1X1 SER 161 H -0.13 0.14 -0.44 -0.55 8.46 7.48 2nz1X1 SER 161 HA -0.10 0.04 0.08 -0.75 4.49 3.75 2nz1X1 SER 161 HB2 -0.18 0.00 -0.19 -0.04 3.95 3.54 2nz1X1 SER 161 HB3 -0.12 -0.04 -0.59 -0.04 3.93 3.14 2nz1X1 TYR 162 H -0.04 0.50 -0.53 -0.55 8.29 7.67 2nz1X1 TYR 162 HA -0.03 0.03 0.47 -0.75 4.56 4.28 2nz1X1 TYR 162 HB2 -0.12 0.26 0.03 -0.04 3.06 3.19 2nz1X1 TYR 162 HB3 -0.02 -0.04 -0.07 -0.04 2.98 2.80 2nz1X1 TYR 162 HD2 0.10 0.05 0.04 -0.04 7.15 7.30 2nz1X1 TYR 162 HE2 0.16 -0.05 0.01 -0.04 6.85 6.93 2nz1X1 VAL 163 H -0.08 0.28 -0.26 -0.55 8.24 7.63 2nz1X1 VAL 163 HA -0.33 0.03 0.44 -0.75 4.13 3.52 2nz1X1 VAL 163 HB -0.19 0.13 0.19 -0.04 2.12 2.21 2nz1X1 VAL 163 HG13 -0.16 -0.01 -0.06 -0.04 0.97 0.69 2nz1X1 VAL 163 HG23 -0.15 -0.01 -0.10 -0.04 0.95 0.66 2nz1X1 ASP 164 H -0.44 0.57 0.22 -0.55 8.40 8.20 2nz1X1 ASP 164 HA -0.50 0.12 0.54 -0.75 4.63 4.04 2nz1X1 ASP 164 HB2 -0.13 -0.01 -0.33 -0.04 2.71 2.20 2nz1X1 ASP 164 HB3 -0.09 0.16 -0.08 -0.04 2.70 2.64 2nz1X1 VAL 165 H 0.03 0.09 0.10 -0.55 8.24 7.92 2nz1X1 VAL 165 HA 0.27 0.11 0.44 -0.75 4.13 4.20 2nz1X1 VAL 165 HB 0.09 -0.02 0.05 -0.04 2.12 2.19 2nz1X1 VAL 165 HG13 0.11 0.01 -0.02 -0.04 0.97 1.02 2nz1X1 VAL 165 HG23 0.16 0.02 0.03 -0.04 0.95 1.11 2nz1X1 GLY 166 H 0.13 0.19 0.09 -0.55 8.43 8.30 2nz1X1 GLY 166 HA2 0.06 -0.05 0.34 -0.51 4.01 3.86 2nz1X1 GLY 166 HA3 0.05 0.17 0.84 -0.51 4.01 4.56 2nz1X1 MET 167 H 0.02 0.50 -0.09 -0.55 8.47 8.35 2nz1X1 MET 167 HA 0.06 0.18 0.57 -0.75 4.52 4.58 2nz1X1 MET 167 HB2 -0.03 0.14 0.10 -0.04 2.15 2.31 2nz1X1 MET 167 HB3 -0.05 0.06 0.17 -0.04 2.03 2.17 2nz1X1 MET 167 HG2 0.14 -0.04 -0.40 -0.04 2.63 2.30 2nz1X1 MET 167 HG3 0.05 -0.03 -0.24 -0.04 2.56 2.30 2nz1X1 MET 167 HE3 -0.16 -0.02 -0.23 -0.04 2.10 1.66 2nz1X1 LEU 168 H 0.06 0.63 0.37 -0.55 8.37 8.88 2nz1X1 LEU 168 HA 0.09 0.13 0.90 -0.75 4.35 4.71 2nz1X1 LEU 168 HB2 0.05 0.09 0.02 -0.04 1.64 1.76 2nz1X1 LEU 168 HB3 0.03 -0.10 0.08 -0.04 1.64 1.61 2nz1X1 LEU 168 HG 0.03 0.03 -0.14 -0.04 1.64 1.52 2nz1X1 LEU 168 HD13 0.05 0.01 -0.15 -0.04 0.93 0.79 2nz1X1 LEU 168 HD23 0.03 -0.01 -0.09 -0.04 0.89 0.77 2nz1X1 THR 169 H 0.05 0.60 0.36 -0.55 8.28 8.74 2nz1X1 THR 169 HA 0.01 0.27 1.06 -0.75 4.39 4.97 2nz1X1 THR 169 HB 0.02 0.04 0.16 -0.04 4.32 4.50 2nz1X1 THR 169 HG23 -0.01 -0.01 -0.18 -0.04 1.22 0.98 2nz1X1 ARG 170 H -0.06 0.53 0.34 -0.55 8.46 8.71 2nz1X1 ARG 170 HA 0.01 0.20 1.10 -0.75 4.34 4.90 2nz1X1 ARG 170 HB2 0.01 0.00 -0.15 -0.04 1.90 1.72 2nz1X1 ARG 170 HB3 -0.03 -0.04 0.05 -0.04 1.80 1.74 2nz1X1 ARG 170 HG2 0.02 -0.01 -0.43 -0.04 1.67 1.21 2nz1X1 ARG 170 HG3 0.05 0.06 -0.12 -0.04 1.67 1.62 2nz1X1 ARG 170 HD2 0.02 -0.04 -0.14 -0.04 3.22 3.02 2nz1X1 ARG 170 HD3 0.06 -0.02 -0.16 -0.04 3.22 3.05 2nz1X1 ALA 171 H 0.07 0.83 0.39 -0.55 8.40 9.14 2nz1X1 ALA 171 HA -0.11 0.27 1.16 -0.75 4.34 4.90 2nz1X1 ALA 171 HB3 0.16 -0.01 -0.00 -0.04 1.41 1.51 2nz1X1 THR 172 H -0.15 0.44 0.32 -0.55 8.28 8.34 2nz1X1 THR 172 HA 0.30 0.27 1.12 -0.75 4.39 5.32 2nz1X1 THR 172 HB 0.17 -0.05 0.14 -0.04 4.32 4.54 2nz1X1 THR 172 HG23 0.20 -0.01 -0.17 -0.04 1.22 1.20 2nz1X1 PHE 173 H 0.57 0.66 0.39 -0.55 8.34 9.41 2nz1X1 PHE 173 HA 0.26 0.30 0.91 -0.75 4.62 5.33 2nz1X1 PHE 173 HB2 0.40 0.08 0.16 -0.04 3.15 3.75 2nz1X1 PHE 173 HB3 0.60 -0.12 0.29 -0.04 3.06 3.79 2nz1X1 PHE 173 HD2 0.31 0.05 -0.07 -0.04 7.28 7.53 2nz1X1 PHE 173 HE2 0.27 0.00 -0.18 -0.04 7.38 7.43 2nz1X1 PHE 173 HZ 0.19 0.04 -0.15 -0.04 7.32 7.36 2nz1X1 LEU 174 H 0.54 0.15 0.25 -0.55 8.37 8.77 2nz1X1 LEU 174 HA 0.13 0.32 0.97 -0.75 4.35 5.02 2nz1X1 LEU 174 HB2 0.26 -0.03 0.10 -0.04 1.64 1.93 2nz1X1 LEU 174 HB3 0.07 0.03 0.16 -0.04 1.64 1.87 2nz1X1 LEU 174 HG 0.27 -0.07 -0.09 -0.04 1.64 1.71 2nz1X1 LEU 174 HD13 -0.02 -0.00 -0.02 -0.04 0.93 0.85 2nz1X1 LEU 174 HD23 0.05 0.03 -0.13 -0.04 0.89 0.80 2nz1X1 GLU 175 H 0.03 0.15 0.13 -0.55 8.60 8.36 2nz1X1 GLU 175 HA -0.37 0.19 0.67 -0.75 4.29 4.03 2nz1X1 GLU 175 HB2 -2.01 -0.02 -0.04 -0.04 2.09 -0.03 2nz1X1 GLU 175 HB3 -0.84 -0.02 0.03 -0.04 1.99 1.13 2nz1X1 GLU 175 HG2 -0.23 -0.09 -0.46 -0.04 2.34 1.52 2nz1X1 GLU 175 HG3 -0.78 0.02 -0.08 -0.04 2.34 1.46 2nz1X1 GLN 176 H -0.54 0.18 -0.01 -0.55 8.47 7.55 2nz1X1 GLN 176 HA -1.40 0.17 0.64 -0.75 4.36 3.02 2nz1X1 GLN 176 HB2 -0.49 -0.01 0.14 -0.04 2.15 1.74 2nz1X1 GLN 176 HB3 -0.72 0.03 0.08 -0.04 2.02 1.36 2nz1X1 GLN 176 HG2 -1.77 0.04 -0.10 -0.04 2.40 0.53 2nz1X1 GLN 176 HG3 -0.66 -0.01 -0.09 -0.04 2.39 1.59 2nz1X1 GLN 176 HE21 -0.19 -0.04 -0.02 -0.04 6.97 6.68 2nz1X1 GLN 176 HE22 -0.36 0.01 -0.08 -0.04 7.69 7.21 2nz1X1 TRP 177 H -0.14 0.32 -0.45 -0.55 7.97 7.15 2nz1X1 TRP 177 HA 0.09 0.06 0.30 -0.75 4.62 4.31 2nz1X1 TRP 177 HB2 0.19 -0.03 0.04 -0.04 3.23 3.39 2nz1X1 TRP 177 HB3 0.23 0.13 -0.06 -0.04 3.23 3.49 2nz1X1 TRP 177 HD1 0.36 0.06 0.09 -0.04 7.22 7.69 2nz1X1 TRP 177 HE1 0.28 -0.13 0.16 -0.04 10.20 10.48 2nz1X1 TRP 177 HE3 0.18 0.09 0.01 -0.04 7.59 7.84 2nz1X1 TRP 177 HZ2 0.22 0.12 -0.13 -0.04 7.44 7.61 2nz1X1 TRP 177 HZ3 0.25 0.04 0.01 -0.04 7.13 7.38 2nz1X1 TRP 177 HH2 0.23 0.15 -0.12 -0.04 7.19 7.41 2nz1X1 PRO 178 HA 0.20 0.01 0.50 -0.51 4.44 4.63 2nz1X1 PRO 178 HB2 0.10 -0.00 0.09 -0.04 2.28 2.43 2nz1X1 PRO 178 HB3 0.09 0.01 0.10 -0.04 2.02 2.18 2nz1X1 PRO 178 HG2 0.07 -0.00 0.09 -0.04 2.03 2.14 2nz1X1 PRO 178 HG3 0.07 0.06 0.11 -0.04 2.03 2.23 2nz1X1 PRO 178 HD2 0.27 0.10 0.19 -0.04 3.68 4.20 2nz1X1 PRO 178 HD3 0.08 0.13 0.19 -0.04 3.65 4.01 2nz1X1 GLY 179 H 0.13 0.15 0.22 -0.55 8.43 8.39 2nz1X1 GLY 179 HA2 0.04 0.07 0.32 -0.51 4.01 3.93 2nz1X1 GLY 179 HA3 0.05 -0.01 0.43 -0.51 4.01 3.98 2nz1X1 ALA 180 H 0.17 0.21 -0.04 -0.55 8.40 8.20 2nz1X1 ALA 180 HA 0.11 0.34 0.68 -0.75 4.34 4.72 2nz1X1 ALA 180 HB3 -0.13 -0.03 0.06 -0.04 1.41 1.27 2nz1X1 LYS 181 H 0.14 0.58 0.43 -0.55 8.42 9.02 2nz1X1 LYS 181 HA -0.01 0.25 0.84 -0.75 4.32 4.65 2nz1X1 LYS 181 HB2 0.00 -0.02 -0.07 -0.04 1.87 1.74 2nz1X1 LYS 181 HB3 -0.02 -0.01 -0.11 -0.04 1.79 1.62 2nz1X1 LYS 181 HG2 0.04 0.21 -0.08 -0.04 1.46 1.59 2nz1X1 LYS 181 HG3 0.07 -0.11 -0.07 -0.04 1.46 1.31 2nz1X1 LYS 181 HD2 -0.01 -0.02 -0.21 -0.04 1.69 1.41 2nz1X1 LYS 181 HD3 -0.02 0.02 -0.16 -0.04 1.68 1.48 2nz1X1 LYS 181 HE2 0.00 0.01 -0.15 -0.04 2.99 2.81 2nz1X1 LYS 181 HE3 0.03 -0.05 -0.18 -0.04 2.99 2.75 2nz1X1 VAL 182 H 0.04 0.49 0.31 -0.55 8.24 8.52 2nz1X1 VAL 182 HA 0.17 0.33 1.16 -0.75 4.13 5.04 2nz1X1 VAL 182 HB 0.05 -0.05 0.09 -0.04 2.12 2.17 2nz1X1 VAL 182 HG13 0.05 -0.00 -0.17 -0.04 0.97 0.81 2nz1X1 VAL 182 HG23 0.21 -0.01 -0.14 -0.04 0.95 0.97 2nz1X1 THR 183 H 0.10 0.75 0.36 -0.55 8.28 8.94 2nz1X1 THR 183 HA -0.02 0.37 1.21 -0.75 4.39 5.20 2nz1X1 THR 183 HB 0.03 -0.07 0.01 -0.04 4.32 4.25 2nz1X1 THR 183 HG23 -0.06 -0.00 -0.38 -0.04 1.22 0.73 2nz1X1 VAL 184 H -0.02 0.75 0.26 -0.55 8.24 8.69 2nz1X1 VAL 184 HA 0.06 0.28 1.10 -0.75 4.13 4.81 2nz1X1 VAL 184 HB 0.10 -0.05 0.17 -0.04 2.12 2.30 2nz1X1 VAL 184 HG13 0.12 0.01 -0.25 -0.04 0.97 0.81 2nz1X1 VAL 184 HG23 0.05 -0.01 -0.19 -0.04 0.95 0.76 2nz1X1 MET 185 H 0.04 0.65 0.21 -0.55 8.47 8.82 2nz1X1 MET 185 HA 0.01 0.07 0.60 -0.75 4.52 4.45 2nz1X1 MET 185 HB2 0.02 -0.09 0.18 -0.04 2.15 2.21 2nz1X1 MET 185 HB3 -0.00 0.03 -0.08 -0.04 2.03 1.93 2nz1X1 MET 185 HG2 -0.04 -0.01 -0.21 -0.04 2.63 2.33 2nz1X1 MET 185 HG3 0.01 0.02 -0.18 -0.04 2.56 2.36 2nz1X1 MET 185 HE3 -0.04 0.01 -0.19 -0.04 2.10 1.84 2nz1X1 ILE 186 H 0.17 0.78 0.31 -0.55 8.25 8.96 2nz1X1 ILE 186 HA 0.01 0.23 0.99 -0.75 4.18 4.65 2nz1X1 ILE 186 HB 0.42 -0.03 0.18 -0.04 1.89 2.42 2nz1X1 ILE 186 HG12 0.14 0.00 -0.21 -0.04 1.49 1.38 2nz1X1 ILE 186 HG13 0.26 0.04 -0.42 -0.04 1.21 1.05 2nz1X1 ILE 186 HG23 -0.35 0.00 -0.19 -0.04 0.93 0.35 2nz1X1 ILE 186 HD13 0.58 -0.02 -0.10 -0.04 0.88 1.30 2nz1X1 PRO 187 HA 0.07 0.07 0.92 -0.51 4.44 4.99 2nz1X1 PRO 187 HB2 0.01 0.07 0.07 -0.04 2.28 2.38 2nz1X1 PRO 187 HB3 0.00 -0.05 0.08 -0.04 2.02 2.01 2nz1X1 PRO 187 HG2 -0.06 -0.09 0.20 -0.04 2.03 2.04 2nz1X1 PRO 187 HG3 -0.02 0.30 0.23 -0.04 2.03 2.51 2nz1X1 PRO 187 HD2 -0.05 0.09 0.13 -0.04 3.68 3.81 2nz1X1 PRO 187 HD3 -0.01 0.07 -0.04 -0.04 3.65 3.63 2nz1X1 TYR 188 H 0.37 0.50 0.41 -0.55 8.29 9.01 2nz1X1 TYR 188 HA -0.08 0.19 0.72 -0.75 4.56 4.64 2nz1X1 TYR 188 HB2 0.32 -0.04 0.04 -0.04 3.06 3.34 2nz1X1 TYR 188 HB3 -0.10 -0.05 -0.05 -0.04 2.98 2.74 2nz1X1 TYR 188 HD2 -0.33 0.02 -0.03 -0.04 7.15 6.76 2nz1X1 TYR 188 HE2 -0.08 0.07 -0.10 -0.04 6.85 6.70 2nz1X1 SER 189 H 0.22 0.36 0.19 -0.55 8.46 8.68 2nz1X1 SER 189 HA 0.13 0.21 0.63 -0.75 4.49 4.71 2nz1X1 SER 189 HB2 0.16 -0.01 0.21 -0.04 3.95 4.26 2nz1X1 SER 189 HB3 0.21 0.15 -0.20 -0.04 3.93 4.05 2nz1X1 SER 190 H 0.10 0.16 0.17 -0.55 8.46 8.35 2nz1X1 SER 190 HA 0.05 0.19 0.41 -0.75 4.49 4.39 2nz1X1 SER 190 HB2 0.05 0.01 0.07 -0.04 3.95 4.04 2nz1X1 SER 190 HB3 0.05 0.04 0.14 -0.04 3.93 4.12 2nz1X1 THR 191 H 0.14 -0.01 -0.30 -0.55 8.28 7.56 2nz1X1 THR 191 HA 0.09 0.32 1.07 -0.75 4.39 5.11 2nz1X1 THR 191 HB 0.13 0.03 0.21 -0.04 4.32 4.65 2nz1X1 THR 191 HG23 0.08 -0.02 -0.11 -0.04 1.22 1.13 2nz1X1 PHE 192 H 0.21 0.30 -0.23 -0.55 8.34 8.07 2nz1X1 PHE 192 HA 0.05 0.22 0.88 -0.75 4.62 5.02 2nz1X1 PHE 192 HB2 0.11 0.03 -0.18 -0.04 3.15 3.07 2nz1X1 PHE 192 HB3 0.13 -0.10 0.04 -0.04 3.06 3.09 2nz1X1 PHE 192 HD2 0.09 -0.02 -0.13 -0.04 7.28 7.18 2nz1X1 PHE 192 HE2 -0.41 0.03 -0.18 -0.04 7.38 6.79 2nz1X1 PHE 192 HZ 0.04 0.03 -0.19 -0.04 7.32 7.16 2nz1X1 THR 193 H -0.45 0.22 0.13 -0.55 8.28 7.63 2nz1X1 THR 193 HA -0.01 0.22 1.09 -0.75 4.39 4.93 2nz1X1 THR 193 HB -0.14 0.28 0.19 -0.04 4.32 4.61 2nz1X1 THR 193 HG23 -0.03 -0.02 -0.39 -0.04 1.22 0.74 2nz1X1 TRP 194 H 0.29 0.83 0.32 -0.55 7.97 8.86 2nz1X1 TRP 194 HA -0.22 0.13 0.91 -0.75 4.62 4.69 2nz1X1 TRP 194 HB2 0.23 -0.06 -0.03 -0.04 3.23 3.32 2nz1X1 TRP 194 HB3 0.35 0.07 0.14 -0.04 3.23 3.75 2nz1X1 TRP 194 HD1 0.12 -0.05 -0.11 -0.04 7.22 7.14 2nz1X1 TRP 194 HE1 -0.00 0.00 -0.15 -0.04 10.20 10.01 2nz1X1 TRP 194 HE3 0.15 -0.02 -0.25 -0.04 7.59 7.43 2nz1X1 TRP 194 HZ2 -0.07 0.07 -0.14 -0.04 7.44 7.26 2nz1X1 TRP 194 HZ3 -0.16 -0.04 -0.17 -0.04 7.13 6.71 2nz1X1 TRP 194 HH2 -0.25 -0.09 -0.34 -0.04 7.19 6.47 2nz1X1 CYS 195 H -0.62 0.80 0.35 -0.55 8.50 8.48 2nz1X1 CYS 195 HA -0.16 0.32 1.16 -0.75 4.58 5.15 2nz1X1 CYS 195 HB2 -0.31 0.01 0.08 -0.04 2.97 2.71 2nz1X1 CYS 195 HB3 -0.20 -0.02 -0.20 -0.04 2.97 2.51 2nz1X1 GLY 196 H -0.17 0.60 0.26 -0.55 8.43 8.57 2nz1X1 GLY 196 HA2 -0.71 0.25 0.87 -0.51 4.01 3.92 2nz1X1 GLY 196 HA3 -0.17 -0.01 0.32 -0.51 4.01 3.64 2nz1X1 GLU 197 H -0.24 0.68 0.30 -0.55 8.60 8.80 2nz1X1 GLU 197 HA -0.08 0.31 1.16 -0.75 4.29 4.93 2nz1X1 GLU 197 HB2 -0.13 -0.05 -0.24 -0.04 2.09 1.64 2nz1X1 GLU 197 HB3 -0.14 -0.03 -0.07 -0.04 1.99 1.71 2nz1X1 GLU 197 HG2 -0.06 -0.00 -0.55 -0.04 2.34 1.68 2nz1X1 GLU 197 HG3 -0.04 0.01 -0.25 -0.04 2.34 2.02 2nz1X1 LEU 198 H -0.03 0.62 0.30 -0.55 8.37 8.71 2nz1X1 LEU 198 HA -0.06 0.22 0.92 -0.75 4.35 4.67 2nz1X1 LEU 198 HB2 -0.02 -0.06 0.17 -0.04 1.64 1.68 2nz1X1 LEU 198 HB3 -0.06 0.02 -0.10 -0.04 1.64 1.45 2nz1X1 LEU 198 HG -0.03 -0.01 -0.24 -0.04 1.64 1.32 2nz1X1 LEU 198 HD13 -0.01 -0.00 -0.16 -0.04 0.93 0.72 2nz1X1 LEU 198 HD23 -0.03 0.01 -0.21 -0.04 0.89 0.61 2nz1X1 GLY 199 H -0.08 0.92 0.39 -0.55 8.43 9.11 2nz1X1 GLY 199 HA2 -0.09 0.14 0.90 -0.51 4.01 4.44 2nz1X1 GLY 199 HA3 -0.08 0.07 0.27 -0.51 4.01 3.75 2nz1X1 ALA 200 H -0.21 0.62 0.27 -0.55 8.40 8.53 2nz1X1 ALA 200 HA -0.54 0.22 0.62 -0.75 4.34 3.89 2nz1X1 ALA 200 HB3 -0.93 -0.05 0.07 -0.04 1.41 0.46 2nz1X1 ILE 201 H -0.32 0.76 0.24 -0.55 8.25 8.38 2nz1X1 ILE 201 HA -0.03 0.10 0.82 -0.75 4.18 4.32 2nz1X1 ILE 201 HB -0.01 -0.07 -0.03 -0.04 1.89 1.73 2nz1X1 ILE 201 HG12 -0.05 -0.01 -0.39 -0.04 1.49 1.01 2nz1X1 ILE 201 HG13 -0.12 0.14 -0.52 -0.04 1.21 0.68 2nz1X1 ILE 201 HG23 -0.05 0.01 -0.22 -0.04 0.93 0.64 2nz1X1 ILE 201 HD13 -0.02 -0.01 -0.57 -0.04 0.88 0.25 2nz1X1 SER 202 H 0.08 0.11 0.09 -0.55 8.46 8.20 2nz1X1 SER 202 HA 0.32 -0.00 0.38 -0.75 4.49 4.43 2nz1X1 SER 202 HB2 0.07 0.03 0.09 -0.04 3.95 4.10 2nz1X1 SER 202 HB3 0.09 -0.07 0.07 -0.04 3.93 3.98 2nz1X1 GLU 203 H 0.23 0.09 0.22 -0.55 8.60 8.59 2nz1X1 GLU 203 HA 0.16 0.26 0.52 -0.75 4.29 4.48 2nz1X1 GLU 203 HB2 0.08 -0.05 0.07 -0.04 2.09 2.15 2nz1X1 GLU 203 HB3 0.11 0.12 0.10 -0.04 1.99 2.28 2nz1X1 GLU 203 HG2 0.21 0.00 0.00 -0.04 2.34 2.51 2nz1X1 GLU 203 HG3 0.16 -0.11 0.18 -0.04 2.34 2.52 2nz1X1 GLU 204 H 0.07 -0.07 -0.16 -0.55 8.60 7.89 2nz1X1 GLU 204 HA 0.04 0.08 0.41 -0.75 4.29 4.07 2nz1X1 GLU 204 HB2 0.03 0.03 0.02 -0.04 2.09 2.12 2nz1X1 GLU 204 HB3 0.03 -0.04 0.08 -0.04 1.99 2.02 2nz1X1 GLU 204 HG2 0.06 -0.19 -0.04 -0.04 2.34 2.13 2nz1X1 GLU 204 HG3 0.04 0.06 -0.13 -0.04 2.34 2.27 2nz1X1 SER 205 H 0.05 0.16 -0.51 -0.55 8.46 7.62 2nz1X1 SER 205 HA 0.03 -0.01 0.45 -0.75 4.49 4.19 2nz1X1 SER 205 HB2 0.02 0.14 -0.18 -0.04 3.95 3.89 2nz1X1 SER 205 HB3 0.02 0.00 0.03 -0.04 3.93 3.94 2nz1X1 ALA 206 H 0.02 0.07 0.15 -0.55 8.40 8.08 2nz1X1 ALA 206 HA 0.01 0.23 0.87 -0.75 4.34 4.70 2nz1X1 ALA 206 HB3 0.01 -0.01 0.09 -0.04 1.41 1.46 2nz1X1 PRO 207 HA -0.02 0.14 0.47 -0.51 4.44 4.52 2nz1X1 PRO 207 HB2 0.00 -0.03 0.13 -0.04 2.28 2.34 2nz1X1 PRO 207 HB3 -0.01 0.04 0.13 -0.04 2.02 2.14 2nz1X1 PRO 207 HG2 0.01 -0.01 0.14 -0.04 2.03 2.13 2nz1X1 PRO 207 HG3 -0.00 0.07 0.19 -0.04 2.03 2.25 2nz1X1 PRO 207 HD2 0.01 0.04 0.23 -0.04 3.68 3.92 2nz1X1 PRO 207 HD3 0.01 0.20 0.28 -0.04 3.65 4.10 2nz1X1 GLN 208 H -0.02 0.74 0.27 -0.55 8.47 8.91 2nz1X1 GLN 208 HA -0.01 0.21 0.94 -0.75 4.36 4.75 2nz1X1 GLN 208 HB2 -0.02 -0.08 0.22 -0.04 2.15 2.24 2nz1X1 GLN 208 HB3 -0.01 -0.05 0.09 -0.04 2.02 2.01 2nz1X1 GLN 208 HG2 0.00 0.02 0.02 -0.04 2.40 2.40 2nz1X1 GLN 208 HG3 -0.00 0.23 -0.13 -0.04 2.39 2.45 2nz1X1 GLN 208 HE21 0.01 -0.08 -0.02 -0.04 6.97 6.84 2nz1X1 GLN 208 HE22 0.01 0.09 -0.05 -0.04 7.69 7.70 2nz1X1 PRO 209 HA -0.01 -0.00 0.64 -0.51 4.44 4.55 2nz1X1 PRO 209 HB2 0.00 0.14 0.06 -0.04 2.28 2.45 2nz1X1 PRO 209 HB3 0.00 -0.02 0.08 -0.04 2.02 2.04 2nz1X1 PRO 209 HG2 0.00 0.03 0.06 -0.04 2.03 2.07 2nz1X1 PRO 209 HG3 0.01 0.01 0.05 -0.04 2.03 2.05 2nz1X1 PRO 209 HD2 -0.00 0.13 0.20 -0.04 3.68 3.97 2nz1X1 PRO 209 HD3 -0.00 0.12 -0.25 -0.04 3.65 3.49 2nz1X1 SER 210 H -0.01 0.09 0.20 -0.55 8.46 8.19 2nz1X1 SER 210 HA -0.03 0.07 0.54 -0.75 4.49 4.31 2nz1X1 SER 210 HB2 -0.03 -0.06 -0.05 -0.04 3.95 3.77 2nz1X1 SER 210 HB3 -0.03 0.20 0.24 -0.04 3.93 4.30 2nz1X1 LEU 211 H -0.04 0.13 0.08 -0.55 8.37 8.00 2nz1X1 LEU 211 HA -0.01 0.10 0.54 -0.75 4.35 4.23 2nz1X1 LEU 211 HB2 -0.02 -0.04 0.20 -0.04 1.64 1.74 2nz1X1 LEU 211 HB3 -0.05 0.39 0.42 -0.04 1.64 2.36 2nz1X1 LEU 211 HG -0.06 -0.13 0.15 -0.04 1.64 1.56 2nz1X1 LEU 211 HD13 0.07 0.01 0.00 -0.04 0.93 0.97 2nz1X1 LEU 211 HD23 0.05 0.02 0.14 -0.04 0.89 1.06 2nz1X1 SER 212 H -0.00 0.57 0.20 -0.55 8.46 8.68 2nz1X1 SER 212 HA -0.10 0.26 0.97 -0.75 4.49 4.87 2nz1X1 SER 212 HB2 0.02 -0.01 0.02 -0.04 3.95 3.94 2nz1X1 SER 212 HB3 0.03 0.04 -0.07 -0.04 3.93 3.89 2nz1X1 ALA 213 H 0.00 0.65 0.38 -0.55 8.40 8.89 2nz1X1 ALA 213 HA 0.06 0.17 0.91 -0.75 4.34 4.72 2nz1X1 ALA 213 HB3 0.17 0.00 -0.02 -0.04 1.41 1.52 2nz1X1 ARG 214 H 0.04 0.25 0.16 -0.55 8.46 8.36 2nz1X1 ARG 214 HA 0.02 0.19 0.95 -0.75 4.34 4.75 2nz1X1 ARG 214 HB2 0.03 0.03 -0.08 -0.04 1.90 1.84 2nz1X1 ARG 214 HB3 0.02 -0.03 0.14 -0.04 1.80 1.89 2nz1X1 ARG 214 HG2 -0.03 -0.03 -0.22 -0.04 1.67 1.35 2nz1X1 ARG 214 HG3 -0.00 0.04 -0.05 -0.04 1.67 1.62 2nz1X1 ARG 214 HD2 0.05 0.01 -0.06 -0.04 3.22 3.17 2nz1X1 ARG 214 HD3 0.03 -0.01 -0.04 -0.04 3.22 3.16 2nz1X1 SER 215 H -0.03 0.89 0.30 -0.55 8.46 9.08 2nz1X1 SER 215 HA -0.05 0.24 1.03 -0.75 4.49 4.96 2nz1X1 SER 215 HB2 -0.03 0.02 -0.12 -0.04 3.95 3.78 2nz1X1 SER 215 HB3 -0.05 -0.02 0.03 -0.04 3.93 3.85 2nz1X1 PRO 216 HA -0.26 0.19 0.73 -0.51 4.44 4.59 2nz1X1 PRO 216 HB2 -0.18 0.11 -0.20 -0.04 2.28 1.96 2nz1X1 PRO 216 HB3 -0.22 -0.08 -0.10 -0.04 2.02 1.59 2nz1X1 PRO 216 HG2 -0.09 0.06 0.01 -0.04 2.03 1.97 2nz1X1 PRO 216 HG3 -0.09 -0.05 -0.20 -0.04 2.03 1.65 2nz1X1 PRO 216 HD2 -0.06 0.13 0.15 -0.04 3.68 3.87 2nz1X1 PRO 216 HD3 -0.07 0.14 -0.03 -0.04 3.65 3.65 2nz1X1 VAL 217 H -0.26 0.28 0.16 -0.55 8.24 7.87 2nz1X1 VAL 217 HA -0.08 -0.02 0.25 -0.75 4.13 3.53 2nz1X1 VAL 217 HB -0.26 0.04 -0.00 -0.04 2.12 1.86 2nz1X1 VAL 217 HG13 0.03 0.01 -0.04 -0.04 0.97 0.93 2nz1X1 VAL 217 HG23 -0.28 -0.00 0.02 -0.04 0.95 0.65 2nz1X1 CYS 218 H -0.08 0.22 -0.33 -0.55 8.50 7.76 2nz1X1 CYS 218 HA 0.08 0.20 0.95 -0.75 4.58 5.05 2nz1X1 CYS 218 HB2 0.12 0.07 0.04 -0.04 2.97 3.16 2nz1X1 CYS 218 HB3 0.00 -0.04 -0.04 -0.04 2.97 2.85 2nz1X1 LYS 219 H 0.04 0.22 -0.08 -0.55 8.42 8.05 2nz1X1 LYS 219 HA -0.08 0.14 0.65 -0.75 4.32 4.28 2nz1X1 LYS 219 HB2 -0.05 -0.01 0.08 -0.04 1.87 1.86 2nz1X1 LYS 219 HB3 -0.10 -0.08 0.04 -0.04 1.79 1.62 2nz1X1 LYS 219 HG2 -0.13 -0.05 0.01 -0.04 1.46 1.25 2nz1X1 LYS 219 HG3 -0.07 0.24 -0.01 -0.04 1.46 1.58 2nz1X1 LYS 219 HD2 -0.06 0.00 0.01 -0.04 1.69 1.59 2nz1X1 LYS 219 HD3 -0.06 -0.05 0.01 -0.04 1.68 1.55 2nz1X1 LYS 219 HE2 -0.11 -0.10 0.05 -0.04 2.99 2.79 2nz1X1 LYS 219 HE3 -0.19 0.33 0.15 -0.04 2.99 3.24 2nz1X1 ASN 220 H -0.09 0.13 0.14 -0.55 8.53 8.15 2nz1X1 ASN 220 HA -0.09 -0.03 0.36 -0.75 4.76 4.24 2nz1X1 ASN 220 HB2 -0.11 0.01 -0.16 -0.04 2.88 2.58 2nz1X1 ASN 220 HB3 -0.16 0.21 0.27 -0.04 2.79 3.07 2nz1X1 ASN 220 HD21 -0.07 -0.00 0.01 -0.04 7.03 6.92 2nz1X1 ASN 220 HD22 -0.08 0.04 0.00 -0.04 7.74 7.66 2nz1X1 SER 221 H -0.13 0.15 -0.01 -0.55 8.46 7.93 2nz1X1 SER 221 HA -0.15 0.17 0.17 -0.75 4.49 3.92 2nz1X1 SER 221 HB2 -1.56 0.10 0.04 -0.04 3.95 2.48 2nz1X1 SER 221 HB3 -0.35 0.13 0.08 -0.04 3.93 3.74 2nz1X1 ALA 222 H -0.12 0.01 -0.46 -0.55 8.40 7.28 2nz1X1 ALA 222 HA -0.06 0.13 0.40 -0.75 4.34 4.06 2nz1X1 ALA 222 HB3 -0.04 0.01 0.01 -0.04 1.41 1.34 2nz1X1 ARG 223 H -0.18 0.46 -0.22 -0.55 8.46 7.97 2nz1X1 ARG 223 HA -0.01 -0.04 0.35 -0.75 4.34 3.88 2nz1X1 ARG 223 HB2 -0.29 -0.08 0.14 -0.04 1.90 1.62 2nz1X1 ARG 223 HB3 -0.63 0.33 0.11 -0.04 1.80 1.57 2nz1X1 ARG 223 HG2 -0.53 -0.03 -0.21 -0.04 1.67 0.86 2nz1X1 ARG 223 HG3 -0.46 -0.10 0.03 -0.04 1.67 1.10 2nz1X1 ARG 223 HD2 -0.42 0.01 0.01 -0.04 3.22 2.77 2nz1X1 ARG 223 HD3 -0.93 0.10 -0.06 -0.04 3.22 2.29 2nz1X1 TYR 224 H -0.15 0.33 -0.75 -0.55 8.29 7.17 2nz1X1 TYR 224 HA -0.21 0.12 0.67 -0.75 4.56 4.38 2nz1X1 TYR 224 HB2 -0.13 0.22 -0.01 -0.04 3.06 3.10 2nz1X1 TYR 224 HB3 -0.15 -0.03 -0.02 -0.04 2.98 2.74 2nz1X1 TYR 224 HD2 -1.07 -0.01 -0.13 -0.04 7.15 5.90 2nz1X1 TYR 224 HE2 -0.20 0.00 -0.15 -0.04 6.85 6.46 2nz1X1 SER 225 H 0.03 0.62 -0.25 -0.55 8.46 8.31 2nz1X1 SER 225 HA 0.12 0.23 0.30 -0.75 4.49 4.39 2nz1X1 SER 225 HB2 0.05 -0.05 0.14 -0.04 3.95 4.05 2nz1X1 SER 225 HB3 0.04 -0.02 0.14 -0.04 3.93 4.05 2nz1X1 THR 226 H 0.10 0.29 -0.34 -0.55 8.28 7.77 2nz1X1 THR 226 HA 0.06 0.13 0.69 -0.75 4.39 4.52 2nz1X1 THR 226 HB -0.01 -0.12 0.17 -0.04 4.32 4.32 2nz1X1 THR 226 HG23 0.01 0.02 -0.22 -0.04 1.22 0.99 2nz1X1 SER 227 H 0.02 0.18 0.13 -0.55 8.46 8.25 2nz1X1 SER 227 HA 0.09 0.22 0.64 -0.75 4.49 4.69 2nz1X1 SER 227 HB2 -0.08 -0.05 0.16 -0.04 3.95 3.94 2nz1X1 SER 227 HB3 -0.04 0.18 0.04 -0.04 3.93 4.07 2nz1X1 LYS 228 H -0.06 0.08 -0.33 -0.55 8.42 7.56 2nz1X1 LYS 228 HA -0.17 0.04 0.33 -0.75 4.32 3.77 2nz1X1 LYS 228 HB2 -0.25 -0.00 0.08 -0.04 1.87 1.65 2nz1X1 LYS 228 HB3 -0.48 0.08 0.02 -0.04 1.79 1.37 2nz1X1 LYS 228 HG2 -1.23 0.02 -0.28 -0.04 1.46 -0.07 2nz1X1 LYS 228 HG3 -0.38 -0.02 0.04 -0.04 1.46 1.05 2nz1X1 LYS 228 HD2 -0.28 -0.01 -0.01 -0.04 1.69 1.35 2nz1X1 LYS 228 HD3 -0.65 0.04 -0.04 -0.04 1.68 0.99 2nz1X1 LYS 228 HE2 -0.39 0.01 -0.04 -0.04 2.99 2.53 2nz1X1 LYS 228 HE3 -0.22 -0.02 -0.01 -0.04 2.99 2.70 2nz1X1 PHE 229 H 0.09 0.25 -0.31 -0.55 8.34 7.81 2nz1X1 PHE 229 HA 0.02 0.14 0.87 -0.75 4.62 4.90 2nz1X1 PHE 229 HB2 0.12 0.15 0.02 -0.04 3.15 3.39 2nz1X1 PHE 229 HB3 0.06 -0.03 0.12 -0.04 3.06 3.16 2nz1X1 PHE 229 HD2 -0.04 0.13 0.03 -0.04 7.28 7.35 2nz1X1 PHE 229 HE2 -0.05 0.00 -0.02 -0.04 7.38 7.28 2nz1X1 PHE 229 HZ -0.04 -0.01 -0.03 -0.04 7.32 7.20 2nz1X1 CYS 230 H -0.01 0.70 -0.21 -0.55 8.50 8.43 2nz1X1 CYS 230 HA -0.39 0.06 0.37 -0.75 4.58 3.88 2nz1X1 CYS 230 HB2 -0.14 0.11 0.22 -0.04 2.97 3.12 2nz1X1 CYS 230 HB3 -0.22 0.09 0.06 -0.04 2.97 2.85 2nz1X1 GLU 231 H -0.02 0.20 -0.15 -0.55 8.60 8.08 2nz1X1 GLU 231 HA -0.02 0.04 0.38 -0.75 4.29 3.94 2nz1X1 GLU 231 HB2 -0.02 0.02 0.09 -0.04 2.09 2.14 2nz1X1 GLU 231 HB3 0.01 0.04 0.01 -0.04 1.99 2.01 2nz1X1 GLU 231 HG2 -0.01 0.02 -0.01 -0.04 2.34 2.30 2nz1X1 GLU 231 HG3 -0.00 0.03 -0.02 -0.04 2.34 2.30 2nz1X1 VAL 232 H 0.08 0.09 -0.20 -0.55 8.24 7.66 2nz1X1 VAL 232 HA 0.05 0.06 0.40 -0.75 4.13 3.88 2nz1X1 VAL 232 HB 0.22 0.05 0.11 -0.04 2.12 2.46 2nz1X1 VAL 232 HG13 0.05 0.01 -0.10 -0.04 0.97 0.89 2nz1X1 VAL 232 HG23 0.12 -0.01 0.05 -0.04 0.95 1.07 2nz1X1 ASP 233 H 0.12 0.57 -0.22 -0.55 8.40 8.32 2nz1X1 ASP 233 HA 0.08 0.12 0.58 -0.75 4.63 4.65 2nz1X1 ASP 233 HB2 0.23 0.03 0.00 -0.04 2.71 2.93 2nz1X1 ASP 233 HB3 0.22 -0.04 0.02 -0.04 2.70 2.86 2nz1X1 GLY 234 H 0.03 0.27 -0.59 -0.55 8.43 7.60 2nz1X1 GLY 234 HA2 0.01 -0.02 0.29 -0.51 4.01 3.79 2nz1X1 GLY 234 HA3 0.03 0.08 0.46 -0.51 4.01 4.07 2nz1X1 CYS 235 H -0.03 0.74 -0.05 -0.55 8.50 8.61 2nz1X1 CYS 235 HA 0.01 0.08 0.81 -0.75 4.58 4.72 2nz1X1 CYS 235 HB2 -0.26 0.00 0.14 -0.04 2.97 2.81 2nz1X1 CYS 235 HB3 -0.12 -0.00 0.05 -0.04 2.97 2.85 2nz1X1 THR 236 H -0.01 0.18 -0.04 -0.55 8.28 7.85 2nz1X1 THR 236 HA -0.06 0.30 0.83 -0.75 4.39 4.71 2nz1X1 THR 236 HB -0.03 -0.04 0.13 -0.04 4.32 4.34 2nz1X1 THR 236 HG23 -0.04 0.05 -0.34 -0.04 1.22 0.84 2nz1X1 ALA 237 H -0.02 0.21 0.15 -0.55 8.40 8.20 2nz1X1 ALA 237 HA 0.00 0.17 0.44 -0.75 4.34 4.20 2nz1X1 ALA 237 HB3 -0.00 0.03 0.10 -0.04 1.41 1.50 2nz1X1 GLU 238 H -0.01 0.02 -0.12 -0.55 8.60 7.94 2nz1X1 GLU 238 HA -0.01 0.13 0.38 -0.75 4.29 4.05 2nz1X1 GLU 238 HB2 -0.00 0.08 -0.06 -0.04 2.09 2.06 2nz1X1 GLU 238 HB3 -0.01 0.06 0.06 -0.04 1.99 2.06 2nz1X1 GLU 238 HG2 -0.01 -0.14 0.04 -0.04 2.34 2.19 2nz1X1 GLU 238 HG3 -0.01 0.08 0.02 -0.04 2.34 2.39 2nz1X1 THR 239 H -0.00 -0.01 -0.22 -0.55 8.28 7.50 2nz1X1 THR 239 HA 0.00 0.15 0.53 -0.75 4.39 4.32 2nz1X1 THR 239 HB 0.01 0.17 0.22 -0.04 4.32 4.68 2nz1X1 THR 239 HG23 0.00 -0.00 0.03 -0.04 1.22 1.21 2nz1X1 GLY 240 H -0.00 0.11 -0.89 -0.55 8.43 7.10 2nz1X1 GLY 240 HA2 -0.02 0.07 0.27 -0.51 4.01 3.82 2nz1X1 GLY 240 HA3 -0.02 0.06 0.37 -0.51 4.01 3.91 2nz1X1 MET 241 H 0.02 0.41 -0.08 -0.55 8.47 8.26 2nz1X1 MET 241 HA 0.05 -0.10 0.21 -0.75 4.52 3.93 2nz1X1 MET 241 HB2 0.04 0.21 -0.12 -0.04 2.15 2.24 2nz1X1 MET 241 HB3 0.17 -0.06 0.08 -0.04 2.03 2.18 2nz1X1 MET 241 HG2 0.10 -0.04 -0.34 -0.04 2.63 2.31 2nz1X1 MET 241 HG3 0.40 0.05 -0.18 -0.04 2.56 2.79 2nz1X1 MET 241 HE3 0.07 0.00 -0.11 -0.04 2.10 2.03 2nz1X1 GLU 242 H 0.03 0.14 -0.23 -0.55 8.60 7.99 2nz1X1 GLU 242 HA 0.04 0.09 0.94 -0.75 4.29 4.61 2nz1X1 GLU 242 HB2 0.01 0.27 0.01 -0.04 2.09 2.34 2nz1X1 GLU 242 HB3 0.02 -0.09 -0.05 -0.04 1.99 1.83 2nz1X1 GLU 242 HG2 0.02 -0.05 -0.02 -0.04 2.34 2.25 2nz1X1 GLU 242 HG3 0.01 0.17 -0.24 -0.04 2.34 2.24 2nz1X1 LYS 243 H 0.05 0.11 0.03 -0.55 8.42 8.05 2nz1X1 LYS 243 HA 0.03 0.19 0.84 -0.75 4.32 4.63 2nz1X1 LYS 243 HB2 0.07 0.22 -0.02 -0.04 1.87 2.09 2nz1X1 LYS 243 HB3 0.08 -0.27 0.20 -0.04 1.79 1.76 2nz1X1 LYS 243 HG2 0.07 0.07 0.05 -0.04 1.46 1.62 2nz1X1 LYS 243 HG3 0.05 -0.06 -0.08 -0.04 1.46 1.33 2nz1X1 LYS 243 HD2 0.03 0.00 0.06 -0.04 1.69 1.73 2nz1X1 LYS 243 HD3 0.04 0.08 0.10 -0.04 1.68 1.85 2nz1X1 LYS 243 HE2 0.02 -0.02 -0.04 -0.04 2.99 2.91 2nz1X1 LYS 243 HE3 0.02 -0.05 0.01 -0.04 2.99 2.93 2nz1X1 MET 244 H 0.02 0.15 0.01 -0.55 8.47 8.10 2nz1X1 MET 244 HA 0.01 0.35 0.80 -0.75 4.52 4.92 2nz1X1 MET 244 HB2 0.00 -0.02 0.00 -0.04 2.15 2.09 2nz1X1 MET 244 HB3 -0.01 0.00 -0.07 -0.04 2.03 1.91 2nz1X1 MET 244 HG2 0.01 -0.01 -0.12 -0.04 2.63 2.47 2nz1X1 MET 244 HG3 0.00 -0.01 -0.11 -0.04 2.56 2.40 2nz1X1 MET 244 HE3 -0.00 -0.00 -0.37 -0.04 2.10 1.69 2nz1X1 SER 245 H -0.02 0.58 0.39 -0.55 8.46 8.87 2nz1X1 SER 245 HA -0.01 0.10 0.77 -0.75 4.49 4.59 2nz1X1 SER 245 HB2 -0.02 0.02 0.06 -0.04 3.95 3.97 2nz1X1 SER 245 HB3 -0.00 0.04 -0.07 -0.04 3.93 3.85 2nz1X1 LEU 246 H -0.03 0.13 0.14 -0.55 8.37 8.07 2nz1X1 LEU 246 HA -0.07 0.07 0.69 -0.75 4.35 4.30 2nz1X1 LEU 246 HB2 -0.02 -0.06 0.11 -0.04 1.64 1.64 2nz1X1 LEU 246 HB3 -0.02 0.02 0.07 -0.04 1.64 1.66 2nz1X1 LEU 246 HG -0.02 0.18 -0.04 -0.04 1.64 1.72 2nz1X1 LEU 246 HD13 -0.02 0.00 -0.01 -0.04 0.93 0.86 2nz1X1 LEU 246 HD23 0.02 -0.02 -0.02 -0.04 0.89 0.83 2nz1X1 LEU 247 H -0.17 0.59 0.45 -0.55 8.37 8.70 2nz1X1 LEU 247 HA -0.24 0.14 0.74 -0.75 4.35 4.24 2nz1X1 LEU 247 HB2 -0.66 0.01 -0.05 -0.04 1.64 0.90 2nz1X1 LEU 247 HB3 -1.41 -0.01 -0.08 -0.04 1.64 0.10 2nz1X1 LEU 247 HG -0.22 -0.05 -0.15 -0.04 1.64 1.17 2nz1X1 LEU 247 HD13 -0.27 -0.01 -0.26 -0.04 0.93 0.34 2nz1X1 LEU 247 HD23 -0.21 0.01 -0.12 -0.04 0.89 0.54 2nz1X1 THR 248 H -0.14 0.11 0.23 -0.55 8.28 7.93 2nz1X1 THR 248 HA 0.14 0.13 0.53 -0.75 4.39 4.43 2nz1X1 THR 248 HB 0.00 -0.07 0.20 -0.04 4.32 4.42 2nz1X1 THR 248 HG23 0.05 0.14 0.00 -0.04 1.22 1.37 2nz1X1 PRO 249 HA 0.07 0.07 0.48 -0.51 4.44 4.55 2nz1X1 PRO 249 HB2 0.08 -0.08 0.03 -0.04 2.28 2.27 2nz1X1 PRO 249 HB3 0.07 0.07 0.09 -0.04 2.02 2.21 2nz1X1 PRO 249 HG2 0.06 -0.03 -0.01 -0.04 2.03 2.01 2nz1X1 PRO 249 HG3 0.07 0.07 0.05 -0.04 2.03 2.18 2nz1X1 PRO 249 HD2 0.14 0.07 0.27 -0.04 3.68 4.11 2nz1X1 PRO 249 HD3 0.14 0.28 0.24 -0.04 3.65 4.27 2nz1X1 PHE 250 H 0.21 0.09 0.13 -0.55 8.34 8.21 2nz1X1 PHE 250 HA 0.00 0.08 0.34 -0.75 4.62 4.29 2nz1X1 PHE 250 HB2 0.00 0.00 0.15 -0.04 3.15 3.26 2nz1X1 PHE 250 HB3 0.00 -0.08 0.16 -0.04 3.06 3.10 2nz1X1 PHE 250 HD2 0.00 -0.01 -0.00 -0.04 7.28 7.23 2nz1X1 PHE 250 HE2 0.00 -0.01 -0.03 -0.04 7.38 7.30 2nz1X1 PHE 250 HZ 0.00 -0.02 -0.03 -0.04 7.32 7.23 2nz1X1 GLY 251 H 0.09 0.03 -0.10 -0.55 8.43 7.91 2nz1X1 GLY 251 HA2 -0.38 0.15 0.59 -0.51 4.01 3.86 2nz1X1 GLY 251 HA3 -0.10 -0.07 0.35 -0.51 4.01 3.67 2nz1X1 GLY 252 H -0.05 0.50 -0.61 -0.55 8.43 7.73 2nz1X1 GLY 252 HA2 -0.02 -0.00 0.40 -0.51 4.01 3.88 2nz1X1 GLY 252 HA3 0.01 0.04 0.32 -0.51 4.01 3.87 2nz1X1 PRO 253 HA -0.03 0.08 0.49 -0.51 4.44 4.48 2nz1X1 PRO 253 HB2 0.00 -0.03 0.05 -0.04 2.28 2.26 2nz1X1 PRO 253 HB3 -0.01 -0.01 0.12 -0.04 2.02 2.08 2nz1X1 PRO 253 HG2 -0.01 0.09 0.07 -0.04 2.03 2.14 2nz1X1 PRO 253 HG3 -0.02 0.01 0.09 -0.04 2.03 2.07 2nz1X1 PRO 253 HD2 0.02 0.10 0.20 -0.04 3.68 3.95 2nz1X1 PRO 253 HD3 -0.01 0.09 0.24 -0.04 3.65 3.93 2nz1X1 PRO 254 HA -0.02 0.10 0.36 -0.51 4.44 4.36 2nz1X1 PRO 254 HB2 -0.00 -0.04 0.06 -0.04 2.28 2.26 2nz1X1 PRO 254 HB3 -0.01 0.00 0.13 -0.04 2.02 2.10 2nz1X1 PRO 254 HG2 0.00 0.02 -0.01 -0.04 2.03 2.01 2nz1X1 PRO 254 HG3 0.00 0.02 0.07 -0.04 2.03 2.08 2nz1X1 PRO 254 HD2 -0.01 0.08 0.22 -0.04 3.68 3.93 2nz1X1 PRO 254 HD3 -0.02 0.13 0.19 -0.04 3.65 3.91 2nz1X1 GLN 255 H -0.00 0.07 -0.54 -0.55 8.47 7.46 2nz1X1 GLN 255 HA -0.02 0.19 0.96 -0.75 4.36 4.74 2nz1X1 GLN 255 HB2 0.00 0.01 -0.05 -0.04 2.15 2.07 2nz1X1 GLN 255 HB3 -0.02 -0.03 -0.13 -0.04 2.02 1.80 2nz1X1 GLN 255 HG2 -0.04 -0.05 -0.20 -0.04 2.40 2.07 2nz1X1 GLN 255 HG3 -0.05 -0.01 -0.26 -0.04 2.39 2.03 2nz1X1 GLN 255 HE21 0.02 -0.01 -0.24 -0.04 6.97 6.70 2nz1X1 GLN 255 HE22 0.00 0.40 -0.10 -0.04 7.69 7.95 2nz1X1 GLN 256 H -0.02 0.50 0.30 -0.55 8.47 8.70 2nz1X1 GLN 256 HA 0.00 0.21 0.98 -0.75 4.36 4.81 2nz1X1 GLN 256 HB2 -0.01 0.10 -0.08 -0.04 2.15 2.12 2nz1X1 GLN 256 HB3 -0.02 -0.12 0.14 -0.04 2.02 1.98 2nz1X1 GLN 256 HG2 -0.02 -0.06 -0.28 -0.04 2.40 2.00 2nz1X1 GLN 256 HG3 -0.01 0.07 0.00 -0.04 2.39 2.41 2nz1X1 GLN 256 HE21 0.01 -0.04 -0.05 -0.04 6.97 6.84 2nz1X1 GLN 256 HE22 0.00 0.11 -0.06 -0.04 7.69 7.70 2nz1X1 ALA 257 H -0.01 0.18 0.23 -0.55 8.40 8.24 2nz1X1 ALA 257 HA -0.03 0.36 1.21 -0.75 4.34 5.12 2nz1X1 ALA 257 HB3 0.00 0.00 -0.00 -0.04 1.41 1.37 2nz1X1 LYS 258 H -0.05 0.64 0.43 -0.55 8.42 8.89 2nz1X1 LYS 258 HA -0.10 0.14 1.05 -0.75 4.32 4.65 2nz1X1 LYS 258 HB2 -0.03 -0.07 -0.00 -0.04 1.87 1.72 2nz1X1 LYS 258 HB3 -0.03 0.07 -0.02 -0.04 1.79 1.76 2nz1X1 LYS 258 HG2 -0.05 0.03 -0.20 -0.04 1.46 1.21 2nz1X1 LYS 258 HG3 -0.04 -0.05 -0.50 -0.04 1.46 0.83 2nz1X1 LYS 258 HD2 -0.02 0.00 -0.26 -0.04 1.69 1.37 2nz1X1 LYS 258 HD3 -0.02 0.00 -0.17 -0.04 1.68 1.45 2nz1X1 LYS 258 HE2 -0.02 -0.02 -0.15 -0.04 2.99 2.76 2nz1X1 LYS 258 HE3 -0.02 -0.01 -0.14 -0.04 2.99 2.78 2nz1X1 MET 259 H -0.06 0.58 0.35 -0.55 8.47 8.79 2nz1X1 MET 259 HA -0.01 0.24 1.14 -0.75 4.52 5.13 2nz1X1 MET 259 HB2 -0.02 0.11 0.09 -0.04 2.15 2.28 2nz1X1 MET 259 HB3 -0.07 -0.05 -0.02 -0.04 2.03 1.85 2nz1X1 MET 259 HG2 -0.08 0.01 -0.04 -0.04 2.63 2.48 2nz1X1 MET 259 HG3 -0.03 -0.04 -0.12 -0.04 2.56 2.33 2nz1X1 MET 259 HE3 -0.03 0.00 -0.12 -0.04 2.10 1.91 2nz1X1 ASN 260 H 0.04 0.61 0.25 -0.55 8.53 8.88 2nz1X1 ASN 260 HA 0.04 0.27 0.87 -0.75 4.76 5.18 2nz1X1 ASN 260 HB2 0.03 -0.08 -0.08 -0.04 2.88 2.71 2nz1X1 ASN 260 HB3 0.05 0.17 0.22 -0.04 2.79 3.19 2nz1X1 ASN 260 HD21 0.05 0.53 0.30 -0.04 7.03 7.87 2nz1X1 ASN 260 HD22 0.03 0.29 0.18 -0.04 7.74 8.20 2nz1X1 THR 261 H 0.07 0.35 0.27 -0.55 8.28 8.42 2nz1X1 THR 261 HA 0.07 0.21 0.85 -0.75 4.39 4.77 2nz1X1 THR 261 HB 0.08 0.07 0.11 -0.04 4.32 4.54 2nz1X1 THR 261 HG23 0.04 0.03 -0.04 -0.04 1.22 1.20 2nz1X1 CYS 262 H 0.12 0.02 0.00 -0.55 8.50 8.09 2nz1X1 CYS 262 HA 0.32 0.03 0.28 -0.75 4.58 4.46 2nz1X1 CYS 262 HB2 0.13 0.27 -0.06 -0.04 2.97 3.27 2nz1X1 CYS 262 HB3 0.19 -0.04 -0.06 -0.04 2.97 3.02 2nz1X1 PRO 263 HA 0.20 0.01 0.33 -0.51 4.44 4.48 2nz1X1 PRO 263 HB2 -0.00 0.09 -0.12 -0.04 2.28 2.20 2nz1X1 PRO 263 HB3 -0.09 -0.00 -0.06 -0.04 2.02 1.83 2nz1X1 PRO 263 HG2 0.07 0.11 -0.10 -0.04 2.03 2.07 2nz1X1 PRO 263 HG3 0.03 -0.02 -0.16 -0.04 2.03 1.84 2nz1X1 PRO 263 HD2 0.11 0.24 -0.67 -0.04 3.68 3.32 2nz1X1 PRO 263 HD3 0.09 0.03 -0.17 -0.04 3.65 3.55 2nz1X1 CYS 264 H -0.03 0.57 -0.42 -0.55 8.50 8.06 2nz1X1 CYS 264 HA -0.10 0.06 0.33 -0.75 4.58 4.11 2nz1X1 CYS 264 HB2 -1.06 0.03 0.04 -0.04 2.97 1.93 2nz1X1 CYS 264 HB3 -1.31 -0.04 -0.03 -0.04 2.97 1.54 2nz1X1 TYR 265 H 0.05 0.39 -0.18 -0.55 8.29 8.00 2nz1X1 TYR 265 HA 0.11 0.08 0.47 -0.75 4.56 4.47 2nz1X1 TYR 265 HB2 -0.09 0.17 0.12 -0.04 3.06 3.22 2nz1X1 TYR 265 HB3 -0.19 -0.02 -0.04 -0.04 2.98 2.68 2nz1X1 TYR 265 HD2 0.10 0.04 0.02 -0.04 7.15 7.27 2nz1X1 TYR 265 HE2 0.21 0.02 -0.02 -0.04 6.85 7.03 2nz1X1 TYR 266 H 0.16 0.27 -0.22 -0.55 8.29 7.95 2nz1X1 TYR 266 HA 0.04 0.06 0.42 -0.75 4.56 4.32 2nz1X1 TYR 266 HB2 -0.04 0.10 0.11 -0.04 3.06 3.19 2nz1X1 TYR 266 HB3 -0.04 0.06 0.05 -0.04 2.98 3.01 2nz1X1 TYR 266 HD2 0.01 0.03 -0.06 -0.04 7.15 7.09 2nz1X1 TYR 266 HE2 -0.00 0.01 -0.14 -0.04 6.85 6.68 2nz1X1 LYS 267 H -0.04 0.27 -0.36 -0.55 8.42 7.74 2nz1X1 LYS 267 HA -0.15 0.00 0.40 -0.75 4.32 3.82 2nz1X1 LYS 267 HB2 -0.24 -0.08 -0.07 -0.04 1.87 1.45 2nz1X1 LYS 267 HB3 -0.36 0.06 0.11 -0.04 1.79 1.56 2nz1X1 LYS 267 HG2 -1.05 -0.03 -0.22 -0.04 1.46 0.11 2nz1X1 LYS 267 HG3 -0.31 0.03 -0.29 -0.04 1.46 0.85 2nz1X1 LYS 267 HD2 -0.13 -0.00 -0.01 -0.04 1.69 1.50 2nz1X1 LYS 267 HD3 -0.14 -0.03 0.03 -0.04 1.68 1.50 2nz1X1 LYS 267 HE2 0.22 -0.02 -0.07 -0.04 2.99 3.07 2nz1X1 LYS 267 HE3 -0.16 -0.12 -0.02 -0.04 2.99 2.64 2nz1X1 TYR 268 H 0.01 0.40 -0.03 -0.55 8.29 8.12 2nz1X1 TYR 268 HA 0.04 0.20 1.00 -0.75 4.56 5.04 2nz1X1 TYR 268 HB2 0.06 0.06 -0.04 -0.04 3.06 3.10 2nz1X1 TYR 268 HB3 0.06 -0.12 -0.17 -0.04 2.98 2.71 2nz1X1 TYR 268 HD2 -0.03 0.04 -0.00 -0.04 7.15 7.12 2nz1X1 TYR 268 HE2 0.04 -0.03 0.02 -0.04 6.85 6.84 2nz1X1 SER 269 H 0.11 0.48 0.14 -0.55 8.46 8.65 2nz1X1 SER 269 HA 0.12 -0.01 0.36 -0.75 4.49 4.20 2nz1X1 SER 269 HB2 0.20 0.03 0.10 -0.04 3.95 4.23 2nz1X1 SER 269 HB3 0.03 0.11 0.09 -0.04 3.93 4.12 2nz1X1 VAL 270 H 0.06 0.47 0.26 -0.55 8.24 8.48 2nz1X1 VAL 270 HA 0.03 0.17 0.71 -0.75 4.13 4.29 2nz1X1 VAL 270 HB 0.02 -0.09 0.21 -0.04 2.12 2.23 2nz1X1 VAL 270 HG13 0.04 0.03 0.06 -0.04 0.97 1.07 2nz1X1 VAL 270 HG23 0.03 0.05 0.07 -0.04 0.95 1.06 2nz1X1 SER 271 H 0.04 0.04 -0.36 -0.55 8.46 7.63 2nz1X1 SER 271 HA 0.01 0.15 0.78 -0.75 4.49 4.67 2nz1X1 SER 271 HB2 0.04 -0.07 0.07 -0.04 3.95 3.94 2nz1X1 SER 271 HB3 -0.00 0.14 -0.07 -0.04 3.93 3.96 2nz1X1 PRO 272 HA -0.00 0.07 0.41 -0.51 4.44 4.41 2nz1X1 PRO 272 HB2 -0.01 -0.05 0.04 -0.04 2.28 2.22 2nz1X1 PRO 272 HB3 -0.00 0.03 0.04 -0.04 2.02 2.05 2nz1X1 PRO 272 HG2 -0.01 -0.01 0.07 -0.04 2.03 2.04 2nz1X1 PRO 272 HG3 0.00 0.08 0.03 -0.04 2.03 2.11 2nz1X1 PRO 272 HD2 -0.01 0.01 0.21 -0.04 3.68 3.85 2nz1X1 PRO 272 HD3 -0.00 0.22 0.22 -0.04 3.65 4.05 2nz1X1 LEU 273 H -0.00 0.16 0.13 -0.55 8.37 8.12 2nz1X1 LEU 273 HA -0.08 0.16 0.87 -0.75 4.35 4.55 2nz1X1 LEU 273 HB2 -0.06 -0.01 -0.04 -0.04 1.64 1.49 2nz1X1 LEU 273 HB3 -0.34 0.02 -0.03 -0.04 1.64 1.26 2nz1X1 LEU 273 HG -0.11 0.23 -0.30 -0.04 1.64 1.42 2nz1X1 LEU 273 HD13 -0.60 0.04 -0.22 -0.04 0.93 0.11 2nz1X1 LEU 273 HD23 -0.19 -0.01 -0.14 -0.04 0.89 0.51 2nz1X1 PRO 274 HA 0.03 -0.03 0.43 -0.51 4.44 4.36 2nz1X1 PRO 274 HB2 0.09 0.07 -0.07 -0.04 2.28 2.33 2nz1X1 PRO 274 HB3 0.02 -0.01 0.05 -0.04 2.02 2.05 2nz1X1 PRO 274 HG2 -0.01 -0.10 -0.03 -0.04 2.03 1.85 2nz1X1 PRO 274 HG3 -0.01 0.01 0.05 -0.04 2.03 2.04 2nz1X1 PRO 274 HD2 -0.02 0.14 0.08 -0.04 3.68 3.84 2nz1X1 PRO 274 HD3 -0.07 0.17 0.17 -0.04 3.65 3.88 2nz1X1 ALA 275 H 0.03 0.03 0.18 -0.55 8.40 8.10 2nz1X1 ALA 275 HA 0.05 0.09 0.45 -0.75 4.34 4.18 2nz1X1 ALA 275 HB3 0.01 -0.00 0.08 -0.04 1.41 1.46 2nz1X1 MET 276 H -0.04 0.24 0.17 -0.55 8.47 8.29 2nz1X1 MET 276 HA -0.08 0.12 0.84 -0.75 4.52 4.65 2nz1X1 MET 276 HB2 -0.27 -0.02 -0.09 -0.04 2.15 1.73 2nz1X1 MET 276 HB3 -0.23 0.08 -0.02 -0.04 2.03 1.82 2nz1X1 MET 276 HG2 0.02 0.11 -0.76 -0.04 2.63 1.96 2nz1X1 MET 276 HG3 -0.12 0.00 -0.20 -0.04 2.56 2.20 2nz1X1 MET 276 HE3 -0.16 0.03 -0.02 -0.04 2.10 1.91 2nz1X1 ASP 277 H -0.12 0.15 0.14 -0.55 8.40 8.03 2nz1X1 ASP 277 HA -0.02 0.06 0.47 -0.75 4.63 4.39 2nz1X1 ASP 277 HB2 0.01 -0.02 0.11 -0.04 2.71 2.78 2nz1X1 ASP 277 HB3 0.03 -0.01 0.14 -0.04 2.70 2.82 2nz1X1 HIS 278 H -0.40 0.16 0.04 -0.55 8.41 7.68 2nz1X1 HIS 278 HA -0.11 0.19 0.68 -0.75 4.63 4.64 2nz1X1 HIS 278 HB2 -0.07 0.02 0.03 -0.04 3.26 3.21 2nz1X1 HIS 278 HB3 -0.06 0.05 -0.25 -0.04 3.20 2.90 2nz1X1 HIS 278 HD2 -0.04 0.03 -0.42 -0.04 6.97 6.49 2nz1X1 HIS 278 HE1 -0.02 -0.01 -0.05 -0.04 7.75 7.62 2nz1X1 LEU 279 H -0.02 0.69 0.34 -0.55 8.37 8.84 2nz1X1 LEU 279 HA -0.12 0.22 0.91 -0.75 4.35 4.60 2nz1X1 LEU 279 HB2 -0.12 -0.00 -0.05 -0.04 1.64 1.42 2nz1X1 LEU 279 HB3 -0.09 0.04 -0.08 -0.04 1.64 1.48 2nz1X1 LEU 279 HG -0.39 -0.07 -0.24 -0.04 1.64 0.90 2nz1X1 LEU 279 HD13 -0.44 -0.00 -0.09 -0.04 0.93 0.36 2nz1X1 LEU 279 HD23 -0.40 0.06 -0.10 -0.04 0.89 0.41 2nz1X1 ILE 280 H 0.00 0.27 0.10 -0.55 8.25 8.08 2nz1X1 ILE 280 HA 0.04 0.24 1.02 -0.75 4.18 4.73 2nz1X1 ILE 280 HB 0.03 0.02 0.12 -0.04 1.89 2.02 2nz1X1 ILE 280 HG12 0.07 0.02 -0.12 -0.04 1.49 1.42 2nz1X1 ILE 280 HG13 0.14 -0.04 -0.23 -0.04 1.21 1.03 2nz1X1 ILE 280 HG23 0.02 -0.01 -0.17 -0.04 0.93 0.73 2nz1X1 ILE 280 HD13 0.06 0.00 -0.08 -0.04 0.88 0.82 2nz1X1 LEU 281 H 0.01 0.51 0.24 -0.55 8.37 8.58 2nz1X1 LEU 281 HA 0.06 0.10 0.55 -0.75 4.35 4.31 2nz1X1 LEU 281 HB2 0.04 0.01 0.01 -0.04 1.64 1.66 2nz1X1 LEU 281 HB3 0.13 -0.01 -0.00 -0.04 1.64 1.72 2nz1X1 LEU 281 HG -0.02 0.02 -0.20 -0.04 1.64 1.40 2nz1X1 LEU 281 HD13 0.01 -0.00 -0.18 -0.04 0.93 0.71 2nz1X1 LEU 281 HD23 -0.05 0.00 -0.18 -0.04 0.89 0.63 2nz1X1 ALA 282 H 0.02 0.30 0.13 -0.55 8.40 8.30 2nz1X1 ALA 282 HA 0.01 0.10 0.49 -0.75 4.34 4.18 2nz1X1 ALA 282 HB3 0.01 0.05 0.05 -0.04 1.41 1.49 2nz1X1 ASP 283 H -0.02 0.54 0.40 -0.55 8.40 8.77 2nz1X1 ASP 283 HA -0.03 0.19 0.84 -0.75 4.63 4.88 2nz1X1 ASP 283 HB2 -0.03 0.01 0.12 -0.04 2.71 2.77 2nz1X1 ASP 283 HB3 -0.02 0.02 -0.06 -0.04 2.70 2.60 2nz1X1 LEU 284 H -0.06 0.57 0.36 -0.55 8.37 8.69 2nz1X1 LEU 284 HA -0.04 0.38 1.02 -0.75 4.35 4.97 2nz1X1 LEU 284 HB2 -0.03 0.02 -0.19 -0.04 1.64 1.40 2nz1X1 LEU 284 HB3 -0.10 -0.07 0.06 -0.04 1.64 1.49 2nz1X1 LEU 284 HG -0.11 -0.03 -0.38 -0.04 1.64 1.08 2nz1X1 LEU 284 HD13 0.00 0.05 -0.30 -0.04 0.93 0.63 2nz1X1 LEU 284 HD23 -0.08 -0.00 -0.18 -0.04 0.89 0.58 2nz1X1 ALA 285 H -0.05 0.64 0.38 -0.55 8.40 8.82 2nz1X1 ALA 285 HA -0.09 0.27 1.20 -0.75 4.34 4.97 2nz1X1 ALA 285 HB3 -0.04 -0.01 0.08 -0.04 1.41 1.40 2nz1X1 GLY 286 H -0.08 0.37 0.40 -0.55 8.43 8.58 2nz1X1 GLY 286 HA2 -0.03 -0.02 0.40 -0.51 4.01 3.86 2nz1X1 GLY 286 HA3 -0.04 0.32 0.93 -0.51 4.01 4.72 2nz1X1 LEU 287 H -0.18 0.37 0.15 -0.55 8.37 8.17 2nz1X1 LEU 287 HA -0.24 0.10 0.36 -0.75 4.35 3.83 2nz1X1 LEU 287 HB2 -0.47 0.04 0.03 -0.04 1.64 1.20 2nz1X1 LEU 287 HB3 -1.50 0.05 -0.00 -0.04 1.64 0.15 2nz1X1 LEU 287 HG -0.39 0.05 -0.18 -0.04 1.64 1.08 2nz1X1 LEU 287 HD13 -0.74 -0.01 -0.32 -0.04 0.93 -0.18 2nz1X1 LEU 287 HD23 -0.76 0.00 -0.15 -0.04 0.89 -0.06 2nz1X1 ASP 288 H 0.01 -0.04 -0.30 -0.55 8.40 7.52 2nz1X1 ASP 288 HA 0.22 0.12 0.35 -0.75 4.63 4.56 2nz1X1 ASP 288 HB2 0.04 -0.02 0.03 -0.04 2.71 2.72 2nz1X1 ASP 288 HB3 0.07 0.05 0.00 -0.04 2.70 2.78 2nz1X1 SER 289 H 0.06 0.30 -0.33 -0.55 8.46 7.94 2nz1X1 SER 289 HA 0.07 0.21 0.86 -0.75 4.49 4.88 2nz1X1 SER 289 HB2 0.04 -0.01 0.14 -0.04 3.95 4.07 2nz1X1 SER 289 HB3 0.03 -0.06 -0.02 -0.04 3.93 3.84 2nz1X1 LEU 290 H 0.19 0.31 -0.35 -0.55 8.37 7.98 2nz1X1 LEU 290 HA 0.11 0.04 0.65 -0.75 4.35 4.40 2nz1X1 LEU 290 HB2 0.04 0.02 0.01 -0.04 1.64 1.67 2nz1X1 LEU 290 HB3 0.27 0.07 0.16 -0.04 1.64 2.09 2nz1X1 LEU 290 HG 0.27 0.09 -0.06 -0.04 1.64 1.89 2nz1X1 LEU 290 HD13 0.07 -0.04 0.04 -0.04 0.93 0.96 2nz1X1 LEU 290 HD23 -0.10 -0.02 -0.10 -0.04 0.89 0.64 2nz1X1 THR 291 H 0.10 0.14 0.17 -0.55 8.28 8.14 2nz1X1 THR 291 HA 0.06 0.24 0.90 -0.75 4.39 4.84 2nz1X1 THR 291 HB 0.01 -0.03 0.21 -0.04 4.32 4.48 2nz1X1 THR 291 HG23 0.03 0.04 -0.10 -0.04 1.22 1.15 2nz1X1 SER 292 H 0.19 0.23 -0.13 -0.55 8.46 8.20 2nz1X1 SER 292 HA 0.04 0.14 0.64 -0.75 4.49 4.55 2nz1X1 SER 292 HB2 0.08 0.14 0.10 -0.04 3.95 4.24 2nz1X1 SER 292 HB3 0.06 0.04 -0.07 -0.04 3.93 3.92 2nz1X1 PRO 293 HA 0.27 0.17 0.66 -0.51 4.44 5.03 2nz1X1 PRO 293 HB2 -0.22 0.07 -0.08 -0.04 2.28 2.00 2nz1X1 PRO 293 HB3 -0.04 -0.07 0.05 -0.04 2.02 1.93 2nz1X1 PRO 293 HG2 0.17 0.05 -0.13 -0.04 2.03 2.08 2nz1X1 PRO 293 HG3 0.06 -0.03 -0.15 -0.04 2.03 1.87 2nz1X1 PRO 293 HD2 0.08 0.17 0.06 -0.04 3.68 3.96 2nz1X1 PRO 293 HD3 0.02 0.09 0.11 -0.04 3.65 3.83 2nz1X1 VAL 294 H 0.07 0.55 0.37 -0.55 8.24 8.68 2nz1X1 VAL 294 HA 0.09 0.27 1.04 -0.75 4.13 4.78 2nz1X1 VAL 294 HB -0.04 -0.12 0.11 -0.04 2.12 2.03 2nz1X1 VAL 294 HG13 0.01 0.01 -0.18 -0.04 0.97 0.77 2nz1X1 VAL 294 HG23 -0.10 -0.00 -0.08 -0.04 0.95 0.73 2nz1X1 TYR 295 H 0.26 0.77 0.36 -0.55 8.29 9.13 2nz1X1 TYR 295 HA 0.07 0.30 1.15 -0.75 4.56 5.33 2nz1X1 TYR 295 HB2 0.20 0.00 0.06 -0.04 3.06 3.28 2nz1X1 TYR 295 HB3 0.08 -0.02 -0.07 -0.04 2.98 2.93 2nz1X1 TYR 295 HD2 0.22 0.04 -0.18 -0.04 7.15 7.18 2nz1X1 TYR 295 HE2 0.18 -0.02 -0.04 -0.04 6.85 6.93 2nz1X1 VAL 296 H 0.08 0.53 0.28 -0.55 8.24 8.58 2nz1X1 VAL 296 HA 0.02 0.50 1.06 -0.75 4.13 4.96 2nz1X1 VAL 296 HB 0.01 -0.10 0.03 -0.04 2.12 2.01 2nz1X1 VAL 296 HG13 0.01 -0.01 -0.21 -0.04 0.97 0.72 2nz1X1 VAL 296 HG23 0.02 -0.02 -0.29 -0.04 0.95 0.62 2nz1X1 MET 297 H -0.06 0.53 0.36 -0.55 8.47 8.76 2nz1X1 MET 297 HA -0.10 0.31 1.31 -0.75 4.52 5.28 2nz1X1 MET 297 HB2 -0.50 -0.06 -0.13 -0.04 2.15 1.43 2nz1X1 MET 297 HB3 -0.23 0.00 0.05 -0.04 2.03 1.81 2nz1X1 MET 297 HG2 -0.01 0.02 -0.39 -0.04 2.63 2.21 2nz1X1 MET 297 HG3 -0.06 0.04 -0.17 -0.04 2.56 2.33 2nz1X1 MET 297 HE3 -0.60 0.01 -0.25 -0.04 2.10 1.21 2nz1X1 ALA 298 H 0.01 0.63 0.42 -0.55 8.40 8.92 2nz1X1 ALA 298 HA 0.03 0.37 1.23 -0.75 4.34 5.21 2nz1X1 ALA 298 HB3 0.02 -0.03 0.06 -0.04 1.41 1.42 2nz1X1 ALA 299 H 0.02 0.70 0.42 -0.55 8.40 8.99 2nz1X1 ALA 299 HA -0.42 0.47 1.04 -0.75 4.34 4.68 2nz1X1 ALA 299 HB3 -0.26 -0.03 0.05 -0.04 1.41 1.13 2nz1X1 TYR 300 H -0.39 0.54 0.29 -0.55 8.29 8.18 2nz1X1 TYR 300 HA -0.23 0.13 0.99 -0.75 4.56 4.70 2nz1X1 TYR 300 HB2 -0.03 0.22 0.05 -0.04 3.06 3.26 2nz1X1 TYR 300 HB3 -0.07 -0.09 -0.20 -0.04 2.98 2.58 2nz1X1 TYR 300 HD2 -0.03 0.14 -0.33 -0.04 7.15 6.89 2nz1X1 TYR 300 HE2 -0.06 -0.07 -0.18 -0.04 6.85 6.50 2nz1X1 PHE 301 H 0.13 0.64 0.35 -0.55 8.34 8.91 2nz1X1 PHE 301 HA 0.01 0.12 0.76 -0.75 4.62 4.75 2nz1X1 PHE 301 HB2 0.04 0.04 0.15 -0.04 3.15 3.34 2nz1X1 PHE 301 HB3 0.04 0.07 0.05 -0.04 3.06 3.18 2nz1X1 PHE 301 HD2 -0.02 0.10 -0.16 -0.04 7.28 7.16 2nz1X1 PHE 301 HE2 -0.07 0.03 -0.17 -0.04 7.38 7.13 2nz1X1 PHE 301 HZ -0.10 -0.04 -0.08 -0.04 7.32 7.06 2nz1X1 ASP 302 H 0.35 0.18 0.21 -0.55 8.40 8.59 2nz1X1 ASP 302 HA 0.15 0.05 0.47 -0.75 4.63 4.55 2nz1X1 ASP 302 HB2 0.35 0.06 0.17 -0.04 2.71 3.24 2nz1X1 ASP 302 HB3 0.14 0.04 0.02 -0.04 2.70 2.86 2nz1X1 SER 303 H 0.08 0.06 0.18 -0.55 8.46 8.23 2nz1X1 SER 303 HA 0.07 0.16 0.43 -0.75 4.49 4.40 2nz1X1 SER 303 HB2 0.04 0.06 0.11 -0.04 3.95 4.12 2nz1X1 SER 303 HB3 0.03 -0.09 0.14 -0.04 3.93 3.97 2nz1X1 THR 304 H 0.03 -0.05 -0.06 -0.55 8.28 7.65 2nz1X1 THR 304 HA 0.03 -0.07 0.33 -0.75 4.39 3.92 2nz1X1 THR 304 HB -0.04 0.06 0.04 -0.04 4.32 4.35 2nz1X1 THR 304 HG23 -0.00 -0.03 0.07 -0.04 1.22 1.22 2nz1X1 HIS 305 H 0.07 -0.03 0.18 -0.55 8.41 8.08 2nz1X1 HIS 305 HA 0.01 0.20 0.59 -0.75 4.63 4.67 2nz1X1 HIS 305 HB2 0.00 0.00 0.16 -0.04 3.26 3.38 2nz1X1 HIS 305 HB3 0.01 -0.04 0.16 -0.04 3.20 3.28 2nz1X1 HIS 305 HD2 0.00 -0.04 0.02 -0.04 6.97 6.91 2nz1X1 HIS 305 HE1 -0.00 0.01 0.02 -0.04 7.75 7.73 2nz1X1 GLU 306 H 0.28 0.09 0.13 -0.55 8.60 8.55 2nz1X1 GLU 306 HA -0.03 0.25 0.85 -0.75 4.29 4.61 2nz1X1 GLU 306 HB2 0.06 -0.02 -0.22 -0.04 2.09 1.88 2nz1X1 GLU 306 HB3 0.01 -0.11 0.05 -0.04 1.99 1.89 2nz1X1 GLU 306 HG2 0.06 -0.03 0.04 -0.04 2.34 2.37 2nz1X1 GLU 306 HG3 -0.00 0.02 -0.04 -0.04 2.34 2.28 2nz1X1 ASN 307 H 0.01 0.30 -0.01 -0.55 8.53 8.29 2nz1X1 ASN 307 HA 0.08 0.19 0.75 -0.75 4.76 5.02 2nz1X1 ASN 307 HB2 0.00 0.07 0.06 -0.04 2.88 2.97 2nz1X1 ASN 307 HB3 0.00 0.03 0.17 -0.04 2.79 2.95 2nz1X1 ASN 307 HD21 0.01 -0.00 0.00 -0.04 7.03 7.00 2nz1X1 ASN 307 HD22 0.01 0.04 0.01 -0.04 7.74 7.76 2nz1X1 PRO 308 HA 0.01 0.09 0.33 -0.51 4.44 4.36 2nz1X1 PRO 308 HB2 0.01 -0.01 0.01 -0.04 2.28 2.25 2nz1X1 PRO 308 HB3 0.00 0.06 0.05 -0.04 2.02 2.10 2nz1X1 PRO 308 HG2 0.01 0.04 0.05 -0.04 2.03 2.09 2nz1X1 PRO 308 HG3 0.01 0.07 0.02 -0.04 2.03 2.09 2nz1X1 PRO 308 HD2 0.04 0.05 0.16 -0.04 3.68 3.89 2nz1X1 PRO 308 HD3 0.08 0.38 0.10 -0.04 3.65 4.17 2nz1X1 VAL 309 H 0.01 0.03 -0.41 -0.55 8.24 7.32 2nz1X1 VAL 309 HA -0.00 0.08 0.41 -0.75 4.13 3.87 2nz1X1 VAL 309 HB 0.01 -0.03 -0.02 -0.04 2.12 2.03 2nz1X1 VAL 309 HG13 -0.00 0.00 -0.05 -0.04 0.97 0.89 2nz1X1 VAL 309 HG23 0.00 -0.01 0.00 -0.04 0.95 0.91 2nz1X1 ARG 310 H 0.00 0.51 -0.37 -0.55 8.46 8.05 2nz1X1 ARG 310 HA -0.01 0.19 0.72 -0.75 4.34 4.48 2nz1X1 ARG 310 HB2 -0.01 -0.02 -0.24 -0.04 1.90 1.59 2nz1X1 ARG 310 HB3 -0.01 -0.08 0.13 -0.04 1.80 1.80 2nz1X1 ARG 310 HG2 -0.01 -0.03 -0.07 -0.04 1.67 1.51 2nz1X1 ARG 310 HG3 -0.01 0.06 0.01 -0.04 1.67 1.68 2nz1X1 ARG 310 HD2 -0.01 -0.04 -0.00 -0.04 3.22 3.13 2nz1X1 ARG 310 HD3 -0.01 -0.00 -0.02 -0.04 3.22 3.15 2nz1X1 PRO 311 HA -0.03 -0.07 0.41 -0.51 4.44 4.25 2nz1X1 PRO 311 HB2 -0.06 -0.02 0.12 -0.04 2.28 2.28 2nz1X1 PRO 311 HB3 -0.06 0.04 0.01 -0.04 2.02 1.96 2nz1X1 PRO 311 HG2 -0.03 0.02 0.05 -0.04 2.03 2.03 2nz1X1 PRO 311 HG3 -0.02 -0.00 0.02 -0.04 2.03 1.99 2nz1X1 PRO 311 HD2 -0.02 0.06 0.03 -0.04 3.68 3.71 2nz1X1 PRO 311 HD3 -0.01 0.25 -0.42 -0.04 3.65 3.43 2nz1X1 SER 312 H -0.03 0.11 0.24 -0.55 8.46 8.24 2nz1X1 SER 312 HA -0.03 0.06 0.56 -0.75 4.49 4.32 2nz1X1 SER 312 HB2 -0.02 0.05 0.12 -0.04 3.95 4.07 2nz1X1 SER 312 HB3 -0.01 0.02 0.23 -0.04 3.93 4.12 2nz1X1 SER 313 H -0.06 0.21 0.12 -0.55 8.46 8.18 2nz1X1 SER 313 HA -0.15 0.28 0.84 -0.75 4.49 4.71 2nz1X1 SER 313 HB2 -0.20 0.01 0.09 -0.04 3.95 3.81 2nz1X1 SER 313 HB3 -0.25 0.07 -0.03 -0.04 3.93 3.67 2nz1X1 LYS 314 H 0.05 0.30 -0.23 -0.55 8.42 7.98 2nz1X1 LYS 314 HA -0.07 -0.00 0.65 -0.75 4.32 4.15 2nz1X1 LYS 314 HB2 -0.06 -0.00 -0.05 -0.04 1.87 1.71 2nz1X1 LYS 314 HB3 -0.07 -0.00 0.09 -0.04 1.79 1.76 2nz1X1 LYS 314 HG2 -0.73 0.07 -0.26 -0.04 1.46 0.50 2nz1X1 LYS 314 HG3 -0.24 -0.04 -0.07 -0.04 1.46 1.07 2nz1X1 LYS 314 HD2 -0.08 0.04 -0.06 -0.04 1.69 1.56 2nz1X1 LYS 314 HD3 -0.06 -0.03 -0.04 -0.04 1.68 1.51 2nz1X1 LYS 314 HE2 -0.14 -0.05 0.02 -0.04 2.99 2.78 2nz1X1 LYS 314 HE3 -0.04 -0.01 0.00 -0.04 2.99 2.90 2nz1X1 LEU 315 H -0.14 0.03 0.17 -0.55 8.37 7.88 2nz1X1 LEU 315 HA -0.37 0.17 0.62 -0.75 4.35 4.02 2nz1X1 LEU 315 HB2 -0.24 -0.02 -0.04 -0.04 1.64 1.30 2nz1X1 LEU 315 HB3 -0.19 -0.09 0.08 -0.04 1.64 1.39 2nz1X1 LEU 315 HG -0.43 0.16 -0.22 -0.04 1.64 1.11 2nz1X1 LEU 315 HD13 -0.92 0.02 -0.24 -0.04 0.93 -0.26 2nz1X1 LEU 315 HD23 -0.24 -0.01 -0.22 -0.04 0.89 0.37 2nz1X1 TYR 316 H -0.42 0.74 0.39 -0.55 8.29 8.45 2nz1X1 TYR 316 HA -0.14 0.20 1.04 -0.75 4.56 4.91 2nz1X1 TYR 316 HB2 -1.26 0.08 0.07 -0.04 3.06 1.91 2nz1X1 TYR 316 HB3 -0.32 -0.05 0.08 -0.04 2.98 2.65 2nz1X1 TYR 316 HD2 -0.19 0.06 0.07 -0.04 7.15 7.04 2nz1X1 TYR 316 HE2 -0.02 -0.04 0.03 -0.04 6.85 6.78 2nz1X1 HIS 317 H 0.20 0.19 0.24 -0.55 8.41 8.49 2nz1X1 HIS 317 HA 0.08 0.45 1.10 -0.75 4.63 5.50 2nz1X1 HIS 317 HB2 0.11 0.13 0.13 -0.04 3.26 3.60 2nz1X1 HIS 317 HB3 0.11 -0.10 -0.12 -0.04 3.20 3.04 2nz1X1 HIS 317 HD2 -0.05 -0.09 -0.21 -0.04 6.97 6.57 2nz1X1 HIS 317 HE1 -0.00 0.11 -0.25 -0.04 7.75 7.57 2nz1X1 CYS 318 H 0.17 0.56 0.34 -0.55 8.50 9.02 2nz1X1 CYS 318 HA 0.14 0.09 0.75 -0.75 4.58 4.82 2nz1X1 CYS 318 HB2 0.08 -0.02 0.00 -0.04 2.97 3.00 2nz1X1 CYS 318 HB3 0.18 0.05 -0.06 -0.04 2.97 3.11 2nz1X1 ALA 319 H 0.07 0.17 0.11 -0.55 8.40 8.20 2nz1X1 ALA 319 HA -0.09 0.36 1.21 -0.75 4.34 5.07 2nz1X1 ALA 319 HB3 -0.34 0.00 -0.09 -0.04 1.41 0.94 2nz1X1 LEU 320 H 0.01 0.66 0.34 -0.55 8.37 8.83 2nz1X1 LEU 320 HA 0.06 0.11 0.78 -0.75 4.35 4.54 2nz1X1 LEU 320 HB2 0.01 0.00 0.04 -0.04 1.64 1.65 2nz1X1 LEU 320 HB3 0.01 0.00 0.04 -0.04 1.64 1.65 2nz1X1 LEU 320 HG 0.00 -0.03 -0.20 -0.04 1.64 1.38 2nz1X1 LEU 320 HD13 -0.02 0.06 -0.15 -0.04 0.93 0.78 2nz1X1 LEU 320 HD23 0.02 0.07 -0.22 -0.04 0.89 0.71 2nz1X1 GLN 321 H 0.02 0.09 0.24 -0.55 8.47 8.27 2nz1X1 GLN 321 HA -0.25 0.39 1.05 -0.75 4.36 4.80 2nz1X1 GLN 321 HB2 -0.10 0.05 -0.13 -0.04 2.15 1.92 2nz1X1 GLN 321 HB3 -0.04 -0.10 0.13 -0.04 2.02 1.97 2nz1X1 GLN 321 HG2 -0.24 -0.01 -0.31 -0.04 2.40 1.80 2nz1X1 GLN 321 HG3 -1.10 0.09 -0.11 -0.04 2.39 1.23 2nz1X1 GLN 321 HE21 0.04 -0.08 -0.04 -0.04 6.97 6.85 2nz1X1 GLN 321 HE22 -0.08 -0.00 -0.13 -0.04 7.69 7.44 2nz1X1 MET 322 H -0.08 0.83 0.34 -0.55 8.47 9.01 2nz1X1 MET 322 HA 0.08 0.21 0.87 -0.75 4.52 4.93 2nz1X1 MET 322 HB2 -0.00 -0.03 -0.04 -0.04 2.15 2.04 2nz1X1 MET 322 HB3 0.02 -0.06 0.14 -0.04 2.03 2.09 2nz1X1 MET 322 HG2 -0.10 -0.03 -0.17 -0.04 2.63 2.28 2nz1X1 MET 322 HG3 0.32 0.06 -0.23 -0.04 2.56 2.66 2nz1X1 MET 322 HE3 0.14 -0.03 -0.46 -0.04 2.10 1.71 2nz1X1 THR 323 H 0.11 0.75 0.35 -0.55 8.28 8.93 2nz1X1 THR 323 HA 0.04 0.15 0.95 -0.75 4.39 4.77 2nz1X1 THR 323 HB -0.20 0.01 -0.03 -0.04 4.32 4.06 2nz1X1 THR 323 HG23 -0.39 0.01 -0.13 -0.04 1.22 0.68 2nz1X1 SER 324 H -0.78 0.18 0.05 -0.55 8.46 7.36 2nz1X1 SER 324 HA -0.99 0.31 0.66 -0.75 4.49 3.71 2nz1X1 SER 324 HB2 -2.88 0.09 -0.13 -0.04 3.95 0.99 2nz1X1 SER 324 HB3 -1.08 0.02 0.04 -0.04 3.93 2.88 2nz1X1 HIS 325 H -0.31 0.98 0.28 -0.55 8.41 8.81 2nz1X1 HIS 325 HA -0.15 0.13 0.86 -0.75 4.63 4.72 2nz1X1 HIS 325 HB2 -0.09 0.03 0.15 -0.04 3.26 3.31 2nz1X1 HIS 325 HB3 -0.08 -0.02 0.01 -0.04 3.20 3.07 2nz1X1 HIS 325 HD2 -0.05 0.01 -0.03 -0.04 6.97 6.86 2nz1X1 HIS 325 HE1 -0.04 -0.02 -0.10 -0.04 7.75 7.55 2nz1X1 ASP 326 H -0.06 0.21 0.09 -0.55 8.40 8.10 2nz1X1 ASP 326 HA -0.05 0.05 0.32 -0.75 4.63 4.19 2nz1X1 ASP 326 HB2 -0.01 0.09 -0.21 -0.04 2.71 2.53 2nz1X1 ASP 326 HB3 -0.02 0.02 0.24 -0.04 2.70 2.90 2nz1X1 GLY 327 H -0.20 0.06 -0.55 -0.55 8.43 7.19 2nz1X1 GLY 327 HA2 -0.17 0.04 0.21 -0.51 4.01 3.58 2nz1X1 GLY 327 HA3 -0.07 0.14 0.55 -0.51 4.01 4.12 2nz1X1 VAL 328 H -0.11 0.74 -0.33 -0.55 8.24 7.98 2nz1X1 VAL 328 HA 0.01 0.11 0.81 -0.75 4.13 4.32 2nz1X1 VAL 328 HB 0.01 0.04 0.12 -0.04 2.12 2.25 2nz1X1 VAL 328 HG13 0.06 -0.01 -0.14 -0.04 0.97 0.84 2nz1X1 VAL 328 HG23 0.00 0.02 -0.05 -0.04 0.95 0.88 2nz1X1 TRP 329 H 0.25 0.16 0.17 -0.55 7.97 8.00 2nz1X1 TRP 329 HA -0.06 0.38 0.89 -0.75 4.62 5.08 2nz1X1 TRP 329 HB2 -0.02 -0.04 0.14 -0.04 3.23 3.27 2nz1X1 TRP 329 HB3 -0.03 -0.01 -0.13 -0.04 3.23 3.01 2nz1X1 TRP 329 HD1 -0.02 0.01 0.00 -0.04 7.22 7.17 2nz1X1 TRP 329 HE1 -0.02 0.10 -0.17 -0.04 10.20 10.06 2nz1X1 TRP 329 HE3 -0.08 -0.03 -0.55 -0.04 7.59 6.90 2nz1X1 TRP 329 HZ2 -0.03 0.33 0.10 -0.04 7.44 7.80 2nz1X1 TRP 329 HZ3 -0.08 0.09 -0.11 -0.04 7.13 6.99 2nz1X1 TRP 329 HH2 -0.04 0.13 -0.10 -0.04 7.19 7.15 2nz1X1 THR 330 H 0.12 0.62 0.38 -0.55 8.28 8.85 2nz1X1 THR 330 HA 0.11 0.15 0.90 -0.75 4.39 4.80 2nz1X1 THR 330 HB 0.09 0.04 0.10 -0.04 4.32 4.51 2nz1X1 THR 330 HG23 0.08 -0.01 -0.15 -0.04 1.22 1.10 2nz1X1 SER 331 H 0.06 0.18 0.23 -0.55 8.46 8.39 2nz1X1 SER 331 HA 0.06 0.37 1.30 -0.75 4.49 5.47 2nz1X1 SER 331 HB2 0.02 -0.05 0.10 -0.04 3.95 3.98 2nz1X1 SER 331 HB3 0.04 -0.10 -0.09 -0.04 3.93 3.74 2nz1X1 THR 332 H 0.03 0.24 0.35 -0.55 8.28 8.36 2nz1X1 THR 332 HA 0.04 0.08 0.63 -0.75 4.39 4.39 2nz1X1 THR 332 HB 0.05 0.03 0.22 -0.04 4.32 4.58 2nz1X1 THR 332 HG23 0.06 0.04 0.12 -0.04 1.22 1.39 2nz1X1 SER 333 H 0.02 0.19 0.26 -0.55 8.46 8.39 2nz1X1 SER 333 HA 0.00 0.22 0.87 -0.75 4.49 4.82 2nz1X1 SER 333 HB2 -0.00 -0.01 0.05 -0.04 3.95 3.95 2nz1X1 SER 333 HB3 0.00 0.10 -0.07 -0.04 3.93 3.93 2nz1X1 SER 334 H -0.01 0.38 0.14 -0.55 8.46 8.43 2nz1X1 SER 334 HA 0.01 0.09 0.73 -0.75 4.49 4.57 2nz1X1 SER 334 HB2 0.03 0.14 -0.13 -0.04 3.95 3.94 2nz1X1 SER 334 HB3 -0.00 0.08 0.05 -0.04 3.93 4.01 2nz1X1 GLU 335 H -0.00 0.15 0.15 -0.55 8.60 8.36 2nz1X1 GLU 335 HA -0.02 0.16 0.48 -0.75 4.29 4.14 2nz1X1 GLU 335 HB2 -0.01 -0.03 0.10 -0.04 2.09 2.11 2nz1X1 GLU 335 HB3 -0.01 0.05 0.07 -0.04 1.99 2.06 2nz1X1 GLU 335 HG2 -0.01 0.04 0.02 -0.04 2.34 2.36 2nz1X1 GLU 335 HG3 -0.00 -0.05 0.06 -0.04 2.34 2.31 2nz1X1 GLN 336 H -0.01 -0.06 -0.19 -0.55 8.47 7.67 2nz1X1 GLN 336 HA -0.04 0.21 0.66 -0.75 4.36 4.43 2nz1X1 GLN 336 HB2 0.02 -0.03 0.01 -0.04 2.15 2.11 2nz1X1 GLN 336 HB3 0.02 0.04 0.03 -0.04 2.02 2.07 2nz1X1 GLN 336 HG2 -0.00 -0.11 -0.03 -0.04 2.40 2.22 2nz1X1 GLN 336 HG3 -0.01 0.02 0.01 -0.04 2.39 2.37 2nz1X1 GLN 336 HE21 -0.02 0.02 -0.06 -0.04 6.97 6.86 2nz1X1 GLN 336 HE22 -0.01 -0.09 -0.20 -0.04 7.69 7.34 2nz1X1 CYS 337 H -0.04 -0.03 -0.28 -0.55 8.50 7.61 2nz1X1 CYS 337 HA -0.22 0.12 0.50 -0.75 4.58 4.22 2nz1X1 CYS 337 HB2 -0.01 -0.15 0.02 -0.04 2.97 2.79 2nz1X1 CYS 337 HB3 -0.06 0.15 0.06 -0.04 2.97 3.09 2nz1X1 PRO 338 HA -0.20 0.06 0.39 -0.51 4.44 4.18 2nz1X1 PRO 338 HB2 -0.23 0.00 -0.04 -0.04 2.28 1.97 2nz1X1 PRO 338 HB3 -0.41 0.06 0.07 -0.04 2.02 1.70 2nz1X1 PRO 338 HG2 -0.30 -0.07 0.03 -0.04 2.03 1.66 2nz1X1 PRO 338 HG3 -0.74 0.06 -0.03 -0.04 2.03 1.28 2nz1X1 PRO 338 HD2 -0.53 -0.01 0.17 -0.04 3.68 3.27 2nz1X1 PRO 338 HD3 -1.48 0.25 0.19 -0.04 3.65 2.56 2nz1X1 ILE 339 H -0.15 -0.01 -0.18 -0.55 8.25 7.36 2nz1X1 ILE 339 HA -0.08 0.31 0.86 -0.75 4.18 4.52 2nz1X1 ILE 339 HB -0.04 0.01 0.06 -0.04 1.89 1.89 2nz1X1 ILE 339 HG12 -0.06 -0.07 -0.07 -0.04 1.49 1.25 2nz1X1 ILE 339 HG13 -0.04 -0.00 -0.45 -0.04 1.21 0.68 2nz1X1 ILE 339 HG23 -0.06 -0.01 -0.11 -0.04 0.93 0.71 2nz1X1 ILE 339 HD13 -0.02 0.01 -0.22 -0.04 0.88 0.61 2nz1X1 ARG 340 H -0.04 0.51 0.32 -0.55 8.46 8.69 2nz1X1 ARG 340 HA -0.03 0.07 0.58 -0.75 4.34 4.20 2nz1X1 ARG 340 HB2 -0.04 0.01 0.04 -0.04 1.90 1.86 2nz1X1 ARG 340 HB3 -0.05 0.15 -0.18 -0.04 1.80 1.68 2nz1X1 ARG 340 HG2 -0.06 0.02 -0.17 -0.04 1.67 1.41 2nz1X1 ARG 340 HG3 -0.06 -0.04 -0.25 -0.04 1.67 1.28 2nz1X1 ARG 340 HD2 -0.05 0.06 -0.16 -0.04 3.22 3.03 2nz1X1 ARG 340 HD3 -0.08 -0.04 -0.16 -0.04 3.22 2.90 2nz1X1 LEU 341 H -0.02 0.23 0.17 -0.55 8.37 8.20 2nz1X1 LEU 341 HA -0.03 0.40 1.12 -0.75 4.35 5.09 2nz1X1 LEU 341 HB2 -0.01 -0.03 0.04 -0.04 1.64 1.60 2nz1X1 LEU 341 HB3 -0.02 0.01 -0.05 -0.04 1.64 1.54 2nz1X1 LEU 341 HG -0.01 -0.06 -0.16 -0.04 1.64 1.36 2nz1X1 LEU 341 HD13 -0.01 -0.00 -0.27 -0.04 0.93 0.61 2nz1X1 LEU 341 HD23 -0.01 0.02 -0.19 -0.04 0.89 0.66 2nz1X1 VAL 342 H -0.04 0.55 0.35 -0.55 8.24 8.55 2nz1X1 VAL 342 HA -0.02 0.12 0.80 -0.75 4.13 4.28 2nz1X1 VAL 342 HB -0.05 0.02 0.10 -0.04 2.12 2.15 2nz1X1 VAL 342 HG13 -0.06 -0.01 -0.31 -0.04 0.97 0.55 2nz1X1 VAL 342 HG23 -0.08 0.04 -0.16 -0.04 0.95 0.71 2nz1X1 GLU 343 H -0.01 0.10 0.17 -0.55 8.60 8.32 2nz1X1 GLU 343 HA -0.04 0.14 0.68 -0.75 4.29 4.31 2nz1X1 GLU 343 HB2 -0.00 0.04 0.01 -0.04 2.09 2.10 2nz1X1 GLU 343 HB3 0.03 0.01 0.15 -0.04 1.99 2.14 2nz1X1 GLU 343 HG2 0.00 -0.08 0.16 -0.04 2.34 2.38 2nz1X1 GLU 343 HG3 -0.01 0.11 -0.04 -0.04 2.34 2.36 2nz1X1 GLY 344 H -0.05 0.75 0.27 -0.55 8.43 8.86 2nz1X1 GLY 344 HA2 -0.03 0.15 0.44 -0.51 4.01 4.06 2nz1X1 GLY 344 HA3 -0.03 -0.13 0.31 -0.51 4.01 3.65 2nz1X1 GLN 345 H -0.01 0.10 0.11 -0.55 8.47 8.13 2nz1X1 GLN 345 HA -0.00 0.16 0.48 -0.75 4.36 4.24 2nz1X1 GLN 345 HB2 -0.01 -0.04 0.06 -0.04 2.15 2.11 2nz1X1 GLN 345 HB3 -0.00 0.02 0.10 -0.04 2.02 2.10 2nz1X1 GLN 345 HG2 0.00 0.05 0.01 -0.04 2.40 2.42 2nz1X1 GLN 345 HG3 -0.00 -0.05 0.02 -0.04 2.39 2.32 2nz1X1 GLN 345 HE21 0.00 0.01 -0.02 -0.04 6.97 6.93 2nz1X1 GLN 345 HE22 0.01 0.03 -0.02 -0.04 7.69 7.66 2nz1X1 SER 346 H -0.02 0.12 -0.23 -0.55 8.46 7.79 2nz1X1 SER 346 HA 0.01 0.23 0.56 -0.75 4.49 4.53 2nz1X1 SER 346 HB2 0.01 0.06 0.15 -0.04 3.95 4.12 2nz1X1 SER 346 HB3 -0.00 0.10 -0.19 -0.04 3.93 3.79 2nz1X1 GLN 347 H 0.03 0.23 0.13 -0.55 8.47 8.31 2nz1X1 GLN 347 HA 0.03 0.18 0.55 -0.75 4.36 4.36 2nz1X1 GLN 347 HB2 0.08 -0.01 0.15 -0.04 2.15 2.32 2nz1X1 GLN 347 HB3 0.18 0.07 0.15 -0.04 2.02 2.38 2nz1X1 GLN 347 HG2 0.07 -0.00 0.04 -0.04 2.40 2.47 2nz1X1 GLN 347 HG3 0.09 0.03 0.08 -0.04 2.39 2.55 2nz1X1 GLN 347 HE21 0.16 0.32 0.18 -0.04 6.97 7.59 2nz1X1 GLN 347 HE22 0.08 -0.02 0.07 -0.04 7.69 7.77 2nz1X1 ASN 348 H -0.01 -0.00 -0.57 -0.55 8.53 7.39 2nz1X1 ASN 348 HA -0.07 0.14 0.69 -0.75 4.76 4.77 2nz1X1 ASN 348 HB2 0.00 0.07 0.05 -0.04 2.88 2.96 2nz1X1 ASN 348 HB3 -0.02 0.05 0.02 -0.04 2.79 2.80 2nz1X1 ASN 348 HD21 -0.02 0.09 0.10 -0.04 7.03 7.15 2nz1X1 ASN 348 HD22 -0.02 0.09 0.01 -0.04 7.74 7.78 2nz1X1 VAL 349 H -0.08 0.38 -0.20 -0.55 8.24 7.79 2nz1X1 VAL 349 HA -0.13 0.41 1.21 -0.75 4.13 4.86 2nz1X1 VAL 349 HB -0.05 -0.17 0.13 -0.04 2.12 1.99 2nz1X1 VAL 349 HG13 -0.05 0.03 -0.16 -0.04 0.97 0.75 2nz1X1 VAL 349 HG23 -0.05 -0.03 -0.17 -0.04 0.95 0.66 2nz1X1 LEU 350 H -0.14 0.61 0.39 -0.55 8.37 8.69 2nz1X1 LEU 350 HA -0.10 0.24 0.97 -0.75 4.35 4.71 2nz1X1 LEU 350 HB2 -0.12 0.03 -0.03 -0.04 1.64 1.48 2nz1X1 LEU 350 HB3 -0.25 -0.02 -0.09 -0.04 1.64 1.23 2nz1X1 LEU 350 HG -0.12 -0.07 -0.01 -0.04 1.64 1.40 2nz1X1 LEU 350 HD13 -0.05 0.01 -0.57 -0.04 0.93 0.28 2nz1X1 LEU 350 HD23 -0.17 0.00 -0.14 -0.04 0.89 0.54 2nz1X1 GLN 351 H -0.05 0.78 0.33 -0.55 8.47 8.98 2nz1X1 GLN 351 HA -0.03 0.20 1.11 -0.75 4.36 4.89 2nz1X1 GLN 351 HB2 -0.04 0.06 -0.03 -0.04 2.15 2.10 2nz1X1 GLN 351 HB3 -0.02 0.05 -0.12 -0.04 2.02 1.89 2nz1X1 GLN 351 HG2 -0.01 0.03 -0.06 -0.04 2.40 2.32 2nz1X1 GLN 351 HG3 -0.03 -0.12 -0.36 -0.04 2.39 1.83 2nz1X1 GLN 351 HE21 0.00 0.03 -0.09 -0.04 6.97 6.87 2nz1X1 GLN 351 HE22 -0.01 -0.12 -0.07 -0.04 7.69 7.44 2nz1X1 VAL 352 H -0.01 0.67 0.30 -0.55 8.24 8.65 2nz1X1 VAL 352 HA -0.02 0.17 0.81 -0.75 4.13 4.34 2nz1X1 VAL 352 HB 0.01 -0.12 0.17 -0.04 2.12 2.15 2nz1X1 VAL 352 HG13 0.00 0.01 -0.13 -0.04 0.97 0.81 2nz1X1 VAL 352 HG23 0.00 0.00 -0.17 -0.04 0.95 0.74 2nz1X1 ARG 353 H -0.03 0.85 0.40 -0.55 8.46 9.13 2nz1X1 ARG 353 HA -0.00 0.29 1.21 -0.75 4.34 5.08 2nz1X1 ARG 353 HB2 -0.07 0.00 -0.01 -0.04 1.90 1.78 2nz1X1 ARG 353 HB3 -0.04 -0.02 0.03 -0.04 1.80 1.73 2nz1X1 ARG 353 HG2 0.01 0.04 -0.17 -0.04 1.67 1.51 2nz1X1 ARG 353 HG3 -0.07 -0.04 -0.32 -0.04 1.67 1.21 2nz1X1 ARG 353 HD2 -0.24 -0.01 -0.15 -0.04 3.22 2.79 2nz1X1 ARG 353 HD3 -0.51 -0.01 -0.14 -0.04 3.22 2.52 2nz1X1 VAL 354 H -0.01 0.43 0.34 -0.55 8.24 8.46 2nz1X1 VAL 354 HA -0.06 0.25 0.62 -0.75 4.13 4.18 2nz1X1 VAL 354 HB -0.07 0.02 -0.29 -0.04 2.12 1.73 2nz1X1 VAL 354 HG13 -0.10 -0.00 -0.29 -0.04 0.97 0.53 2nz1X1 VAL 354 HG23 -0.11 0.10 -0.11 -0.04 0.95 0.79 2nz1X1 ALA 355 H -0.07 0.28 0.16 -0.55 8.40 8.22 2nz1X1 ALA 355 HA -0.05 0.23 0.72 -0.75 4.34 4.48 2nz1X1 ALA 355 HB3 -0.05 0.01 0.11 -0.04 1.41 1.44 2nz1X1 PRO 356 HA -0.28 0.05 0.30 -0.51 4.44 4.01 2nz1X1 PRO 356 HB2 -0.12 -0.02 0.07 -0.04 2.28 2.17 2nz1X1 PRO 356 HB3 -0.48 0.07 0.02 -0.04 2.02 1.58 2nz1X1 PRO 356 HG2 -0.21 0.22 -0.01 -0.04 2.03 1.98 2nz1X1 PRO 356 HG3 -0.41 0.00 -0.14 -0.04 2.03 1.44 2nz1X1 PRO 356 HD2 -0.10 0.15 0.13 -0.04 3.68 3.82 2nz1X1 PRO 356 HD3 -0.12 0.13 0.12 -0.04 3.65 3.73 2nz1X1 THR 357 H -0.06 0.10 -0.25 -0.55 8.28 7.52 2nz1X1 THR 357 HA 0.00 0.15 0.34 -0.75 4.39 4.14 2nz1X1 THR 357 HB -0.01 -0.02 0.07 -0.04 4.32 4.32 2nz1X1 THR 357 HG23 -0.03 -0.01 -0.11 -0.04 1.22 1.03 2nz1X1 SER 358 H -0.07 0.60 -0.55 -0.55 8.46 7.90 2nz1X1 SER 358 HA -0.04 0.12 0.69 -0.75 4.49 4.51 2nz1X1 SER 358 HB2 -0.09 0.20 0.07 -0.04 3.95 4.09 2nz1X1 SER 358 HB3 -0.10 -0.06 -0.03 -0.04 3.93 3.70 2nz1X1 MET 359 H -0.07 0.42 -0.07 -0.55 8.47 8.21 2nz1X1 MET 359 HA -0.17 -0.05 0.30 -0.75 4.52 3.85 2nz1X1 MET 359 HB2 -0.03 0.21 -0.18 -0.04 2.15 2.11 2nz1X1 MET 359 HB3 -0.15 -0.02 -0.15 -0.04 2.03 1.66 2nz1X1 MET 359 HG2 -0.10 0.05 0.00 -0.04 2.63 2.54 2nz1X1 MET 359 HG3 -0.04 0.04 -0.02 -0.04 2.56 2.49 2nz1X1 MET 359 HE3 -0.68 0.02 -0.17 -0.04 2.10 1.23 2nz1X1 PRO 360 HA -0.13 0.13 0.45 -0.51 4.44 4.38 2nz1X1 PRO 360 HB2 -0.00 -0.04 -0.02 -0.04 2.28 2.18 2nz1X1 PRO 360 HB3 -0.03 0.01 0.09 -0.04 2.02 2.05 2nz1X1 PRO 360 HG2 -0.01 -0.04 0.03 -0.04 2.03 1.97 2nz1X1 PRO 360 HG3 -0.05 0.28 0.15 -0.04 2.03 2.37 2nz1X1 PRO 360 HD2 -0.02 0.11 -0.33 -0.04 3.68 3.39 2nz1X1 PRO 360 HD3 -0.03 0.18 0.01 -0.04 3.65 3.77 2nz1X1 ASN 361 H 0.02 0.25 -0.43 -0.55 8.53 7.82 2nz1X1 ASN 361 HA 0.21 0.14 0.81 -0.75 4.76 5.16 2nz1X1 ASN 361 HB2 0.12 0.06 0.03 -0.04 2.88 3.04 2nz1X1 ASN 361 HB3 0.26 -0.06 0.21 -0.04 2.79 3.15 2nz1X1 ASN 361 HD21 0.07 -0.00 -0.08 -0.04 7.03 6.98 2nz1X1 ASN 361 HD22 0.09 -0.04 -0.09 -0.04 7.74 7.66 2nz1X1 LEU 362 H -0.02 0.71 -0.09 -0.55 8.37 8.43 2nz1X1 LEU 362 HA 0.06 0.00 0.86 -0.75 4.35 4.52 2nz1X1 LEU 362 HB2 -0.10 0.05 -0.03 -0.04 1.64 1.51 2nz1X1 LEU 362 HB3 -0.22 0.06 0.13 -0.04 1.64 1.57 2nz1X1 LEU 362 HG 0.04 -0.04 -0.24 -0.04 1.64 1.35 2nz1X1 LEU 362 HD13 0.00 0.00 -0.04 -0.04 0.93 0.85 2nz1X1 LEU 362 HD23 -0.27 -0.02 -0.18 -0.04 0.89 0.38 2nz1X1 VAL 363 H 0.03 0.59 0.52 -0.55 8.24 8.83 2nz1X1 VAL 363 HA 0.21 0.12 0.70 -0.75 4.13 4.40 2nz1X1 VAL 363 HB -0.15 0.10 0.02 -0.04 2.12 2.04 2nz1X1 VAL 363 HG13 -0.09 -0.04 -0.10 -0.04 0.97 0.70 2nz1X1 VAL 363 HG23 -0.37 0.01 -0.11 -0.04 0.95 0.43 2nz1X1 GLY 364 H 0.12 0.41 0.38 -0.55 8.43 8.80 2nz1X1 GLY 364 HA2 0.22 0.07 0.54 -0.51 4.01 4.32 2nz1X1 GLY 364 HA3 0.11 0.06 0.54 -0.51 4.01 4.21 2nz1X1 VAL 365 H 0.04 0.58 0.43 -0.55 8.24 8.74 2nz1X1 VAL 365 HA 0.03 0.43 1.06 -0.75 4.13 4.91 2nz1X1 VAL 365 HB 0.04 -0.04 -0.03 -0.04 2.12 2.05 2nz1X1 VAL 365 HG13 0.13 -0.03 -0.22 -0.04 0.97 0.80 2nz1X1 VAL 365 HG23 0.09 -0.02 -0.11 -0.04 0.95 0.87 2nz1X1 SER 366 H -0.02 0.43 0.40 -0.55 8.46 8.72 2nz1X1 SER 366 HA 0.01 0.36 1.30 -0.75 4.49 5.41 2nz1X1 SER 366 HB2 -0.10 -0.17 0.09 -0.04 3.95 3.73 2nz1X1 SER 366 HB3 -0.06 0.03 0.02 -0.04 3.93 3.89 2nz1X1 LEU 367 H 0.07 0.57 0.36 -0.55 8.37 8.83 2nz1X1 LEU 367 HA 0.06 0.19 0.94 -0.75 4.35 4.78 2nz1X1 LEU 367 HB2 0.09 -0.03 -0.02 -0.04 1.64 1.64 2nz1X1 LEU 367 HB3 0.20 -0.03 0.18 -0.04 1.64 1.96 2nz1X1 LEU 367 HG 0.12 0.04 -0.30 -0.04 1.64 1.46 2nz1X1 LEU 367 HD13 0.04 0.01 -0.15 -0.04 0.93 0.79 2nz1X1 LEU 367 HD23 0.21 -0.01 -0.13 -0.04 0.89 0.91 2nz1X1 MET 368 H 0.11 0.80 0.37 -0.55 8.47 9.21 2nz1X1 MET 368 HA 0.05 0.31 1.06 -0.75 4.52 5.19 2nz1X1 MET 368 HB2 0.24 -0.05 0.07 -0.04 2.15 2.37 2nz1X1 MET 368 HB3 0.20 0.01 -0.04 -0.04 2.03 2.16 2nz1X1 MET 368 HG2 0.21 0.04 -0.08 -0.04 2.63 2.76 2nz1X1 MET 368 HG3 0.09 -0.05 -0.61 -0.04 2.56 1.95 2nz1X1 MET 368 HE3 -0.07 0.00 -0.25 -0.04 2.10 1.74 2nz1X1 LEU 369 H 0.04 0.76 0.29 -0.55 8.37 8.90 2nz1X1 LEU 369 HA 0.12 0.17 0.51 -0.75 4.35 4.39 2nz1X1 LEU 369 HB2 0.05 -0.05 0.08 -0.04 1.64 1.68 2nz1X1 LEU 369 HB3 0.05 0.00 -0.12 -0.04 1.64 1.54 2nz1X1 LEU 369 HG 0.02 0.15 -0.32 -0.04 1.64 1.45 2nz1X1 LEU 369 HD13 0.01 -0.02 -0.16 -0.04 0.93 0.71 2nz1X1 LEU 369 HD23 0.05 -0.00 -0.29 -0.04 0.89 0.60 2nz1X1 GLU 370 H 0.06 0.13 0.09 -0.55 8.60 8.33 2nz1X1 GLU 370 HA 0.02 0.15 0.47 -0.75 4.29 4.18 2nz1X1 GLU 370 HB2 0.05 -0.03 0.19 -0.04 2.09 2.25 2nz1X1 GLU 370 HB3 0.04 -0.04 0.17 -0.04 1.99 2.11 2nz1X1 GLU 370 HG2 0.03 -0.04 0.05 -0.04 2.34 2.34 2nz1X1 GLU 370 HG3 0.01 0.02 -0.14 -0.04 2.34 2.19 2nz1X1 GLY 371 H -0.01 0.77 0.47 -0.55 8.43 9.12 2nz1X1 GLY 371 HA2 -0.03 -0.19 0.54 -0.51 4.01 3.82 2nz1X1 GLY 371 HA3 -0.02 0.02 0.45 -0.51 4.01 3.95 2nz1X1 GLN 372 H -0.04 0.59 -0.27 -0.55 8.47 8.20 2nz1X1 GLN 372 HA -0.19 0.33 0.98 -0.75 4.36 4.74 2nz1X1 GLN 372 HB2 -0.05 -0.08 -0.08 -0.04 2.15 1.89 2nz1X1 GLN 372 HB3 -0.35 -0.05 -0.04 -0.04 2.02 1.54 2nz1X1 GLN 372 HG2 0.01 0.08 -0.00 -0.04 2.40 2.45 2nz1X1 GLN 372 HG3 -0.00 0.01 -0.40 -0.04 2.39 1.96 2nz1X1 GLN 372 HE21 0.06 0.23 -0.07 -0.04 6.97 7.15 2nz1X1 GLN 372 HE22 0.03 0.00 -0.05 -0.04 7.69 7.63 2nz1X1 GLN 373 H -0.51 0.52 0.31 -0.55 8.47 8.24 2nz1X1 GLN 373 HA -0.19 0.37 0.97 -0.75 4.36 4.75 2nz1X1 GLN 373 HB2 0.01 -0.02 -0.09 -0.04 2.15 2.02 2nz1X1 GLN 373 HB3 -0.06 -0.05 0.11 -0.04 2.02 1.99 2nz1X1 GLN 373 HG2 -0.02 -0.03 -0.29 -0.04 2.40 2.03 2nz1X1 GLN 373 HG3 0.02 0.05 -0.05 -0.04 2.39 2.37 2nz1X1 GLN 373 HE21 0.11 0.25 -0.09 -0.04 6.97 7.20 2nz1X1 GLN 373 HE22 0.00 -0.04 -0.24 -0.04 7.69 7.37 2nz1X1 TYR 374 H -0.06 0.57 0.30 -0.55 8.29 8.55 2nz1X1 TYR 374 HA -0.00 0.25 1.06 -0.75 4.56 5.11 2nz1X1 TYR 374 HB2 -0.00 -0.09 0.13 -0.04 3.06 3.06 2nz1X1 TYR 374 HB3 -0.02 0.01 -0.05 -0.04 2.98 2.88 2nz1X1 TYR 374 HD2 0.00 -0.01 -0.09 -0.04 7.15 7.02 2nz1X1 TYR 374 HE2 0.00 0.03 -0.14 -0.04 6.85 6.70 2nz1X1 ARG 375 H 0.07 0.73 0.35 -0.55 8.46 9.05 2nz1X1 ARG 375 HA -0.00 0.18 0.94 -0.75 4.34 4.70 2nz1X1 ARG 375 HB2 -0.02 0.08 0.00 -0.04 1.90 1.91 2nz1X1 ARG 375 HB3 0.00 -0.10 0.28 -0.04 1.80 1.94 2nz1X1 ARG 375 HG2 -0.01 -0.13 -0.24 -0.04 1.67 1.25 2nz1X1 ARG 375 HG3 -0.02 0.16 -0.05 -0.04 1.67 1.72 2nz1X1 ARG 375 HD2 -0.03 0.18 -0.53 -0.04 3.22 2.80 2nz1X1 ARG 375 HD3 0.01 -0.05 -0.15 -0.04 3.22 2.99 2nz1X1 LEU 376 H -0.02 0.71 0.43 -0.55 8.37 8.94 2nz1X1 LEU 376 HA -0.14 0.23 0.98 -0.75 4.35 4.66 2nz1X1 LEU 376 HB2 -0.07 0.11 0.29 -0.04 1.64 1.93 2nz1X1 LEU 376 HB3 -0.29 -0.02 0.05 -0.04 1.64 1.34 2nz1X1 LEU 376 HG -0.09 -0.00 -0.00 -0.04 1.64 1.50 2nz1X1 LEU 376 HD13 0.02 0.03 -0.34 -0.04 0.93 0.60 2nz1X1 LEU 376 HD23 0.00 -0.00 -0.03 -0.04 0.89 0.82 2nz1X1 GLU 377 H -0.28 0.65 0.50 -0.55 8.60 8.92 2nz1X1 GLU 377 HA -0.16 0.25 1.21 -0.75 4.29 4.84 2nz1X1 GLU 377 HB2 -0.43 -0.04 0.09 -0.04 2.09 1.66 2nz1X1 GLU 377 HB3 -0.79 -0.04 0.08 -0.04 1.99 1.20 2nz1X1 GLU 377 HG2 0.09 0.00 -0.11 -0.04 2.34 2.28 2nz1X1 GLU 377 HG3 -0.10 0.00 -0.45 -0.04 2.34 1.75 2nz1X1 TYR 378 H 0.15 0.78 0.31 -0.55 8.29 8.98 2nz1X1 TYR 378 HA 0.01 0.01 0.80 -0.75 4.56 4.63 2nz1X1 TYR 378 HB2 0.10 0.25 0.07 -0.04 3.06 3.43 2nz1X1 TYR 378 HB3 0.05 -0.02 0.13 -0.04 2.98 3.11 2nz1X1 TYR 378 HD2 0.01 0.02 -0.37 -0.04 7.15 6.77 2nz1X1 TYR 378 HE2 -0.01 -0.01 -0.15 -0.04 6.85 6.64 2nz1X1 PHE 379 H -0.26 0.07 -0.12 -0.55 8.34 7.47 2nz1X1 PHE 379 HA 0.18 0.22 0.89 -0.75 4.62 5.16 2nz1X1 PHE 379 HB2 0.11 -0.09 0.13 -0.04 3.15 3.26 2nz1X1 PHE 379 HB3 0.14 0.10 -0.03 -0.04 3.06 3.24 2nz1X1 PHE 379 HD2 0.06 0.04 -0.03 -0.04 7.28 7.31 2nz1X1 PHE 379 HE2 0.02 -0.00 -0.05 -0.04 7.38 7.30 2nz1X1 PHE 379 HZ 0.01 -0.01 -0.06 -0.04 7.32 7.23 2nz1X1 GLY 380 H 0.24 0.08 0.14 -0.55 8.43 8.34 2nz1X1 GLY 380 HA2 0.08 -0.00 0.37 -0.51 4.01 3.95 2nz1X1 GLY 380 HA3 -0.10 0.04 0.44 -0.51 4.01 3.87 2nz1X1 ASP 381 H -0.11 -0.01 0.21 -0.55 8.40 7.95 2nz1X1 ASP 381 HA -0.20 0.24 0.71 -0.75 4.63 4.63 2nz1X1 ASP 381 HB2 -0.42 0.03 0.01 -0.04 2.71 2.29 2nz1X1 ASP 381 HB3 -0.30 0.01 0.19 -0.04 2.70 2.56 2nz1X1 HIS 382 H -0.09 -0.03 0.08 -0.55 8.41 7.83 2nz1X1 HIS 382 HA -0.04 0.27 0.59 -0.75 4.63 4.71 2nz1X1 HIS 382 HB2 0.00 -0.04 0.03 -0.04 3.26 3.22 2nz1X1 HIS 382 HB3 -0.00 0.06 0.06 -0.04 3.20 3.28 2nz1X1 HIS 382 HD2 0.01 -0.04 -0.08 -0.04 6.97 6.81 2nz1X1 HIS 382 HE1 -0.01 -0.01 0.00 -0.04 7.75 7.69