============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 4 1.000 28.803 -16.132 -38.888 -99.200 -91.000 HIS 5 0.900 25.737 -9.358 -42.568 -99.200 -91.000 TYR 44 0.840 -2.493 -29.202 -34.828 -99.200 -91.000 HIS 50 0.900 11.994 -31.554 -38.099 -99.200 -91.000 PHE 61 1.000 8.044 -28.947 -20.909 -99.200 -91.000 PHE 76 1.000 3.112 -28.658 -25.721 -99.200 -91.000 PHE 89 1.000 10.834 -47.914 -19.510 -99.200 -91.000 HIS 105 0.900 4.361 -51.187 -30.097 -99.200 -91.000 PHE 117 1.000 1.109 -27.384 -30.774 -99.200 -91.000 TYR 124 0.840 -2.715 -17.341 -22.397 -99.200 -91.000 PHE 137 1.000 -7.234 -31.983 -44.863 -99.200 -91.000 PHE 144 1.000 6.555 -32.949 -46.671 -99.200 -91.000 TYR 157 0.840 19.803 -39.391 -36.590 -99.200 -91.000 HIS 165 0.900 8.078 -50.566 -35.351 -99.200 -91.000 PHE 172 1.000 7.179 -41.381 -42.052 -99.200 -91.000 TRP 173 1.040 12.426 -48.081 -45.916 -99.200 -91.000 TRP6 173 1.020 13.285 -46.494 -44.381 -99.200 -91.000 PHE 205 1.000 -3.500 -37.439 -29.790 -99.200 -91.000 TYR 206 0.840 -5.218 -35.647 -25.835 -99.200 -91.000 TYR 233 0.840 -1.457 -34.986 -21.623 -99.200 -91.000 TYR 245 0.840 24.130 -13.259 -16.801 -99.200 -91.000 TYR 248 0.840 20.372 -7.664 -20.635 -99.200 -91.000 TYR 251 0.840 10.095 -13.695 -17.101 -99.200 -91.000 HIS 262 0.900 19.417 -27.817 -13.072 -99.200 -91.000 PHE 273 1.000 33.239 -16.757 -11.671 -99.200 -91.000 TYR 278 0.840 37.076 -13.978 -17.092 -99.200 -91.000 PHE 280 1.000 32.082 -17.720 -28.700 -99.200 -91.000 TYR 295 0.840 30.348 -26.885 -8.473 -99.200 -91.000 TYR 297 0.840 23.889 -30.483 -17.308 -99.200 -91.000 TYR 303 0.840 18.744 -31.336 -4.475 -99.200 -91.000 PHE 309 1.000 3.121 -38.092 -10.195 -99.200 -91.000 TRP 314 1.040 10.191 -23.440 -6.940 -99.200 -91.000 TRP6 314 1.020 10.131 -21.074 -6.959 -99.200 -91.000 TYR 322 0.840 23.068 -24.156 -4.372 -99.200 -91.000 TYR 349 0.840 22.560 -21.375 0.261 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z8iA1 GLU 38 HA -0.00 -0.03 0.16 -0.75 4.29 3.66 2z8iA1 GLU 38 HB2 0.01 -0.03 0.02 -0.04 2.09 2.04 2z8iA1 GLU 38 HB3 -0.00 -0.02 -0.06 -0.04 1.99 1.87 2z8iA1 GLU 38 HG2 0.01 -0.00 0.03 -0.04 2.34 2.34 2z8iA1 GLU 38 HG3 0.01 -0.01 0.01 -0.04 2.34 2.31 2z8iA1 ASP 39 H 0.01 0.18 0.06 -0.55 8.40 8.11 2z8iA1 ASP 39 HA -0.09 0.08 0.74 -0.75 4.63 4.60 2z8iA1 ASP 39 HB2 -0.22 0.01 -0.01 -0.04 2.71 2.44 2z8iA1 ASP 39 HB3 -0.26 0.09 -0.02 -0.04 2.70 2.46 2z8iA1 VAL 40 H -0.20 0.07 0.20 -0.55 8.24 7.76 2z8iA1 VAL 40 HA -0.28 0.17 0.66 -0.75 4.13 3.93 2z8iA1 VAL 40 HB -0.43 -0.05 0.13 -0.04 2.12 1.73 2z8iA1 VAL 40 HG13 -0.85 -0.01 -0.07 -0.04 0.97 0.00 2z8iA1 VAL 40 HG23 -0.16 0.02 -0.02 -0.04 0.95 0.75 2z8iA1 PHE 41 H -0.19 0.02 0.09 -0.55 8.34 7.70 2z8iA1 PHE 41 HA -0.12 0.17 0.88 -0.75 4.62 4.79 2z8iA1 PHE 41 HB2 -0.11 -0.03 0.10 -0.04 3.15 3.07 2z8iA1 PHE 41 HB3 -0.07 0.03 -0.05 -0.04 3.06 2.93 2z8iA1 PHE 41 HD2 -0.07 0.01 -0.00 -0.04 7.28 7.18 2z8iA1 PHE 41 HE2 -0.05 0.01 -0.03 -0.04 7.38 7.27 2z8iA1 PHE 41 HZ -0.03 0.00 -0.04 -0.04 7.32 7.22 2z8iA1 HIS 42 H 0.12 0.19 0.09 -0.55 8.41 8.26 2z8iA1 HIS 42 HA 0.05 0.24 0.99 -0.75 4.63 5.16 2z8iA1 HIS 42 HB2 0.03 -0.05 0.05 -0.04 3.26 3.25 2z8iA1 HIS 42 HB3 0.02 0.11 -0.04 -0.04 3.20 3.24 2z8iA1 HIS 42 HD2 0.01 0.00 -0.07 -0.04 6.97 6.86 2z8iA1 HIS 42 HE1 -0.05 0.05 -0.09 -0.04 7.75 7.61 2z8iA1 PRO 43 HA 0.06 0.04 0.54 -0.51 4.44 4.56 2z8iA1 PRO 43 HB2 0.03 0.16 0.03 -0.04 2.28 2.47 2z8iA1 PRO 43 HB3 0.03 -0.02 0.06 -0.04 2.02 2.06 2z8iA1 PRO 43 HG2 0.06 0.03 -0.02 -0.04 2.03 2.06 2z8iA1 PRO 43 HG3 0.04 0.03 0.03 -0.04 2.03 2.09 2z8iA1 PRO 43 HD2 0.11 0.09 0.21 -0.04 3.68 4.05 2z8iA1 PRO 43 HD3 0.05 0.15 0.09 -0.04 3.65 3.91 2z8iA1 VAL 44 H 0.03 0.05 0.16 -0.55 8.24 7.93 2z8iA1 VAL 44 HA 0.03 0.09 0.57 -0.75 4.13 4.07 2z8iA1 VAL 44 HB 0.02 -0.04 0.07 -0.04 2.12 2.13 2z8iA1 VAL 44 HG13 0.01 0.01 -0.07 -0.04 0.97 0.87 2z8iA1 VAL 44 HG23 0.02 0.00 0.05 -0.04 0.95 0.98 2z8iA1 ARG 45 H 0.01 0.17 0.16 -0.55 8.46 8.25 2z8iA1 ARG 45 HA 0.02 0.22 0.98 -0.75 4.34 4.80 2z8iA1 ARG 45 HB2 0.01 -0.03 0.03 -0.04 1.90 1.87 2z8iA1 ARG 45 HB3 0.01 0.01 -0.03 -0.04 1.80 1.75 2z8iA1 ARG 45 HG2 0.03 0.05 -0.22 -0.04 1.67 1.49 2z8iA1 ARG 45 HG3 0.03 0.12 -0.32 -0.04 1.67 1.46 2z8iA1 ARG 45 HD2 0.03 0.02 -0.07 -0.04 3.22 3.16 2z8iA1 ARG 45 HD3 0.01 -0.03 -0.05 -0.04 3.22 3.11 2z8iA1 ALA 46 H 0.01 0.38 0.15 -0.55 8.40 8.39 2z8iA1 ALA 46 HA 0.01 0.09 0.61 -0.75 4.34 4.29 2z8iA1 ALA 46 HB3 0.01 -0.00 -0.06 -0.04 1.41 1.31 2z8iA1 LYS 47 H 0.00 0.09 0.15 -0.55 8.42 8.11 2z8iA1 LYS 47 HA 0.01 0.27 0.92 -0.75 4.32 4.76 2z8iA1 LYS 47 HB2 0.00 -0.02 0.07 -0.04 1.87 1.89 2z8iA1 LYS 47 HB3 0.00 0.05 0.08 -0.04 1.79 1.88 2z8iA1 LYS 47 HG2 0.01 0.06 -0.11 -0.04 1.46 1.37 2z8iA1 LYS 47 HG3 0.00 -0.05 -0.08 -0.04 1.46 1.30 2z8iA1 LYS 47 HD2 0.00 0.01 -0.03 -0.04 1.69 1.63 2z8iA1 LYS 47 HD3 0.00 -0.00 -0.01 -0.04 1.68 1.63 2z8iA1 LYS 47 HE2 0.00 0.01 0.01 -0.04 2.99 2.98 2z8iA1 LYS 47 HE3 0.00 0.01 -0.00 -0.04 2.99 2.97 2z8iA1 GLN 48 H 0.00 -0.04 0.03 -0.55 8.47 7.91 2z8iA1 GLN 48 HA 0.00 0.28 1.00 -0.75 4.36 4.89 2z8iA1 GLN 48 HB2 0.00 -0.11 0.18 -0.04 2.15 2.18 2z8iA1 GLN 48 HB3 0.00 0.06 0.01 -0.04 2.02 2.06 2z8iA1 GLN 48 HG2 0.00 0.09 -0.12 -0.04 2.40 2.33 2z8iA1 GLN 48 HG3 0.00 -0.13 -0.08 -0.04 2.39 2.14 2z8iA1 GLN 48 HE21 0.00 0.04 0.01 -0.04 6.97 6.97 2z8iA1 GLN 48 HE22 0.00 -0.06 0.02 -0.04 7.69 7.61 2z8iA1 GLY 49 H 0.00 0.09 0.14 -0.55 8.43 8.12 2z8iA1 GLY 49 HA2 0.00 0.25 0.87 -0.51 4.01 4.62 2z8iA1 GLY 49 HA3 -0.00 0.03 0.25 -0.51 4.01 3.78 2z8iA1 MET 50 H -0.00 0.28 0.13 -0.55 8.47 8.33 2z8iA1 MET 50 HA 0.00 0.09 0.58 -0.75 4.52 4.44 2z8iA1 MET 50 HB2 0.00 0.08 -0.36 -0.04 2.15 1.83 2z8iA1 MET 50 HB3 0.00 0.00 -0.12 -0.04 2.03 1.88 2z8iA1 MET 50 HG2 0.00 -0.03 -0.31 -0.04 2.63 2.25 2z8iA1 MET 50 HG3 0.00 -0.01 -0.02 -0.04 2.56 2.50 2z8iA1 MET 50 HE3 0.01 0.03 -0.27 -0.04 2.10 1.82 2z8iA1 VAL 51 H -0.00 0.27 0.10 -0.55 8.24 8.06 2z8iA1 VAL 51 HA -0.01 0.18 0.82 -0.75 4.13 4.37 2z8iA1 VAL 51 HB -0.01 0.01 0.02 -0.04 2.12 2.10 2z8iA1 VAL 51 HG13 -0.01 -0.01 -0.18 -0.04 0.97 0.72 2z8iA1 VAL 51 HG23 -0.01 -0.03 -0.34 -0.04 0.95 0.54 2z8iA1 ALA 52 H -0.01 0.28 0.09 -0.55 8.40 8.21 2z8iA1 ALA 52 HA -0.01 0.16 0.87 -0.75 4.34 4.60 2z8iA1 ALA 52 HB3 -0.00 0.02 0.01 -0.04 1.41 1.39 2z8iA1 SER 53 H -0.02 0.29 0.11 -0.55 8.46 8.29 2z8iA1 SER 53 HA -0.03 0.22 0.63 -0.75 4.49 4.55 2z8iA1 SER 53 HB2 -0.04 0.04 0.09 -0.04 3.95 3.99 2z8iA1 SER 53 HB3 -0.03 0.05 -0.31 -0.04 3.93 3.60 2z8iA1 VAL 54 H -0.10 0.19 0.11 -0.55 8.24 7.89 2z8iA1 VAL 54 HA -0.08 0.16 0.43 -0.75 4.13 3.88 2z8iA1 VAL 54 HB -0.15 0.04 0.11 -0.04 2.12 2.07 2z8iA1 VAL 54 HG13 -0.66 -0.01 -0.13 -0.04 0.97 0.13 2z8iA1 VAL 54 HG23 -0.12 0.01 0.09 -0.04 0.95 0.89 2z8iA1 ASP 55 H -0.10 0.06 -0.51 -0.55 8.40 7.30 2z8iA1 ASP 55 HA -0.06 0.20 0.94 -0.75 4.63 4.96 2z8iA1 ASP 55 HB2 -0.15 0.13 -0.22 -0.04 2.71 2.44 2z8iA1 ASP 55 HB3 -0.09 -0.07 0.00 -0.04 2.70 2.49 2z8iA1 ALA 56 H -0.02 0.23 0.13 -0.55 8.40 8.19 2z8iA1 ALA 56 HA -0.02 0.10 0.34 -0.75 4.34 4.01 2z8iA1 ALA 56 HB3 -0.00 0.04 0.11 -0.04 1.41 1.52 2z8iA1 THR 57 H -0.04 0.11 -0.11 -0.55 8.28 7.69 2z8iA1 THR 57 HA -0.03 0.12 0.37 -0.75 4.39 4.10 2z8iA1 THR 57 HB -0.14 -0.05 0.04 -0.04 4.32 4.13 2z8iA1 THR 57 HG23 -0.09 0.03 -0.13 -0.04 1.22 0.99 2z8iA1 ALA 58 H -0.07 0.07 -0.28 -0.55 8.40 7.57 2z8iA1 ALA 58 HA -0.04 0.08 0.36 -0.75 4.34 3.98 2z8iA1 ALA 58 HB3 -0.04 0.02 0.01 -0.04 1.41 1.36 2z8iA1 THR 59 H -0.03 0.54 -0.19 -0.55 8.28 8.05 2z8iA1 THR 59 HA -0.02 -0.00 0.32 -0.75 4.39 3.94 2z8iA1 THR 59 HB -0.02 0.13 0.12 -0.04 4.32 4.52 2z8iA1 THR 59 HG23 -0.01 0.01 -0.16 -0.04 1.22 1.01 2z8iA1 GLN 60 H -0.02 0.59 -0.11 -0.55 8.47 8.39 2z8iA1 GLN 60 HA -0.01 0.01 0.38 -0.75 4.36 3.99 2z8iA1 GLN 60 HB2 -0.01 0.12 0.13 -0.04 2.15 2.35 2z8iA1 GLN 60 HB3 -0.01 -0.02 0.04 -0.04 2.02 1.99 2z8iA1 GLN 60 HG2 -0.01 -0.04 0.02 -0.04 2.40 2.34 2z8iA1 GLN 60 HG3 -0.01 0.26 0.12 -0.04 2.39 2.72 2z8iA1 GLN 60 HE21 0.00 0.00 -0.02 -0.04 6.97 6.91 2z8iA1 GLN 60 HE22 -0.00 0.00 -0.01 -0.04 7.69 7.64 2z8iA1 VAL 61 H -0.02 0.43 -0.28 -0.55 8.24 7.81 2z8iA1 VAL 61 HA -0.01 0.03 0.40 -0.75 4.13 3.80 2z8iA1 VAL 61 HB -0.01 0.17 0.14 -0.04 2.12 2.38 2z8iA1 VAL 61 HG13 -0.00 -0.01 -0.21 -0.04 0.97 0.71 2z8iA1 VAL 61 HG23 -0.01 0.06 -0.03 -0.04 0.95 0.93 2z8iA1 GLY 62 H -0.02 0.52 -0.15 -0.55 8.43 8.23 2z8iA1 GLY 62 HA2 -0.02 0.00 0.39 -0.51 4.01 3.88 2z8iA1 GLY 62 HA3 -0.02 0.04 0.28 -0.51 4.01 3.80 2z8iA1 VAL 63 H -0.01 0.55 -0.18 -0.55 8.24 8.05 2z8iA1 VAL 63 HA -0.01 -0.01 0.37 -0.75 4.13 3.74 2z8iA1 VAL 63 HB -0.01 0.10 0.12 -0.04 2.12 2.29 2z8iA1 VAL 63 HG13 -0.00 -0.01 -0.12 -0.04 0.97 0.79 2z8iA1 VAL 63 HG23 -0.01 0.04 -0.03 -0.04 0.95 0.91 2z8iA1 ASP 64 H -0.01 0.62 -0.15 -0.55 8.40 8.32 2z8iA1 ASP 64 HA -0.00 0.01 0.40 -0.75 4.63 4.28 2z8iA1 ASP 64 HB2 -0.00 0.13 0.17 -0.04 2.71 2.96 2z8iA1 ASP 64 HB3 -0.00 -0.04 0.01 -0.04 2.70 2.63 2z8iA1 ILE 65 H -0.01 0.49 -0.21 -0.55 8.25 7.98 2z8iA1 ILE 65 HA -0.01 0.04 0.37 -0.75 4.18 3.83 2z8iA1 ILE 65 HB -0.01 0.12 0.12 -0.04 1.89 2.07 2z8iA1 ILE 65 HG12 -0.01 0.28 0.06 -0.04 1.49 1.78 2z8iA1 ILE 65 HG13 -0.02 -0.07 -0.02 -0.04 1.21 1.06 2z8iA1 ILE 65 HG23 -0.01 -0.02 -0.29 -0.04 0.93 0.57 2z8iA1 ILE 65 HD13 -0.01 -0.01 -0.04 -0.04 0.88 0.77 2z8iA1 LEU 66 H -0.01 0.47 -0.19 -0.55 8.37 8.09 2z8iA1 LEU 66 HA -0.00 0.19 0.37 -0.75 4.35 4.15 2z8iA1 LEU 66 HB2 -0.00 0.13 0.13 -0.04 1.64 1.86 2z8iA1 LEU 66 HB3 -0.00 -0.05 -0.03 -0.04 1.64 1.52 2z8iA1 LEU 66 HG -0.01 0.20 0.03 -0.04 1.64 1.82 2z8iA1 LEU 66 HD13 -0.00 -0.03 -0.12 -0.04 0.93 0.73 2z8iA1 LEU 66 HD23 -0.01 -0.00 -0.17 -0.04 0.89 0.66 2z8iA1 LYS 67 H -0.00 0.57 -0.15 -0.55 8.42 8.28 2z8iA1 LYS 67 HA -0.00 -0.00 0.39 -0.75 4.32 3.95 2z8iA1 LYS 67 HB2 -0.00 0.10 0.15 -0.04 1.87 2.08 2z8iA1 LYS 67 HB3 -0.00 -0.04 0.03 -0.04 1.79 1.74 2z8iA1 LYS 67 HG2 -0.00 -0.06 0.03 -0.04 1.46 1.39 2z8iA1 LYS 67 HG3 -0.00 0.15 0.03 -0.04 1.46 1.60 2z8iA1 LYS 67 HD2 -0.00 -0.01 -0.07 -0.04 1.69 1.56 2z8iA1 LYS 67 HD3 -0.00 -0.01 -0.01 -0.04 1.68 1.62 2z8iA1 LYS 67 HE2 -0.00 -0.02 -0.01 -0.04 2.99 2.92 2z8iA1 LYS 67 HE3 -0.00 -0.02 -0.06 -0.04 2.99 2.87 2z8iA1 GLU 68 H -0.00 0.39 -0.38 -0.55 8.60 8.05 2z8iA1 GLU 68 HA -0.00 0.05 0.52 -0.75 4.29 4.10 2z8iA1 GLU 68 HB2 -0.00 0.04 0.11 -0.04 2.09 2.19 2z8iA1 GLU 68 HB3 -0.00 -0.08 0.13 -0.04 1.99 2.00 2z8iA1 GLU 68 HG2 -0.00 -0.07 0.01 -0.04 2.34 2.24 2z8iA1 GLU 68 HG3 -0.00 0.44 0.09 -0.04 2.34 2.83 2z8iA1 GLY 69 H -0.00 0.48 -0.48 -0.55 8.43 7.89 2z8iA1 GLY 69 HA2 -0.00 0.01 0.28 -0.51 4.01 3.79 2z8iA1 GLY 69 HA3 -0.00 0.12 0.83 -0.51 4.01 4.45 2z8iA1 GLY 70 H -0.00 0.46 0.01 -0.55 8.43 8.35 2z8iA1 GLY 70 HA2 -0.00 -0.01 0.43 -0.51 4.01 3.92 2z8iA1 GLY 70 HA3 -0.01 -0.06 0.21 -0.51 4.01 3.65 2z8iA1 ASN 71 H 0.00 -0.06 0.18 -0.55 8.53 8.11 2z8iA1 ASN 71 HA 0.00 0.33 0.74 -0.75 4.76 5.07 2z8iA1 ASN 71 HB2 0.01 -0.07 0.25 -0.04 2.88 3.03 2z8iA1 ASN 71 HB3 0.01 0.17 0.12 -0.04 2.79 3.05 2z8iA1 ASN 71 HD21 0.04 0.33 0.19 -0.04 7.03 7.55 2z8iA1 ASN 71 HD22 0.03 0.07 0.05 -0.04 7.74 7.85 2z8iA1 ALA 72 H 0.00 0.23 0.18 -0.55 8.40 8.26 2z8iA1 ALA 72 HA -0.01 0.12 0.41 -0.75 4.34 4.11 2z8iA1 ALA 72 HB3 -0.01 0.04 0.13 -0.04 1.41 1.54 2z8iA1 VAL 73 H 0.01 0.16 -0.14 -0.55 8.24 7.72 2z8iA1 VAL 73 HA -0.00 0.10 0.37 -0.75 4.13 3.84 2z8iA1 VAL 73 HB 0.05 0.06 -0.11 -0.04 2.12 2.09 2z8iA1 VAL 73 HG13 0.06 0.03 -0.37 -0.04 0.97 0.65 2z8iA1 VAL 73 HG23 0.04 0.01 -0.08 -0.04 0.95 0.88 2z8iA1 ASP 74 H 0.00 0.05 -0.24 -0.55 8.40 7.67 2z8iA1 ASP 74 HA -0.02 0.07 0.37 -0.75 4.63 4.30 2z8iA1 ASP 74 HB2 -0.01 0.16 0.10 -0.04 2.71 2.92 2z8iA1 ASP 74 HB3 -0.02 0.08 -0.01 -0.04 2.70 2.72 2z8iA1 ALA 75 H -0.02 0.60 -0.20 -0.55 8.40 8.23 2z8iA1 ALA 75 HA -0.03 0.01 0.41 -0.75 4.34 3.98 2z8iA1 ALA 75 HB3 -0.02 0.03 0.04 -0.04 1.41 1.42 2z8iA1 ALA 76 H -0.04 0.63 -0.17 -0.55 8.40 8.27 2z8iA1 ALA 76 HA -0.06 -0.02 0.43 -0.75 4.34 3.94 2z8iA1 ALA 76 HB3 -0.04 0.02 0.10 -0.04 1.41 1.45 2z8iA1 VAL 77 H -0.14 0.60 -0.17 -0.55 8.24 7.97 2z8iA1 VAL 77 HA -0.91 0.01 0.46 -0.75 4.13 2.94 2z8iA1 VAL 77 HB -0.10 0.11 0.13 -0.04 2.12 2.21 2z8iA1 VAL 77 HG13 -0.03 -0.02 -0.13 -0.04 0.97 0.75 2z8iA1 VAL 77 HG23 -0.15 0.04 0.03 -0.04 0.95 0.82 2z8iA1 ALA 78 H -0.09 0.51 -0.11 -0.55 8.40 8.16 2z8iA1 ALA 78 HA 0.01 0.27 0.45 -0.75 4.34 4.32 2z8iA1 ALA 78 HB3 -0.02 0.00 0.11 -0.04 1.41 1.45 2z8iA1 VAL 79 H -0.07 0.64 -0.17 -0.55 8.24 8.09 2z8iA1 VAL 79 HA -0.02 -0.00 0.45 -0.75 4.13 3.80 2z8iA1 VAL 79 HB -0.05 0.16 0.15 -0.04 2.12 2.33 2z8iA1 VAL 79 HG13 -0.02 -0.04 -0.17 -0.04 0.97 0.70 2z8iA1 VAL 79 HG23 -0.03 0.09 0.04 -0.04 0.95 1.01 2z8iA1 GLY 80 H -0.21 0.55 -0.21 -0.55 8.43 8.01 2z8iA1 GLY 80 HA2 0.08 -0.04 0.38 -0.51 4.01 3.92 2z8iA1 GLY 80 HA3 -0.24 0.10 0.30 -0.51 4.01 3.65 2z8iA1 TYR 81 H 0.06 0.60 -0.18 -0.55 8.29 8.22 2z8iA1 TYR 81 HA 0.12 0.05 0.49 -0.75 4.56 4.47 2z8iA1 TYR 81 HB2 -0.02 0.22 0.15 -0.04 3.06 3.36 2z8iA1 TYR 81 HB3 0.04 -0.07 -0.01 -0.04 2.98 2.90 2z8iA1 TYR 81 HD2 -0.00 0.10 -0.07 -0.04 7.15 7.14 2z8iA1 TYR 81 HE2 0.09 -0.03 -0.09 -0.04 6.85 6.78 2z8iA1 ALA 82 H 0.09 0.56 -0.17 -0.55 8.40 8.32 2z8iA1 ALA 82 HA 0.06 0.03 0.39 -0.75 4.34 4.06 2z8iA1 ALA 82 HB3 0.00 0.01 0.08 -0.04 1.41 1.47 2z8iA1 LEU 83 H 0.04 0.82 -0.04 -0.55 8.37 8.64 2z8iA1 LEU 83 HA 0.03 -0.11 0.35 -0.75 4.35 3.87 2z8iA1 LEU 83 HB2 0.06 0.19 0.10 -0.04 1.64 1.96 2z8iA1 LEU 83 HB3 0.09 -0.06 0.04 -0.04 1.64 1.67 2z8iA1 LEU 83 HG -0.01 0.06 0.05 -0.04 1.64 1.71 2z8iA1 LEU 83 HD13 0.01 -0.00 -0.05 -0.04 0.93 0.85 2z8iA1 LEU 83 HD23 -0.07 -0.05 -0.02 -0.04 0.89 0.70 2z8iA1 ALA 84 H 0.08 0.37 -0.66 -0.55 8.40 7.64 2z8iA1 ALA 84 HA 0.07 0.03 -0.34 -0.75 4.34 3.34 2z8iA1 ALA 84 HB3 0.06 0.07 -0.12 -0.04 1.41 1.38 2z8iA1 VAL 85 H 0.08 0.38 -0.66 -0.55 8.24 7.49 2z8iA1 VAL 85 HA 0.16 0.15 0.75 -0.75 4.13 4.44 2z8iA1 VAL 85 HB 0.05 0.08 0.12 -0.04 2.12 2.33 2z8iA1 VAL 85 HG13 0.17 -0.03 -0.29 -0.04 0.97 0.78 2z8iA1 VAL 85 HG23 0.13 0.04 -0.14 -0.04 0.95 0.95 2z8iA1 THR 86 H -0.05 0.48 0.13 -0.55 8.28 8.29 2z8iA1 THR 86 HA -0.53 0.22 0.60 -0.75 4.39 3.93 2z8iA1 THR 86 HB -0.47 -0.09 0.07 -0.04 4.32 3.79 2z8iA1 THR 86 HG23 -0.57 0.03 -0.08 -0.04 1.22 0.56 2z8iA1 HIS 87 H 0.11 0.59 -0.27 -0.55 8.41 8.29 2z8iA1 HIS 87 HA 0.04 0.13 0.80 -0.75 4.63 4.85 2z8iA1 HIS 87 HB2 -0.01 -0.08 -0.12 -0.04 3.26 3.01 2z8iA1 HIS 87 HB3 0.01 0.01 0.23 -0.04 3.20 3.41 2z8iA1 HIS 87 HD2 0.02 0.05 0.03 -0.04 6.97 7.03 2z8iA1 HIS 87 HE1 -0.01 0.08 -0.03 -0.04 7.75 7.74 2z8iA1 PRO 88 HA 0.02 0.27 0.32 -0.51 4.44 4.55 2z8iA1 PRO 88 HB2 -0.18 0.02 -0.04 -0.04 2.28 2.04 2z8iA1 PRO 88 HB3 0.22 0.09 0.03 -0.04 2.02 2.31 2z8iA1 PRO 88 HG2 -0.05 -0.04 -0.06 -0.04 2.03 1.84 2z8iA1 PRO 88 HG3 0.27 0.08 -0.04 -0.04 2.03 2.31 2z8iA1 PRO 88 HD2 0.14 0.09 -0.21 -0.04 3.68 3.65 2z8iA1 PRO 88 HD3 0.23 0.34 -0.33 -0.04 3.65 3.85 2z8iA1 GLN 89 H -0.33 -0.05 -0.59 -0.55 8.47 6.96 2z8iA1 GLN 89 HA -0.19 0.08 0.34 -0.75 4.36 3.84 2z8iA1 GLN 89 HB2 -0.76 -0.08 -0.01 -0.04 2.15 1.26 2z8iA1 GLN 89 HB3 -0.24 0.03 -0.02 -0.04 2.02 1.75 2z8iA1 GLN 89 HG2 -0.12 -0.01 -0.00 -0.04 2.40 2.23 2z8iA1 GLN 89 HG3 -0.15 0.04 -0.03 -0.04 2.39 2.21 2z8iA1 GLN 89 HE21 0.12 -0.06 -0.07 -0.04 6.97 6.92 2z8iA1 GLN 89 HE22 0.03 0.05 -0.10 -0.04 7.69 7.63 2z8iA1 ALA 90 H -0.27 0.10 -0.09 -0.55 8.40 7.60 2z8iA1 ALA 90 HA -0.04 0.21 0.71 -0.75 4.34 4.45 2z8iA1 ALA 90 HB3 0.07 -0.03 -0.07 -0.04 1.41 1.34 2z8iA1 GLY 91 H 0.16 0.18 0.19 -0.55 8.43 8.41 2z8iA1 GLY 91 HA2 0.09 -0.03 0.40 -0.51 4.01 3.96 2z8iA1 GLY 91 HA3 0.12 0.01 -0.10 -0.51 4.01 3.54 2z8iA1 ASN 92 H 0.03 0.18 0.12 -0.55 8.53 8.31 2z8iA1 ASN 92 HA 0.02 0.20 0.68 -0.75 4.76 4.91 2z8iA1 ASN 92 HB2 -0.02 -0.27 -0.03 -0.04 2.88 2.52 2z8iA1 ASN 92 HB3 -0.01 0.35 -0.64 -0.04 2.79 2.44 2z8iA1 ASN 92 HD21 -0.02 -0.04 -0.04 -0.04 7.03 6.89 2z8iA1 ASN 92 HD22 -0.00 0.72 0.01 -0.04 7.74 8.43 2z8iA1 LEU 93 H -0.00 0.04 0.21 -0.55 8.37 8.08 2z8iA1 LEU 93 HA -0.23 0.12 0.74 -0.75 4.35 4.24 2z8iA1 LEU 93 HB2 0.09 0.05 0.02 -0.04 1.64 1.75 2z8iA1 LEU 93 HB3 0.02 -0.02 0.03 -0.04 1.64 1.63 2z8iA1 LEU 93 HG 0.07 0.05 -0.17 -0.04 1.64 1.55 2z8iA1 LEU 93 HD13 0.19 -0.00 -0.09 -0.04 0.93 0.98 2z8iA1 LEU 93 HD23 -0.14 0.04 -0.09 -0.04 0.89 0.66 2z8iA1 GLY 94 H 0.00 -0.07 0.14 -0.55 8.43 7.96 2z8iA1 GLY 94 HA2 0.11 0.20 0.71 -0.51 4.01 4.52 2z8iA1 GLY 94 HA3 0.04 0.07 0.36 -0.51 4.01 3.97 2z8iA1 GLY 95 H -0.08 -0.03 -0.49 -0.55 8.43 7.28 2z8iA1 GLY 95 HA2 -0.05 0.30 0.83 -0.51 4.01 4.58 2z8iA1 GLY 95 HA3 -0.06 0.08 0.31 -0.51 4.01 3.83 2z8iA1 GLY 96 H -0.08 0.38 0.20 -0.55 8.43 8.39 2z8iA1 GLY 96 HA2 0.01 -0.02 0.59 -0.51 4.01 4.07 2z8iA1 GLY 96 HA3 -0.13 0.05 0.41 -0.51 4.01 3.82 2z8iA1 GLY 97 H -0.75 0.52 -0.07 -0.55 8.43 7.58 2z8iA1 GLY 97 HA2 -0.62 0.08 0.33 -0.51 4.01 3.29 2z8iA1 GLY 97 HA3 -0.55 0.09 0.40 -0.51 4.01 3.44 2z8iA1 PHE 98 H -0.32 0.26 0.18 -0.55 8.34 7.91 2z8iA1 PHE 98 HA -0.52 0.33 1.02 -0.75 4.62 4.69 2z8iA1 PHE 98 HB2 -0.13 -0.04 0.01 -0.04 3.15 2.95 2z8iA1 PHE 98 HB3 -0.11 0.05 -0.01 -0.04 3.06 2.95 2z8iA1 PHE 98 HD2 -0.13 0.04 -0.04 -0.04 7.28 7.11 2z8iA1 PHE 98 HE2 -0.08 0.05 -0.08 -0.04 7.38 7.23 2z8iA1 PHE 98 HZ -0.06 0.08 -0.24 -0.04 7.32 7.05 2z8iA1 MET 99 H 0.22 0.51 0.32 -0.55 8.47 8.98 2z8iA1 MET 99 HA 0.19 0.17 0.92 -0.75 4.52 5.05 2z8iA1 MET 99 HB2 0.50 0.01 -0.15 -0.04 2.15 2.46 2z8iA1 MET 99 HB3 0.28 -0.04 0.05 -0.04 2.03 2.28 2z8iA1 MET 99 HG2 0.09 0.07 -0.34 -0.04 2.63 2.41 2z8iA1 MET 99 HG3 0.16 0.02 -0.01 -0.04 2.56 2.69 2z8iA1 MET 99 HE3 0.17 -0.00 -0.13 -0.04 2.10 2.09 2z8iA1 LEU 100 H 0.07 0.23 0.15 -0.55 8.37 8.28 2z8iA1 LEU 100 HA 0.01 0.27 0.96 -0.75 4.35 4.84 2z8iA1 LEU 100 HB2 0.02 -0.06 -0.06 -0.04 1.64 1.50 2z8iA1 LEU 100 HB3 0.02 -0.02 0.10 -0.04 1.64 1.70 2z8iA1 LEU 100 HG -0.03 0.01 -0.26 -0.04 1.64 1.32 2z8iA1 LEU 100 HD13 -0.00 0.05 -0.15 -0.04 0.93 0.78 2z8iA1 LEU 100 HD23 0.03 -0.02 -0.12 -0.04 0.89 0.74 2z8iA1 ILE 101 H -0.08 0.75 0.29 -0.55 8.25 8.67 2z8iA1 ILE 101 HA -0.07 0.14 0.97 -0.75 4.18 4.46 2z8iA1 ILE 101 HB -0.31 0.01 0.04 -0.04 1.89 1.59 2z8iA1 ILE 101 HG12 -0.14 -0.00 -0.15 -0.04 1.49 1.15 2z8iA1 ILE 101 HG13 -0.04 0.05 -0.32 -0.04 1.21 0.86 2z8iA1 ILE 101 HG23 -0.26 -0.01 -0.17 -0.04 0.93 0.45 2z8iA1 ILE 101 HD13 -0.02 -0.05 -0.40 -0.04 0.88 0.37 2z8iA1 ARG 102 H -0.08 0.20 0.09 -0.55 8.46 8.11 2z8iA1 ARG 102 HA -0.14 0.42 1.02 -0.75 4.34 4.89 2z8iA1 ARG 102 HB2 -0.13 -0.03 -0.11 -0.04 1.90 1.58 2z8iA1 ARG 102 HB3 -0.07 -0.05 0.08 -0.04 1.80 1.72 2z8iA1 ARG 102 HG2 -0.09 0.11 -0.25 -0.04 1.67 1.40 2z8iA1 ARG 102 HG3 -0.19 0.10 -0.24 -0.04 1.67 1.30 2z8iA1 ARG 102 HD2 -0.20 -0.02 -0.06 -0.04 3.22 2.90 2z8iA1 ARG 102 HD3 -0.07 -0.05 -0.05 -0.04 3.22 3.01 2z8iA1 SER 103 H -0.09 0.65 0.14 -0.55 8.46 8.61 2z8iA1 SER 103 HA -0.03 0.08 0.54 -0.75 4.49 4.33 2z8iA1 SER 103 HB2 -0.02 -0.13 0.10 -0.04 3.95 3.86 2z8iA1 SER 103 HB3 0.01 -0.05 0.16 -0.04 3.93 4.00 2z8iA1 LYS 104 H -0.01 0.16 0.21 -0.55 8.42 8.24 2z8iA1 LYS 104 HA -0.01 0.14 0.42 -0.75 4.32 4.12 2z8iA1 LYS 104 HB2 -0.00 0.06 0.12 -0.04 1.87 2.00 2z8iA1 LYS 104 HB3 -0.00 0.02 0.18 -0.04 1.79 1.94 2z8iA1 LYS 104 HG2 0.00 -0.13 0.17 -0.04 1.46 1.46 2z8iA1 LYS 104 HG3 0.00 0.05 -0.11 -0.04 1.46 1.37 2z8iA1 LYS 104 HD2 0.00 0.04 0.02 -0.04 1.69 1.71 2z8iA1 LYS 104 HD3 0.01 0.00 0.07 -0.04 1.68 1.72 2z8iA1 LYS 104 HE2 0.01 -0.03 0.05 -0.04 2.99 2.98 2z8iA1 LYS 104 HE3 0.01 0.01 0.01 -0.04 2.99 2.98 2z8iA1 ASN 105 H -0.01 -0.05 -0.45 -0.55 8.53 7.47 2z8iA1 ASN 105 HA -0.00 0.22 0.65 -0.75 4.76 4.88 2z8iA1 ASN 105 HB2 0.00 0.06 0.13 -0.04 2.88 3.03 2z8iA1 ASN 105 HB3 0.01 -0.02 0.04 -0.04 2.79 2.78 2z8iA1 ASN 105 HD21 0.02 0.01 -0.02 -0.04 7.03 7.00 2z8iA1 ASN 105 HD22 0.01 0.05 0.02 -0.04 7.74 7.77 2z8iA1 GLY 106 H -0.03 0.61 -0.43 -0.55 8.43 8.04 2z8iA1 GLY 106 HA2 -0.06 0.06 0.23 -0.51 4.01 3.73 2z8iA1 GLY 106 HA3 -0.03 0.16 0.59 -0.51 4.01 4.22 2z8iA1 ASN 107 H -0.03 -0.03 -0.36 -0.55 8.53 7.56 2z8iA1 ASN 107 HA -0.05 0.09 0.40 -0.75 4.76 4.44 2z8iA1 ASN 107 HB2 0.00 0.04 0.04 -0.04 2.88 2.92 2z8iA1 ASN 107 HB3 -0.01 -0.15 0.11 -0.04 2.79 2.69 2z8iA1 ASN 107 HD21 0.12 0.04 -0.09 -0.04 7.03 7.06 2z8iA1 ASN 107 HD22 0.12 -0.04 -0.05 -0.04 7.74 7.73 2z8iA1 THR 108 H -0.12 0.19 0.28 -0.55 8.28 8.08 2z8iA1 THR 108 HA -0.19 0.34 1.21 -0.75 4.39 4.99 2z8iA1 THR 108 HB -0.41 -0.03 0.14 -0.04 4.32 3.98 2z8iA1 THR 108 HG23 -0.37 -0.02 -0.10 -0.04 1.22 0.69 2z8iA1 THR 109 H -0.15 0.61 0.39 -0.55 8.28 8.58 2z8iA1 THR 109 HA -0.05 0.21 0.89 -0.75 4.39 4.69 2z8iA1 THR 109 HB -0.05 0.01 -0.23 -0.04 4.32 4.00 2z8iA1 THR 109 HG23 -0.25 -0.01 -0.18 -0.04 1.22 0.73 2z8iA1 ALA 110 H -0.01 0.54 0.33 -0.55 8.40 8.72 2z8iA1 ALA 110 HA 0.02 0.25 1.17 -0.75 4.34 5.03 2z8iA1 ALA 110 HB3 -0.00 0.02 -0.03 -0.04 1.41 1.36 2z8iA1 ILE 111 H 0.13 0.73 0.36 -0.55 8.25 8.92 2z8iA1 ILE 111 HA 0.14 0.22 1.05 -0.75 4.18 4.84 2z8iA1 ILE 111 HB 0.31 -0.13 0.13 -0.04 1.89 2.16 2z8iA1 ILE 111 HG12 0.10 0.01 -0.21 -0.04 1.49 1.36 2z8iA1 ILE 111 HG13 0.16 -0.02 -0.12 -0.04 1.21 1.18 2z8iA1 ILE 111 HG23 0.24 0.02 -0.24 -0.04 0.93 0.91 2z8iA1 ILE 111 HD13 0.15 0.05 -0.23 -0.04 0.88 0.80 2z8iA1 ASP 112 H 0.14 0.89 0.28 -0.55 8.40 9.17 2z8iA1 ASP 112 HA 0.14 0.06 0.86 -0.75 4.63 4.94 2z8iA1 ASP 112 HB2 0.23 0.03 0.08 -0.04 2.71 3.01 2z8iA1 ASP 112 HB3 0.11 0.25 0.32 -0.04 2.70 3.34 2z8iA1 PHE 113 H -0.62 0.63 0.27 -0.55 8.34 8.07 2z8iA1 PHE 113 HA 0.06 0.25 0.83 -0.75 4.62 5.01 2z8iA1 PHE 113 HB2 -0.07 0.08 -0.00 -0.04 3.15 3.11 2z8iA1 PHE 113 HB3 -0.02 -0.04 -0.06 -0.04 3.06 2.89 2z8iA1 PHE 113 HD2 -0.15 -0.07 -0.24 -0.04 7.28 6.77 2z8iA1 PHE 113 HE2 -0.14 0.01 -0.34 -0.04 7.38 6.87 2z8iA1 PHE 113 HZ -0.01 0.07 -0.26 -0.04 7.32 7.08 2z8iA1 ARG 114 H -0.20 0.11 -0.14 -0.55 8.46 7.67 2z8iA1 ARG 114 HA -0.37 -0.08 0.50 -0.75 4.34 3.64 2z8iA1 ARG 114 HB2 -0.53 -0.06 0.04 -0.04 1.90 1.31 2z8iA1 ARG 114 HB3 -0.05 0.04 0.03 -0.04 1.80 1.78 2z8iA1 ARG 114 HG2 0.06 -0.00 -0.04 -0.04 1.67 1.64 2z8iA1 ARG 114 HG3 -0.02 0.29 -0.12 -0.04 1.67 1.78 2z8iA1 ARG 114 HD2 -0.14 -0.12 0.03 -0.04 3.22 2.94 2z8iA1 ARG 114 HD3 -0.24 -0.07 -0.06 -0.04 3.22 2.81 2z8iA1 GLU 115 H -0.08 0.01 0.05 -0.55 8.60 8.04 2z8iA1 GLU 115 HA 0.01 0.24 0.30 -0.75 4.29 4.09 2z8iA1 GLU 115 HB2 -0.01 -0.06 -0.10 -0.04 2.09 1.89 2z8iA1 GLU 115 HB3 0.01 -0.02 -0.34 -0.04 1.99 1.61 2z8iA1 GLU 115 HG2 -0.04 0.15 -0.41 -0.04 2.34 2.00 2z8iA1 GLU 115 HG3 -0.09 -0.07 -0.25 -0.04 2.34 1.89 2z8iA1 MET 116 H 0.21 0.34 0.16 -0.55 8.47 8.63 2z8iA1 MET 116 HA 0.10 0.13 0.83 -0.75 4.52 4.82 2z8iA1 MET 116 HB2 0.32 -0.04 0.10 -0.04 2.15 2.49 2z8iA1 MET 116 HB3 0.14 0.10 -0.03 -0.04 2.03 2.20 2z8iA1 MET 116 HG2 0.09 -0.02 -0.00 -0.04 2.63 2.66 2z8iA1 MET 116 HG3 0.21 0.07 -0.11 -0.04 2.56 2.68 2z8iA1 MET 116 HE3 0.07 -0.00 -0.05 -0.04 2.10 2.08 2z8iA1 ALA 117 H 0.02 0.12 0.08 -0.55 8.40 8.07 2z8iA1 ALA 117 HA 0.05 0.08 0.44 -0.75 4.34 4.15 2z8iA1 ALA 117 HB3 -0.00 0.01 0.05 -0.04 1.41 1.43 2z8iA1 PRO 118 HA 0.06 0.03 0.44 -0.51 4.44 4.45 2z8iA1 PRO 118 HB2 0.02 -0.04 -0.05 -0.04 2.28 2.18 2z8iA1 PRO 118 HB3 0.04 0.03 -0.10 -0.04 2.02 1.94 2z8iA1 PRO 118 HG2 0.04 0.08 0.05 -0.04 2.03 2.16 2z8iA1 PRO 118 HG3 0.05 0.00 0.04 -0.04 2.03 2.08 2z8iA1 PRO 118 HD2 0.04 0.11 0.19 -0.04 3.68 3.97 2z8iA1 PRO 118 HD3 0.05 0.18 0.31 -0.04 3.65 4.15 2z8iA1 ALA 119 H 0.05 0.06 0.17 -0.55 8.40 8.14 2z8iA1 ALA 119 HA 0.05 0.17 0.41 -0.75 4.34 4.22 2z8iA1 ALA 119 HB3 0.04 0.00 0.09 -0.04 1.41 1.50 2z8iA1 LYS 120 H 0.02 -0.02 -0.31 -0.55 8.42 7.55 2z8iA1 LYS 120 HA 0.00 0.19 0.63 -0.75 4.32 4.39 2z8iA1 LYS 120 HB2 0.00 -0.02 0.02 -0.04 1.87 1.84 2z8iA1 LYS 120 HB3 -0.01 0.03 0.08 -0.04 1.79 1.85 2z8iA1 LYS 120 HG2 0.00 0.02 0.01 -0.04 1.46 1.45 2z8iA1 LYS 120 HG3 0.01 0.03 -0.08 -0.04 1.46 1.37 2z8iA1 LYS 120 HD2 0.01 -0.03 -0.02 -0.04 1.69 1.61 2z8iA1 LYS 120 HD3 0.02 -0.12 0.02 -0.04 1.68 1.56 2z8iA1 LYS 120 HE2 0.00 -0.00 0.01 -0.04 2.99 2.96 2z8iA1 LYS 120 HE3 0.01 -0.05 0.03 -0.04 2.99 2.93 2z8iA1 ALA 121 H 0.00 0.37 -0.54 -0.55 8.40 7.69 2z8iA1 ALA 121 HA -0.08 0.02 0.41 -0.75 4.34 3.94 2z8iA1 ALA 121 HB3 -0.03 0.01 -0.00 -0.04 1.41 1.35 2z8iA1 THR 122 H -0.13 0.17 0.19 -0.55 8.28 7.95 2z8iA1 THR 122 HA -0.03 0.24 0.83 -0.75 4.39 4.68 2z8iA1 THR 122 HB -0.04 -0.11 0.04 -0.04 4.32 4.17 2z8iA1 THR 122 HG23 -0.03 0.07 -0.18 -0.04 1.22 1.04 2z8iA1 ARG 123 H -0.02 0.20 0.12 -0.55 8.46 8.20 2z8iA1 ARG 123 HA -0.01 0.10 0.35 -0.75 4.34 4.02 2z8iA1 ARG 123 HB2 0.00 0.04 0.14 -0.04 1.90 2.04 2z8iA1 ARG 123 HB3 -0.00 -0.04 0.11 -0.04 1.80 1.82 2z8iA1 ARG 123 HG2 0.01 0.01 -0.18 -0.04 1.67 1.47 2z8iA1 ARG 123 HG3 0.01 0.03 0.04 -0.04 1.67 1.71 2z8iA1 ARG 123 HD2 0.01 0.03 -0.02 -0.04 3.22 3.21 2z8iA1 ARG 123 HD3 0.01 0.00 0.01 -0.04 3.22 3.21 2z8iA1 ASP 124 H -0.04 0.08 -0.22 -0.55 8.40 7.67 2z8iA1 ASP 124 HA -0.01 0.22 0.81 -0.75 4.63 4.91 2z8iA1 ASP 124 HB2 -0.02 0.01 0.02 -0.04 2.71 2.68 2z8iA1 ASP 124 HB3 -0.01 0.02 0.14 -0.04 2.70 2.81 2z8iA1 MET 125 H -0.18 0.55 -0.33 -0.55 8.47 7.97 2z8iA1 MET 125 HA -0.15 0.07 0.31 -0.75 4.52 3.99 2z8iA1 MET 125 HB2 -0.38 0.03 0.10 -0.04 2.15 1.87 2z8iA1 MET 125 HB3 -0.25 -0.13 0.17 -0.04 2.03 1.78 2z8iA1 MET 125 HG2 -0.57 0.18 0.06 -0.04 2.63 2.26 2z8iA1 MET 125 HG3 -1.90 0.01 -0.22 -0.04 2.56 0.41 2z8iA1 MET 125 HE3 -0.34 0.02 -0.01 -0.04 2.10 1.73 2z8iA1 PHE 126 H -0.09 0.10 -0.43 -0.55 8.34 7.37 2z8iA1 PHE 126 HA 0.01 0.22 0.82 -0.75 4.62 4.91 2z8iA1 PHE 126 HB2 0.00 0.03 -0.02 -0.04 3.15 3.13 2z8iA1 PHE 126 HB3 0.00 -0.11 0.09 -0.04 3.06 3.01 2z8iA1 PHE 126 HD2 0.00 -0.02 -0.16 -0.04 7.28 7.06 2z8iA1 PHE 126 HE2 0.00 0.04 -0.23 -0.04 7.38 7.15 2z8iA1 PHE 126 HZ -0.00 0.18 -0.05 -0.04 7.32 7.41 2z8iA1 LEU 127 H 0.03 0.49 -0.23 -0.55 8.37 8.12 2z8iA1 LEU 127 HA 0.06 0.07 0.40 -0.75 4.35 4.13 2z8iA1 LEU 127 HB2 0.02 0.11 0.01 -0.04 1.64 1.73 2z8iA1 LEU 127 HB3 0.03 -0.10 -0.17 -0.04 1.64 1.36 2z8iA1 LEU 127 HG 0.04 -0.08 -0.02 -0.04 1.64 1.54 2z8iA1 LEU 127 HD13 0.02 0.02 -0.02 -0.04 0.93 0.91 2z8iA1 LEU 127 HD23 0.05 0.01 -0.30 -0.04 0.89 0.62 2z8iA1 ASP 128 H 0.03 0.49 0.17 -0.55 8.40 8.54 2z8iA1 ASP 128 HA 0.03 0.22 0.67 -0.75 4.63 4.79 2z8iA1 ASP 128 HB2 0.02 -0.09 0.21 -0.04 2.71 2.80 2z8iA1 ASP 128 HB3 0.03 0.08 0.10 -0.04 2.70 2.87 2z8iA1 ASP 129 H 0.01 0.16 0.16 -0.55 8.40 8.18 2z8iA1 ASP 129 HA 0.01 0.14 0.32 -0.75 4.63 4.34 2z8iA1 ASP 129 HB2 0.01 -0.03 0.09 -0.04 2.71 2.73 2z8iA1 ASP 129 HB3 0.01 0.04 0.09 -0.04 2.70 2.80 2z8iA1 GLN 130 H 0.01 -0.05 -0.45 -0.55 8.47 7.43 2z8iA1 GLN 130 HA 0.01 0.20 0.67 -0.75 4.36 4.48 2z8iA1 GLN 130 HB2 0.01 -0.07 -0.01 -0.04 2.15 2.04 2z8iA1 GLN 130 HB3 0.01 0.05 0.08 -0.04 2.02 2.12 2z8iA1 GLN 130 HG2 0.01 -0.08 -0.02 -0.04 2.40 2.27 2z8iA1 GLN 130 HG3 0.01 0.03 -0.00 -0.04 2.39 2.38 2z8iA1 GLN 130 HE21 0.00 0.05 -0.12 -0.04 6.97 6.87 2z8iA1 GLN 130 HE22 0.01 -0.09 -0.14 -0.04 7.69 7.42 2z8iA1 GLY 131 H 0.01 0.47 -0.20 -0.55 8.43 8.17 2z8iA1 GLY 131 HA2 0.01 0.06 0.23 -0.51 4.01 3.80 2z8iA1 GLY 131 HA3 0.01 0.18 0.70 -0.51 4.01 4.39 2z8iA1 ASN 132 H 0.02 -0.07 -0.04 -0.55 8.53 7.89 2z8iA1 ASN 132 HA 0.02 0.29 0.91 -0.75 4.76 5.22 2z8iA1 ASN 132 HB2 0.01 -0.11 0.06 -0.04 2.88 2.80 2z8iA1 ASN 132 HB3 0.01 0.10 0.05 -0.04 2.79 2.91 2z8iA1 ASN 132 HD21 0.01 0.06 -0.10 -0.04 7.03 6.96 2z8iA1 ASN 132 HD22 0.01 -0.10 -0.06 -0.04 7.74 7.55 2z8iA1 PRO 133 HA 0.07 0.23 0.41 -0.51 4.44 4.64 2z8iA1 PRO 133 HB2 0.02 -0.04 0.02 -0.04 2.28 2.24 2z8iA1 PRO 133 HB3 0.04 0.04 -0.01 -0.04 2.02 2.05 2z8iA1 PRO 133 HG2 0.02 0.05 0.05 -0.04 2.03 2.12 2z8iA1 PRO 133 HG3 0.05 0.06 -0.01 -0.04 2.03 2.09 2z8iA1 PRO 133 HD2 0.02 0.07 0.21 -0.04 3.68 3.94 2z8iA1 PRO 133 HD3 0.02 0.28 0.24 -0.04 3.65 4.15 2z8iA1 ASP 134 H 0.08 0.74 0.29 -0.55 8.40 8.96 2z8iA1 ASP 134 HA 0.02 0.13 0.90 -0.75 4.63 4.92 2z8iA1 ASP 134 HB2 0.04 0.06 0.04 -0.04 2.71 2.81 2z8iA1 ASP 134 HB3 0.07 0.10 0.22 -0.04 2.70 3.05 2z8iA1 SER 135 H -0.01 0.27 0.05 -0.55 8.46 8.23 2z8iA1 SER 135 HA -0.08 0.09 0.34 -0.75 4.49 4.09 2z8iA1 SER 135 HB2 -0.04 0.06 0.03 -0.04 3.95 3.95 2z8iA1 SER 135 HB3 -0.04 0.06 0.06 -0.04 3.93 3.97 2z8iA1 LYS 136 H 0.00 0.07 -0.34 -0.55 8.42 7.60 2z8iA1 LYS 136 HA -0.01 0.12 0.46 -0.75 4.32 4.13 2z8iA1 LYS 136 HB2 0.01 0.05 0.07 -0.04 1.87 1.97 2z8iA1 LYS 136 HB3 0.02 -0.04 0.08 -0.04 1.79 1.80 2z8iA1 LYS 136 HG2 0.03 -0.01 -0.07 -0.04 1.46 1.37 2z8iA1 LYS 136 HG3 0.02 0.04 -0.03 -0.04 1.46 1.46 2z8iA1 LYS 136 HD2 0.04 -0.00 -0.07 -0.04 1.69 1.61 2z8iA1 LYS 136 HD3 0.05 0.11 -0.67 -0.04 1.68 1.12 2z8iA1 LYS 136 HE2 0.06 -0.02 -0.15 -0.04 2.99 2.83 2z8iA1 LYS 136 HE3 0.04 0.04 -0.06 -0.04 2.99 2.97 2z8iA1 LYS 137 H 0.04 0.25 -0.16 -0.55 8.42 8.00 2z8iA1 LYS 137 HA 0.10 -0.01 0.42 -0.75 4.32 4.08 2z8iA1 LYS 137 HB2 0.25 0.15 0.16 -0.04 1.87 2.38 2z8iA1 LYS 137 HB3 0.30 0.05 0.06 -0.04 1.79 2.15 2z8iA1 LYS 137 HG2 0.09 -0.03 0.04 -0.04 1.46 1.52 2z8iA1 LYS 137 HG3 0.08 -0.15 0.10 -0.04 1.46 1.45 2z8iA1 LYS 137 HD2 0.07 -0.09 -0.06 -0.04 1.69 1.57 2z8iA1 LYS 137 HD3 0.14 0.10 -0.05 -0.04 1.68 1.83 2z8iA1 LYS 137 HE2 0.06 0.17 -0.03 -0.04 2.99 3.14 2z8iA1 LYS 137 HE3 0.13 0.04 0.07 -0.04 2.99 3.19 2z8iA1 SER 138 H -0.16 0.19 -0.20 -0.55 8.46 7.75 2z8iA1 SER 138 HA -0.53 0.20 0.64 -0.75 4.49 4.05 2z8iA1 SER 138 HB2 -0.73 0.03 0.10 -0.04 3.95 3.31 2z8iA1 SER 138 HB3 -1.60 -0.03 -0.01 -0.04 3.93 2.25 2z8iA1 LEU 139 H -0.09 0.13 -0.29 -0.55 8.37 7.57 2z8iA1 LEU 139 HA -0.09 0.25 1.07 -0.75 4.35 4.83 2z8iA1 LEU 139 HB2 -0.05 0.10 0.09 -0.04 1.64 1.73 2z8iA1 LEU 139 HB3 -0.05 -0.04 0.02 -0.04 1.64 1.53 2z8iA1 LEU 139 HG -0.12 -0.08 -0.28 -0.04 1.64 1.12 2z8iA1 LEU 139 HD13 -0.05 -0.03 -0.04 -0.04 0.93 0.77 2z8iA1 LEU 139 HD23 -0.08 0.03 0.01 -0.04 0.89 0.81 2z8iA1 THR 140 H -0.02 0.47 0.26 -0.55 8.28 8.44 2z8iA1 THR 140 HA -0.02 0.29 1.14 -0.75 4.39 5.05 2z8iA1 THR 140 HB 0.04 0.00 0.14 -0.04 4.32 4.46 2z8iA1 THR 140 HG23 0.00 -0.01 -0.12 -0.04 1.22 1.05 2z8iA1 SER 141 H 0.03 0.18 0.14 -0.55 8.46 8.26 2z8iA1 SER 141 HA 0.11 0.21 0.78 -0.75 4.49 4.84 2z8iA1 SER 141 HB2 0.12 0.03 0.19 -0.04 3.95 4.24 2z8iA1 SER 141 HB3 0.08 0.01 0.08 -0.04 3.93 4.06 2z8iA1 HIS 142 H 0.30 0.25 0.16 -0.55 8.41 8.58 2z8iA1 HIS 142 HA -0.00 0.11 0.43 -0.75 4.63 4.42 2z8iA1 HIS 142 HB2 0.02 0.19 -0.02 -0.04 3.26 3.40 2z8iA1 HIS 142 HB3 0.01 -0.13 0.06 -0.04 3.20 3.10 2z8iA1 HIS 142 HD2 -0.02 -0.08 -0.14 -0.04 6.97 6.69 2z8iA1 HIS 142 HE1 0.07 -0.01 0.05 -0.04 7.75 7.80 2z8iA1 LEU 143 H 0.14 0.04 -0.39 -0.55 8.37 7.62 2z8iA1 LEU 143 HA 0.11 0.02 0.58 -0.75 4.35 4.31 2z8iA1 LEU 143 HB2 0.22 0.08 0.04 -0.04 1.64 1.95 2z8iA1 LEU 143 HB3 0.15 -0.01 0.06 -0.04 1.64 1.80 2z8iA1 LEU 143 HG 0.08 -0.02 0.03 -0.04 1.64 1.69 2z8iA1 LEU 143 HD13 0.03 -0.00 0.04 -0.04 0.93 0.96 2z8iA1 LEU 143 HD23 0.01 -0.01 0.01 -0.04 0.89 0.87 2z8iA1 ALA 144 H 0.08 0.38 -0.46 -0.55 8.40 7.85 2z8iA1 ALA 144 HA 0.08 0.06 0.42 -0.75 4.34 4.16 2z8iA1 ALA 144 HB3 -0.04 0.03 -0.30 -0.04 1.41 1.07 2z8iA1 SER 145 H 0.05 0.15 -0.47 -0.55 8.46 7.65 2z8iA1 SER 145 HA 0.00 0.13 0.72 -0.75 4.49 4.59 2z8iA1 SER 145 HB2 0.02 -0.04 0.03 -0.04 3.95 3.91 2z8iA1 SER 145 HB3 -0.00 0.08 0.01 -0.04 3.93 3.97 2z8iA1 GLY 146 H 0.01 0.14 0.13 -0.55 8.43 8.16 2z8iA1 GLY 146 HA2 0.05 0.16 0.75 -0.51 4.01 4.46 2z8iA1 GLY 146 HA3 0.03 -0.02 0.09 -0.51 4.01 3.60 2z8iA1 THR 147 H 0.07 0.66 0.15 -0.55 8.28 8.61 2z8iA1 THR 147 HA 0.05 0.05 0.40 -0.75 4.39 4.14 2z8iA1 THR 147 HB 0.18 -0.08 0.12 -0.04 4.32 4.50 2z8iA1 THR 147 HG23 0.17 0.06 -0.18 -0.04 1.22 1.23 2z8iA1 PRO 148 HA -0.12 0.07 0.33 -0.51 4.44 4.21 2z8iA1 PRO 148 HB2 0.17 -0.06 0.06 -0.04 2.28 2.41 2z8iA1 PRO 148 HB3 -0.03 -0.02 0.02 -0.04 2.02 1.95 2z8iA1 PRO 148 HG2 0.18 -0.04 0.09 -0.04 2.03 2.22 2z8iA1 PRO 148 HG3 0.04 0.25 0.05 -0.04 2.03 2.33 2z8iA1 PRO 148 HD2 0.12 0.03 0.17 -0.04 3.68 3.95 2z8iA1 PRO 148 HD3 0.04 0.20 0.28 -0.04 3.65 4.13 2z8iA1 GLY 149 H -0.20 0.41 0.29 -0.55 8.43 8.38 2z8iA1 GLY 149 HA2 -0.71 0.19 0.82 -0.51 4.01 3.80 2z8iA1 GLY 149 HA3 -0.21 0.17 0.14 -0.51 4.01 3.60 2z8iA1 THR 150 H -0.21 0.37 0.06 -0.55 8.28 7.96 2z8iA1 THR 150 HA -0.65 0.01 0.27 -0.75 4.39 3.26 2z8iA1 THR 150 HB -0.41 0.02 -0.05 -0.04 4.32 3.85 2z8iA1 THR 150 HG23 -0.93 0.08 -0.15 -0.04 1.22 0.18 2z8iA1 VAL 151 H -0.56 0.24 -0.16 -0.55 8.24 7.20 2z8iA1 VAL 151 HA -0.22 0.05 0.36 -0.75 4.13 3.57 2z8iA1 VAL 151 HB -0.61 0.07 0.03 -0.04 2.12 1.57 2z8iA1 VAL 151 HG13 0.11 -0.00 -0.08 -0.04 0.97 0.95 2z8iA1 VAL 151 HG23 -0.44 0.02 0.02 -0.04 0.95 0.51 2z8iA1 ALA 152 H 0.06 0.20 -0.31 -0.55 8.40 7.81 2z8iA1 ALA 152 HA 0.04 0.02 0.36 -0.75 4.34 4.00 2z8iA1 ALA 152 HB3 -0.04 0.05 0.02 -0.04 1.41 1.40 2z8iA1 GLY 153 H -0.25 0.65 -0.10 -0.55 8.43 8.18 2z8iA1 GLY 153 HA2 -0.04 0.01 0.35 -0.51 4.01 3.82 2z8iA1 GLY 153 HA3 -0.71 0.05 0.20 -0.51 4.01 3.04 2z8iA1 PHE 154 H -0.45 0.68 -0.10 -0.55 8.34 7.92 2z8iA1 PHE 154 HA -0.18 0.00 0.36 -0.75 4.62 4.06 2z8iA1 PHE 154 HB2 -0.13 0.11 0.11 -0.04 3.15 3.19 2z8iA1 PHE 154 HB3 0.02 -0.06 -0.02 -0.04 3.06 2.96 2z8iA1 PHE 154 HD2 -0.51 -0.03 -0.14 -0.04 7.28 6.56 2z8iA1 PHE 154 HE2 -0.22 0.02 -0.18 -0.04 7.38 6.96 2z8iA1 PHE 154 HZ -0.07 -0.01 -0.02 -0.04 7.32 7.18 2z8iA1 SER 155 H 0.08 0.54 -0.19 -0.55 8.46 8.34 2z8iA1 SER 155 HA 0.09 -0.01 0.48 -0.75 4.49 4.29 2z8iA1 SER 155 HB2 0.07 0.15 0.16 -0.04 3.95 4.30 2z8iA1 SER 155 HB3 0.06 -0.00 0.01 -0.04 3.93 3.95 2z8iA1 LEU 156 H 0.04 0.57 -0.12 -0.55 8.37 8.30 2z8iA1 LEU 156 HA 0.03 0.04 0.38 -0.75 4.35 4.05 2z8iA1 LEU 156 HB2 0.03 0.09 0.11 -0.04 1.64 1.83 2z8iA1 LEU 156 HB3 0.07 0.04 0.08 -0.04 1.64 1.78 2z8iA1 LEU 156 HG 0.03 0.00 0.01 -0.04 1.64 1.65 2z8iA1 LEU 156 HD13 0.05 -0.01 -0.17 -0.04 0.93 0.75 2z8iA1 LEU 156 HD23 0.11 -0.02 -0.30 -0.04 0.89 0.64 2z8iA1 ALA 157 H 0.09 0.52 -0.26 -0.55 8.40 8.20 2z8iA1 ALA 157 HA 0.25 0.04 0.38 -0.75 4.34 4.25 2z8iA1 ALA 157 HB3 0.14 0.01 0.01 -0.04 1.41 1.52 2z8iA1 LEU 158 H 0.08 0.69 -0.06 -0.55 8.37 8.54 2z8iA1 LEU 158 HA 0.05 -0.11 0.34 -0.75 4.35 3.88 2z8iA1 LEU 158 HB2 0.05 0.07 0.09 -0.04 1.64 1.81 2z8iA1 LEU 158 HB3 0.05 0.03 0.12 -0.04 1.64 1.79 2z8iA1 LEU 158 HG 0.01 0.11 -0.19 -0.04 1.64 1.54 2z8iA1 LEU 158 HD13 -0.00 -0.05 -0.03 -0.04 0.93 0.81 2z8iA1 LEU 158 HD23 0.01 -0.01 -0.19 -0.04 0.89 0.66 2z8iA1 ASP 159 H 0.03 0.67 -0.15 -0.55 8.40 8.41 2z8iA1 ASP 159 HA -0.00 0.03 0.35 -0.75 4.63 4.25 2z8iA1 ASP 159 HB2 -0.00 0.09 0.09 -0.04 2.71 2.85 2z8iA1 ASP 159 HB3 -0.01 -0.04 0.01 -0.04 2.70 2.62 2z8iA1 LYS 160 H -0.03 0.30 -0.24 -0.55 8.42 7.90 2z8iA1 LYS 160 HA -0.18 0.18 0.81 -0.75 4.32 4.38 2z8iA1 LYS 160 HB2 -0.17 -0.02 0.05 -0.04 1.87 1.70 2z8iA1 LYS 160 HB3 -0.28 0.04 0.10 -0.04 1.79 1.61 2z8iA1 LYS 160 HG2 -1.30 -0.02 -0.19 -0.04 1.46 -0.08 2z8iA1 LYS 160 HG3 -0.37 -0.01 0.05 -0.04 1.46 1.09 2z8iA1 LYS 160 HD2 -0.15 0.00 -0.02 -0.04 1.69 1.49 2z8iA1 LYS 160 HD3 -0.26 -0.03 -0.06 -0.04 1.68 1.29 2z8iA1 LYS 160 HE2 -0.23 -0.02 -0.05 -0.04 2.99 2.64 2z8iA1 LYS 160 HE3 -0.16 0.00 -0.01 -0.04 2.99 2.78 2z8iA1 TYR 161 H 0.06 0.57 0.07 -0.55 8.29 8.44 2z8iA1 TYR 161 HA 0.00 0.24 1.00 -0.75 4.56 5.04 2z8iA1 TYR 161 HB2 0.01 0.06 0.04 -0.04 3.06 3.13 2z8iA1 TYR 161 HB3 0.01 -0.14 0.09 -0.04 2.98 2.90 2z8iA1 TYR 161 HD2 0.01 -0.00 -0.02 -0.04 7.15 7.10 2z8iA1 TYR 161 HE2 0.01 -0.01 -0.10 -0.04 6.85 6.71 2z8iA1 GLY 162 H 0.05 0.39 -0.03 -0.55 8.43 8.29 2z8iA1 GLY 162 HA2 0.05 -0.10 0.73 -0.51 4.01 4.17 2z8iA1 GLY 162 HA3 0.03 -0.02 0.37 -0.51 4.01 3.88 2z8iA1 THR 163 H 0.01 -0.22 0.24 -0.55 8.28 7.76 2z8iA1 THR 163 HA 0.00 0.32 0.88 -0.75 4.39 4.84 2z8iA1 THR 163 HB 0.00 0.05 0.09 -0.04 4.32 4.43 2z8iA1 THR 163 HG23 0.01 0.01 -0.15 -0.04 1.22 1.04 2z8iA1 MET 164 H -0.00 -0.20 0.18 -0.55 8.47 7.89 2z8iA1 MET 164 HA -0.01 0.27 0.78 -0.75 4.52 4.81 2z8iA1 MET 164 HB2 -0.01 -0.08 0.03 -0.04 2.15 2.04 2z8iA1 MET 164 HB3 -0.02 0.08 0.06 -0.04 2.03 2.10 2z8iA1 MET 164 HG2 -0.01 0.14 -0.08 -0.04 2.63 2.64 2z8iA1 MET 164 HG3 -0.01 -0.19 0.00 -0.04 2.56 2.32 2z8iA1 MET 164 HE3 -0.01 0.04 -0.12 -0.04 2.10 1.98 2z8iA1 PRO 165 HA -0.01 0.16 0.51 -0.51 4.44 4.59 2z8iA1 PRO 165 HB2 -0.02 -0.04 0.07 -0.04 2.28 2.25 2z8iA1 PRO 165 HB3 -0.02 0.14 0.11 -0.04 2.02 2.21 2z8iA1 PRO 165 HG2 -0.03 -0.24 0.09 -0.04 2.03 1.81 2z8iA1 PRO 165 HG3 -0.02 0.13 0.09 -0.04 2.03 2.19 2z8iA1 PRO 165 HD2 -0.02 0.07 0.24 -0.04 3.68 3.93 2z8iA1 PRO 165 HD3 -0.01 0.26 0.20 -0.04 3.65 4.06 2z8iA1 LEU 166 H -0.02 0.22 0.14 -0.55 8.37 8.17 2z8iA1 LEU 166 HA -0.05 0.06 0.30 -0.75 4.35 3.91 2z8iA1 LEU 166 HB2 -0.00 0.04 0.12 -0.04 1.64 1.75 2z8iA1 LEU 166 HB3 -0.03 0.08 0.11 -0.04 1.64 1.76 2z8iA1 LEU 166 HG -0.13 -0.02 -0.26 -0.04 1.64 1.19 2z8iA1 LEU 166 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.81 2z8iA1 LEU 166 HD23 0.03 0.03 -0.08 -0.04 0.89 0.83 2z8iA1 ASN 167 H -0.05 0.15 -0.15 -0.55 8.53 7.94 2z8iA1 ASN 167 HA -0.11 0.02 0.39 -0.75 4.76 4.31 2z8iA1 ASN 167 HB2 -0.07 0.00 -0.01 -0.04 2.88 2.76 2z8iA1 ASN 167 HB3 -0.07 0.29 0.10 -0.04 2.79 3.07 2z8iA1 ASN 167 HD21 -0.03 0.02 0.02 -0.04 7.03 6.99 2z8iA1 ASN 167 HD22 -0.04 0.13 0.05 -0.04 7.74 7.85 2z8iA1 LYS 168 H -0.05 0.23 -0.32 -0.55 8.42 7.72 2z8iA1 LYS 168 HA -0.03 0.07 0.44 -0.75 4.32 4.05 2z8iA1 LYS 168 HB2 -0.02 -0.01 0.08 -0.04 1.87 1.87 2z8iA1 LYS 168 HB3 -0.03 0.15 0.09 -0.04 1.79 1.96 2z8iA1 LYS 168 HG2 -0.02 -0.00 -0.04 -0.04 1.46 1.36 2z8iA1 LYS 168 HG3 -0.02 -0.01 -0.27 -0.04 1.46 1.12 2z8iA1 LYS 168 HD2 -0.01 0.01 -0.00 -0.04 1.69 1.65 2z8iA1 LYS 168 HD3 -0.01 -0.03 0.06 -0.04 1.68 1.66 2z8iA1 LYS 168 HE2 -0.01 0.04 -0.00 -0.04 2.99 2.98 2z8iA1 LYS 168 HE3 -0.01 0.01 0.00 -0.04 2.99 2.95 2z8iA1 VAL 169 H -0.07 0.34 -0.18 -0.55 8.24 7.78 2z8iA1 VAL 169 HA -0.04 0.13 0.63 -0.75 4.13 4.10 2z8iA1 VAL 169 HB -0.04 -0.07 -0.02 -0.04 2.12 1.95 2z8iA1 VAL 169 HG13 -0.03 -0.01 -0.05 -0.04 0.97 0.84 2z8iA1 VAL 169 HG23 -0.08 0.04 -0.08 -0.04 0.95 0.79 2z8iA1 VAL 170 H -0.15 0.35 -0.28 -0.55 8.24 7.61 2z8iA1 VAL 170 HA -0.28 0.08 0.63 -0.75 4.13 3.81 2z8iA1 VAL 170 HB -0.22 0.09 0.05 -0.04 2.12 1.99 2z8iA1 VAL 170 HG13 -0.18 -0.01 -0.12 -0.04 0.97 0.63 2z8iA1 VAL 170 HG23 -0.95 0.01 -0.11 -0.04 0.95 -0.13 2z8iA1 GLN 171 H -0.05 0.37 -0.16 -0.55 8.47 8.09 2z8iA1 GLN 171 HA 0.10 -0.03 0.30 -0.75 4.36 3.98 2z8iA1 GLN 171 HB2 -0.00 0.14 0.15 -0.04 2.15 2.40 2z8iA1 GLN 171 HB3 0.01 0.14 0.09 -0.04 2.02 2.23 2z8iA1 GLN 171 HG2 0.04 0.02 -0.04 -0.04 2.40 2.39 2z8iA1 GLN 171 HG3 0.08 -0.04 -0.25 -0.04 2.39 2.13 2z8iA1 GLN 171 HE21 -0.03 -0.01 -0.02 -0.04 6.97 6.86 2z8iA1 GLN 171 HE22 0.00 0.06 0.04 -0.04 7.69 7.75 2z8iA1 PRO 172 HA 0.04 0.05 0.42 -0.51 4.44 4.44 2z8iA1 PRO 172 HB2 0.02 0.03 -0.03 -0.04 2.28 2.26 2z8iA1 PRO 172 HB3 0.01 0.00 0.02 -0.04 2.02 2.02 2z8iA1 PRO 172 HG2 0.00 0.06 0.00 -0.04 2.03 2.05 2z8iA1 PRO 172 HG3 0.01 0.03 0.01 -0.04 2.03 2.04 2z8iA1 PRO 172 HD2 -0.00 0.20 -0.44 -0.04 3.68 3.40 2z8iA1 PRO 172 HD3 0.01 0.25 -0.00 -0.04 3.65 3.86 2z8iA1 ALA 173 H 0.06 0.29 -0.32 -0.55 8.40 7.89 2z8iA1 ALA 173 HA 0.07 -0.01 0.35 -0.75 4.34 3.99 2z8iA1 ALA 173 HB3 0.15 0.05 -0.18 -0.04 1.41 1.39 2z8iA1 PHE 174 H 0.19 0.56 -0.16 -0.55 8.34 8.38 2z8iA1 PHE 174 HA 0.04 -0.02 0.34 -0.75 4.62 4.22 2z8iA1 PHE 174 HB2 -0.01 -0.03 -0.07 -0.04 3.15 3.00 2z8iA1 PHE 174 HB3 -0.01 0.15 0.11 -0.04 3.06 3.28 2z8iA1 PHE 174 HD2 0.01 0.04 -0.00 -0.04 7.28 7.28 2z8iA1 PHE 174 HE2 0.01 0.01 -0.10 -0.04 7.38 7.26 2z8iA1 PHE 174 HZ 0.01 0.00 -0.06 -0.04 7.32 7.23 2z8iA1 LYS 175 H 0.06 0.59 -0.15 -0.55 8.42 8.36 2z8iA1 LYS 175 HA -0.34 -0.00 0.43 -0.75 4.32 3.66 2z8iA1 LYS 175 HB2 0.00 0.12 0.11 -0.04 1.87 2.07 2z8iA1 LYS 175 HB3 -0.03 -0.02 -0.01 -0.04 1.79 1.68 2z8iA1 LYS 175 HG2 0.02 -0.04 0.01 -0.04 1.46 1.40 2z8iA1 LYS 175 HG3 0.11 0.13 0.02 -0.04 1.46 1.68 2z8iA1 LYS 175 HD2 0.03 -0.00 -0.04 -0.04 1.69 1.64 2z8iA1 LYS 175 HD3 0.02 -0.01 -0.03 -0.04 1.68 1.62 2z8iA1 LYS 175 HE2 0.04 -0.01 -0.04 -0.04 2.99 2.94 2z8iA1 LYS 175 HE3 0.06 -0.01 -0.03 -0.04 2.99 2.96 2z8iA1 LEU 176 H -0.00 0.48 -0.18 -0.55 8.37 8.12 2z8iA1 LEU 176 HA 0.07 0.10 0.33 -0.75 4.35 4.09 2z8iA1 LEU 176 HB2 0.03 0.12 0.12 -0.04 1.64 1.88 2z8iA1 LEU 176 HB3 0.06 -0.05 -0.09 -0.04 1.64 1.52 2z8iA1 LEU 176 HG 0.01 0.13 0.03 -0.04 1.64 1.76 2z8iA1 LEU 176 HD13 -0.06 -0.04 -0.12 -0.04 0.93 0.67 2z8iA1 LEU 176 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 2z8iA1 ALA 177 H -0.01 0.50 -0.25 -0.55 8.40 8.10 2z8iA1 ALA 177 HA 0.09 0.04 0.50 -0.75 4.34 4.21 2z8iA1 ALA 177 HB3 0.04 0.03 0.04 -0.04 1.41 1.48 2z8iA1 ARG 178 H -0.28 0.56 -0.05 -0.55 8.46 8.15 2z8iA1 ARG 178 HA -0.13 -0.03 0.39 -0.75 4.34 3.81 2z8iA1 ARG 178 HB2 -0.73 -0.01 0.10 -0.04 1.90 1.21 2z8iA1 ARG 178 HB3 -0.45 0.02 0.16 -0.04 1.80 1.49 2z8iA1 ARG 178 HG2 -0.13 0.03 -0.21 -0.04 1.67 1.32 2z8iA1 ARG 178 HG3 -0.13 -0.06 -0.00 -0.04 1.67 1.44 2z8iA1 ARG 178 HD2 -0.04 -0.03 -0.05 -0.04 3.22 3.06 2z8iA1 ARG 178 HD3 -0.27 -0.03 -0.05 -0.04 3.22 2.84 2z8iA1 ASP 179 H -0.11 0.77 0.07 -0.55 8.40 8.58 2z8iA1 ASP 179 HA -0.05 0.07 0.67 -0.75 4.63 4.56 2z8iA1 ASP 179 HB2 -0.03 0.12 0.04 -0.04 2.71 2.81 2z8iA1 ASP 179 HB3 -0.02 -0.06 0.07 -0.04 2.70 2.65 2z8iA1 GLY 180 H 0.01 0.21 -0.33 -0.55 8.43 7.77 2z8iA1 GLY 180 HA2 0.01 0.26 0.48 -0.51 4.01 4.24 2z8iA1 GLY 180 HA3 -0.06 -0.01 0.33 -0.51 4.01 3.76 2z8iA1 PHE 181 H -0.39 0.38 0.27 -0.55 8.34 8.05 2z8iA1 PHE 181 HA 0.00 0.11 0.64 -0.75 4.62 4.62 2z8iA1 PHE 181 HB2 0.02 -0.09 0.11 -0.04 3.15 3.15 2z8iA1 PHE 181 HB3 0.01 0.08 -0.13 -0.04 3.06 2.98 2z8iA1 PHE 181 HD2 0.03 0.14 -0.21 -0.04 7.28 7.20 2z8iA1 PHE 181 HE2 0.06 0.01 -0.09 -0.04 7.38 7.32 2z8iA1 PHE 181 HZ 0.10 0.07 0.03 -0.04 7.32 7.48 2z8iA1 ILE 182 H 0.16 0.09 0.14 -0.55 8.25 8.09 2z8iA1 ILE 182 HA -0.04 0.28 0.63 -0.75 4.18 4.29 2z8iA1 ILE 182 HB 0.08 -0.11 0.09 -0.04 1.89 1.91 2z8iA1 ILE 182 HG12 0.02 0.01 0.01 -0.04 1.49 1.49 2z8iA1 ILE 182 HG13 0.01 0.10 -0.05 -0.04 1.21 1.22 2z8iA1 ILE 182 HG23 0.02 0.07 -0.11 -0.04 0.93 0.86 2z8iA1 ILE 182 HD13 0.06 -0.04 0.05 -0.04 0.88 0.90 2z8iA1 VAL 183 H -0.05 0.83 0.29 -0.55 8.24 8.76 2z8iA1 VAL 183 HA 0.12 0.00 0.51 -0.75 4.13 4.01 2z8iA1 VAL 183 HB -0.02 0.04 0.12 -0.04 2.12 2.22 2z8iA1 VAL 183 HG13 0.03 0.01 -0.30 -0.04 0.97 0.66 2z8iA1 VAL 183 HG23 -0.09 0.03 -0.14 -0.04 0.95 0.71 2z8iA1 ASN 184 H 0.14 0.07 0.22 -0.55 8.53 8.41 2z8iA1 ASN 184 HA 0.05 0.26 0.82 -0.75 4.76 5.14 2z8iA1 ASN 184 HB2 0.06 -0.11 0.26 -0.04 2.88 3.05 2z8iA1 ASN 184 HB3 0.08 0.15 0.12 -0.04 2.79 3.10 2z8iA1 ASN 184 HD21 0.08 0.03 0.12 -0.04 7.03 7.22 2z8iA1 ASN 184 HD22 0.06 0.04 0.12 -0.04 7.74 7.92 2z8iA1 ASP 185 H 0.04 0.20 0.19 -0.55 8.40 8.28 2z8iA1 ASP 185 HA 0.03 0.13 0.46 -0.75 4.63 4.49 2z8iA1 ASP 185 HB2 0.03 -0.04 0.19 -0.04 2.71 2.85 2z8iA1 ASP 185 HB3 0.03 0.07 0.04 -0.04 2.70 2.80 2z8iA1 ALA 186 H 0.06 0.08 -0.01 -0.55 8.40 7.98 2z8iA1 ALA 186 HA 0.07 0.12 0.41 -0.75 4.34 4.19 2z8iA1 ALA 186 HB3 0.09 0.02 0.12 -0.04 1.41 1.60 2z8iA1 LEU 187 H 0.10 0.03 -0.14 -0.55 8.37 7.82 2z8iA1 LEU 187 HA 0.08 0.07 0.45 -0.75 4.35 4.19 2z8iA1 LEU 187 HB2 0.18 0.03 0.14 -0.04 1.64 1.94 2z8iA1 LEU 187 HB3 0.14 -0.07 0.11 -0.04 1.64 1.77 2z8iA1 LEU 187 HG 0.11 0.07 -0.20 -0.04 1.64 1.58 2z8iA1 LEU 187 HD13 0.08 -0.01 0.04 -0.04 0.93 1.00 2z8iA1 LEU 187 HD23 0.30 0.04 -0.01 -0.04 0.89 1.18 2z8iA1 ALA 188 H 0.05 0.45 -0.19 -0.55 8.40 8.16 2z8iA1 ALA 188 HA -0.01 0.21 0.38 -0.75 4.34 4.17 2z8iA1 ALA 188 HB3 -0.00 -0.01 0.04 -0.04 1.41 1.40 2z8iA1 ASP 189 H 0.03 0.66 -0.08 -0.55 8.40 8.46 2z8iA1 ASP 189 HA -0.00 0.04 0.47 -0.75 4.63 4.39 2z8iA1 ASP 189 HB2 0.05 0.10 0.22 -0.04 2.71 3.03 2z8iA1 ASP 189 HB3 0.03 -0.05 0.02 -0.04 2.70 2.67 2z8iA1 ASP 190 H 0.07 0.56 -0.05 -0.55 8.40 8.44 2z8iA1 ASP 190 HA 0.21 -0.02 0.52 -0.75 4.63 4.58 2z8iA1 ASP 190 HB2 0.06 0.07 0.18 -0.04 2.71 2.98 2z8iA1 ASP 190 HB3 0.10 -0.03 0.04 -0.04 2.70 2.77 2z8iA1 LEU 191 H 0.05 0.66 -0.12 -0.55 8.37 8.40 2z8iA1 LEU 191 HA 0.13 -0.05 0.48 -0.75 4.35 4.15 2z8iA1 LEU 191 HB2 -0.02 0.19 0.19 -0.04 1.64 1.96 2z8iA1 LEU 191 HB3 -0.04 -0.03 0.04 -0.04 1.64 1.56 2z8iA1 LEU 191 HG 0.05 0.03 0.08 -0.04 1.64 1.76 2z8iA1 LEU 191 HD13 0.06 -0.01 0.01 -0.04 0.93 0.95 2z8iA1 LEU 191 HD23 0.12 -0.01 0.04 -0.04 0.89 0.99 2z8iA1 LYS 192 H -0.01 0.45 -0.20 -0.55 8.42 8.11 2z8iA1 LYS 192 HA -0.01 0.06 0.48 -0.75 4.32 4.10 2z8iA1 LYS 192 HB2 -0.08 0.05 0.12 -0.04 1.87 1.92 2z8iA1 LYS 192 HB3 -0.03 0.05 0.18 -0.04 1.79 1.95 2z8iA1 LYS 192 HG2 -0.04 -0.06 -0.00 -0.04 1.46 1.32 2z8iA1 LYS 192 HG3 -0.03 0.00 -0.17 -0.04 1.46 1.22 2z8iA1 LYS 192 HD2 -0.02 0.01 0.13 -0.04 1.69 1.78 2z8iA1 LYS 192 HD3 -0.09 0.02 0.05 -0.04 1.68 1.62 2z8iA1 LYS 192 HE2 -0.01 -0.01 0.02 -0.04 2.99 2.94 2z8iA1 LYS 192 HE3 -0.02 0.01 0.04 -0.04 2.99 2.98 2z8iA1 THR 193 H -0.02 0.48 -0.04 -0.55 8.28 8.15 2z8iA1 THR 193 HA -0.12 0.13 0.66 -0.75 4.39 4.31 2z8iA1 THR 193 HB -0.34 -0.08 0.22 -0.04 4.32 4.09 2z8iA1 THR 193 HG23 -0.67 -0.01 -0.09 -0.04 1.22 0.41 2z8iA1 TYR 194 H -0.03 0.24 0.20 -0.55 8.29 8.15 2z8iA1 TYR 194 HA 0.02 0.12 0.60 -0.75 4.56 4.54 2z8iA1 TYR 194 HB2 -0.01 0.05 0.16 -0.04 3.06 3.23 2z8iA1 TYR 194 HB3 -0.01 0.02 0.05 -0.04 2.98 2.99 2z8iA1 TYR 194 HD2 -0.00 0.01 0.08 -0.04 7.15 7.20 2z8iA1 TYR 194 HE2 0.00 -0.01 -0.01 -0.04 6.85 6.79 2z8iA1 GLY 195 H 0.17 0.58 0.14 -0.55 8.43 8.78 2z8iA1 GLY 195 HA2 0.09 -0.05 0.41 -0.51 4.01 3.94 2z8iA1 GLY 195 HA3 0.25 0.10 0.42 -0.51 4.01 4.27 2z8iA1 SER 196 H 0.26 0.28 -0.42 -0.55 8.46 8.04 2z8iA1 SER 196 HA 0.28 -0.02 0.32 -0.75 4.49 4.33 2z8iA1 SER 196 HB2 0.12 0.13 -0.01 -0.04 3.95 4.16 2z8iA1 SER 196 HB3 0.19 -0.08 0.04 -0.04 3.93 4.04 2z8iA1 GLU 197 H 0.06 0.33 -0.51 -0.55 8.60 7.93 2z8iA1 GLU 197 HA -0.00 0.06 0.49 -0.75 4.29 4.08 2z8iA1 GLU 197 HB2 0.04 0.15 0.11 -0.04 2.09 2.35 2z8iA1 GLU 197 HB3 0.02 -0.07 0.09 -0.04 1.99 1.98 2z8iA1 GLU 197 HG2 0.01 -0.05 0.01 -0.04 2.34 2.28 2z8iA1 GLU 197 HG3 0.02 0.15 0.07 -0.04 2.34 2.54 2z8iA1 VAL 198 H -0.04 0.36 -0.16 -0.55 8.24 7.85 2z8iA1 VAL 198 HA -0.04 0.21 1.00 -0.75 4.13 4.55 2z8iA1 VAL 198 HB 0.04 -0.02 -0.02 -0.04 2.12 2.08 2z8iA1 VAL 198 HG13 0.01 -0.00 -0.21 -0.04 0.97 0.73 2z8iA1 VAL 198 HG23 -0.01 0.01 0.03 -0.04 0.95 0.94 2z8iA1 LEU 199 H -0.10 0.36 0.22 -0.55 8.37 8.31 2z8iA1 LEU 199 HA -0.02 -0.02 0.34 -0.75 4.35 3.89 2z8iA1 LEU 199 HB2 -0.34 0.14 0.04 -0.04 1.64 1.44 2z8iA1 LEU 199 HB3 -0.02 -0.05 -0.12 -0.04 1.64 1.41 2z8iA1 LEU 199 HG -0.05 0.02 0.15 -0.04 1.64 1.72 2z8iA1 LEU 199 HD13 0.02 -0.01 0.01 -0.04 0.93 0.91 2z8iA1 LEU 199 HD23 -0.05 -0.00 0.00 -0.04 0.89 0.79 2z8iA1 PRO 200 HA -0.55 0.02 0.42 -0.51 4.44 3.82 2z8iA1 PRO 200 HB2 -0.49 0.02 -0.02 -0.04 2.28 1.75 2z8iA1 PRO 200 HB3 -1.68 -0.02 -0.02 -0.04 2.02 0.26 2z8iA1 PRO 200 HG2 -0.37 0.11 -0.14 -0.04 2.03 1.59 2z8iA1 PRO 200 HG3 -0.57 0.06 0.00 -0.04 2.03 1.47 2z8iA1 PRO 200 HD2 -0.46 0.14 -0.17 -0.04 3.68 3.14 2z8iA1 PRO 200 HD3 -1.78 0.05 -0.06 -0.04 3.65 1.81 2z8iA1 ASN 201 H -0.25 0.50 -0.61 -0.55 8.53 7.62 2z8iA1 ASN 201 HA -0.24 0.09 0.57 -0.75 4.76 4.42 2z8iA1 ASN 201 HB2 -0.38 0.19 0.08 -0.04 2.88 2.73 2z8iA1 ASN 201 HB3 -0.37 -0.08 0.15 -0.04 2.79 2.45 2z8iA1 ASN 201 HD21 -0.09 0.07 -0.04 -0.04 7.03 6.94 2z8iA1 ASN 201 HD22 -0.09 0.01 0.12 -0.04 7.74 7.74 2z8iA1 HIS 202 H -0.12 0.44 -0.31 -0.55 8.41 7.88 2z8iA1 HIS 202 HA -0.02 0.14 0.88 -0.75 4.63 4.88 2z8iA1 HIS 202 HB2 -0.03 -0.01 0.13 -0.04 3.26 3.32 2z8iA1 HIS 202 HB3 0.00 -0.11 0.06 -0.04 3.20 3.11 2z8iA1 HIS 202 HD2 0.08 -0.05 0.04 -0.04 6.97 7.00 2z8iA1 HIS 202 HE1 -0.06 0.06 -0.00 -0.04 7.75 7.70 2z8iA1 GLU 203 H 0.04 0.22 0.11 -0.55 8.60 8.42 2z8iA1 GLU 203 HA -0.00 0.12 0.34 -0.75 4.29 3.99 2z8iA1 GLU 203 HB2 0.03 -0.03 0.16 -0.04 2.09 2.21 2z8iA1 GLU 203 HB3 0.02 0.02 -0.01 -0.04 1.99 1.98 2z8iA1 GLU 203 HG2 -0.01 0.04 0.04 -0.04 2.34 2.37 2z8iA1 GLU 203 HG3 -0.00 0.04 0.08 -0.04 2.34 2.41 2z8iA1 ASN 204 H 0.06 0.12 -0.07 -0.55 8.53 8.09 2z8iA1 ASN 204 HA 0.02 0.09 0.44 -0.75 4.76 4.57 2z8iA1 ASN 204 HB2 0.03 0.01 0.02 -0.04 2.88 2.90 2z8iA1 ASN 204 HB3 0.03 0.02 0.08 -0.04 2.79 2.87 2z8iA1 ASN 204 HD21 0.03 0.06 -0.01 -0.04 7.03 7.08 2z8iA1 ASN 204 HD22 0.03 0.00 -0.00 -0.04 7.74 7.72 2z8iA1 SER 205 H 0.09 0.14 -0.27 -0.55 8.46 7.87 2z8iA1 SER 205 HA 0.18 0.03 0.47 -0.75 4.49 4.41 2z8iA1 SER 205 HB2 0.11 0.35 0.21 -0.04 3.95 4.58 2z8iA1 SER 205 HB3 0.19 -0.06 0.09 -0.04 3.93 4.10 2z8iA1 LYS 206 H 0.03 0.65 -0.01 -0.55 8.42 8.54 2z8iA1 LYS 206 HA 0.05 -0.03 0.28 -0.75 4.32 3.87 2z8iA1 LYS 206 HB2 -0.13 0.12 0.05 -0.04 1.87 1.87 2z8iA1 LYS 206 HB3 -0.01 0.04 0.06 -0.04 1.79 1.84 2z8iA1 LYS 206 HG2 0.08 -0.04 -0.16 -0.04 1.46 1.30 2z8iA1 LYS 206 HG3 -0.26 -0.06 -0.04 -0.04 1.46 1.05 2z8iA1 LYS 206 HD2 -0.19 0.25 0.04 -0.04 1.69 1.74 2z8iA1 LYS 206 HD3 -0.04 -0.04 -0.06 -0.04 1.68 1.50 2z8iA1 LYS 206 HE2 0.10 -0.10 -0.08 -0.04 2.99 2.87 2z8iA1 LYS 206 HE3 -0.09 -0.00 -0.07 -0.04 2.99 2.78 2z8iA1 ALA 207 H 0.04 0.46 -0.21 -0.55 8.40 8.14 2z8iA1 ALA 207 HA 0.05 0.03 0.36 -0.75 4.34 4.02 2z8iA1 ALA 207 HB3 0.01 0.01 0.11 -0.04 1.41 1.49 2z8iA1 ILE 208 H -0.02 0.23 -0.54 -0.55 8.25 7.37 2z8iA1 ILE 208 HA -0.16 0.17 0.93 -0.75 4.18 4.37 2z8iA1 ILE 208 HB -0.54 0.07 0.18 -0.04 1.89 1.56 2z8iA1 ILE 208 HG12 -0.15 -0.10 0.03 -0.04 1.49 1.23 2z8iA1 ILE 208 HG13 -0.10 0.07 -0.04 -0.04 1.21 1.10 2z8iA1 ILE 208 HG23 -0.79 -0.01 -0.06 -0.04 0.93 0.03 2z8iA1 ILE 208 HD13 -0.08 -0.04 0.01 -0.04 0.88 0.73 2z8iA1 PHE 209 H 0.13 0.48 0.16 -0.55 8.34 8.55 2z8iA1 PHE 209 HA 0.12 0.15 0.79 -0.75 4.62 4.93 2z8iA1 PHE 209 HB2 0.31 0.07 0.04 -0.04 3.15 3.52 2z8iA1 PHE 209 HB3 0.30 -0.08 0.10 -0.04 3.06 3.34 2z8iA1 PHE 209 HD2 0.09 0.06 0.04 -0.04 7.28 7.43 2z8iA1 PHE 209 HE2 0.07 -0.01 -0.02 -0.04 7.38 7.38 2z8iA1 PHE 209 HZ 0.07 0.00 -0.02 -0.04 7.32 7.33 2z8iA1 TRP 210 H 0.39 0.48 0.00 -0.55 7.97 8.31 2z8iA1 TRP 210 HA 0.06 0.14 0.86 -0.75 4.62 4.92 2z8iA1 TRP 210 HB2 0.06 0.01 0.07 -0.04 3.23 3.33 2z8iA1 TRP 210 HB3 0.03 -0.10 -0.17 -0.04 3.23 2.95 2z8iA1 TRP 210 HD1 0.02 -0.13 -0.42 -0.04 7.22 6.65 2z8iA1 TRP 210 HE1 0.01 0.14 -0.18 -0.04 10.20 10.13 2z8iA1 TRP 210 HE3 0.14 -0.12 -0.60 -0.04 7.59 6.96 2z8iA1 TRP 210 HZ2 0.01 0.03 -0.02 -0.04 7.44 7.42 2z8iA1 TRP 210 HZ3 0.04 -0.07 -0.12 -0.04 7.13 6.94 2z8iA1 TRP 210 HH2 0.01 0.09 -0.24 -0.04 7.19 7.00 2z8iA1 LYS 211 H -0.16 0.95 0.18 -0.55 8.42 8.82 2z8iA1 LYS 211 HA 0.04 0.07 0.67 -0.75 4.32 4.36 2z8iA1 LYS 211 HB2 -0.02 0.12 -0.24 -0.04 1.87 1.69 2z8iA1 LYS 211 HB3 -0.08 0.01 -0.05 -0.04 1.79 1.62 2z8iA1 LYS 211 HG2 -0.03 -0.02 -0.21 -0.04 1.46 1.16 2z8iA1 LYS 211 HG3 -0.01 -0.01 0.05 -0.04 1.46 1.45 2z8iA1 LYS 211 HD2 -0.04 0.06 -0.00 -0.04 1.69 1.67 2z8iA1 LYS 211 HD3 -0.06 -0.05 -0.03 -0.04 1.68 1.50 2z8iA1 LYS 211 HE2 -0.03 -0.01 -0.02 -0.04 2.99 2.88 2z8iA1 LYS 211 HE3 -0.03 0.01 0.02 -0.04 2.99 2.95 2z8iA1 GLU 212 H 0.03 0.18 0.11 -0.55 8.60 8.37 2z8iA1 GLU 212 HA 0.02 0.02 0.33 -0.75 4.29 3.91 2z8iA1 GLU 212 HB2 -0.03 0.18 -0.16 -0.04 2.09 2.04 2z8iA1 GLU 212 HB3 -0.01 0.01 0.21 -0.04 1.99 2.16 2z8iA1 GLU 212 HG2 -0.00 0.00 0.05 -0.04 2.34 2.35 2z8iA1 GLU 212 HG3 -0.01 -0.05 -0.02 -0.04 2.34 2.23 2z8iA1 GLY 213 H 0.12 0.04 -0.28 -0.55 8.43 7.77 2z8iA1 GLY 213 HA2 0.26 -0.01 0.21 -0.51 4.01 3.96 2z8iA1 GLY 213 HA3 0.11 0.07 0.36 -0.51 4.01 4.04 2z8iA1 GLU 214 H -0.12 0.43 -0.51 -0.55 8.60 7.85 2z8iA1 GLU 214 HA -0.28 0.19 0.88 -0.75 4.29 4.32 2z8iA1 GLU 214 HB2 -0.21 0.06 -0.03 -0.04 2.09 1.87 2z8iA1 GLU 214 HB3 -0.25 0.02 0.07 -0.04 1.99 1.79 2z8iA1 GLU 214 HG2 -0.04 0.07 -0.34 -0.04 2.34 1.99 2z8iA1 GLU 214 HG3 -0.07 -0.07 -0.05 -0.04 2.34 2.11 2z8iA1 PRO 215 HA -1.70 0.12 0.52 -0.51 4.44 2.87 2z8iA1 PRO 215 HB2 -0.51 0.05 -0.10 -0.04 2.28 1.67 2z8iA1 PRO 215 HB3 -1.58 0.06 -0.08 -0.04 2.02 0.39 2z8iA1 PRO 215 HG2 -0.37 0.01 -0.02 -0.04 2.03 1.61 2z8iA1 PRO 215 HG3 -0.30 0.02 0.01 -0.04 2.03 1.72 2z8iA1 PRO 215 HD2 -0.38 0.07 0.21 -0.04 3.68 3.54 2z8iA1 PRO 215 HD3 -0.61 0.15 0.14 -0.04 3.65 3.28 2z8iA1 LEU 216 H -0.22 0.39 0.25 -0.55 8.37 8.25 2z8iA1 LEU 216 HA -0.14 0.00 0.39 -0.75 4.35 3.85 2z8iA1 LEU 216 HB2 -0.02 -0.06 0.07 -0.04 1.64 1.59 2z8iA1 LEU 216 HB3 -0.06 -0.04 -0.06 -0.04 1.64 1.43 2z8iA1 LEU 216 HG -0.00 0.18 -0.16 -0.04 1.64 1.61 2z8iA1 LEU 216 HD13 0.02 0.02 0.01 -0.04 0.93 0.93 2z8iA1 LEU 216 HD23 -0.06 -0.01 -0.08 -0.04 0.89 0.70 2z8iA1 LYS 217 H -0.10 0.08 0.15 -0.55 8.42 8.00 2z8iA1 LYS 217 HA -0.08 0.17 0.77 -0.75 4.32 4.43 2z8iA1 LYS 217 HB2 -0.06 -0.01 0.00 -0.04 1.87 1.77 2z8iA1 LYS 217 HB3 -0.06 -0.05 0.10 -0.04 1.79 1.75 2z8iA1 LYS 217 HG2 -0.11 0.03 0.01 -0.04 1.46 1.35 2z8iA1 LYS 217 HG3 -0.08 -0.03 -0.00 -0.04 1.46 1.31 2z8iA1 LYS 217 HD2 -0.10 -0.10 -0.03 -0.04 1.69 1.43 2z8iA1 LYS 217 HD3 -0.15 0.13 -0.38 -0.04 1.68 1.23 2z8iA1 LYS 217 HE2 -0.19 0.13 -0.08 -0.04 2.99 2.81 2z8iA1 LYS 217 HE3 -0.11 -0.08 -0.03 -0.04 2.99 2.73 2z8iA1 LYS 218 H -0.03 0.11 0.10 -0.55 8.42 8.05 2z8iA1 LYS 218 HA -0.00 0.12 0.30 -0.75 4.32 3.98 2z8iA1 LYS 218 HB2 0.00 -0.04 -0.02 -0.04 1.87 1.77 2z8iA1 LYS 218 HB3 -0.01 0.00 0.11 -0.04 1.79 1.85 2z8iA1 LYS 218 HG2 0.00 0.07 -0.20 -0.04 1.46 1.29 2z8iA1 LYS 218 HG3 0.02 -0.04 -0.01 -0.04 1.46 1.38 2z8iA1 LYS 218 HD2 0.01 -0.10 -0.04 -0.04 1.69 1.52 2z8iA1 LYS 218 HD3 0.00 0.04 -0.02 -0.04 1.68 1.66 2z8iA1 LYS 218 HE2 0.01 0.06 -0.02 -0.04 2.99 3.00 2z8iA1 LYS 218 HE3 0.02 -0.11 0.03 -0.04 2.99 2.89 2z8iA1 GLY 219 H -0.00 0.55 0.33 -0.55 8.43 8.77 2z8iA1 GLY 219 HA2 -0.00 -0.05 0.39 -0.51 4.01 3.83 2z8iA1 GLY 219 HA3 -0.01 0.15 0.79 -0.51 4.01 4.43 2z8iA1 ASP 220 H -0.04 0.53 -0.19 -0.55 8.40 8.16 2z8iA1 ASP 220 HA -0.05 0.07 0.50 -0.75 4.63 4.39 2z8iA1 ASP 220 HB2 -0.06 0.12 0.09 -0.04 2.71 2.81 2z8iA1 ASP 220 HB3 -0.07 0.06 0.05 -0.04 2.70 2.70 2z8iA1 THR 221 H -0.07 0.18 0.18 -0.55 8.28 8.02 2z8iA1 THR 221 HA -0.14 0.20 0.87 -0.75 4.39 4.57 2z8iA1 THR 221 HB -0.07 -0.02 0.11 -0.04 4.32 4.29 2z8iA1 THR 221 HG23 -0.09 -0.00 -0.26 -0.04 1.22 0.82 2z8iA1 LEU 222 H -0.45 0.63 0.26 -0.55 8.37 8.27 2z8iA1 LEU 222 HA -0.19 0.21 0.97 -0.75 4.35 4.59 2z8iA1 LEU 222 HB2 -0.24 -0.02 -0.00 -0.04 1.64 1.33 2z8iA1 LEU 222 HB3 -0.90 -0.03 0.16 -0.04 1.64 0.83 2z8iA1 LEU 222 HG -0.16 -0.04 -0.27 -0.04 1.64 1.13 2z8iA1 LEU 222 HD13 -0.16 0.01 -0.03 -0.04 0.93 0.71 2z8iA1 LEU 222 HD23 0.19 -0.02 -0.04 -0.04 0.89 0.98 2z8iA1 VAL 223 H -0.13 0.28 0.17 -0.55 8.24 8.01 2z8iA1 VAL 223 HA -0.07 0.18 0.80 -0.75 4.13 4.29 2z8iA1 VAL 223 HB -0.07 -0.02 0.11 -0.04 2.12 2.10 2z8iA1 VAL 223 HG13 -0.05 -0.00 -0.11 -0.04 0.97 0.77 2z8iA1 VAL 223 HG23 -0.07 -0.00 -0.29 -0.04 0.95 0.55 2z8iA1 GLN 224 H -0.02 0.67 0.18 -0.55 8.47 8.76 2z8iA1 GLN 224 HA -0.07 0.16 0.92 -0.75 4.36 4.61 2z8iA1 GLN 224 HB2 0.05 -0.00 0.21 -0.04 2.15 2.36 2z8iA1 GLN 224 HB3 0.00 -0.16 0.13 -0.04 2.02 1.95 2z8iA1 GLN 224 HG2 -0.15 0.08 -0.13 -0.04 2.40 2.16 2z8iA1 GLN 224 HG3 -0.02 0.01 -0.50 -0.04 2.39 1.84 2z8iA1 GLN 224 HE21 0.35 0.39 0.09 -0.04 6.97 7.76 2z8iA1 GLN 224 HE22 0.32 0.01 -0.09 -0.04 7.69 7.89 2z8iA1 ALA 225 H -0.04 0.28 -0.02 -0.55 8.40 8.08 2z8iA1 ALA 225 HA -0.01 0.13 0.36 -0.75 4.34 4.06 2z8iA1 ALA 225 HB3 -0.01 0.04 0.07 -0.04 1.41 1.47 2z8iA1 ASN 226 H -0.01 0.18 -0.08 -0.55 8.53 8.07 2z8iA1 ASN 226 HA 0.03 0.11 0.48 -0.75 4.76 4.62 2z8iA1 ASN 226 HB2 0.00 0.02 0.07 -0.04 2.88 2.93 2z8iA1 ASN 226 HB3 0.02 0.02 -0.02 -0.04 2.79 2.77 2z8iA1 ASN 226 HD21 -0.00 0.04 0.00 -0.04 7.03 7.03 2z8iA1 ASN 226 HD22 -0.00 0.03 0.00 -0.04 7.74 7.73 2z8iA1 LEU 227 H 0.03 0.14 -0.25 -0.55 8.37 7.75 2z8iA1 LEU 227 HA 0.08 0.03 0.39 -0.75 4.35 4.09 2z8iA1 LEU 227 HB2 0.07 0.01 0.06 -0.04 1.64 1.74 2z8iA1 LEU 227 HB3 0.07 0.16 0.06 -0.04 1.64 1.90 2z8iA1 LEU 227 HG 0.13 -0.03 -0.19 -0.04 1.64 1.51 2z8iA1 LEU 227 HD13 0.12 -0.02 -0.02 -0.04 0.93 0.97 2z8iA1 LEU 227 HD23 0.14 0.04 -0.07 -0.04 0.89 0.96 2z8iA1 ALA 228 H 0.06 0.45 -0.33 -0.55 8.40 8.04 2z8iA1 ALA 228 HA 0.19 0.01 0.36 -0.75 4.34 4.15 2z8iA1 ALA 228 HB3 -0.01 0.06 -0.04 -0.04 1.41 1.38 2z8iA1 LYS 229 H 0.10 0.45 -0.24 -0.55 8.42 8.18 2z8iA1 LYS 229 HA 0.13 0.02 0.41 -0.75 4.32 4.13 2z8iA1 LYS 229 HB2 0.07 0.05 0.12 -0.04 1.87 2.07 2z8iA1 LYS 229 HB3 0.06 0.15 0.17 -0.04 1.79 2.12 2z8iA1 LYS 229 HG2 0.03 0.00 -0.02 -0.04 1.46 1.43 2z8iA1 LYS 229 HG3 0.04 -0.05 -0.22 -0.04 1.46 1.18 2z8iA1 LYS 229 HD2 0.04 -0.06 0.07 -0.04 1.69 1.70 2z8iA1 LYS 229 HD3 0.05 0.04 0.01 -0.04 1.68 1.74 2z8iA1 LYS 229 HE2 0.02 0.02 -0.02 -0.04 2.99 2.97 2z8iA1 LYS 229 HE3 0.01 -0.05 -0.03 -0.04 2.99 2.88 2z8iA1 SER 230 H 0.08 0.53 -0.15 -0.55 8.46 8.38 2z8iA1 SER 230 HA 0.06 -0.04 0.35 -0.75 4.49 4.10 2z8iA1 SER 230 HB2 0.11 0.14 0.15 -0.04 3.95 4.31 2z8iA1 SER 230 HB3 0.11 -0.06 -0.03 -0.04 3.93 3.91 2z8iA1 LEU 231 H 0.15 0.74 -0.16 -0.55 8.37 8.56 2z8iA1 LEU 231 HA 0.12 -0.03 0.34 -0.75 4.35 4.02 2z8iA1 LEU 231 HB2 0.30 0.14 0.11 -0.04 1.64 2.15 2z8iA1 LEU 231 HB3 0.17 -0.07 -0.07 -0.04 1.64 1.63 2z8iA1 LEU 231 HG 0.18 0.12 -0.03 -0.04 1.64 1.88 2z8iA1 LEU 231 HD13 0.19 -0.03 -0.31 -0.04 0.93 0.73 2z8iA1 LEU 231 HD23 0.29 -0.02 -0.08 -0.04 0.89 1.03 2z8iA1 GLU 232 H 0.09 0.69 -0.16 -0.55 8.60 8.67 2z8iA1 GLU 232 HA -0.39 -0.01 0.38 -0.75 4.29 3.52 2z8iA1 GLU 232 HB2 -0.22 0.11 0.12 -0.04 2.09 2.07 2z8iA1 GLU 232 HB3 -0.05 0.08 0.13 -0.04 1.99 2.10 2z8iA1 GLU 232 HG2 -0.20 -0.04 -0.11 -0.04 2.34 1.95 2z8iA1 GLU 232 HG3 -0.61 -0.03 0.03 -0.04 2.34 1.68 2z8iA1 MET 233 H -0.00 0.64 -0.16 -0.55 8.47 8.40 2z8iA1 MET 233 HA -0.03 0.03 0.46 -0.75 4.52 4.23 2z8iA1 MET 233 HB2 0.02 0.13 0.12 -0.04 2.15 2.38 2z8iA1 MET 233 HB3 0.01 -0.11 0.03 -0.04 2.03 1.92 2z8iA1 MET 233 HG2 0.01 0.24 0.05 -0.04 2.63 2.89 2z8iA1 MET 233 HG3 0.01 -0.08 -0.01 -0.04 2.56 2.43 2z8iA1 MET 233 HE3 -0.00 -0.01 0.01 -0.04 2.10 2.06 2z8iA1 ILE 234 H 0.02 0.53 -0.21 -0.55 8.25 8.04 2z8iA1 ILE 234 HA 0.05 0.08 0.43 -0.75 4.18 3.99 2z8iA1 ILE 234 HB 0.05 0.14 0.10 -0.04 1.89 2.14 2z8iA1 ILE 234 HG12 0.12 0.28 -0.00 -0.04 1.49 1.85 2z8iA1 ILE 234 HG13 0.20 -0.04 -0.08 -0.04 1.21 1.25 2z8iA1 ILE 234 HG23 0.10 -0.02 -0.26 -0.04 0.93 0.70 2z8iA1 ILE 234 HD13 0.16 -0.02 -0.09 -0.04 0.88 0.89 2z8iA1 ALA 235 H -0.08 0.61 -0.15 -0.55 8.40 8.23 2z8iA1 ALA 235 HA -0.10 -0.06 0.26 -0.75 4.34 3.69 2z8iA1 ALA 235 HB3 -0.15 0.02 0.08 -0.04 1.41 1.31 2z8iA1 GLU 236 H -0.07 0.39 -0.26 -0.55 8.60 8.12 2z8iA1 GLU 236 HA -0.05 0.08 0.60 -0.75 4.29 4.17 2z8iA1 GLU 236 HB2 -0.08 -0.01 0.07 -0.04 2.09 2.04 2z8iA1 GLU 236 HB3 -0.05 0.02 0.14 -0.04 1.99 2.06 2z8iA1 GLU 236 HG2 -0.02 0.02 -0.28 -0.04 2.34 2.02 2z8iA1 GLU 236 HG3 -0.03 -0.02 0.05 -0.04 2.34 2.29 2z8iA1 ASN 237 H -0.01 0.61 0.01 -0.55 8.53 8.58 2z8iA1 ASN 237 HA 0.00 0.21 0.96 -0.75 4.76 5.18 2z8iA1 ASN 237 HB2 0.02 0.06 0.11 -0.04 2.88 3.03 2z8iA1 ASN 237 HB3 0.02 -0.08 0.12 -0.04 2.79 2.80 2z8iA1 ASN 237 HD21 -0.00 -0.03 0.01 -0.04 7.03 6.96 2z8iA1 ASN 237 HD22 0.00 -0.00 0.07 -0.04 7.74 7.77 2z8iA1 GLY 238 H 0.01 0.49 -0.09 -0.55 8.43 8.29 2z8iA1 GLY 238 HA2 0.03 0.06 0.35 -0.51 4.01 3.94 2z8iA1 GLY 238 HA3 0.04 0.12 0.63 -0.51 4.01 4.29 2z8iA1 PRO 239 HA 0.18 0.02 0.39 -0.51 4.44 4.51 2z8iA1 PRO 239 HB2 0.24 0.06 -0.06 -0.04 2.28 2.48 2z8iA1 PRO 239 HB3 0.15 0.06 0.04 -0.04 2.02 2.24 2z8iA1 PRO 239 HG2 0.10 0.05 0.04 -0.04 2.03 2.19 2z8iA1 PRO 239 HG3 0.08 0.09 0.05 -0.04 2.03 2.21 2z8iA1 PRO 239 HD2 0.06 0.17 0.24 -0.04 3.68 4.12 2z8iA1 PRO 239 HD3 0.08 0.11 0.18 -0.04 3.65 3.98 2z8iA1 ASP 240 H 0.12 0.24 -0.36 -0.55 8.40 7.84 2z8iA1 ASP 240 HA 0.21 0.09 0.35 -0.75 4.63 4.53 2z8iA1 ASP 240 HB2 0.07 0.16 0.00 -0.04 2.71 2.90 2z8iA1 ASP 240 HB3 0.08 -0.01 -0.06 -0.04 2.70 2.66 2z8iA1 GLU 241 H 0.10 0.56 -0.43 -0.55 8.60 8.28 2z8iA1 GLU 241 HA 0.04 -0.02 0.39 -0.75 4.29 3.94 2z8iA1 GLU 241 HB2 0.04 0.11 -0.03 -0.04 2.09 2.17 2z8iA1 GLU 241 HB3 0.08 0.12 -0.03 -0.04 1.99 2.12 2z8iA1 GLU 241 HG2 0.04 -0.01 -0.37 -0.04 2.34 1.96 2z8iA1 GLU 241 HG3 0.04 -0.05 -0.29 -0.04 2.34 2.00 2z8iA1 PHE 242 H 0.19 0.35 -0.28 -0.55 8.34 8.04 2z8iA1 PHE 242 HA -0.13 -0.03 0.41 -0.75 4.62 4.12 2z8iA1 PHE 242 HB2 -0.12 -0.06 0.04 -0.04 3.15 2.97 2z8iA1 PHE 242 HB3 -0.38 0.15 0.10 -0.04 3.06 2.89 2z8iA1 PHE 242 HD2 -1.09 0.02 -0.23 -0.04 7.28 5.94 2z8iA1 PHE 242 HE2 -0.29 0.03 -0.10 -0.04 7.38 6.98 2z8iA1 PHE 242 HZ -0.18 0.03 0.01 -0.04 7.32 7.13 2z8iA1 TYR 243 H 0.25 0.30 -0.05 -0.55 8.29 8.24 2z8iA1 TYR 243 HA 0.10 0.13 0.63 -0.75 4.56 4.66 2z8iA1 TYR 243 HB2 0.14 -0.06 0.01 -0.04 3.06 3.11 2z8iA1 TYR 243 HB3 0.14 0.28 -0.03 -0.04 2.98 3.33 2z8iA1 TYR 243 HD2 0.20 0.12 0.02 -0.04 7.15 7.44 2z8iA1 TYR 243 HE2 -0.08 0.07 -0.05 -0.04 6.85 6.74 2z8iA1 LYS 244 H 0.10 0.43 -0.07 -0.55 8.42 8.33 2z8iA1 LYS 244 HA 0.05 0.18 0.86 -0.75 4.32 4.66 2z8iA1 LYS 244 HB2 0.08 0.00 -0.01 -0.04 1.87 1.90 2z8iA1 LYS 244 HB3 0.05 -0.04 0.08 -0.04 1.79 1.83 2z8iA1 LYS 244 HG2 0.10 0.10 -0.12 -0.04 1.46 1.49 2z8iA1 LYS 244 HG3 0.16 -0.10 -0.43 -0.04 1.46 1.05 2z8iA1 LYS 244 HD2 0.07 -0.06 -0.03 -0.04 1.69 1.62 2z8iA1 LYS 244 HD3 0.05 -0.03 -0.01 -0.04 1.68 1.65 2z8iA1 LYS 244 HE2 0.06 0.04 0.02 -0.04 2.99 3.08 2z8iA1 LYS 244 HE3 0.08 0.04 -0.01 -0.04 2.99 3.06 2z8iA1 GLY 245 H 0.02 0.16 0.03 -0.55 8.43 8.09 2z8iA1 GLY 245 HA2 0.00 0.19 0.63 -0.51 4.01 4.33 2z8iA1 GLY 245 HA3 0.01 -0.07 0.46 -0.51 4.01 3.90 2z8iA1 THR 246 H -0.01 0.15 0.17 -0.55 8.28 8.04 2z8iA1 THR 246 HA -0.03 0.09 0.37 -0.75 4.39 4.06 2z8iA1 THR 246 HB -0.02 -0.02 0.09 -0.04 4.32 4.34 2z8iA1 THR 246 HG23 -0.02 0.01 -0.09 -0.04 1.22 1.09 2z8iA1 ILE 247 H -0.07 0.20 -0.15 -0.55 8.25 7.69 2z8iA1 ILE 247 HA -0.12 0.03 0.40 -0.75 4.18 3.74 2z8iA1 ILE 247 HB -0.26 0.14 0.08 -0.04 1.89 1.80 2z8iA1 ILE 247 HG12 -0.02 -0.05 -0.06 -0.04 1.49 1.32 2z8iA1 ILE 247 HG13 0.03 0.01 -0.10 -0.04 1.21 1.11 2z8iA1 ILE 247 HG23 -0.47 0.01 -0.11 -0.04 0.93 0.32 2z8iA1 ILE 247 HD13 -0.01 -0.01 -0.04 -0.04 0.88 0.77 2z8iA1 ALA 248 H -0.18 0.22 -0.30 -0.55 8.40 7.59 2z8iA1 ALA 248 HA -0.29 0.05 0.35 -0.75 4.34 3.70 2z8iA1 ALA 248 HB3 -0.08 0.07 -0.30 -0.04 1.41 1.05 2z8iA1 GLU 249 H -0.07 0.43 -0.31 -0.55 8.60 8.10 2z8iA1 GLU 249 HA -0.04 -0.01 0.38 -0.75 4.29 3.88 2z8iA1 GLU 249 HB2 -0.04 0.12 0.11 -0.04 2.09 2.25 2z8iA1 GLU 249 HB3 -0.02 -0.05 0.01 -0.04 1.99 1.88 2z8iA1 GLU 249 HG2 -0.02 -0.03 -0.04 -0.04 2.34 2.21 2z8iA1 GLU 249 HG3 -0.03 0.33 -0.07 -0.04 2.34 2.53 2z8iA1 GLN 250 H -0.08 0.55 -0.13 -0.55 8.47 8.27 2z8iA1 GLN 250 HA -0.03 -0.01 0.41 -0.75 4.36 3.97 2z8iA1 GLN 250 HB2 -0.08 0.13 0.19 -0.04 2.15 2.35 2z8iA1 GLN 250 HB3 -0.04 -0.05 0.02 -0.04 2.02 1.90 2z8iA1 GLN 250 HG2 -0.02 -0.04 0.02 -0.04 2.40 2.32 2z8iA1 GLN 250 HG3 -0.03 0.05 0.05 -0.04 2.39 2.41 2z8iA1 GLN 250 HE21 -0.01 -0.04 -0.06 -0.04 6.97 6.82 2z8iA1 GLN 250 HE22 -0.01 0.00 -0.04 -0.04 7.69 7.61 2z8iA1 ILE 251 H -0.13 0.52 -0.24 -0.55 8.25 7.85 2z8iA1 ILE 251 HA -0.06 0.03 0.47 -0.75 4.18 3.87 2z8iA1 ILE 251 HB -0.17 0.12 0.13 -0.04 1.89 1.92 2z8iA1 ILE 251 HG12 -0.14 -0.05 -0.01 -0.04 1.49 1.25 2z8iA1 ILE 251 HG13 -0.25 0.16 0.02 -0.04 1.21 1.09 2z8iA1 ILE 251 HG23 -0.06 -0.00 -0.14 -0.04 0.93 0.68 2z8iA1 ILE 251 HD13 -0.52 -0.00 -0.06 -0.04 0.88 0.25 2z8iA1 ALA 252 H -0.06 0.65 -0.05 -0.55 8.40 8.40 2z8iA1 ALA 252 HA -0.01 0.24 0.39 -0.75 4.34 4.21 2z8iA1 ALA 252 HB3 -0.02 -0.01 0.08 -0.04 1.41 1.42 2z8iA1 GLN 253 H -0.02 0.61 -0.21 -0.55 8.47 8.30 2z8iA1 GLN 253 HA -0.01 0.00 0.46 -0.75 4.36 4.05 2z8iA1 GLN 253 HB2 -0.02 0.08 0.11 -0.04 2.15 2.28 2z8iA1 GLN 253 HB3 -0.01 -0.05 -0.02 -0.04 2.02 1.90 2z8iA1 GLN 253 HG2 -0.01 -0.06 0.01 -0.04 2.40 2.30 2z8iA1 GLN 253 HG3 -0.02 0.20 0.07 -0.04 2.39 2.60 2z8iA1 GLN 253 HE21 -0.01 -0.03 -0.05 -0.04 6.97 6.84 2z8iA1 GLN 253 HE22 -0.01 -0.02 -0.03 -0.04 7.69 7.59 2z8iA1 GLU 254 H -0.01 0.48 -0.18 -0.55 8.60 8.35 2z8iA1 GLU 254 HA 0.02 -0.02 0.39 -0.75 4.29 3.93 2z8iA1 GLU 254 HB2 0.02 0.03 0.17 -0.04 2.09 2.27 2z8iA1 GLU 254 HB3 0.03 0.15 0.20 -0.04 1.99 2.33 2z8iA1 GLU 254 HG2 0.05 -0.02 -0.01 -0.04 2.34 2.33 2z8iA1 GLU 254 HG3 0.25 0.00 -0.18 -0.04 2.34 2.37 2z8iA1 MET 255 H 0.02 0.47 -0.32 -0.55 8.47 8.09 2z8iA1 MET 255 HA 0.06 0.00 0.44 -0.75 4.52 4.27 2z8iA1 MET 255 HB2 0.01 0.26 0.12 -0.04 2.15 2.51 2z8iA1 MET 255 HB3 0.03 -0.15 -0.28 -0.04 2.03 1.58 2z8iA1 MET 255 HG2 0.05 0.15 0.05 -0.04 2.63 2.84 2z8iA1 MET 255 HG3 0.03 -0.04 0.02 -0.04 2.56 2.54 2z8iA1 MET 255 HE3 0.02 0.01 0.01 -0.04 2.10 2.11 2z8iA1 GLN 256 H -0.01 0.72 0.06 -0.55 8.47 8.69 2z8iA1 GLN 256 HA -0.02 0.05 0.36 -0.75 4.36 4.00 2z8iA1 GLN 256 HB2 -0.01 0.06 0.14 -0.04 2.15 2.30 2z8iA1 GLN 256 HB3 -0.02 0.01 0.14 -0.04 2.02 2.11 2z8iA1 GLN 256 HG2 -0.01 -0.01 0.06 -0.04 2.40 2.39 2z8iA1 GLN 256 HG3 -0.01 -0.06 -0.00 -0.04 2.39 2.28 2z8iA1 GLN 256 HE21 -0.02 -0.01 -0.04 -0.04 6.97 6.86 2z8iA1 GLN 256 HE22 -0.01 -0.01 0.03 -0.04 7.69 7.65 2z8iA1 LYS 257 H -0.04 0.57 -0.26 -0.55 8.42 8.13 2z8iA1 LYS 257 HA -0.04 0.04 0.51 -0.75 4.32 4.07 2z8iA1 LYS 257 HB2 -0.05 0.10 0.07 -0.04 1.87 1.95 2z8iA1 LYS 257 HB3 -0.04 -0.08 0.09 -0.04 1.79 1.73 2z8iA1 LYS 257 HG2 -0.02 -0.07 0.02 -0.04 1.46 1.35 2z8iA1 LYS 257 HG3 -0.02 0.15 0.10 -0.04 1.46 1.64 2z8iA1 LYS 257 HD2 -0.01 0.01 -0.08 -0.04 1.69 1.57 2z8iA1 LYS 257 HD3 -0.01 -0.05 -0.00 -0.04 1.68 1.58 2z8iA1 LYS 257 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2z8iA1 LYS 257 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.89 2z8iA1 ASN 258 H -0.17 0.34 -0.34 -0.55 8.53 7.81 2z8iA1 ASN 258 HA -0.16 0.20 1.02 -0.75 4.76 5.07 2z8iA1 ASN 258 HB2 -1.11 0.13 0.18 -0.04 2.88 2.03 2z8iA1 ASN 258 HB3 -0.74 -0.09 0.25 -0.04 2.79 2.17 2z8iA1 ASN 258 HD21 -0.02 -0.11 -0.01 -0.04 7.03 6.84 2z8iA1 ASN 258 HD22 -0.15 0.43 0.13 -0.04 7.74 8.11 2z8iA1 GLY 259 H -0.08 0.28 -0.13 -0.55 8.43 7.96 2z8iA1 GLY 259 HA2 -0.03 0.03 0.33 -0.51 4.01 3.82 2z8iA1 GLY 259 HA3 -0.03 -0.00 0.45 -0.51 4.01 3.91 2z8iA1 GLY 260 H -0.05 0.59 -0.09 -0.55 8.43 8.33 2z8iA1 GLY 260 HA2 0.08 0.09 0.36 -0.51 4.01 4.02 2z8iA1 GLY 260 HA3 0.08 -0.04 0.26 -0.51 4.01 3.79 2z8iA1 LEU 261 H 0.05 0.13 0.13 -0.55 8.37 8.13 2z8iA1 LEU 261 HA 0.01 0.29 0.94 -0.75 4.35 4.84 2z8iA1 LEU 261 HB2 0.02 0.06 0.02 -0.04 1.64 1.70 2z8iA1 LEU 261 HB3 0.01 -0.16 -0.01 -0.04 1.64 1.44 2z8iA1 LEU 261 HG 0.01 0.04 -0.19 -0.04 1.64 1.46 2z8iA1 LEU 261 HD13 -0.04 -0.00 -0.21 -0.04 0.93 0.64 2z8iA1 LEU 261 HD23 -0.01 0.05 -0.17 -0.04 0.89 0.72 2z8iA1 ILE 262 H 0.04 0.09 0.07 -0.55 8.25 7.90 2z8iA1 ILE 262 HA 0.04 -0.06 0.47 -0.75 4.18 3.87 2z8iA1 ILE 262 HB 0.02 0.02 0.04 -0.04 1.89 1.93 2z8iA1 ILE 262 HG12 0.05 -0.02 -0.09 -0.04 1.49 1.39 2z8iA1 ILE 262 HG13 0.04 -0.04 0.04 -0.04 1.21 1.21 2z8iA1 ILE 262 HG23 0.03 0.01 -0.14 -0.04 0.93 0.79 2z8iA1 ILE 262 HD13 0.03 0.02 -0.28 -0.04 0.88 0.60 2z8iA1 THR 263 H 0.04 0.01 0.31 -0.55 8.28 8.08 2z8iA1 THR 263 HA 0.01 0.29 0.89 -0.75 4.39 4.82 2z8iA1 THR 263 HB 0.02 -0.06 0.20 -0.04 4.32 4.43 2z8iA1 THR 263 HG23 0.02 0.14 -0.01 -0.04 1.22 1.32 2z8iA1 LYS 264 H 0.01 0.22 0.18 -0.55 8.42 8.28 2z8iA1 LYS 264 HA 0.02 0.16 0.45 -0.75 4.32 4.20 2z8iA1 LYS 264 HB2 0.02 -0.02 0.11 -0.04 1.87 1.93 2z8iA1 LYS 264 HB3 0.02 0.10 0.05 -0.04 1.79 1.92 2z8iA1 LYS 264 HG2 -0.01 0.07 -0.06 -0.04 1.46 1.42 2z8iA1 LYS 264 HG3 -0.00 -0.03 0.09 -0.04 1.46 1.48 2z8iA1 LYS 264 HD2 -0.01 -0.00 -0.02 -0.04 1.69 1.62 2z8iA1 LYS 264 HD3 0.00 0.00 0.00 -0.04 1.68 1.65 2z8iA1 LYS 264 HE2 0.01 0.03 -0.03 -0.04 2.99 2.96 2z8iA1 LYS 264 HE3 -0.01 -0.03 -0.20 -0.04 2.99 2.71 2z8iA1 GLU 265 H 0.03 0.05 -0.12 -0.55 8.60 8.01 2z8iA1 GLU 265 HA 0.04 0.14 0.41 -0.75 4.29 4.13 2z8iA1 GLU 265 HB2 0.03 -0.07 0.06 -0.04 2.09 2.08 2z8iA1 GLU 265 HB3 0.04 0.09 -0.00 -0.04 1.99 2.07 2z8iA1 GLU 265 HG2 0.03 0.04 0.03 -0.04 2.34 2.39 2z8iA1 GLU 265 HG3 0.02 -0.05 0.07 -0.04 2.34 2.33 2z8iA1 ASP 266 H 0.05 -0.01 -0.26 -0.55 8.40 7.63 2z8iA1 ASP 266 HA 0.09 0.09 0.41 -0.75 4.63 4.46 2z8iA1 ASP 266 HB2 0.07 0.15 0.24 -0.04 2.71 3.13 2z8iA1 ASP 266 HB3 0.10 0.09 0.00 -0.04 2.70 2.85 2z8iA1 LEU 267 H 0.09 0.38 -0.10 -0.55 8.37 8.20 2z8iA1 LEU 267 HA 0.31 0.02 0.46 -0.75 4.35 4.38 2z8iA1 LEU 267 HB2 0.08 0.05 0.23 -0.04 1.64 1.96 2z8iA1 LEU 267 HB3 0.16 0.04 0.16 -0.04 1.64 1.95 2z8iA1 LEU 267 HG 0.06 -0.08 0.01 -0.04 1.64 1.60 2z8iA1 LEU 267 HD13 -0.08 -0.05 -0.04 -0.04 0.93 0.72 2z8iA1 LEU 267 HD23 -0.01 0.01 0.01 -0.04 0.89 0.86 2z8iA1 ALA 268 H 0.11 0.46 -0.11 -0.55 8.40 8.32 2z8iA1 ALA 268 HA 0.14 0.03 0.42 -0.75 4.34 4.18 2z8iA1 ALA 268 HB3 0.07 -0.02 0.12 -0.04 1.41 1.53 2z8iA1 ALA 269 H 0.10 0.29 -0.36 -0.55 8.40 7.89 2z8iA1 ALA 269 HA 0.02 0.10 0.68 -0.75 4.34 4.39 2z8iA1 ALA 269 HB3 0.05 -0.04 0.09 -0.04 1.41 1.46 2z8iA1 TYR 270 H 0.19 0.26 -0.28 -0.55 8.29 7.91 2z8iA1 TYR 270 HA 0.01 -0.01 0.41 -0.75 4.56 4.22 2z8iA1 TYR 270 HB2 0.12 0.01 0.08 -0.04 3.06 3.23 2z8iA1 TYR 270 HB3 -0.11 0.04 0.05 -0.04 2.98 2.91 2z8iA1 TYR 270 HD2 -0.19 -0.07 -0.17 -0.04 7.15 6.67 2z8iA1 TYR 270 HE2 -0.02 -0.05 -0.13 -0.04 6.85 6.61 2z8iA1 LYS 271 H -1.30 0.24 0.17 -0.55 8.42 6.98 2z8iA1 LYS 271 HA -0.28 0.01 0.56 -0.75 4.32 3.84 2z8iA1 LYS 271 HB2 -0.15 -0.01 0.10 -0.04 1.87 1.76 2z8iA1 LYS 271 HB3 -0.17 0.16 -0.20 -0.04 1.79 1.54 2z8iA1 LYS 271 HG2 -0.24 -0.01 0.02 -0.04 1.46 1.19 2z8iA1 LYS 271 HG3 -0.19 -0.00 -0.22 -0.04 1.46 1.00 2z8iA1 LYS 271 HD2 -0.08 -0.02 -0.02 -0.04 1.69 1.53 2z8iA1 LYS 271 HD3 -0.09 0.04 -0.04 -0.04 1.68 1.56 2z8iA1 LYS 271 HE2 -0.07 0.00 -0.02 -0.04 2.99 2.87 2z8iA1 LYS 271 HE3 -0.06 -0.03 -0.05 -0.04 2.99 2.80 2z8iA1 ALA 272 H -0.09 0.07 0.11 -0.55 8.40 7.94 2z8iA1 ALA 272 HA 0.04 0.20 0.73 -0.75 4.34 4.56 2z8iA1 ALA 272 HB3 0.10 -0.04 -0.11 -0.04 1.41 1.32 2z8iA1 VAL 273 H 0.06 0.70 0.34 -0.55 8.24 8.80 2z8iA1 VAL 273 HA 0.01 0.18 1.06 -0.75 4.13 4.63 2z8iA1 VAL 273 HB 0.03 -0.06 0.12 -0.04 2.12 2.16 2z8iA1 VAL 273 HG13 0.01 0.03 -0.13 -0.04 0.97 0.84 2z8iA1 VAL 273 HG23 -0.05 0.04 -0.23 -0.04 0.95 0.67 2z8iA1 GLU 274 H 0.04 0.17 0.15 -0.55 8.60 8.42 2z8iA1 GLU 274 HA 0.08 0.17 0.86 -0.75 4.29 4.64 2z8iA1 GLU 274 HB2 0.10 -0.04 0.07 -0.04 2.09 2.18 2z8iA1 GLU 274 HB3 0.06 -0.01 0.16 -0.04 1.99 2.16 2z8iA1 GLU 274 HG2 0.06 -0.01 -0.16 -0.04 2.34 2.20 2z8iA1 GLU 274 HG3 0.08 0.12 0.05 -0.04 2.34 2.55 2z8iA1 ARG 275 H 0.04 0.67 0.41 -0.55 8.46 9.03 2z8iA1 ARG 275 HA -0.00 0.16 0.92 -0.75 4.34 4.67 2z8iA1 ARG 275 HB2 -0.00 -0.05 -0.03 -0.04 1.90 1.78 2z8iA1 ARG 275 HB3 -0.05 0.03 0.08 -0.04 1.80 1.83 2z8iA1 ARG 275 HG2 0.01 0.05 -0.15 -0.04 1.67 1.54 2z8iA1 ARG 275 HG3 0.04 0.02 -0.43 -0.04 1.67 1.25 2z8iA1 ARG 275 HD2 0.03 -0.00 -0.01 -0.04 3.22 3.20 2z8iA1 ARG 275 HD3 -0.00 0.05 0.04 -0.04 3.22 3.26 2z8iA1 THR 276 H -0.07 0.13 0.17 -0.55 8.28 7.96 2z8iA1 THR 276 HA -0.04 0.09 0.57 -0.75 4.39 4.25 2z8iA1 THR 276 HB -0.17 -0.04 0.15 -0.04 4.32 4.22 2z8iA1 THR 276 HG23 -0.08 0.07 -0.00 -0.04 1.22 1.18 2z8iA1 PRO 277 HA -0.07 0.05 0.47 -0.51 4.44 4.39 2z8iA1 PRO 277 HB2 0.19 -0.01 -0.11 -0.04 2.28 2.31 2z8iA1 PRO 277 HB3 0.06 0.05 0.00 -0.04 2.02 2.10 2z8iA1 PRO 277 HG2 -0.02 0.04 -0.34 -0.04 2.03 1.66 2z8iA1 PRO 277 HG3 -0.02 -0.06 -0.23 -0.04 2.03 1.68 2z8iA1 PRO 277 HD2 0.01 0.12 0.21 -0.04 3.68 3.97 2z8iA1 PRO 277 HD3 -0.02 0.10 0.40 -0.04 3.65 4.09 2z8iA1 ILE 278 H -0.10 0.32 0.11 -0.55 8.25 8.04 2z8iA1 ILE 278 HA -0.22 0.14 0.66 -0.75 4.18 4.00 2z8iA1 ILE 278 HB -0.12 -0.08 -0.21 -0.04 1.89 1.44 2z8iA1 ILE 278 HG12 -0.26 0.03 -0.03 -0.04 1.49 1.18 2z8iA1 ILE 278 HG13 -0.17 -0.08 -0.01 -0.04 1.21 0.91 2z8iA1 ILE 278 HG23 -0.05 -0.01 -0.41 -0.04 0.93 0.42 2z8iA1 ILE 278 HD13 -0.41 0.03 -0.00 -0.04 0.88 0.46 2z8iA1 SER 279 H -0.07 0.24 0.16 -0.55 8.46 8.24 2z8iA1 SER 279 HA -0.19 0.26 0.86 -0.75 4.49 4.67 2z8iA1 SER 279 HB2 -0.85 0.04 0.04 -0.04 3.95 3.14 2z8iA1 SER 279 HB3 -0.41 -0.05 -0.28 -0.04 3.93 3.15 2z8iA1 GLY 280 H -0.21 0.45 0.34 -0.55 8.43 8.47 2z8iA1 GLY 280 HA2 -0.03 0.16 0.65 -0.51 4.01 4.28 2z8iA1 GLY 280 HA3 -0.02 0.05 0.33 -0.51 4.01 3.86 2z8iA1 ASP 281 H 0.03 0.28 0.18 -0.55 8.40 8.34 2z8iA1 ASP 281 HA 0.05 0.33 0.99 -0.75 4.63 5.25 2z8iA1 ASP 281 HB2 0.01 0.03 -0.09 -0.04 2.71 2.62 2z8iA1 ASP 281 HB3 0.03 -0.01 0.12 -0.04 2.70 2.80 2z8iA1 TYR 282 H 0.21 0.85 0.21 -0.55 8.29 9.00 2z8iA1 TYR 282 HA 0.04 0.19 0.92 -0.75 4.56 4.96 2z8iA1 TYR 282 HB2 0.02 -0.00 -0.13 -0.04 3.06 2.91 2z8iA1 TYR 282 HB3 0.04 -0.00 0.10 -0.04 2.98 3.07 2z8iA1 TYR 282 HD2 -0.02 0.03 -0.07 -0.04 7.15 7.05 2z8iA1 TYR 282 HE2 0.00 0.03 -0.07 -0.04 6.85 6.77 2z8iA1 ARG 283 H -0.13 0.24 0.08 -0.55 8.46 8.10 2z8iA1 ARG 283 HA -0.09 0.06 0.33 -0.75 4.34 3.89 2z8iA1 ARG 283 HB2 -0.09 0.13 -0.01 -0.04 1.90 1.89 2z8iA1 ARG 283 HB3 -0.07 0.01 0.20 -0.04 1.80 1.90 2z8iA1 ARG 283 HG2 -0.35 0.08 0.08 -0.04 1.67 1.43 2z8iA1 ARG 283 HG3 -1.23 -0.06 -0.19 -0.04 1.67 0.15 2z8iA1 ARG 283 HD2 -0.24 -0.01 -0.01 -0.04 3.22 2.92 2z8iA1 ARG 283 HD3 -0.17 0.00 0.04 -0.04 3.22 3.06 2z8iA1 GLY 284 H 0.04 0.04 -0.38 -0.55 8.43 7.58 2z8iA1 GLY 284 HA2 -0.01 -0.01 0.22 -0.51 4.01 3.69 2z8iA1 GLY 284 HA3 -0.06 0.16 0.55 -0.51 4.01 4.14 2z8iA1 TYR 285 H 0.29 0.45 -0.36 -0.55 8.29 8.12 2z8iA1 TYR 285 HA 0.04 0.15 0.78 -0.75 4.56 4.78 2z8iA1 TYR 285 HB2 0.12 0.08 0.09 -0.04 3.06 3.30 2z8iA1 TYR 285 HB3 0.08 0.01 -0.05 -0.04 2.98 2.97 2z8iA1 TYR 285 HD2 0.03 0.09 -0.05 -0.04 7.15 7.18 2z8iA1 TYR 285 HE2 0.02 -0.00 -0.01 -0.04 6.85 6.82 2z8iA1 GLN 286 H 0.13 0.20 0.14 -0.55 8.47 8.39 2z8iA1 GLN 286 HA 0.01 0.30 1.08 -0.75 4.36 4.98 2z8iA1 GLN 286 HB2 0.16 -0.03 0.11 -0.04 2.15 2.36 2z8iA1 GLN 286 HB3 -0.13 0.04 -0.02 -0.04 2.02 1.88 2z8iA1 GLN 286 HG2 0.06 0.01 -0.06 -0.04 2.40 2.37 2z8iA1 GLN 286 HG3 0.01 0.02 -0.11 -0.04 2.39 2.26 2z8iA1 GLN 286 HE21 -0.01 0.33 -0.27 -0.04 6.97 6.98 2z8iA1 GLN 286 HE22 0.02 -0.06 -0.36 -0.04 7.69 7.25 2z8iA1 VAL 287 H -0.11 0.53 0.23 -0.55 8.24 8.34 2z8iA1 VAL 287 HA 0.04 0.15 0.87 -0.75 4.13 4.43 2z8iA1 VAL 287 HB -0.06 -0.06 0.01 -0.04 2.12 1.97 2z8iA1 VAL 287 HG13 -0.03 0.00 -0.23 -0.04 0.97 0.68 2z8iA1 VAL 287 HG23 0.03 0.02 -0.24 -0.04 0.95 0.72 2z8iA1 TYR 288 H 0.16 0.21 0.15 -0.55 8.29 8.26 2z8iA1 TYR 288 HA -0.02 0.30 0.99 -0.75 4.56 5.07 2z8iA1 TYR 288 HB2 -0.01 -0.04 0.06 -0.04 3.06 3.03 2z8iA1 TYR 288 HB3 -0.03 0.02 -0.07 -0.04 2.98 2.87 2z8iA1 TYR 288 HD2 -0.01 0.03 -0.16 -0.04 7.15 6.97 2z8iA1 TYR 288 HE2 0.00 0.02 -0.10 -0.04 6.85 6.73 2z8iA1 SER 289 H 0.01 0.73 0.27 -0.55 8.46 8.92 2z8iA1 SER 289 HA -0.00 0.12 0.53 -0.75 4.49 4.38 2z8iA1 SER 289 HB2 -0.03 0.08 -0.30 -0.04 3.95 3.66 2z8iA1 SER 289 HB3 -0.06 -0.03 -0.05 -0.04 3.93 3.75 2z8iA1 MET 290 H -0.13 0.06 0.10 -0.55 8.47 7.95 2z8iA1 MET 290 HA -0.15 0.21 0.55 -0.75 4.52 4.37 2z8iA1 MET 290 HB2 -0.38 -0.18 0.09 -0.04 2.15 1.65 2z8iA1 MET 290 HB3 -0.63 0.19 -0.01 -0.04 2.03 1.53 2z8iA1 MET 290 HG2 -0.15 -0.04 -0.03 -0.04 2.63 2.37 2z8iA1 MET 290 HG3 -0.43 -0.01 -0.05 -0.04 2.56 2.02 2z8iA1 MET 290 HE3 -0.10 0.04 -0.11 -0.04 2.10 1.89 2z8iA1 PRO 291 HA -0.18 0.05 0.65 -0.51 4.44 4.45 2z8iA1 PRO 291 HB2 -0.22 0.09 0.15 -0.04 2.28 2.27 2z8iA1 PRO 291 HB3 -0.23 0.04 0.07 -0.04 2.02 1.85 2z8iA1 PRO 291 HG2 -0.10 0.13 -0.13 -0.04 2.03 1.89 2z8iA1 PRO 291 HG3 -0.11 0.17 -0.13 -0.04 2.03 1.91 2z8iA1 PRO 291 HD2 -0.14 -0.01 0.12 -0.04 3.68 3.62 2z8iA1 PRO 291 HD3 -0.11 0.15 0.19 -0.04 3.65 3.84 2z8iA1 PRO 292 HA -0.05 0.02 0.43 -0.51 4.44 4.33 2z8iA1 PRO 292 HB2 -0.00 -0.01 0.15 -0.04 2.28 2.37 2z8iA1 PRO 292 HB3 0.02 0.25 0.18 -0.04 2.02 2.42 2z8iA1 PRO 292 HG2 0.02 0.01 0.14 -0.04 2.03 2.15 2z8iA1 PRO 292 HG3 -0.02 0.05 0.10 -0.04 2.03 2.12 2z8iA1 PRO 292 HD2 -0.17 0.11 0.25 -0.04 3.68 3.83 2z8iA1 PRO 292 HD3 -0.13 0.04 0.24 -0.04 3.65 3.75 2z8iA1 PRO 293 HA 0.05 0.12 0.20 -0.51 4.44 4.30 2z8iA1 PRO 293 HB2 0.15 0.02 0.08 -0.04 2.28 2.49 2z8iA1 PRO 293 HB3 0.10 -0.02 0.13 -0.04 2.02 2.18 2z8iA1 PRO 293 HG2 0.45 -0.03 -0.02 -0.04 2.03 2.39 2z8iA1 PRO 293 HG3 0.16 0.05 0.07 -0.04 2.03 2.27 2z8iA1 PRO 293 HD2 0.16 0.14 0.19 -0.04 3.68 4.12 2z8iA1 PRO 293 HD3 0.10 0.06 0.31 -0.04 3.65 4.08 2z8iA1 SER 294 H -0.18 0.66 0.24 -0.55 8.46 8.63 2z8iA1 SER 294 HA -0.09 0.20 0.90 -0.75 4.49 4.75 2z8iA1 SER 294 HB2 -1.14 0.03 -0.03 -0.04 3.95 2.78 2z8iA1 SER 294 HB3 -0.57 0.15 -0.14 -0.04 3.93 3.33 2z8iA1 SER 295 H -0.05 0.18 0.08 -0.55 8.46 8.13 2z8iA1 SER 295 HA -0.09 0.19 0.64 -0.75 4.49 4.48 2z8iA1 SER 295 HB2 0.19 0.02 0.04 -0.04 3.95 4.16 2z8iA1 SER 295 HB3 0.06 0.10 -0.04 -0.04 3.93 4.01 2z8iA1 GLY 296 H -0.11 0.03 -0.10 -0.55 8.43 7.70 2z8iA1 GLY 296 HA2 -0.03 0.09 0.29 -0.51 4.01 3.85 2z8iA1 GLY 296 HA3 -0.09 0.04 0.26 -0.51 4.01 3.72 2z8iA1 GLY 297 H -0.15 0.36 -0.10 -0.55 8.43 8.00 2z8iA1 GLY 297 HA2 -0.08 -0.01 0.26 -0.51 4.01 3.67 2z8iA1 GLY 297 HA3 -0.11 0.22 0.09 -0.51 4.01 3.70 2z8iA1 ILE 298 H -0.15 0.17 -0.32 -0.55 8.25 7.40 2z8iA1 ILE 298 HA -0.07 0.08 0.28 -0.75 4.18 3.71 2z8iA1 ILE 298 HB -0.36 0.07 0.04 -0.04 1.89 1.60 2z8iA1 ILE 298 HG12 -0.10 -0.01 0.03 -0.04 1.49 1.36 2z8iA1 ILE 298 HG13 -0.03 0.02 -0.01 -0.04 1.21 1.15 2z8iA1 ILE 298 HG23 -0.23 0.01 -0.25 -0.04 0.93 0.42 2z8iA1 ILE 298 HD13 0.10 0.01 -0.02 -0.04 0.88 0.92 2z8iA1 HIS 299 H -0.21 0.50 -0.16 -0.55 8.41 7.99 2z8iA1 HIS 299 HA -0.04 0.09 0.52 -0.75 4.63 4.45 2z8iA1 HIS 299 HB2 -0.15 0.06 0.03 -0.04 3.26 3.16 2z8iA1 HIS 299 HB3 -0.19 -0.04 -0.01 -0.04 3.20 2.91 2z8iA1 HIS 299 HD2 -0.13 -0.05 -0.06 -0.04 6.97 6.68 2z8iA1 HIS 299 HE1 0.07 -0.02 -0.13 -0.04 7.75 7.62 2z8iA1 ILE 300 H -0.02 0.60 -0.15 -0.55 8.25 8.13 2z8iA1 ILE 300 HA -0.03 0.02 0.41 -0.75 4.18 3.83 2z8iA1 ILE 300 HB -0.05 0.08 0.05 -0.04 1.89 1.93 2z8iA1 ILE 300 HG12 -0.03 -0.04 -0.02 -0.04 1.49 1.36 2z8iA1 ILE 300 HG13 -0.02 0.08 0.03 -0.04 1.21 1.25 2z8iA1 ILE 300 HG23 -0.06 -0.01 -0.19 -0.04 0.93 0.62 2z8iA1 ILE 300 HD13 -0.03 -0.03 -0.13 -0.04 0.88 0.64 2z8iA1 VAL 301 H -0.04 0.55 -0.24 -0.55 8.24 7.97 2z8iA1 VAL 301 HA -0.04 -0.03 0.32 -0.75 4.13 3.63 2z8iA1 VAL 301 HB -0.02 0.16 0.02 -0.04 2.12 2.24 2z8iA1 VAL 301 HG13 0.01 0.00 -0.16 -0.04 0.97 0.78 2z8iA1 VAL 301 HG23 -0.05 -0.02 -0.24 -0.04 0.95 0.60 2z8iA1 GLN 302 H 0.01 0.49 -0.19 -0.55 8.47 8.24 2z8iA1 GLN 302 HA 0.03 0.08 0.44 -0.75 4.36 4.15 2z8iA1 GLN 302 HB2 0.08 0.16 0.10 -0.04 2.15 2.45 2z8iA1 GLN 302 HB3 0.11 -0.07 0.18 -0.04 2.02 2.20 2z8iA1 GLN 302 HG2 0.04 -0.07 -0.29 -0.04 2.40 2.04 2z8iA1 GLN 302 HG3 0.05 0.06 0.04 -0.04 2.39 2.49 2z8iA1 GLN 302 HE21 0.30 -0.04 -0.08 -0.04 6.97 7.11 2z8iA1 GLN 302 HE22 0.02 -0.00 -0.08 -0.04 7.69 7.59 2z8iA1 ILE 303 H 0.01 0.68 -0.13 -0.55 8.25 8.26 2z8iA1 ILE 303 HA 0.01 0.03 0.39 -0.75 4.18 3.85 2z8iA1 ILE 303 HB -0.03 0.08 0.11 -0.04 1.89 2.01 2z8iA1 ILE 303 HG12 0.01 0.21 0.10 -0.04 1.49 1.76 2z8iA1 ILE 303 HG13 -0.00 -0.06 -0.03 -0.04 1.21 1.07 2z8iA1 ILE 303 HG23 -0.01 -0.03 -0.12 -0.04 0.93 0.72 2z8iA1 ILE 303 HD13 0.03 -0.05 -0.25 -0.04 0.88 0.57 2z8iA1 LEU 304 H -0.07 0.63 -0.16 -0.55 8.37 8.22 2z8iA1 LEU 304 HA -0.22 -0.04 0.39 -0.75 4.35 3.73 2z8iA1 LEU 304 HB2 -0.11 0.12 0.09 -0.04 1.64 1.70 2z8iA1 LEU 304 HB3 -0.34 -0.08 -0.05 -0.04 1.64 1.13 2z8iA1 LEU 304 HG -0.23 0.13 0.03 -0.04 1.64 1.53 2z8iA1 LEU 304 HD13 -0.21 -0.03 -0.14 -0.04 0.93 0.51 2z8iA1 LEU 304 HD23 -0.98 -0.03 -0.04 -0.04 0.89 -0.20 2z8iA1 ASN 305 H 0.02 0.61 -0.29 -0.55 8.53 8.32 2z8iA1 ASN 305 HA 0.11 -0.03 0.40 -0.75 4.76 4.48 2z8iA1 ASN 305 HB2 0.01 0.26 0.19 -0.04 2.88 3.30 2z8iA1 ASN 305 HB3 0.01 -0.12 -0.01 -0.04 2.79 2.62 2z8iA1 ASN 305 HD21 0.03 0.09 -0.05 -0.04 7.03 7.06 2z8iA1 ASN 305 HD22 0.02 -0.01 -0.26 -0.04 7.74 7.45 2z8iA1 ILE 306 H 0.03 0.45 -0.21 -0.55 8.25 7.96 2z8iA1 ILE 306 HA 0.03 0.05 0.41 -0.75 4.18 3.92 2z8iA1 ILE 306 HB 0.04 0.10 0.20 -0.04 1.89 2.19 2z8iA1 ILE 306 HG12 -0.04 0.30 0.13 -0.04 1.49 1.84 2z8iA1 ILE 306 HG13 -0.04 -0.05 0.02 -0.04 1.21 1.09 2z8iA1 ILE 306 HG23 0.09 -0.03 -0.09 -0.04 0.93 0.86 2z8iA1 ILE 306 HD13 -0.19 -0.04 0.12 -0.04 0.88 0.73 2z8iA1 LEU 307 H 0.11 0.69 0.02 -0.55 8.37 8.64 2z8iA1 LEU 307 HA 0.33 -0.01 0.35 -0.75 4.35 4.27 2z8iA1 LEU 307 HB2 0.17 0.08 0.10 -0.04 1.64 1.95 2z8iA1 LEU 307 HB3 0.20 -0.12 0.03 -0.04 1.64 1.72 2z8iA1 LEU 307 HG 0.02 0.31 -0.01 -0.04 1.64 1.92 2z8iA1 LEU 307 HD13 -0.04 -0.03 -0.07 -0.04 0.93 0.74 2z8iA1 LEU 307 HD23 -0.03 -0.03 -0.11 -0.04 0.89 0.69 2z8iA1 GLU 308 H 0.26 0.56 -0.36 -0.55 8.60 8.52 2z8iA1 GLU 308 HA 0.08 -0.06 0.41 -0.75 4.29 3.97 2z8iA1 GLU 308 HB2 0.24 0.07 0.17 -0.04 2.09 2.53 2z8iA1 GLU 308 HB3 0.08 0.20 0.11 -0.04 1.99 2.33 2z8iA1 GLU 308 HG2 -0.04 0.02 0.03 -0.04 2.34 2.31 2z8iA1 GLU 308 HG3 -0.17 -0.11 0.15 -0.04 2.34 2.17 2z8iA1 ASN 309 H 0.10 0.46 -0.48 -0.55 8.53 8.07 2z8iA1 ASN 309 HA -0.12 0.02 0.49 -0.75 4.76 4.40 2z8iA1 ASN 309 HB2 -0.25 0.22 0.12 -0.04 2.88 2.94 2z8iA1 ASN 309 HB3 -0.41 -0.08 0.14 -0.04 2.79 2.41 2z8iA1 ASN 309 HD21 -0.04 -0.08 -0.05 -0.04 7.03 6.82 2z8iA1 ASN 309 HD22 -0.00 0.25 0.17 -0.04 7.74 8.12 2z8iA1 PHE 310 H 0.23 0.64 -0.34 -0.55 8.34 8.31 2z8iA1 PHE 310 HA 0.08 0.14 0.87 -0.75 4.62 4.96 2z8iA1 PHE 310 HB2 0.14 0.07 0.05 -0.04 3.15 3.36 2z8iA1 PHE 310 HB3 0.31 -0.11 -0.04 -0.04 3.06 3.17 2z8iA1 PHE 310 HD2 0.10 -0.01 -0.02 -0.04 7.28 7.31 2z8iA1 PHE 310 HE2 0.00 0.01 -0.03 -0.04 7.38 7.32 2z8iA1 PHE 310 HZ -0.01 0.20 0.07 -0.04 7.32 7.53 2z8iA1 ASP 311 H 0.13 0.18 0.05 -0.55 8.40 8.22 2z8iA1 ASP 311 HA -0.00 0.18 0.65 -0.75 4.63 4.70 2z8iA1 ASP 311 HB2 -0.07 0.10 0.11 -0.04 2.71 2.81 2z8iA1 ASP 311 HB3 -0.26 -0.02 0.23 -0.04 2.70 2.61 2z8iA1 MET 312 H 0.13 0.58 -0.08 -0.55 8.47 8.55 2z8iA1 MET 312 HA 0.32 0.02 0.29 -0.75 4.52 4.39 2z8iA1 MET 312 HB2 0.14 0.01 0.07 -0.04 2.15 2.33 2z8iA1 MET 312 HB3 0.15 -0.03 -0.05 -0.04 2.03 2.06 2z8iA1 MET 312 HG2 0.24 0.29 0.01 -0.04 2.63 3.13 2z8iA1 MET 312 HG3 0.21 0.00 -0.03 -0.04 2.56 2.71 2z8iA1 MET 312 HE3 0.04 0.01 -0.02 -0.04 2.10 2.09 2z8iA1 LYS 313 H 0.02 0.15 -0.15 -0.55 8.42 7.90 2z8iA1 LYS 313 HA 0.05 0.04 0.34 -0.75 4.32 3.98 2z8iA1 LYS 313 HB2 0.02 0.01 0.08 -0.04 1.87 1.94 2z8iA1 LYS 313 HB3 -0.01 -0.01 0.01 -0.04 1.79 1.74 2z8iA1 LYS 313 HG2 0.01 0.04 -0.15 -0.04 1.46 1.32 2z8iA1 LYS 313 HG3 0.03 -0.01 0.03 -0.04 1.46 1.46 2z8iA1 LYS 313 HD2 0.00 0.00 -0.03 -0.04 1.69 1.62 2z8iA1 LYS 313 HD3 0.01 0.02 -0.03 -0.04 1.68 1.64 2z8iA1 LYS 313 HE2 0.03 -0.00 -0.00 -0.04 2.99 2.97 2z8iA1 LYS 313 HE3 0.02 -0.02 0.01 -0.04 2.99 2.95 2z8iA1 LYS 314 H -0.12 0.12 -0.40 -0.55 8.42 7.46 2z8iA1 LYS 314 HA -0.07 0.04 0.35 -0.75 4.32 3.88 2z8iA1 LYS 314 HB2 -0.17 -0.08 0.09 -0.04 1.87 1.68 2z8iA1 LYS 314 HB3 -0.47 0.26 0.16 -0.04 1.79 1.70 2z8iA1 LYS 314 HG2 -0.22 0.02 -0.24 -0.04 1.46 0.98 2z8iA1 LYS 314 HG3 -0.11 -0.02 0.02 -0.04 1.46 1.31 2z8iA1 LYS 314 HD2 -0.37 -0.01 0.00 -0.04 1.69 1.27 2z8iA1 LYS 314 HD3 -0.12 -0.01 -0.01 -0.04 1.68 1.50 2z8iA1 LYS 314 HE2 -0.08 -0.00 0.01 -0.04 2.99 2.88 2z8iA1 LYS 314 HE3 -0.14 -0.02 0.04 -0.04 2.99 2.83 2z8iA1 TYR 315 H -0.25 0.25 -0.12 -0.55 8.29 7.62 2z8iA1 TYR 315 HA 0.02 0.01 0.46 -0.75 4.56 4.29 2z8iA1 TYR 315 HB2 0.01 0.09 0.10 -0.04 3.06 3.22 2z8iA1 TYR 315 HB3 -0.01 -0.25 0.03 -0.04 2.98 2.71 2z8iA1 TYR 315 HD2 0.02 -0.01 -0.09 -0.04 7.15 7.03 2z8iA1 TYR 315 HE2 0.10 -0.02 -0.11 -0.04 6.85 6.78 2z8iA1 GLY 316 H 0.12 0.47 -0.11 -0.55 8.43 8.36 2z8iA1 GLY 316 HA2 0.10 -0.00 0.34 -0.51 4.01 3.94 2z8iA1 GLY 316 HA3 0.10 0.17 0.44 -0.51 4.01 4.21 2z8iA1 PHE 317 H 0.22 0.12 0.12 -0.55 8.34 8.25 2z8iA1 PHE 317 HA 0.02 -0.01 0.40 -0.75 4.62 4.29 2z8iA1 PHE 317 HB2 0.02 0.01 0.11 -0.04 3.15 3.24 2z8iA1 PHE 317 HB3 0.02 0.04 0.09 -0.04 3.06 3.16 2z8iA1 PHE 317 HD2 0.01 0.01 -0.20 -0.04 7.28 7.06 2z8iA1 PHE 317 HE2 -0.01 0.01 -0.04 -0.04 7.38 7.31 2z8iA1 PHE 317 HZ -0.02 0.01 -0.02 -0.04 7.32 7.25 2z8iA1 GLY 318 H -0.96 0.10 0.15 -0.55 8.43 7.17 2z8iA1 GLY 318 HA2 -0.38 -0.01 0.32 -0.51 4.01 3.43 2z8iA1 GLY 318 HA3 -0.07 0.08 0.38 -0.51 4.01 3.89 2z8iA1 SER 319 H -0.10 0.24 -0.34 -0.55 8.46 7.72 2z8iA1 SER 319 HA -0.02 0.15 0.66 -0.75 4.49 4.54 2z8iA1 SER 319 HB2 0.03 -0.14 0.11 -0.04 3.95 3.91 2z8iA1 SER 319 HB3 0.04 0.31 0.01 -0.04 3.93 4.25 2z8iA1 ALA 320 H -0.04 0.21 0.16 -0.55 8.40 8.20 2z8iA1 ALA 320 HA -0.08 0.10 0.41 -0.75 4.34 4.01 2z8iA1 ALA 320 HB3 -0.05 0.03 0.10 -0.04 1.41 1.46 2z8iA1 ASP 321 H -0.09 0.11 -0.09 -0.55 8.40 7.78 2z8iA1 ASP 321 HA -0.24 0.16 0.39 -0.75 4.63 4.19 2z8iA1 ASP 321 HB2 -0.20 -0.00 0.10 -0.04 2.71 2.56 2z8iA1 ASP 321 HB3 -0.95 0.03 -0.03 -0.04 2.70 1.72 2z8iA1 ALA 322 H -0.14 0.14 -0.26 -0.55 8.40 7.60 2z8iA1 ALA 322 HA -0.19 0.04 0.35 -0.75 4.34 3.79 2z8iA1 ALA 322 HB3 -0.02 0.01 -0.01 -0.04 1.41 1.36 2z8iA1 MET 323 H -0.15 0.48 -0.24 -0.55 8.47 8.01 2z8iA1 MET 323 HA -0.13 -0.00 0.37 -0.75 4.52 4.00 2z8iA1 MET 323 HB2 -0.12 0.10 0.09 -0.04 2.15 2.19 2z8iA1 MET 323 HB3 -0.11 -0.03 -0.01 -0.04 2.03 1.84 2z8iA1 MET 323 HG2 -0.20 -0.06 -0.02 -0.04 2.63 2.31 2z8iA1 MET 323 HG3 -0.19 0.10 0.00 -0.04 2.56 2.43 2z8iA1 MET 323 HE3 -0.10 -0.01 -0.04 -0.04 2.10 1.91 2z8iA1 GLN 324 H -0.16 0.66 -0.16 -0.55 8.47 8.27 2z8iA1 GLN 324 HA -0.11 -0.02 0.37 -0.75 4.36 3.85 2z8iA1 GLN 324 HB2 -0.11 -0.00 0.08 -0.04 2.15 2.07 2z8iA1 GLN 324 HB3 -0.19 0.09 0.22 -0.04 2.02 2.11 2z8iA1 GLN 324 HG2 -0.11 0.24 -0.02 -0.04 2.40 2.46 2z8iA1 GLN 324 HG3 -0.14 -0.04 -0.40 -0.04 2.39 1.78 2z8iA1 GLN 324 HE21 -0.04 -0.15 -0.39 -0.04 6.97 6.35 2z8iA1 GLN 324 HE22 -0.05 0.34 -0.23 -0.04 7.69 7.71 2z8iA1 ILE 325 H -0.27 0.60 -0.09 -0.55 8.25 7.95 2z8iA1 ILE 325 HA -0.31 0.02 0.31 -0.75 4.18 3.44 2z8iA1 ILE 325 HB -0.36 0.07 0.12 -0.04 1.89 1.67 2z8iA1 ILE 325 HG12 -0.70 -0.00 -0.03 -0.04 1.49 0.72 2z8iA1 ILE 325 HG13 -0.44 0.11 0.08 -0.04 1.21 0.92 2z8iA1 ILE 325 HG23 -0.87 -0.01 -0.15 -0.04 0.93 -0.15 2z8iA1 ILE 325 HD13 -0.56 -0.03 -0.10 -0.04 0.88 0.15 2z8iA1 MET 326 H -0.16 0.55 -0.17 -0.55 8.47 8.14 2z8iA1 MET 326 HA -0.08 0.03 0.45 -0.75 4.52 4.17 2z8iA1 MET 326 HB2 -0.09 0.09 0.11 -0.04 2.15 2.21 2z8iA1 MET 326 HB3 -0.05 -0.05 -0.02 -0.04 2.03 1.86 2z8iA1 MET 326 HG2 -0.05 -0.03 -0.01 -0.04 2.63 2.50 2z8iA1 MET 326 HG3 -0.08 0.07 0.03 -0.04 2.56 2.53 2z8iA1 MET 326 HE3 -0.03 -0.01 -0.06 -0.04 2.10 1.96 2z8iA1 ALA 327 H -0.09 0.66 -0.13 -0.55 8.40 8.30 2z8iA1 ALA 327 HA -0.04 -0.02 0.40 -0.75 4.34 3.92 2z8iA1 ALA 327 HB3 -0.07 0.02 0.09 -0.04 1.41 1.41 2z8iA1 GLU 328 H -0.06 0.59 -0.15 -0.55 8.60 8.43 2z8iA1 GLU 328 HA -0.01 0.00 0.41 -0.75 4.29 3.94 2z8iA1 GLU 328 HB2 -0.03 0.12 0.11 -0.04 2.09 2.25 2z8iA1 GLU 328 HB3 0.12 -0.02 -0.01 -0.04 1.99 2.04 2z8iA1 GLU 328 HG2 -0.05 0.21 0.05 -0.04 2.34 2.51 2z8iA1 GLU 328 HG3 -0.02 0.01 -0.06 -0.04 2.34 2.22 2z8iA1 ALA 329 H -0.01 0.56 -0.12 -0.55 8.40 8.29 2z8iA1 ALA 329 HA 0.16 0.02 0.35 -0.75 4.34 4.11 2z8iA1 ALA 329 HB3 0.01 0.02 0.09 -0.04 1.41 1.49 2z8iA1 GLU 330 H 0.04 0.62 -0.24 -0.55 8.60 8.47 2z8iA1 GLU 330 HA 0.09 -0.05 0.38 -0.75 4.29 3.95 2z8iA1 GLU 330 HB2 0.04 0.20 0.17 -0.04 2.09 2.46 2z8iA1 GLU 330 HB3 0.17 -0.08 -0.01 -0.04 1.99 2.02 2z8iA1 GLU 330 HG2 0.12 -0.09 0.01 -0.04 2.34 2.34 2z8iA1 GLU 330 HG3 0.04 0.03 0.04 -0.04 2.34 2.41 2z8iA1 LYS 331 H 0.01 0.47 -0.25 -0.55 8.42 8.10 2z8iA1 LYS 331 HA -0.01 -0.03 0.36 -0.75 4.32 3.87 2z8iA1 LYS 331 HB2 -0.28 0.21 0.17 -0.04 1.87 1.93 2z8iA1 LYS 331 HB3 -0.26 -0.03 -0.01 -0.04 1.79 1.45 2z8iA1 LYS 331 HG2 -0.10 -0.10 0.04 -0.04 1.46 1.25 2z8iA1 LYS 331 HG3 -0.07 0.24 0.10 -0.04 1.46 1.69 2z8iA1 LYS 331 HD2 -0.12 -0.01 0.05 -0.04 1.69 1.56 2z8iA1 LYS 331 HD3 -0.16 0.04 -0.02 -0.04 1.68 1.50 2z8iA1 LYS 331 HE2 -0.08 -0.10 -0.03 -0.04 2.99 2.74 2z8iA1 LYS 331 HE3 -0.07 -0.01 -0.11 -0.04 2.99 2.75 2z8iA1 TYR 332 H 0.06 0.41 -0.13 -0.55 8.29 8.07 2z8iA1 TYR 332 HA 0.03 0.04 0.36 -0.75 4.56 4.25 2z8iA1 TYR 332 HB2 -0.02 0.14 0.11 -0.04 3.06 3.24 2z8iA1 TYR 332 HB3 -0.01 -0.06 0.02 -0.04 2.98 2.89 2z8iA1 TYR 332 HD2 0.00 0.08 0.04 -0.04 7.15 7.23 2z8iA1 TYR 332 HE2 0.00 -0.02 -0.06 -0.04 6.85 6.72 2z8iA1 ALA 333 H 0.11 0.41 -0.23 -0.55 8.40 8.15 2z8iA1 ALA 333 HA 0.06 0.02 0.42 -0.75 4.34 4.09 2z8iA1 ALA 333 HB3 -0.11 0.02 0.08 -0.04 1.41 1.36 2z8iA1 TYR 334 H 0.08 0.65 -0.04 -0.55 8.29 8.43 2z8iA1 TYR 334 HA -0.23 -0.03 0.45 -0.75 4.56 3.99 2z8iA1 TYR 334 HB2 -0.09 0.15 0.11 -0.04 3.06 3.20 2z8iA1 TYR 334 HB3 -0.08 -0.02 0.00 -0.04 2.98 2.83 2z8iA1 TYR 334 HD2 -0.08 0.16 -0.00 -0.04 7.15 7.19 2z8iA1 TYR 334 HE2 -0.04 -0.02 -0.04 -0.04 6.85 6.70 2z8iA1 ALA 335 H 0.05 0.49 -0.31 -0.55 8.40 8.07 2z8iA1 ALA 335 HA 0.02 0.05 0.42 -0.75 4.34 4.07 2z8iA1 ALA 335 HB3 0.03 0.03 -0.13 -0.04 1.41 1.30 2z8iA1 ASP 336 H 0.10 0.54 -0.15 -0.55 8.40 8.35 2z8iA1 ASP 336 HA 0.21 -0.03 0.46 -0.75 4.63 4.52 2z8iA1 ASP 336 HB2 0.24 0.18 0.22 -0.04 2.71 3.31 2z8iA1 ASP 336 HB3 0.43 -0.08 0.00 -0.04 2.70 3.01 2z8iA1 ARG 337 H -0.08 0.58 -0.15 -0.55 8.46 8.25 2z8iA1 ARG 337 HA 0.32 -0.07 0.35 -0.75 4.34 4.20 2z8iA1 ARG 337 HB2 -0.64 0.02 0.08 -0.04 1.90 1.32 2z8iA1 ARG 337 HB3 -0.10 0.18 0.13 -0.04 1.80 1.97 2z8iA1 ARG 337 HG2 0.07 0.06 -0.19 -0.04 1.67 1.57 2z8iA1 ARG 337 HG3 0.19 -0.11 -0.01 -0.04 1.67 1.71 2z8iA1 ARG 337 HD2 -0.27 -0.03 -0.06 -0.04 3.22 2.83 2z8iA1 ARG 337 HD3 0.08 0.06 -0.05 -0.04 3.22 3.27 2z8iA1 SER 338 H 0.02 0.42 -0.37 -0.55 8.46 7.98 2z8iA1 SER 338 HA 0.02 0.01 0.33 -0.75 4.49 4.09 2z8iA1 SER 338 HB2 -0.00 -0.07 0.11 -0.04 3.95 3.94 2z8iA1 SER 338 HB3 0.02 0.02 0.14 -0.04 3.93 4.07 2z8iA1 GLU 339 H -0.08 0.28 -0.44 -0.55 8.60 7.81 2z8iA1 GLU 339 HA -0.14 0.20 0.99 -0.75 4.29 4.58 2z8iA1 GLU 339 HB2 -0.25 -0.00 0.00 -0.04 2.09 1.80 2z8iA1 GLU 339 HB3 -0.64 0.02 0.15 -0.04 1.99 1.49 2z8iA1 GLU 339 HG2 -0.69 -0.03 -0.02 -0.04 2.34 1.56 2z8iA1 GLU 339 HG3 -0.92 -0.00 -0.26 -0.04 2.34 1.11 2z8iA1 TYR 340 H -0.01 0.50 0.16 -0.55 8.29 8.39 2z8iA1 TYR 340 HA 0.05 0.24 0.87 -0.75 4.56 4.96 2z8iA1 TYR 340 HB2 0.08 0.03 0.00 -0.04 3.06 3.12 2z8iA1 TYR 340 HB3 0.04 -0.08 0.11 -0.04 2.98 3.01 2z8iA1 TYR 340 HD2 0.06 0.04 0.02 -0.04 7.15 7.23 2z8iA1 TYR 340 HE2 0.04 -0.06 -0.01 -0.04 6.85 6.78 2z8iA1 LEU 341 H 0.12 0.36 -0.04 -0.55 8.37 8.26 2z8iA1 LEU 341 HA 0.11 0.11 0.89 -0.75 4.35 4.70 2z8iA1 LEU 341 HB2 0.13 0.26 0.15 -0.04 1.64 2.14 2z8iA1 LEU 341 HB3 0.08 -0.05 -0.14 -0.04 1.64 1.50 2z8iA1 LEU 341 HG 0.18 -0.06 -0.02 -0.04 1.64 1.70 2z8iA1 LEU 341 HD13 -0.02 -0.01 -0.07 -0.04 0.93 0.79 2z8iA1 LEU 341 HD23 0.15 0.03 -0.31 -0.04 0.89 0.72 2z8iA1 GLY 342 H 0.07 0.28 0.14 -0.55 8.43 8.38 2z8iA1 GLY 342 HA2 0.05 0.08 0.34 -0.51 4.01 3.96 2z8iA1 GLY 342 HA3 0.06 0.11 0.23 -0.51 4.01 3.90 2z8iA1 ASP 343 H 0.03 0.17 0.10 -0.55 8.40 8.15 2z8iA1 ASP 343 HA 0.08 0.08 0.49 -0.75 4.63 4.52 2z8iA1 ASP 343 HB2 -0.04 0.07 0.15 -0.04 2.71 2.85 2z8iA1 ASP 343 HB3 0.05 -0.02 0.16 -0.04 2.70 2.85 2z8iA1 PRO 344 HA 0.11 0.40 0.53 -0.51 4.44 4.96 2z8iA1 PRO 344 HB2 0.05 0.02 0.06 -0.04 2.28 2.38 2z8iA1 PRO 344 HB3 0.05 -0.00 0.18 -0.04 2.02 2.21 2z8iA1 PRO 344 HG2 0.07 -0.01 -0.01 -0.04 2.03 2.04 2z8iA1 PRO 344 HG3 0.02 0.25 -0.12 -0.04 2.03 2.14 2z8iA1 PRO 344 HD2 0.09 0.03 0.14 -0.04 3.68 3.90 2z8iA1 PRO 344 HD3 0.05 0.09 0.13 -0.04 3.65 3.89 2z8iA1 ASP 345 H 0.18 0.05 -0.35 -0.55 8.40 7.74 2z8iA1 ASP 345 HA 0.02 0.13 0.52 -0.75 4.63 4.55 2z8iA1 ASP 345 HB2 0.26 -0.02 -0.03 -0.04 2.71 2.88 2z8iA1 ASP 345 HB3 -0.05 0.03 0.08 -0.04 2.70 2.73 2z8iA1 PHE 346 H 0.31 0.33 -0.36 -0.55 8.34 8.07 2z8iA1 PHE 346 HA 0.02 0.19 0.90 -0.75 4.62 4.98 2z8iA1 PHE 346 HB2 0.03 0.02 0.05 -0.04 3.15 3.22 2z8iA1 PHE 346 HB3 0.03 -0.01 -0.01 -0.04 3.06 3.02 2z8iA1 PHE 346 HD2 0.02 -0.09 -0.13 -0.04 7.28 7.04 2z8iA1 PHE 346 HE2 0.02 -0.00 -0.05 -0.04 7.38 7.30 2z8iA1 PHE 346 HZ 0.02 0.01 -0.04 -0.04 7.32 7.27 2z8iA1 VAL 347 H 0.17 0.39 0.09 -0.55 8.24 8.35 2z8iA1 VAL 347 HA 0.10 0.15 0.78 -0.75 4.13 4.40 2z8iA1 VAL 347 HB 0.12 -0.00 -0.23 -0.04 2.12 1.97 2z8iA1 VAL 347 HG13 0.11 0.03 -0.37 -0.04 0.97 0.70 2z8iA1 VAL 347 HG23 0.09 0.05 -0.10 -0.04 0.95 0.95 2z8iA1 LYS 348 H 0.07 0.14 0.07 -0.55 8.42 8.15 2z8iA1 LYS 348 HA 0.09 0.11 0.65 -0.75 4.32 4.41 2z8iA1 LYS 348 HB2 0.05 0.02 0.07 -0.04 1.87 1.97 2z8iA1 LYS 348 HB3 0.05 -0.01 0.14 -0.04 1.79 1.93 2z8iA1 LYS 348 HG2 0.04 -0.01 -0.29 -0.04 1.46 1.16 2z8iA1 LYS 348 HG3 0.07 0.02 0.00 -0.04 1.46 1.51 2z8iA1 LYS 348 HD2 0.02 0.01 -0.01 -0.04 1.69 1.67 2z8iA1 LYS 348 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.60 2z8iA1 LYS 348 HE2 -0.02 -0.01 -0.02 -0.04 2.99 2.90 2z8iA1 LYS 348 HE3 -0.03 -0.04 -0.06 -0.04 2.99 2.82 2z8iA1 VAL 349 H 0.15 0.17 0.23 -0.55 8.24 8.24 2z8iA1 VAL 349 HA 0.12 0.37 0.78 -0.75 4.13 4.66 2z8iA1 VAL 349 HB 0.21 -0.09 0.22 -0.04 2.12 2.41 2z8iA1 VAL 349 HG13 0.13 0.01 -0.11 -0.04 0.97 0.96 2z8iA1 VAL 349 HG23 0.10 0.07 0.01 -0.04 0.95 1.09 2z8iA1 PRO 350 HA -0.17 0.07 0.51 -0.51 4.44 4.33 2z8iA1 PRO 350 HB2 -0.28 -0.10 0.17 -0.04 2.28 2.03 2z8iA1 PRO 350 HB3 -0.17 0.07 0.08 -0.04 2.02 1.96 2z8iA1 PRO 350 HG2 -0.28 -0.02 0.04 -0.04 2.03 1.73 2z8iA1 PRO 350 HG3 -0.45 0.07 0.07 -0.04 2.03 1.68 2z8iA1 PRO 350 HD2 0.11 0.28 0.25 -0.04 3.68 4.27 2z8iA1 PRO 350 HD3 0.06 0.31 0.22 -0.04 3.65 4.20 2z8iA1 TRP 351 H 0.13 0.64 -0.15 -0.55 7.97 8.05 2z8iA1 TRP 351 HA -0.08 0.06 0.27 -0.75 4.62 4.12 2z8iA1 TRP 351 HB2 -0.06 -0.00 0.03 -0.04 3.23 3.16 2z8iA1 TRP 351 HB3 -0.05 0.03 0.05 -0.04 3.23 3.22 2z8iA1 TRP 351 HD1 -0.02 0.21 0.19 -0.04 7.22 7.57 2z8iA1 TRP 351 HE1 -0.01 0.02 0.07 -0.04 10.20 10.24 2z8iA1 TRP 351 HE3 -0.04 -0.02 -0.27 -0.04 7.59 7.22 2z8iA1 TRP 351 HZ2 -0.01 0.01 0.02 -0.04 7.44 7.42 2z8iA1 TRP 351 HZ3 -0.02 0.03 -0.02 -0.04 7.13 7.08 2z8iA1 TRP 351 HH2 -0.01 0.01 0.00 -0.04 7.19 7.16 2z8iA1 GLN 352 H -1.12 0.11 -0.15 -0.55 8.47 6.76 2z8iA1 GLN 352 HA -0.54 0.11 0.41 -0.75 4.36 3.58 2z8iA1 GLN 352 HB2 -0.59 -0.02 0.09 -0.04 2.15 1.59 2z8iA1 GLN 352 HB3 -0.51 0.07 0.03 -0.04 2.02 1.58 2z8iA1 GLN 352 HG2 -0.96 0.05 0.04 -0.04 2.40 1.49 2z8iA1 GLN 352 HG3 -3.32 -0.02 0.02 -0.04 2.39 -0.97 2z8iA1 GLN 352 HE21 -0.27 0.01 0.03 -0.04 6.97 6.71 2z8iA1 GLN 352 HE22 -0.38 0.02 0.03 -0.04 7.69 7.32 2z8iA1 ALA 353 H -0.31 0.05 -0.20 -0.55 8.40 7.39 2z8iA1 ALA 353 HA -0.13 0.16 0.38 -0.75 4.34 4.00 2z8iA1 ALA 353 HB3 -0.25 0.01 -0.05 -0.04 1.41 1.08 2z8iA1 LEU 354 H -0.15 0.47 -0.16 -0.55 8.37 7.98 2z8iA1 LEU 354 HA 0.04 0.02 0.32 -0.75 4.35 3.98 2z8iA1 LEU 354 HB2 0.01 0.03 0.02 -0.04 1.64 1.65 2z8iA1 LEU 354 HB3 0.06 -0.04 -0.05 -0.04 1.64 1.57 2z8iA1 LEU 354 HG -0.19 0.08 -0.00 -0.04 1.64 1.49 2z8iA1 LEU 354 HD13 0.05 -0.03 -0.20 -0.04 0.93 0.71 2z8iA1 LEU 354 HD23 0.09 -0.01 -0.05 -0.04 0.89 0.88 2z8iA1 THR 355 H 0.01 0.38 -0.47 -0.55 8.28 7.65 2z8iA1 THR 355 HA 0.06 0.15 0.79 -0.75 4.39 4.63 2z8iA1 THR 355 HB 0.08 -0.06 0.14 -0.04 4.32 4.44 2z8iA1 THR 355 HG23 0.08 -0.02 -0.07 -0.04 1.22 1.17 2z8iA1 ASN 356 H 0.01 0.43 -0.35 -0.55 8.53 8.07 2z8iA1 ASN 356 HA -0.01 0.02 0.63 -0.75 4.76 4.66 2z8iA1 ASN 356 HB2 -0.05 0.22 0.22 -0.04 2.88 3.24 2z8iA1 ASN 356 HB3 -0.06 0.13 0.30 -0.04 2.79 3.12 2z8iA1 ASN 356 HD21 0.09 -0.03 0.07 -0.04 7.03 7.12 2z8iA1 ASN 356 HD22 0.01 0.17 0.08 -0.04 7.74 7.95 2z8iA1 LYS 357 H 0.00 0.20 0.24 -0.55 8.42 8.31 2z8iA1 LYS 357 HA -0.02 0.14 0.44 -0.75 4.32 4.12 2z8iA1 LYS 357 HB2 0.00 -0.02 0.16 -0.04 1.87 1.97 2z8iA1 LYS 357 HB3 -0.01 0.03 0.06 -0.04 1.79 1.83 2z8iA1 LYS 357 HG2 0.02 0.04 0.10 -0.04 1.46 1.58 2z8iA1 LYS 357 HG3 0.02 0.05 0.14 -0.04 1.46 1.63 2z8iA1 LYS 357 HD2 0.01 -0.03 0.07 -0.04 1.69 1.70 2z8iA1 LYS 357 HD3 0.01 0.01 0.07 -0.04 1.68 1.73 2z8iA1 LYS 357 HE2 0.03 -0.03 0.12 -0.04 2.99 3.06 2z8iA1 LYS 357 HE3 0.02 -0.06 0.07 -0.04 2.99 2.99 2z8iA1 ALA 358 H -0.01 0.11 -0.14 -0.55 8.40 7.82 2z8iA1 ALA 358 HA 0.00 0.11 0.48 -0.75 4.34 4.18 2z8iA1 ALA 358 HB3 0.17 0.03 0.06 -0.04 1.41 1.62 2z8iA1 TYR 359 H -0.27 0.14 -0.25 -0.55 8.29 7.36 2z8iA1 TYR 359 HA -1.07 0.05 0.41 -0.75 4.56 3.19 2z8iA1 TYR 359 HB2 -1.14 -0.04 0.09 -0.04 3.06 1.92 2z8iA1 TYR 359 HB3 -0.39 0.27 0.14 -0.04 2.98 2.96 2z8iA1 TYR 359 HD2 -0.26 0.09 -0.02 -0.04 7.15 6.92 2z8iA1 TYR 359 HE2 0.02 -0.03 -0.08 -0.04 6.85 6.72 2z8iA1 ALA 360 H -0.14 0.46 -0.18 -0.55 8.40 7.99 2z8iA1 ALA 360 HA -0.32 0.03 0.36 -0.75 4.34 3.66 2z8iA1 ALA 360 HB3 -0.07 0.05 -0.09 -0.04 1.41 1.26 2z8iA1 LYS 361 H -0.12 0.40 -0.37 -0.55 8.42 7.78 2z8iA1 LYS 361 HA -0.09 0.03 0.47 -0.75 4.32 3.99 2z8iA1 LYS 361 HB2 -0.05 0.03 0.14 -0.04 1.87 1.94 2z8iA1 LYS 361 HB3 -0.04 0.13 0.21 -0.04 1.79 2.05 2z8iA1 LYS 361 HG2 -0.03 -0.04 0.01 -0.04 1.46 1.36 2z8iA1 LYS 361 HG3 -0.04 0.00 -0.20 -0.04 1.46 1.18 2z8iA1 LYS 361 HD2 -0.09 -0.04 0.12 -0.04 1.69 1.64 2z8iA1 LYS 361 HD3 -0.07 0.01 0.05 -0.04 1.68 1.63 2z8iA1 LYS 361 HE2 -0.05 -0.02 0.00 -0.04 2.99 2.89 2z8iA1 LYS 361 HE3 -0.05 -0.01 -0.01 -0.04 2.99 2.88 2z8iA1 SER 362 H -0.14 0.42 -0.23 -0.55 8.46 7.96 2z8iA1 SER 362 HA -0.03 0.01 0.40 -0.75 4.49 4.12 2z8iA1 SER 362 HB2 0.07 -0.06 0.09 -0.04 3.95 4.00 2z8iA1 SER 362 HB3 0.09 0.03 0.14 -0.04 3.93 4.14 2z8iA1 ILE 363 H -0.29 0.35 -0.38 -0.55 8.25 7.37 2z8iA1 ILE 363 HA -0.42 0.08 0.58 -0.75 4.18 3.67 2z8iA1 ILE 363 HB -0.36 0.13 0.16 -0.04 1.89 1.78 2z8iA1 ILE 363 HG12 -0.55 -0.04 -0.01 -0.04 1.49 0.85 2z8iA1 ILE 363 HG13 -0.66 0.11 -0.01 -0.04 1.21 0.61 2z8iA1 ILE 363 HG23 -0.85 -0.02 -0.10 -0.04 0.93 -0.09 2z8iA1 ILE 363 HD13 -0.65 -0.03 -0.08 -0.04 0.88 0.09 2z8iA1 ALA 364 H -0.13 0.61 0.07 -0.55 8.40 8.40 2z8iA1 ALA 364 HA 0.15 -0.03 0.40 -0.75 4.34 4.11 2z8iA1 ALA 364 HB3 -0.06 0.03 0.16 -0.04 1.41 1.50 2z8iA1 ASP 365 H -0.07 0.48 -0.31 -0.55 8.40 7.94 2z8iA1 ASP 365 HA -0.02 0.04 0.43 -0.75 4.63 4.32 2z8iA1 ASP 365 HB2 -0.03 0.10 0.04 -0.04 2.71 2.77 2z8iA1 ASP 365 HB3 -0.02 -0.07 0.08 -0.04 2.70 2.65 2z8iA1 GLN 366 H -0.06 0.45 -0.61 -0.55 8.47 7.70 2z8iA1 GLN 366 HA 0.02 0.07 0.64 -0.75 4.36 4.34 2z8iA1 GLN 366 HB2 -0.16 0.17 0.11 -0.04 2.15 2.23 2z8iA1 GLN 366 HB3 0.07 -0.10 0.09 -0.04 2.02 2.03 2z8iA1 GLN 366 HG2 0.01 -0.08 0.01 -0.04 2.40 2.30 2z8iA1 GLN 366 HG3 -0.07 0.27 0.09 -0.04 2.39 2.64 2z8iA1 GLN 366 HE21 -0.04 -0.11 -0.04 -0.04 6.97 6.74 2z8iA1 GLN 366 HE22 -0.12 0.34 -0.08 -0.04 7.69 7.78 2z8iA1 ILE 367 H 0.07 0.38 -0.21 -0.55 8.25 7.94 2z8iA1 ILE 367 HA 0.09 0.01 0.55 -0.75 4.18 4.08 2z8iA1 ILE 367 HB 0.25 0.13 0.15 -0.04 1.89 2.38 2z8iA1 ILE 367 HG12 0.12 -0.06 -0.12 -0.04 1.49 1.40 2z8iA1 ILE 367 HG13 0.02 0.21 -0.01 -0.04 1.21 1.39 2z8iA1 ILE 367 HG23 -0.09 -0.05 -0.26 -0.04 0.93 0.49 2z8iA1 ILE 367 HD13 0.03 -0.01 -0.06 -0.04 0.88 0.80 2z8iA1 ASP 368 H 0.04 0.26 0.18 -0.55 8.40 8.33 2z8iA1 ASP 368 HA 0.04 0.13 0.75 -0.75 4.63 4.79 2z8iA1 ASP 368 HB2 0.03 0.13 0.07 -0.04 2.71 2.90 2z8iA1 ASP 368 HB3 0.02 0.30 0.29 -0.04 2.70 3.27 2z8iA1 ILE 369 H 0.03 0.26 0.08 -0.55 8.25 8.08 2z8iA1 ILE 369 HA -0.09 0.08 0.26 -0.75 4.18 3.67 2z8iA1 ILE 369 HB -0.00 0.08 0.07 -0.04 1.89 1.99 2z8iA1 ILE 369 HG12 -0.12 -0.02 0.04 -0.04 1.49 1.35 2z8iA1 ILE 369 HG13 -0.23 0.02 0.10 -0.04 1.21 1.06 2z8iA1 ILE 369 HG23 0.02 0.00 -0.09 -0.04 0.93 0.81 2z8iA1 ILE 369 HD13 -0.24 -0.02 -0.01 -0.04 0.88 0.57 2z8iA1 ASN 370 H -0.00 0.01 -0.54 -0.55 8.53 7.45 2z8iA1 ASN 370 HA -0.03 0.20 0.85 -0.75 4.76 5.03 2z8iA1 ASN 370 HB2 0.00 0.00 -0.03 -0.04 2.88 2.82 2z8iA1 ASN 370 HB3 -0.01 0.01 0.08 -0.04 2.79 2.84 2z8iA1 ASN 370 HD21 0.01 0.00 -0.05 -0.04 7.03 6.95 2z8iA1 ASN 370 HD22 0.01 0.02 -0.03 -0.04 7.74 7.70 2z8iA1 LYS 371 H -0.01 0.41 -0.22 -0.55 8.42 8.05 2z8iA1 LYS 371 HA -0.02 0.07 0.70 -0.75 4.32 4.32 2z8iA1 LYS 371 HB2 -0.00 0.01 -0.26 -0.04 1.87 1.57 2z8iA1 LYS 371 HB3 0.00 -0.03 0.03 -0.04 1.79 1.75 2z8iA1 LYS 371 HG2 -0.00 0.18 -0.22 -0.04 1.46 1.37 2z8iA1 LYS 371 HG3 -0.01 -0.02 0.05 -0.04 1.46 1.44 2z8iA1 LYS 371 HD2 0.00 -0.03 -0.03 -0.04 1.69 1.58 2z8iA1 LYS 371 HD3 0.01 -0.01 -0.05 -0.04 1.68 1.58 2z8iA1 LYS 371 HE2 -0.00 0.06 -0.02 -0.04 2.99 2.99 2z8iA1 LYS 371 HE3 -0.00 -0.02 0.00 -0.04 2.99 2.92 2z8iA1 ALA 372 H -0.02 0.09 0.06 -0.55 8.40 7.98 2z8iA1 ALA 372 HA -0.02 0.09 0.49 -0.75 4.34 4.14 2z8iA1 ALA 372 HB3 -0.04 0.00 0.00 -0.04 1.41 1.34 2z8iA1 LYS 373 H -0.01 0.14 0.14 -0.55 8.42 8.14 2z8iA1 LYS 373 HA -0.01 0.19 0.82 -0.75 4.32 4.57 2z8iA1 LYS 373 HB2 0.04 0.06 0.06 -0.04 1.87 1.99 2z8iA1 LYS 373 HB3 -0.01 -0.05 0.12 -0.04 1.79 1.82 2z8iA1 LYS 373 HG2 -0.03 0.11 -0.29 -0.04 1.46 1.21 2z8iA1 LYS 373 HG3 0.01 -0.02 0.00 -0.04 1.46 1.41 2z8iA1 LYS 373 HD2 0.04 -0.05 -0.10 -0.04 1.69 1.54 2z8iA1 LYS 373 HD3 0.04 0.11 -0.14 -0.04 1.68 1.64 2z8iA1 LYS 373 HE2 0.07 -0.03 0.01 -0.04 2.99 2.99 2z8iA1 LYS 373 HE3 0.12 0.04 0.02 -0.04 2.99 3.12 2z8iA1 PRO 374 HA -0.04 0.02 0.38 -0.51 4.44 4.28 2z8iA1 PRO 374 HB2 -0.02 -0.04 0.02 -0.04 2.28 2.19 2z8iA1 PRO 374 HB3 -0.03 0.02 0.09 -0.04 2.02 2.06 2z8iA1 PRO 374 HG2 -0.01 0.05 0.07 -0.04 2.03 2.09 2z8iA1 PRO 374 HG3 -0.02 0.06 0.05 -0.04 2.03 2.08 2z8iA1 PRO 374 HD2 -0.01 0.09 0.17 -0.04 3.68 3.89 2z8iA1 PRO 374 HD3 -0.01 0.35 0.29 -0.04 3.65 4.24 2z8iA1 SER 375 H -0.06 0.14 0.18 -0.55 8.46 8.17 2z8iA1 SER 375 HA -0.10 0.15 0.40 -0.75 4.49 4.19 2z8iA1 SER 375 HB2 -0.06 -0.05 0.09 -0.04 3.95 3.90 2z8iA1 SER 375 HB3 -0.06 0.08 0.06 -0.04 3.93 3.97 2z8iA1 SER 376 H -0.04 -0.00 -0.35 -0.55 8.46 7.52 2z8iA1 SER 376 HA -0.02 0.12 0.39 -0.75 4.49 4.22 2z8iA1 SER 376 HB2 -0.01 0.04 0.04 -0.04 3.95 3.97 2z8iA1 SER 376 HB3 -0.02 -0.03 0.05 -0.04 3.93 3.90 2z8iA1 GLU 377 H -0.03 0.48 -0.55 -0.55 8.60 7.95 2z8iA1 GLU 377 HA -0.00 0.15 0.73 -0.75 4.29 4.41 2z8iA1 GLU 377 HB2 -0.01 0.13 -0.03 -0.04 2.09 2.14 2z8iA1 GLU 377 HB3 0.01 -0.03 0.11 -0.04 1.99 2.04 2z8iA1 GLU 377 HG2 0.00 0.02 -0.10 -0.04 2.34 2.21 2z8iA1 GLU 377 HG3 -0.01 -0.13 -0.15 -0.04 2.34 2.00 2z8iA1 ILE 378 H -0.05 0.47 -0.34 -0.55 8.25 7.78 2z8iA1 ILE 378 HA -0.01 0.14 0.96 -0.75 4.18 4.51 2z8iA1 ILE 378 HB -0.15 0.01 0.11 -0.04 1.89 1.82 2z8iA1 ILE 378 HG12 -0.16 0.05 -0.30 -0.04 1.49 1.04 2z8iA1 ILE 378 HG13 -0.49 -0.05 -0.12 -0.04 1.21 0.50 2z8iA1 ILE 378 HG23 -0.23 -0.02 -0.26 -0.04 0.93 0.37 2z8iA1 ILE 378 HD13 -0.14 0.05 -0.09 -0.04 0.88 0.66 2z8iA1 ARG 379 H 0.06 0.18 0.08 -0.55 8.46 8.23 2z8iA1 ARG 379 HA 0.02 0.20 0.81 -0.75 4.34 4.62 2z8iA1 ARG 379 HB2 0.06 -0.02 -0.05 -0.04 1.90 1.85 2z8iA1 ARG 379 HB3 0.04 0.05 0.06 -0.04 1.80 1.91 2z8iA1 ARG 379 HG2 0.02 -0.04 -0.44 -0.04 1.67 1.18 2z8iA1 ARG 379 HG3 0.02 -0.04 -0.10 -0.04 1.67 1.51 2z8iA1 ARG 379 HD2 0.00 0.24 -0.07 -0.04 3.22 3.34 2z8iA1 ARG 379 HD3 0.00 -0.03 -0.11 -0.04 3.22 3.05 2z8iA1 PRO 380 HA 0.16 -0.05 0.25 -0.51 4.44 4.30 2z8iA1 PRO 380 HB2 -0.02 0.01 0.03 -0.04 2.28 2.26 2z8iA1 PRO 380 HB3 -0.13 -0.01 0.06 -0.04 2.02 1.91 2z8iA1 PRO 380 HG2 -0.10 0.02 0.05 -0.04 2.03 1.95 2z8iA1 PRO 380 HG3 -0.04 0.29 0.02 -0.04 2.03 2.25 2z8iA1 PRO 380 HD2 0.01 0.07 0.16 -0.04 3.68 3.87 2z8iA1 PRO 380 HD3 0.00 0.14 0.17 -0.04 3.65 3.92 2z8iA1 GLY 381 H 0.35 0.03 0.13 -0.55 8.43 8.40 2z8iA1 GLY 381 HA2 0.26 0.10 0.32 -0.51 4.01 4.18 2z8iA1 GLY 381 HA3 0.40 0.01 0.26 -0.51 4.01 4.17 2z8iA1 LYS 382 H 0.20 0.19 0.09 -0.55 8.42 8.34 2z8iA1 LYS 382 HA 0.10 0.12 0.72 -0.75 4.32 4.51 2z8iA1 LYS 382 HB2 0.11 0.01 0.20 -0.04 1.87 2.15 2z8iA1 LYS 382 HB3 0.05 -0.05 0.06 -0.04 1.79 1.81 2z8iA1 LYS 382 HG2 0.11 0.04 -0.01 -0.04 1.46 1.56 2z8iA1 LYS 382 HG3 0.07 0.00 0.02 -0.04 1.46 1.51 2z8iA1 LYS 382 HD2 0.06 -0.07 0.01 -0.04 1.69 1.65 2z8iA1 LYS 382 HD3 0.10 0.11 -0.11 -0.04 1.68 1.75 2z8iA1 LYS 382 HE2 0.06 0.00 -0.03 -0.04 2.99 2.97 2z8iA1 LYS 382 HE3 0.07 0.07 -0.06 -0.04 2.99 3.03 2z8iA1 LEU 383 H -0.04 0.26 0.05 -0.55 8.37 8.09 2z8iA1 LEU 383 HA -0.12 0.17 0.47 -0.75 4.35 4.11 2z8iA1 LEU 383 HB2 -0.25 0.03 -0.01 -0.04 1.64 1.37 2z8iA1 LEU 383 HB3 -0.29 -0.06 -0.02 -0.04 1.64 1.23 2z8iA1 LEU 383 HG -0.40 0.15 -0.12 -0.04 1.64 1.24 2z8iA1 LEU 383 HD13 -0.92 0.00 -0.02 -0.04 0.93 -0.05 2z8iA1 LEU 383 HD23 -0.71 -0.01 -0.27 -0.04 0.89 -0.14 2z8iA1 ALA 384 H -0.05 0.09 -0.12 -0.55 8.40 7.78 2z8iA1 ALA 384 HA -0.08 0.01 0.33 -0.75 4.34 3.84 2z8iA1 ALA 384 HB3 -0.05 0.03 0.03 -0.04 1.41 1.38 2z8iA1 PRO 385 HA -0.24 0.08 0.48 -0.51 4.44 4.25 2z8iA1 PRO 385 HB2 -0.65 0.03 0.04 -0.04 2.28 1.65 2z8iA1 PRO 385 HB3 -0.26 -0.00 0.06 -0.04 2.02 1.78 2z8iA1 PRO 385 HG2 -0.81 0.08 -0.10 -0.04 2.03 1.16 2z8iA1 PRO 385 HG3 -0.21 0.04 -0.01 -0.04 2.03 1.80 2z8iA1 PRO 385 HD2 -0.09 0.06 -0.53 -0.04 3.68 3.08 2z8iA1 PRO 385 HD3 -0.11 0.06 -0.03 -0.04 3.65 3.53 2z8iA1 TYR 386 H -0.17 0.76 -0.38 -0.55 8.29 7.94 2z8iA1 TYR 386 HA -0.07 0.18 0.91 -0.75 4.56 4.82 2z8iA1 TYR 386 HB2 -0.22 0.05 0.07 -0.04 3.06 2.91 2z8iA1 TYR 386 HB3 -0.10 -0.06 0.18 -0.04 2.98 2.96 2z8iA1 TYR 386 HD2 -0.10 0.01 -0.03 -0.04 7.15 6.99 2z8iA1 TYR 386 HE2 0.09 0.03 -0.13 -0.04 6.85 6.80 2z8iA1 GLU 387 H -0.10 0.36 -0.13 -0.55 8.60 8.19 2z8iA1 GLU 387 HA -0.13 0.12 0.59 -0.75 4.29 4.11 2z8iA1 GLU 387 HB2 -0.10 0.10 0.07 -0.04 2.09 2.13 2z8iA1 GLU 387 HB3 -0.12 -0.02 0.04 -0.04 1.99 1.85 2z8iA1 GLU 387 HG2 -0.17 -0.08 -0.15 -0.04 2.34 1.90 2z8iA1 GLU 387 HG3 -0.12 0.16 -0.32 -0.04 2.34 2.02