============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. PHE 20 1.000 45.381 14.913 33.368 -99.200 -91.000 TYR 34 0.840 41.418 22.988 40.671 -99.200 -91.000 TYR 42 0.840 42.190 9.327 41.101 -99.200 -91.000 HIS 43 0.900 39.416 16.543 37.015 -99.200 -91.000 TYR 45 0.840 44.145 16.441 44.366 -99.200 -91.000 TYR 51 0.840 47.982 25.994 36.741 -99.200 -91.000 TYR 63 0.840 35.368 21.303 34.288 -99.200 -91.000 HIS 76 0.900 50.178 28.327 34.588 -99.200 -91.000 HIS 82 0.900 42.592 14.564 23.888 -99.200 -91.000 TYR 85 0.840 34.277 11.175 27.135 -99.200 -91.000 PHE 87 1.000 32.567 18.539 30.252 -99.200 -91.000 PHE 94 1.000 38.809 24.734 23.722 -99.200 -91.000 PHE 105 1.000 40.127 21.110 19.125 -99.200 -91.000 HIS 112 0.900 38.015 17.670 8.666 -99.200 -91.000 PHE 116 1.000 31.825 14.774 9.059 -99.200 -91.000 HIS 124 0.900 23.136 18.295 1.310 -99.200 -91.000 PHE 150 1.000 10.028 8.085 1.901 -99.200 -91.000 HIS 154 0.900 12.802 5.486 -0.550 -99.200 -91.000 TYR 156 0.840 3.960 1.229 3.612 -99.200 -91.000 PHE 184 1.000 -0.766 13.413 4.551 -99.200 -91.000 PHE 195 1.000 4.707 19.555 17.813 -99.200 -91.000 TYR 201 0.840 10.537 18.040 7.151 -99.200 -91.000 HIS 211 0.900 24.375 3.305 17.076 -99.200 -91.000 TYR 220 0.840 47.470 18.035 10.696 -99.200 -91.000 HIS 226 0.900 38.944 -0.777 8.706 -99.200 -91.000 TYR 228 0.840 39.243 -4.926 11.331 -99.200 -91.000 HIS 238 0.900 15.818 5.421 21.273 -99.200 -91.000 TYR 271 0.840 37.837 13.176 11.467 -99.200 -91.000 PHE 279 1.000 28.631 3.391 8.332 -99.200 -91.000 PHE 286 1.000 26.984 -0.098 4.508 -99.200 -91.000 TYR 287 0.840 19.690 1.698 5.245 -99.200 -91.000 PHE 288 1.000 26.645 9.630 7.912 -99.200 -91.000 HIS 299 0.900 39.384 5.859 24.395 -99.200 -91.000 HIS 324 0.900 50.162 3.901 7.604 -99.200 -91.000 HIS 326 0.900 60.963 4.924 11.825 -99.200 -91.000 TYR 341 0.840 34.832 -11.764 19.869 -99.200 -91.000 PHE 356 1.000 18.030 2.518 35.135 -99.200 -91.000 TYR 366 0.840 35.251 2.356 44.301 -99.200 -91.000 PHE 372 1.000 45.512 -11.199 30.134 -99.200 -91.000 PHE 382 1.000 38.396 9.443 45.584 -99.200 -91.000 TYR 390 0.840 26.840 20.939 41.622 -99.200 -91.000 TYR 391 0.840 30.907 18.590 37.155 -99.200 -91.000 TRP 401 1.040 41.351 -8.780 24.325 -99.200 -91.000 TRP6 401 1.020 42.686 -10.643 24.897 -99.200 -91.000 PHE 405 1.000 30.119 -11.591 23.472 -99.200 -91.000 PHE 419 1.000 33.638 -2.572 40.166 -99.200 -91.000 PHE 430 1.000 19.786 -1.654 33.113 -99.200 -91.000 HIS 437 0.900 18.131 -11.899 28.705 -99.200 -91.000 PHE 440 1.000 26.531 -8.813 26.215 -99.200 -91.000 TYR 445 0.840 24.122 -7.917 21.228 -99.200 -91.000 PHE 449 1.000 19.687 -7.453 25.619 -99.200 -91.000 PHE 457 1.000 14.680 -1.891 32.475 -99.200 -91.000 PHE 459 1.000 17.237 -3.944 38.920 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dzdA1 THR 3 HA 0.00 -0.13 0.19 -0.75 4.39 3.70 2dzdA1 THR 3 HB -0.01 -0.00 -0.05 -0.04 4.32 4.21 2dzdA1 THR 3 HG23 0.00 0.08 -0.04 -0.04 1.22 1.22 2dzdA1 ARG 4 H 0.01 0.00 0.09 -0.55 8.46 8.00 2dzdA1 ARG 4 HA 0.01 0.13 0.65 -0.75 4.34 4.37 2dzdA1 ARG 4 HB2 0.01 -0.01 0.10 -0.04 1.90 1.96 2dzdA1 ARG 4 HB3 0.01 0.01 0.02 -0.04 1.80 1.81 2dzdA1 ARG 4 HG2 0.02 -0.00 0.06 -0.04 1.67 1.71 2dzdA1 ARG 4 HG3 0.02 -0.03 0.05 -0.04 1.67 1.67 2dzdA1 ARG 4 HD2 0.02 0.02 0.04 -0.04 3.22 3.26 2dzdA1 ARG 4 HD3 0.03 -0.07 -0.01 -0.04 3.22 3.13 2dzdA1 ARG 5 H 0.00 0.09 0.25 -0.55 8.46 8.25 2dzdA1 ARG 5 HA 0.00 0.21 0.90 -0.75 4.34 4.70 2dzdA1 ARG 5 HB2 -0.00 -0.01 0.10 -0.04 1.90 1.95 2dzdA1 ARG 5 HB3 -0.00 -0.03 0.07 -0.04 1.80 1.80 2dzdA1 ARG 5 HG2 -0.01 -0.02 -0.08 -0.04 1.67 1.52 2dzdA1 ARG 5 HG3 -0.01 0.26 -0.08 -0.04 1.67 1.79 2dzdA1 ARG 5 HD2 -0.01 -0.02 0.03 -0.04 3.22 3.18 2dzdA1 ARG 5 HD3 -0.02 -0.03 0.00 -0.04 3.22 3.13 2dzdA1 ILE 6 H 0.01 0.04 0.04 -0.55 8.25 7.79 2dzdA1 ILE 6 HA 0.02 0.04 0.24 -0.75 4.18 3.72 2dzdA1 ILE 6 HB 0.03 0.01 0.09 -0.04 1.89 1.98 2dzdA1 ILE 6 HG12 0.02 0.05 -0.16 -0.04 1.49 1.36 2dzdA1 ILE 6 HG13 0.02 -0.07 0.02 -0.04 1.21 1.14 2dzdA1 ILE 6 HG23 0.04 0.00 -0.31 -0.04 0.93 0.62 2dzdA1 ILE 6 HD13 0.03 0.02 -0.17 -0.04 0.88 0.73 2dzdA1 ARG 7 H 0.02 0.16 0.33 -0.55 8.46 8.41 2dzdA1 ARG 7 HA 0.02 0.19 0.76 -0.75 4.34 4.55 2dzdA1 ARG 7 HB2 0.01 0.06 0.08 -0.04 1.90 2.01 2dzdA1 ARG 7 HB3 0.02 0.02 0.17 -0.04 1.80 1.96 2dzdA1 ARG 7 HG2 0.01 -0.05 -0.02 -0.04 1.67 1.57 2dzdA1 ARG 7 HG3 0.01 0.02 0.07 -0.04 1.67 1.73 2dzdA1 ARG 7 HD2 0.01 -0.04 0.01 -0.04 3.22 3.16 2dzdA1 ARG 7 HD3 0.01 0.01 0.02 -0.04 3.22 3.21 2dzdA1 LYS 8 H 0.03 0.07 0.24 -0.55 8.42 8.21 2dzdA1 LYS 8 HA 0.03 0.26 0.97 -0.75 4.32 4.83 2dzdA1 LYS 8 HB2 0.03 -0.00 -0.09 -0.04 1.87 1.77 2dzdA1 LYS 8 HB3 0.04 0.14 0.14 -0.04 1.79 2.07 2dzdA1 LYS 8 HG2 0.05 -0.07 -0.46 -0.04 1.46 0.94 2dzdA1 LYS 8 HG3 0.03 -0.07 -0.33 -0.04 1.46 1.04 2dzdA1 LYS 8 HD2 0.07 0.13 -0.31 -0.04 1.69 1.53 2dzdA1 LYS 8 HD3 0.07 -0.06 -0.26 -0.04 1.68 1.38 2dzdA1 LYS 8 HE2 0.03 -0.11 -0.10 -0.04 2.99 2.76 2dzdA1 LYS 8 HE3 0.04 0.03 -0.07 -0.04 2.99 2.95 2dzdA1 VAL 9 H 0.05 0.82 0.26 -0.55 8.24 8.83 2dzdA1 VAL 9 HA 0.07 0.22 1.13 -0.75 4.13 4.80 2dzdA1 VAL 9 HB 0.09 0.04 0.02 -0.04 2.12 2.23 2dzdA1 VAL 9 HG13 0.12 -0.02 -0.29 -0.04 0.97 0.74 2dzdA1 VAL 9 HG23 0.06 -0.01 -0.25 -0.04 0.95 0.72 2dzdA1 LEU 10 H 0.10 0.51 0.32 -0.55 8.37 8.76 2dzdA1 LEU 10 HA 0.15 0.18 1.10 -0.75 4.35 5.03 2dzdA1 LEU 10 HB2 0.12 0.04 -0.05 -0.04 1.64 1.71 2dzdA1 LEU 10 HB3 0.12 -0.04 0.07 -0.04 1.64 1.75 2dzdA1 LEU 10 HG 0.16 0.26 -0.15 -0.04 1.64 1.87 2dzdA1 LEU 10 HD13 0.14 -0.01 -0.22 -0.04 0.93 0.81 2dzdA1 LEU 10 HD23 0.16 -0.06 -0.47 -0.04 0.89 0.48 2dzdA1 VAL 11 H 0.26 0.49 0.24 -0.55 8.24 8.67 2dzdA1 VAL 11 HA 0.10 0.23 1.01 -0.75 4.13 4.73 2dzdA1 VAL 11 HB 0.03 -0.02 0.14 -0.04 2.12 2.23 2dzdA1 VAL 11 HG13 -0.19 -0.04 -0.22 -0.04 0.97 0.48 2dzdA1 VAL 11 HG23 -0.01 0.01 -0.11 -0.04 0.95 0.80 2dzdA1 ALA 12 H 0.10 0.52 0.09 -0.55 8.40 8.57 2dzdA1 ALA 12 HA 0.08 0.11 0.66 -0.75 4.34 4.43 2dzdA1 ALA 12 HB3 0.09 -0.00 0.06 -0.04 1.41 1.51 2dzdA1 ASN 13 H -0.03 0.55 0.04 -0.55 8.53 8.54 2dzdA1 ASN 13 HA -0.59 0.06 0.40 -0.75 4.76 3.87 2dzdA1 ASN 13 HB2 -0.16 0.14 -0.77 -0.04 2.88 2.05 2dzdA1 ASN 13 HB3 -0.28 -0.07 -0.25 -0.04 2.79 2.15 2dzdA1 ASN 13 HD21 0.17 0.30 0.04 -0.04 7.03 7.50 2dzdA1 ASN 13 HD22 -0.03 0.25 -0.13 -0.04 7.74 7.80 2dzdA1 ARG 14 H -0.51 0.24 0.16 -0.55 8.46 7.80 2dzdA1 ARG 14 HA -1.23 0.23 0.80 -0.75 4.34 3.38 2dzdA1 ARG 14 HB2 -0.75 -0.09 0.12 -0.04 1.90 1.14 2dzdA1 ARG 14 HB3 -0.82 0.17 -0.17 -0.04 1.80 0.94 2dzdA1 ARG 14 HG2 -1.26 0.06 -0.10 -0.04 1.67 0.33 2dzdA1 ARG 14 HG3 -0.48 -0.05 -0.11 -0.04 1.67 0.99 2dzdA1 ARG 14 HD2 -0.81 0.01 -0.04 -0.04 3.22 2.33 2dzdA1 ARG 14 HD3 -1.06 0.06 -0.07 -0.04 3.22 2.11 2dzdA1 GLY 15 H -0.75 0.12 0.16 -0.55 8.43 7.41 2dzdA1 GLY 15 HA2 0.01 0.12 0.37 -0.51 4.01 3.99 2dzdA1 GLY 15 HA3 -0.11 0.03 0.29 -0.51 4.01 3.70 2dzdA1 GLU 16 H 0.02 0.11 0.20 -0.55 8.60 8.38 2dzdA1 GLU 16 HA 0.05 0.30 0.21 -0.75 4.29 4.09 2dzdA1 GLU 16 HB2 0.08 0.02 -0.20 -0.04 2.09 1.95 2dzdA1 GLU 16 HB3 0.08 -0.00 -0.27 -0.04 1.99 1.76 2dzdA1 GLU 16 HG2 0.12 0.03 -0.04 -0.04 2.34 2.40 2dzdA1 GLU 16 HG3 0.08 -0.20 0.09 -0.04 2.34 2.26 2dzdA1 ILE 17 H -0.12 0.13 -0.18 -0.55 8.25 7.54 2dzdA1 ILE 17 HA -0.05 0.08 0.33 -0.75 4.18 3.79 2dzdA1 ILE 17 HB -0.36 -0.01 0.03 -0.04 1.89 1.52 2dzdA1 ILE 17 HG12 -0.43 -0.06 -0.09 -0.04 1.49 0.86 2dzdA1 ILE 17 HG13 -0.27 0.02 -0.15 -0.04 1.21 0.77 2dzdA1 ILE 17 HG23 -0.49 0.05 -0.09 -0.04 0.93 0.36 2dzdA1 ILE 17 HD13 0.05 0.01 -0.04 -0.04 0.88 0.86 2dzdA1 ALA 18 H -0.31 0.29 -0.39 -0.55 8.40 7.44 2dzdA1 ALA 18 HA -0.55 0.06 0.43 -0.75 4.34 3.53 2dzdA1 ALA 18 HB3 -0.44 0.02 -0.23 -0.04 1.41 0.73 2dzdA1 ILE 19 H -0.22 0.43 -0.16 -0.55 8.25 7.75 2dzdA1 ILE 19 HA -0.03 0.07 0.33 -0.75 4.18 3.79 2dzdA1 ILE 19 HB 0.00 0.14 0.10 -0.04 1.89 2.09 2dzdA1 ILE 19 HG12 -0.01 0.10 -0.07 -0.04 1.49 1.47 2dzdA1 ILE 19 HG13 0.11 0.13 -0.06 -0.04 1.21 1.35 2dzdA1 ILE 19 HG23 0.05 0.00 -0.05 -0.04 0.93 0.89 2dzdA1 ILE 19 HD13 -0.03 -0.02 -0.12 -0.04 0.88 0.67 2dzdA1 ARG 20 H -0.11 0.63 -0.16 -0.55 8.46 8.27 2dzdA1 ARG 20 HA 0.00 0.02 0.34 -0.75 4.34 3.95 2dzdA1 ARG 20 HB2 0.04 -0.01 0.06 -0.04 1.90 1.96 2dzdA1 ARG 20 HB3 -0.06 0.09 0.14 -0.04 1.80 1.93 2dzdA1 ARG 20 HG2 0.14 -0.05 -0.08 -0.04 1.67 1.64 2dzdA1 ARG 20 HG3 -0.01 -0.00 -0.39 -0.04 1.67 1.24 2dzdA1 ARG 20 HD2 0.07 0.03 0.03 -0.04 3.22 3.31 2dzdA1 ARG 20 HD3 0.13 0.00 -0.03 -0.04 3.22 3.28 2dzdA1 VAL 21 H -0.29 0.43 -0.31 -0.55 8.24 7.51 2dzdA1 VAL 21 HA -0.15 -0.02 0.40 -0.75 4.13 3.61 2dzdA1 VAL 21 HB -0.38 0.09 0.05 -0.04 2.12 1.84 2dzdA1 VAL 21 HG13 -0.22 -0.01 -0.09 -0.04 0.97 0.62 2dzdA1 VAL 21 HG23 -0.63 0.02 -0.02 -0.04 0.95 0.28 2dzdA1 PHE 22 H -0.22 0.47 -0.24 -0.55 8.34 7.80 2dzdA1 PHE 22 HA -0.03 0.03 0.49 -0.75 4.62 4.36 2dzdA1 PHE 22 HB2 -0.04 0.12 0.15 -0.04 3.15 3.34 2dzdA1 PHE 22 HB3 -0.04 0.11 -0.01 -0.04 3.06 3.09 2dzdA1 PHE 22 HD2 -0.04 -0.02 -0.19 -0.04 7.28 6.98 2dzdA1 PHE 22 HE2 0.02 0.04 -0.15 -0.04 7.38 7.25 2dzdA1 PHE 22 HZ 0.05 -0.04 -0.09 -0.04 7.32 7.20 2dzdA1 ARG 23 H 0.09 0.45 -0.14 -0.55 8.46 8.31 2dzdA1 ARG 23 HA 0.06 0.06 0.39 -0.75 4.34 4.10 2dzdA1 ARG 23 HB2 0.04 0.08 0.13 -0.04 1.90 2.11 2dzdA1 ARG 23 HB3 0.04 -0.02 -0.01 -0.04 1.80 1.77 2dzdA1 ARG 23 HG2 0.06 0.00 0.03 -0.04 1.67 1.72 2dzdA1 ARG 23 HG3 0.06 0.19 0.04 -0.04 1.67 1.92 2dzdA1 ARG 23 HD2 0.04 0.00 -0.00 -0.04 3.22 3.22 2dzdA1 ARG 23 HD3 0.06 -0.01 -0.01 -0.04 3.22 3.21 2dzdA1 ALA 24 H 0.02 0.36 -0.14 -0.55 8.40 8.10 2dzdA1 ALA 24 HA 0.03 -0.00 0.33 -0.75 4.34 3.94 2dzdA1 ALA 24 HB3 0.00 0.01 -0.05 -0.04 1.41 1.33 2dzdA1 CYS 25 H 0.06 0.42 -0.42 -0.55 8.50 8.01 2dzdA1 CYS 25 HA 0.04 0.00 0.42 -0.75 4.58 4.29 2dzdA1 CYS 25 HB2 0.10 0.11 0.17 -0.04 2.97 3.31 2dzdA1 CYS 25 HB3 0.05 0.19 -0.14 -0.04 2.97 3.03 2dzdA1 THR 26 H 0.05 0.58 0.03 -0.55 8.28 8.39 2dzdA1 THR 26 HA 0.01 0.10 0.37 -0.75 4.39 4.12 2dzdA1 THR 26 HB 0.02 0.01 0.18 -0.04 4.32 4.49 2dzdA1 THR 26 HG23 0.00 -0.02 -0.05 -0.04 1.22 1.11 2dzdA1 GLU 27 H 0.03 0.67 -0.09 -0.55 8.60 8.66 2dzdA1 GLU 27 HA 0.02 -0.01 0.41 -0.75 4.29 3.95 2dzdA1 GLU 27 HB2 0.02 0.09 0.09 -0.04 2.09 2.26 2dzdA1 GLU 27 HB3 0.02 -0.04 -0.03 -0.04 1.99 1.90 2dzdA1 GLU 27 HG2 0.02 -0.04 0.02 -0.04 2.34 2.30 2dzdA1 GLU 27 HG3 0.02 0.01 0.04 -0.04 2.34 2.37 2dzdA1 LEU 28 H 0.02 0.33 -0.43 -0.55 8.37 7.75 2dzdA1 LEU 28 HA 0.02 0.07 0.59 -0.75 4.35 4.27 2dzdA1 LEU 28 HB2 0.03 0.09 0.15 -0.04 1.64 1.86 2dzdA1 LEU 28 HB3 0.03 -0.05 0.10 -0.04 1.64 1.67 2dzdA1 LEU 28 HG 0.03 -0.00 -0.00 -0.04 1.64 1.62 2dzdA1 LEU 28 HD13 0.03 -0.02 -0.02 -0.04 0.93 0.88 2dzdA1 LEU 28 HD23 0.02 -0.01 -0.01 -0.04 0.89 0.86 2dzdA1 GLY 29 H 0.02 0.44 -0.31 -0.55 8.43 8.03 2dzdA1 GLY 29 HA2 0.01 -0.00 0.29 -0.51 4.01 3.80 2dzdA1 GLY 29 HA3 0.01 0.04 0.51 -0.51 4.01 4.05 2dzdA1 ILE 30 H 0.02 0.55 -0.02 -0.55 8.25 8.25 2dzdA1 ILE 30 HA 0.02 0.27 0.77 -0.75 4.18 4.48 2dzdA1 ILE 30 HB 0.03 -0.13 0.00 -0.04 1.89 1.75 2dzdA1 ILE 30 HG12 0.02 0.18 -0.16 -0.04 1.49 1.49 2dzdA1 ILE 30 HG13 0.02 0.02 -0.35 -0.04 1.21 0.86 2dzdA1 ILE 30 HG23 0.03 0.05 -0.37 -0.04 0.93 0.60 2dzdA1 ILE 30 HD13 0.04 -0.05 -0.12 -0.04 0.88 0.70 2dzdA1 ARG 31 H 0.01 0.45 0.33 -0.55 8.46 8.70 2dzdA1 ARG 31 HA -0.02 0.05 0.59 -0.75 4.34 4.21 2dzdA1 ARG 31 HB2 0.01 0.01 0.12 -0.04 1.90 2.00 2dzdA1 ARG 31 HB3 -0.01 -0.00 0.06 -0.04 1.80 1.80 2dzdA1 ARG 31 HG2 -0.00 0.04 0.03 -0.04 1.67 1.69 2dzdA1 ARG 31 HG3 0.00 0.02 0.04 -0.04 1.67 1.68 2dzdA1 ARG 31 HD2 -0.01 -0.00 0.02 -0.04 3.22 3.18 2dzdA1 ARG 31 HD3 -0.03 -0.03 0.07 -0.04 3.22 3.19 2dzdA1 THR 32 H -0.07 0.10 0.26 -0.55 8.28 8.02 2dzdA1 THR 32 HA 0.02 0.43 1.22 -0.75 4.39 5.31 2dzdA1 THR 32 HB -0.27 -0.03 0.06 -0.04 4.32 4.04 2dzdA1 THR 32 HG23 0.05 0.05 -0.08 -0.04 1.22 1.20 2dzdA1 VAL 33 H 0.07 0.51 0.44 -0.55 8.24 8.71 2dzdA1 VAL 33 HA -0.08 0.31 0.92 -0.75 4.13 4.54 2dzdA1 VAL 33 HB 0.12 -0.15 0.06 -0.04 2.12 2.11 2dzdA1 VAL 33 HG13 0.20 0.02 -0.20 -0.04 0.97 0.94 2dzdA1 VAL 33 HG23 0.08 0.02 -0.31 -0.04 0.95 0.70 2dzdA1 ALA 34 H -0.10 0.52 0.27 -0.55 8.40 8.54 2dzdA1 ALA 34 HA 0.34 0.15 0.97 -0.75 4.34 5.03 2dzdA1 ALA 34 HB3 0.19 0.01 -0.01 -0.04 1.41 1.56 2dzdA1 ILE 35 H 0.24 0.27 0.30 -0.55 8.25 8.51 2dzdA1 ILE 35 HA 0.05 0.37 1.01 -0.75 4.18 4.86 2dzdA1 ILE 35 HB -0.06 -0.02 0.07 -0.04 1.89 1.83 2dzdA1 ILE 35 HG12 0.16 0.10 0.23 -0.04 1.49 1.94 2dzdA1 ILE 35 HG13 0.23 -0.05 -0.14 -0.04 1.21 1.21 2dzdA1 ILE 35 HG23 0.10 0.01 -0.14 -0.04 0.93 0.86 2dzdA1 ILE 35 HD13 0.03 -0.02 -0.06 -0.04 0.88 0.79 2dzdA1 TYR 36 H -0.38 0.49 0.20 -0.55 8.29 8.05 2dzdA1 TYR 36 HA 0.21 0.07 0.64 -0.75 4.56 4.72 2dzdA1 TYR 36 HB2 0.01 0.01 -0.07 -0.04 3.06 2.97 2dzdA1 TYR 36 HB3 -0.12 0.03 -0.15 -0.04 2.98 2.70 2dzdA1 TYR 36 HD2 -0.08 0.05 -0.46 -0.04 7.15 6.62 2dzdA1 TYR 36 HE2 -0.12 0.04 -0.36 -0.04 6.85 6.37 2dzdA1 SER 37 H 0.16 0.07 0.08 -0.55 8.46 8.23 2dzdA1 SER 37 HA -0.14 0.35 0.78 -0.75 4.49 4.72 2dzdA1 SER 37 HB2 0.03 -0.01 0.10 -0.04 3.95 4.03 2dzdA1 SER 37 HB3 -0.21 0.14 0.00 -0.04 3.93 3.82 2dzdA1 LYS 38 H 0.02 0.26 0.11 -0.55 8.42 8.25 2dzdA1 LYS 38 HA 0.13 0.13 0.40 -0.75 4.32 4.24 2dzdA1 LYS 38 HB2 0.04 -0.04 0.11 -0.04 1.87 1.94 2dzdA1 LYS 38 HB3 0.07 0.07 0.01 -0.04 1.79 1.90 2dzdA1 LYS 38 HG2 0.01 -0.03 0.10 -0.04 1.46 1.50 2dzdA1 LYS 38 HG3 0.02 0.04 0.06 -0.04 1.46 1.54 2dzdA1 LYS 38 HD2 0.07 0.03 0.05 -0.04 1.69 1.79 2dzdA1 LYS 38 HD3 0.07 0.00 0.01 -0.04 1.68 1.72 2dzdA1 LYS 38 HE2 0.01 -0.03 0.01 -0.04 2.99 2.94 2dzdA1 LYS 38 HE3 0.03 0.01 0.02 -0.04 2.99 3.01 2dzdA1 GLU 39 H 0.13 0.06 -0.26 -0.55 8.60 7.99 2dzdA1 GLU 39 HA 0.21 0.12 0.36 -0.75 4.29 4.23 2dzdA1 GLU 39 HB2 0.39 -0.03 0.01 -0.04 2.09 2.41 2dzdA1 GLU 39 HB3 0.48 -0.01 0.02 -0.04 1.99 2.44 2dzdA1 GLU 39 HG2 -0.25 -0.05 0.06 -0.04 2.34 2.07 2dzdA1 GLU 39 HG3 -0.04 0.06 0.06 -0.04 2.34 2.38 2dzdA1 ASP 40 H 0.26 0.39 -0.55 -0.55 8.40 7.95 2dzdA1 ASP 40 HA 0.23 0.17 0.88 -0.75 4.63 5.16 2dzdA1 ASP 40 HB2 0.35 -0.12 0.16 -0.04 2.71 3.06 2dzdA1 ASP 40 HB3 0.25 -0.02 0.26 -0.04 2.70 3.15 2dzdA1 VAL 41 H 0.16 0.50 -0.26 -0.55 8.24 8.09 2dzdA1 VAL 41 HA -0.17 0.08 0.44 -0.75 4.13 3.72 2dzdA1 VAL 41 HB 0.03 0.01 0.07 -0.04 2.12 2.19 2dzdA1 VAL 41 HG13 0.20 0.01 0.07 -0.04 0.97 1.21 2dzdA1 VAL 41 HG23 0.10 0.05 -0.03 -0.04 0.95 1.02 2dzdA1 GLY 42 H 0.12 0.06 -0.35 -0.55 8.43 7.71 2dzdA1 GLY 42 HA2 0.15 0.27 0.80 -0.51 4.01 4.72 2dzdA1 GLY 42 HA3 0.12 0.00 0.28 -0.51 4.01 3.91 2dzdA1 SER 43 H 0.11 0.40 -0.32 -0.55 8.46 8.10 2dzdA1 SER 43 HA 0.25 0.10 0.57 -0.75 4.49 4.66 2dzdA1 SER 43 HB2 0.22 -0.02 0.16 -0.04 3.95 4.27 2dzdA1 SER 43 HB3 0.06 0.12 0.16 -0.04 3.93 4.23 2dzdA1 TYR 44 H 0.43 0.14 0.19 -0.55 8.29 8.50 2dzdA1 TYR 44 HA 0.04 0.16 0.28 -0.75 4.56 4.29 2dzdA1 TYR 44 HB2 0.27 0.01 0.15 -0.04 3.06 3.45 2dzdA1 TYR 44 HB3 0.17 0.04 0.14 -0.04 2.98 3.29 2dzdA1 TYR 44 HD2 -0.10 0.06 -0.04 -0.04 7.15 7.03 2dzdA1 TYR 44 HE2 -0.08 0.01 -0.04 -0.04 6.85 6.70 2dzdA1 HIS 45 H 0.33 -0.03 -0.21 -0.55 8.41 7.96 2dzdA1 HIS 45 HA -0.03 0.12 0.15 -0.75 4.63 4.12 2dzdA1 HIS 45 HB2 0.04 0.06 -0.01 -0.04 3.26 3.31 2dzdA1 HIS 45 HB3 0.02 -0.08 0.11 -0.04 3.20 3.21 2dzdA1 HIS 45 HD2 0.14 0.06 -0.09 -0.04 6.97 7.03 2dzdA1 HIS 45 HE1 0.08 -0.04 0.11 -0.04 7.75 7.85 2dzdA1 ARG 46 H -0.50 0.18 -0.32 -0.55 8.46 7.27 2dzdA1 ARG 46 HA -0.33 -0.00 0.26 -0.75 4.34 3.51 2dzdA1 ARG 46 HB2 -0.58 -0.05 0.02 -0.04 1.90 1.24 2dzdA1 ARG 46 HB3 -0.55 0.21 -0.05 -0.04 1.80 1.37 2dzdA1 ARG 46 HG2 -0.79 0.02 -0.15 -0.04 1.67 0.71 2dzdA1 ARG 46 HG3 -1.00 -0.09 -0.13 -0.04 1.67 0.41 2dzdA1 ARG 46 HD2 -0.88 0.06 -0.04 -0.04 3.22 2.32 2dzdA1 ARG 46 HD3 -1.57 0.04 -0.14 -0.04 3.22 1.51 2dzdA1 TYR 47 H 0.01 0.36 -0.50 -0.55 8.29 7.61 2dzdA1 TYR 47 HA -0.18 0.19 0.53 -0.75 4.56 4.35 2dzdA1 TYR 47 HB2 -0.17 0.09 0.02 -0.04 3.06 2.96 2dzdA1 TYR 47 HB3 -0.13 -0.01 0.04 -0.04 2.98 2.84 2dzdA1 TYR 47 HD2 -0.12 0.06 -0.06 -0.04 7.15 6.99 2dzdA1 TYR 47 HE2 -0.11 0.00 -0.13 -0.04 6.85 6.57 2dzdA1 LYS 48 H -0.09 0.24 -0.16 -0.55 8.42 7.85 2dzdA1 LYS 48 HA -0.12 0.15 0.52 -0.75 4.32 4.11 2dzdA1 LYS 48 HB2 0.18 -0.03 0.01 -0.04 1.87 1.99 2dzdA1 LYS 48 HB3 0.03 -0.03 0.08 -0.04 1.79 1.84 2dzdA1 LYS 48 HG2 -0.54 0.16 -0.06 -0.04 1.46 0.98 2dzdA1 LYS 48 HG3 -0.49 -0.11 -0.08 -0.04 1.46 0.75 2dzdA1 LYS 48 HD2 -0.18 0.11 -0.09 -0.04 1.69 1.48 2dzdA1 LYS 48 HD3 -0.61 -0.01 -0.09 -0.04 1.68 0.93 2dzdA1 LYS 48 HE2 -0.12 -0.06 -0.03 -0.04 2.99 2.74 2dzdA1 LYS 48 HE3 -0.04 0.01 0.00 -0.04 2.99 2.91 2dzdA1 ALA 49 H -0.33 0.16 -0.41 -0.55 8.40 7.27 2dzdA1 ALA 49 HA -0.90 0.12 0.74 -0.75 4.34 3.54 2dzdA1 ALA 49 HB3 -0.86 0.01 -0.12 -0.04 1.41 0.39 2dzdA1 ASP 50 H -0.31 0.08 0.14 -0.55 8.40 7.76 2dzdA1 ASP 50 HA -0.15 0.08 0.37 -0.75 4.63 4.17 2dzdA1 ASP 50 HB2 -0.12 0.18 0.28 -0.04 2.71 3.01 2dzdA1 ASP 50 HB3 -0.09 0.02 0.13 -0.04 2.70 2.72 2dzdA1 GLU 51 H -0.25 0.11 -0.25 -0.55 8.60 7.67 2dzdA1 GLU 51 HA -0.27 0.09 0.42 -0.75 4.29 3.78 2dzdA1 GLU 51 HB2 -0.35 -0.02 0.06 -0.04 2.09 1.73 2dzdA1 GLU 51 HB3 -0.15 0.16 -0.02 -0.04 1.99 1.93 2dzdA1 GLU 51 HG2 -0.11 0.09 0.06 -0.04 2.34 2.35 2dzdA1 GLU 51 HG3 -0.09 -0.04 -0.14 -0.04 2.34 2.03 2dzdA1 ALA 52 H -0.47 0.22 0.17 -0.55 8.40 7.76 2dzdA1 ALA 52 HA -0.25 0.35 1.12 -0.75 4.34 4.80 2dzdA1 ALA 52 HB3 -0.14 0.01 -0.05 -0.04 1.41 1.19 2dzdA1 TYR 53 H -0.03 0.63 0.36 -0.55 8.29 8.70 2dzdA1 TYR 53 HA -0.07 0.12 0.91 -0.75 4.56 4.77 2dzdA1 TYR 53 HB2 -0.05 -0.01 0.02 -0.04 3.06 2.97 2dzdA1 TYR 53 HB3 -0.05 0.03 0.01 -0.04 2.98 2.93 2dzdA1 TYR 53 HD2 -0.06 -0.02 -0.07 -0.04 7.15 6.96 2dzdA1 TYR 53 HE2 -0.28 0.01 -0.11 -0.04 6.85 6.43 2dzdA1 LEU 54 H -0.27 0.15 0.13 -0.55 8.37 7.84 2dzdA1 LEU 54 HA -1.05 0.28 0.65 -0.75 4.35 3.48 2dzdA1 LEU 54 HB2 -0.47 0.01 0.06 -0.04 1.64 1.20 2dzdA1 LEU 54 HB3 -0.18 -0.01 0.14 -0.04 1.64 1.55 2dzdA1 LEU 54 HG -0.15 -0.05 -0.26 -0.04 1.64 1.14 2dzdA1 LEU 54 HD13 -0.15 0.06 -0.05 -0.04 0.93 0.74 2dzdA1 LEU 54 HD23 -0.01 -0.01 -0.03 -0.04 0.89 0.80 2dzdA1 VAL 55 H -0.33 0.49 0.26 -0.55 8.24 8.11 2dzdA1 VAL 55 HA -0.12 0.21 0.94 -0.75 4.13 4.41 2dzdA1 VAL 55 HB -0.13 0.06 -0.09 -0.04 2.12 1.93 2dzdA1 VAL 55 HG13 -0.38 0.01 -0.23 -0.04 0.97 0.34 2dzdA1 VAL 55 HG23 -0.07 -0.01 -0.04 -0.04 0.95 0.79 2dzdA1 GLY 56 H -0.08 0.15 0.13 -0.55 8.43 8.09 2dzdA1 GLY 56 HA2 -0.05 0.02 0.33 -0.51 4.01 3.80 2dzdA1 GLY 56 HA3 -0.09 -0.00 0.28 -0.51 4.01 3.68 2dzdA1 GLU 57 H -0.06 0.08 -0.24 -0.55 8.60 7.83 2dzdA1 GLU 57 HA -0.04 0.00 0.38 -0.75 4.29 3.87 2dzdA1 GLU 57 HB2 -0.04 0.05 -0.01 -0.04 2.09 2.04 2dzdA1 GLU 57 HB3 -0.03 -0.00 0.06 -0.04 1.99 1.97 2dzdA1 GLU 57 HG2 -0.01 0.04 -0.06 -0.04 2.34 2.26 2dzdA1 GLU 57 HG3 -0.01 0.04 -0.35 -0.04 2.34 1.97 2dzdA1 GLY 58 H -0.02 0.12 0.20 -0.55 8.43 8.18 2dzdA1 GLY 58 HA2 -0.01 -0.01 0.39 -0.51 4.01 3.87 2dzdA1 GLY 58 HA3 -0.01 0.11 0.50 -0.51 4.01 4.10 2dzdA1 LYS 59 H -0.03 0.34 -0.75 -0.55 8.42 7.43 2dzdA1 LYS 59 HA -0.01 0.09 0.63 -0.75 4.32 4.27 2dzdA1 LYS 59 HB2 -0.03 0.27 0.04 -0.04 1.87 2.11 2dzdA1 LYS 59 HB3 -0.01 -0.21 0.03 -0.04 1.79 1.56 2dzdA1 LYS 59 HG2 -0.00 -0.01 -0.04 -0.04 1.46 1.37 2dzdA1 LYS 59 HG3 -0.02 0.10 -0.16 -0.04 1.46 1.34 2dzdA1 LYS 59 HD2 -0.03 -0.09 -0.01 -0.04 1.69 1.52 2dzdA1 LYS 59 HD3 -0.00 0.01 -0.18 -0.04 1.68 1.47 2dzdA1 LYS 59 HE2 -0.01 0.06 -0.05 -0.04 2.99 2.95 2dzdA1 LYS 59 HE3 -0.00 -0.13 -0.00 -0.04 2.99 2.81 2dzdA1 LYS 60 H -0.01 0.05 0.13 -0.55 8.42 8.03 2dzdA1 LYS 60 HA -0.07 0.23 0.55 -0.75 4.32 4.28 2dzdA1 LYS 60 HB2 -0.01 -0.13 0.12 -0.04 1.87 1.81 2dzdA1 LYS 60 HB3 -0.06 0.03 0.15 -0.04 1.79 1.87 2dzdA1 LYS 60 HG2 -0.03 0.09 0.03 -0.04 1.46 1.51 2dzdA1 LYS 60 HG3 -0.01 0.01 0.06 -0.04 1.46 1.48 2dzdA1 LYS 60 HD2 -0.00 -0.04 0.05 -0.04 1.69 1.66 2dzdA1 LYS 60 HD3 -0.02 0.02 0.06 -0.04 1.68 1.69 2dzdA1 LYS 60 HE2 -0.01 0.03 0.02 -0.04 2.99 3.00 2dzdA1 LYS 60 HE3 -0.00 0.01 0.03 -0.04 2.99 2.98 2dzdA1 PRO 61 HA 0.03 0.01 0.31 -0.51 4.44 4.28 2dzdA1 PRO 61 HB2 -0.32 0.07 0.12 -0.04 2.28 2.11 2dzdA1 PRO 61 HB3 -0.43 -0.01 0.08 -0.04 2.02 1.62 2dzdA1 PRO 61 HG2 -1.09 0.11 0.12 -0.04 2.03 1.13 2dzdA1 PRO 61 HG3 -0.80 0.05 0.12 -0.04 2.03 1.37 2dzdA1 PRO 61 HD2 -0.18 0.12 0.21 -0.04 3.68 3.79 2dzdA1 PRO 61 HD3 -0.22 0.20 0.26 -0.04 3.65 3.85 2dzdA1 ILE 62 H 0.02 0.17 -0.04 -0.55 8.25 7.85 2dzdA1 ILE 62 HA 0.46 0.12 0.50 -0.75 4.18 4.51 2dzdA1 ILE 62 HB 0.08 -0.04 0.09 -0.04 1.89 1.99 2dzdA1 ILE 62 HG12 0.06 -0.03 0.05 -0.04 1.49 1.52 2dzdA1 ILE 62 HG13 0.07 0.08 0.06 -0.04 1.21 1.38 2dzdA1 ILE 62 HG23 0.16 0.02 -0.17 -0.04 0.93 0.90 2dzdA1 ILE 62 HD13 0.29 0.02 0.04 -0.04 0.88 1.18 2dzdA1 GLU 63 H 0.07 0.04 -0.34 -0.55 8.60 7.83 2dzdA1 GLU 63 HA 0.09 0.10 0.27 -0.75 4.29 4.00 2dzdA1 GLU 63 HB2 0.02 -0.07 0.13 -0.04 2.09 2.12 2dzdA1 GLU 63 HB3 0.03 0.04 0.02 -0.04 1.99 2.03 2dzdA1 GLU 63 HG2 0.04 0.07 0.02 -0.04 2.34 2.44 2dzdA1 GLU 63 HG3 0.04 -0.05 0.03 -0.04 2.34 2.32 2dzdA1 ALA 64 H 0.05 0.56 -0.35 -0.55 8.40 8.11 2dzdA1 ALA 64 HA -0.06 -0.03 0.24 -0.75 4.34 3.74 2dzdA1 ALA 64 HB3 -0.12 0.09 -0.07 -0.04 1.41 1.26 2dzdA1 TYR 65 H 0.17 0.38 -0.63 -0.55 8.29 7.65 2dzdA1 TYR 65 HA -0.09 0.16 0.69 -0.75 4.56 4.56 2dzdA1 TYR 65 HB2 -0.04 0.17 0.03 -0.04 3.06 3.18 2dzdA1 TYR 65 HB3 -0.45 -0.02 -0.02 -0.04 2.98 2.46 2dzdA1 TYR 65 HD2 -0.11 0.12 -0.08 -0.04 7.15 7.03 2dzdA1 TYR 65 HE2 -0.07 0.10 -0.12 -0.04 6.85 6.72 2dzdA1 LEU 66 H 0.10 0.46 -0.21 -0.55 8.37 8.17 2dzdA1 LEU 66 HA 0.05 0.12 0.61 -0.75 4.35 4.37 2dzdA1 LEU 66 HB2 0.08 0.10 0.13 -0.04 1.64 1.91 2dzdA1 LEU 66 HB3 0.06 -0.07 0.13 -0.04 1.64 1.73 2dzdA1 LEU 66 HG 0.11 0.01 -0.03 -0.04 1.64 1.69 2dzdA1 LEU 66 HD13 0.30 0.05 -0.19 -0.04 0.93 1.06 2dzdA1 LEU 66 HD23 0.11 -0.04 -0.14 -0.04 0.89 0.78 2dzdA1 ASP 67 H 0.01 0.16 -0.45 -0.55 8.40 7.57 2dzdA1 ASP 67 HA 0.03 0.05 0.40 -0.75 4.63 4.36 2dzdA1 ASP 67 HB2 -0.02 0.08 0.09 -0.04 2.71 2.82 2dzdA1 ASP 67 HB3 -0.03 0.12 0.11 -0.04 2.70 2.86 2dzdA1 ILE 68 H 0.07 0.55 0.38 -0.55 8.25 8.70 2dzdA1 ILE 68 HA 0.24 0.08 0.24 -0.75 4.18 3.98 2dzdA1 ILE 68 HB 0.11 -0.03 0.13 -0.04 1.89 2.06 2dzdA1 ILE 68 HG12 0.32 -0.01 0.03 -0.04 1.49 1.80 2dzdA1 ILE 68 HG13 0.09 0.26 0.13 -0.04 1.21 1.65 2dzdA1 ILE 68 HG23 0.21 0.01 -0.19 -0.04 0.93 0.92 2dzdA1 ILE 68 HD13 0.15 -0.01 -0.03 -0.04 0.88 0.95 2dzdA1 GLU 69 H 0.06 0.08 -0.17 -0.55 8.60 8.02 2dzdA1 GLU 69 HA 0.04 0.17 0.47 -0.75 4.29 4.22 2dzdA1 GLU 69 HB2 0.02 -0.04 0.04 -0.04 2.09 2.07 2dzdA1 GLU 69 HB3 0.01 0.07 -0.02 -0.04 1.99 2.01 2dzdA1 GLU 69 HG2 0.03 -0.06 -0.01 -0.04 2.34 2.26 2dzdA1 GLU 69 HG3 0.01 0.05 -0.01 -0.04 2.34 2.36 2dzdA1 GLY 70 H 0.03 0.06 -0.18 -0.55 8.43 7.80 2dzdA1 GLY 70 HA2 -0.00 0.14 0.53 -0.51 4.01 4.17 2dzdA1 GLY 70 HA3 -0.01 -0.04 0.30 -0.51 4.01 3.76 2dzdA1 ILE 71 H 0.07 0.56 -0.15 -0.55 8.25 8.18 2dzdA1 ILE 71 HA 0.06 0.06 0.41 -0.75 4.18 3.96 2dzdA1 ILE 71 HB 0.25 0.07 0.05 -0.04 1.89 2.23 2dzdA1 ILE 71 HG12 0.05 -0.03 -0.06 -0.04 1.49 1.41 2dzdA1 ILE 71 HG13 0.04 0.11 -0.10 -0.04 1.21 1.22 2dzdA1 ILE 71 HG23 0.27 0.00 -0.25 -0.04 0.93 0.91 2dzdA1 ILE 71 HD13 0.02 0.00 -0.18 -0.04 0.88 0.68 2dzdA1 ILE 72 H 0.11 0.46 -0.13 -0.55 8.25 8.14 2dzdA1 ILE 72 HA 0.03 0.03 0.34 -0.75 4.18 3.82 2dzdA1 ILE 72 HB 0.02 0.05 0.11 -0.04 1.89 2.03 2dzdA1 ILE 72 HG12 -0.08 0.00 -0.03 -0.04 1.49 1.34 2dzdA1 ILE 72 HG13 0.05 0.05 0.07 -0.04 1.21 1.33 2dzdA1 ILE 72 HG23 -0.02 0.01 -0.17 -0.04 0.93 0.71 2dzdA1 ILE 72 HD13 -0.09 0.00 -0.13 -0.04 0.88 0.62 2dzdA1 GLU 73 H 0.01 0.32 -0.45 -0.55 8.60 7.93 2dzdA1 GLU 73 HA -0.03 0.04 0.44 -0.75 4.29 3.98 2dzdA1 GLU 73 HB2 -0.02 -0.01 0.11 -0.04 2.09 2.13 2dzdA1 GLU 73 HB3 -0.01 0.03 0.20 -0.04 1.99 2.17 2dzdA1 GLU 73 HG2 -0.06 0.04 -0.33 -0.04 2.34 1.95 2dzdA1 GLU 73 HG3 -0.05 -0.02 0.01 -0.04 2.34 2.24 2dzdA1 ILE 74 H 0.00 0.38 -0.44 -0.55 8.25 7.65 2dzdA1 ILE 74 HA -0.08 0.06 0.50 -0.75 4.18 3.91 2dzdA1 ILE 74 HB 0.05 0.19 0.15 -0.04 1.89 2.25 2dzdA1 ILE 74 HG12 -0.01 0.29 0.08 -0.04 1.49 1.81 2dzdA1 ILE 74 HG13 0.03 -0.08 -0.08 -0.04 1.21 1.04 2dzdA1 ILE 74 HG23 0.09 -0.02 -0.23 -0.04 0.93 0.74 2dzdA1 ILE 74 HD13 -0.05 -0.01 -0.07 -0.04 0.88 0.71 2dzdA1 ALA 75 H 0.04 0.41 -0.05 -0.55 8.40 8.25 2dzdA1 ALA 75 HA 0.06 0.02 0.29 -0.75 4.34 3.95 2dzdA1 ALA 75 HB3 0.04 0.03 -0.01 -0.04 1.41 1.43 2dzdA1 LYS 76 H -0.02 0.52 -0.12 -0.55 8.42 8.24 2dzdA1 LYS 76 HA -0.03 0.08 0.34 -0.75 4.32 3.95 2dzdA1 LYS 76 HB2 -0.06 0.03 0.02 -0.04 1.87 1.83 2dzdA1 LYS 76 HB3 -0.04 -0.02 0.05 -0.04 1.79 1.73 2dzdA1 LYS 76 HG2 -0.03 0.07 0.04 -0.04 1.46 1.50 2dzdA1 LYS 76 HG3 -0.02 0.07 0.11 -0.04 1.46 1.58 2dzdA1 LYS 76 HD2 -0.03 -0.07 -0.05 -0.04 1.69 1.50 2dzdA1 LYS 76 HD3 -0.03 -0.03 -0.10 -0.04 1.68 1.48 2dzdA1 LYS 76 HE2 -0.03 -0.08 -0.03 -0.04 2.99 2.82 2dzdA1 LYS 76 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.89 2dzdA1 ALA 77 H -0.13 0.22 -0.67 -0.55 8.40 7.27 2dzdA1 ALA 77 HA -0.22 0.02 0.42 -0.75 4.34 3.80 2dzdA1 ALA 77 HB3 -0.41 0.02 0.12 -0.04 1.41 1.10 2dzdA1 HIS 78 H -0.08 0.41 -0.37 -0.55 8.41 7.83 2dzdA1 HIS 78 HA -0.05 0.18 0.88 -0.75 4.63 4.88 2dzdA1 HIS 78 HB2 -0.05 0.02 -0.00 -0.04 3.26 3.19 2dzdA1 HIS 78 HB3 0.01 -0.04 0.09 -0.04 3.20 3.21 2dzdA1 HIS 78 HD2 -0.57 0.05 -0.09 -0.04 6.97 6.31 2dzdA1 HIS 78 HE1 -0.20 -0.05 -0.05 -0.04 7.75 7.40 2dzdA1 ASP 79 H -0.01 0.26 -0.18 -0.55 8.40 7.92 2dzdA1 ASP 79 HA 0.01 0.06 0.26 -0.75 4.63 4.21 2dzdA1 ASP 79 HB2 0.02 -0.04 -0.20 -0.04 2.71 2.46 2dzdA1 ASP 79 HB3 0.04 0.09 -0.04 -0.04 2.70 2.75 2dzdA1 VAL 80 H 0.03 0.44 -0.16 -0.55 8.24 8.01 2dzdA1 VAL 80 HA 0.05 0.09 0.62 -0.75 4.13 4.13 2dzdA1 VAL 80 HB 0.05 -0.07 -0.01 -0.04 2.12 2.04 2dzdA1 VAL 80 HG13 0.06 -0.03 -0.22 -0.04 0.97 0.74 2dzdA1 VAL 80 HG23 0.09 0.01 -0.23 -0.04 0.95 0.79 2dzdA1 ASP 81 H 0.04 0.46 0.35 -0.55 8.40 8.70 2dzdA1 ASP 81 HA 0.02 0.23 0.78 -0.75 4.63 4.89 2dzdA1 ASP 81 HB2 0.03 -0.03 0.16 -0.04 2.71 2.83 2dzdA1 ASP 81 HB3 0.02 0.01 0.02 -0.04 2.70 2.71 2dzdA1 ALA 82 H 0.04 0.24 0.22 -0.55 8.40 8.35 2dzdA1 ALA 82 HA 0.04 0.31 0.72 -0.75 4.34 4.66 2dzdA1 ALA 82 HB3 0.03 0.00 -0.18 -0.04 1.41 1.23 2dzdA1 ILE 83 H 0.04 0.70 0.26 -0.55 8.25 8.70 2dzdA1 ILE 83 HA 0.11 0.29 1.11 -0.75 4.18 4.93 2dzdA1 ILE 83 HB 0.15 0.00 0.08 -0.04 1.89 2.07 2dzdA1 ILE 83 HG12 0.13 -0.00 -0.12 -0.04 1.49 1.45 2dzdA1 ILE 83 HG13 0.07 -0.03 -0.35 -0.04 1.21 0.85 2dzdA1 ILE 83 HG23 0.31 -0.01 -0.23 -0.04 0.93 0.96 2dzdA1 ILE 83 HD13 0.04 -0.01 -0.14 -0.04 0.88 0.73 2dzdA1 HIS 84 H 0.15 0.43 0.20 -0.55 8.41 8.64 2dzdA1 HIS 84 HA -0.13 0.26 0.97 -0.75 4.63 4.99 2dzdA1 HIS 84 HB2 -0.03 0.06 0.02 -0.04 3.26 3.27 2dzdA1 HIS 84 HB3 -0.04 -0.09 0.09 -0.04 3.20 3.11 2dzdA1 HIS 84 HD2 -0.05 0.05 -0.06 -0.04 6.97 6.87 2dzdA1 HIS 84 HE1 -0.08 -0.03 -0.01 -0.04 7.75 7.59 2dzdA1 PRO 85 HA 0.06 0.14 0.54 -0.51 4.44 4.67 2dzdA1 PRO 85 HB2 0.11 -0.20 -0.03 -0.04 2.28 2.12 2dzdA1 PRO 85 HB3 0.23 0.04 -0.07 -0.04 2.02 2.17 2dzdA1 PRO 85 HG2 -0.17 0.08 0.05 -0.04 2.03 1.95 2dzdA1 PRO 85 HG3 -0.61 0.15 0.06 -0.04 2.03 1.59 2dzdA1 PRO 85 HD2 -0.74 0.09 0.30 -0.04 3.68 3.29 2dzdA1 PRO 85 HD3 -0.56 0.32 0.29 -0.04 3.65 3.66 2dzdA1 GLY 86 H 0.57 0.07 -0.33 -0.55 8.43 8.18 2dzdA1 GLY 86 HA2 0.09 0.01 0.19 -0.51 4.01 3.79 2dzdA1 GLY 86 HA3 -0.12 -0.04 0.24 -0.51 4.01 3.58 2dzdA1 TYR 87 H -0.47 0.12 0.16 -0.55 8.29 7.54 2dzdA1 TYR 87 HA 0.06 0.20 0.64 -0.75 4.56 4.71 2dzdA1 TYR 87 HB2 0.03 0.01 0.05 -0.04 3.06 3.11 2dzdA1 TYR 87 HB3 0.04 0.22 -0.14 -0.04 2.98 3.05 2dzdA1 TYR 87 HD2 0.02 0.07 -0.40 -0.04 7.15 6.79 2dzdA1 TYR 87 HE2 0.04 0.04 -0.09 -0.04 6.85 6.80 2dzdA1 GLY 88 H 0.16 0.19 0.06 -0.55 8.43 8.28 2dzdA1 GLY 88 HA2 0.01 0.08 0.27 -0.51 4.01 3.86 2dzdA1 GLY 88 HA3 0.06 0.04 0.09 -0.51 4.01 3.70 2dzdA1 PHE 89 H 0.15 -0.08 -0.24 -0.55 8.34 7.61 2dzdA1 PHE 89 HA 0.01 0.22 0.56 -0.75 4.62 4.65 2dzdA1 PHE 89 HB2 -0.07 0.03 0.15 -0.04 3.15 3.21 2dzdA1 PHE 89 HB3 -0.04 0.08 0.06 -0.04 3.06 3.12 2dzdA1 PHE 89 HD2 -0.06 0.05 -0.08 -0.04 7.28 7.16 2dzdA1 PHE 89 HE2 -0.08 -0.06 0.01 -0.04 7.38 7.20 2dzdA1 PHE 89 HZ -0.17 -0.11 -0.02 -0.04 7.32 6.98 2dzdA1 LEU 90 H 0.10 0.31 0.15 -0.55 8.37 8.39 2dzdA1 LEU 90 HA 0.02 0.17 0.89 -0.75 4.35 4.68 2dzdA1 LEU 90 HB2 -0.50 0.11 0.08 -0.04 1.64 1.29 2dzdA1 LEU 90 HB3 -0.45 -0.05 0.18 -0.04 1.64 1.28 2dzdA1 LEU 90 HG -0.09 0.05 -0.06 -0.04 1.64 1.50 2dzdA1 LEU 90 HD13 -0.59 -0.01 -0.05 -0.04 0.93 0.24 2dzdA1 LEU 90 HD23 -0.02 0.00 0.03 -0.04 0.89 0.87 2dzdA1 SER 91 H 0.11 -0.09 -0.12 -0.55 8.46 7.82 2dzdA1 SER 91 HA 0.24 0.13 0.25 -0.75 4.49 4.36 2dzdA1 SER 91 HB2 0.13 0.17 -0.03 -0.04 3.95 4.18 2dzdA1 SER 91 HB3 0.11 0.26 -0.30 -0.04 3.93 3.96 2dzdA1 GLU 92 H 0.13 -0.04 -0.58 -0.55 8.60 7.56 2dzdA1 GLU 92 HA 0.18 0.34 0.85 -0.75 4.29 4.90 2dzdA1 GLU 92 HB2 0.09 -0.06 -0.06 -0.04 2.09 2.02 2dzdA1 GLU 92 HB3 0.11 0.07 0.11 -0.04 1.99 2.24 2dzdA1 GLU 92 HG2 0.12 0.13 -0.13 -0.04 2.34 2.43 2dzdA1 GLU 92 HG3 0.12 -0.14 -0.45 -0.04 2.34 1.84 2dzdA1 ASN 93 H 0.14 0.52 -0.17 -0.55 8.53 8.46 2dzdA1 ASN 93 HA 0.06 0.08 0.52 -0.75 4.76 4.68 2dzdA1 ASN 93 HB2 0.06 0.05 0.16 -0.04 2.88 3.11 2dzdA1 ASN 93 HB3 0.10 0.11 0.28 -0.04 2.79 3.24 2dzdA1 ASN 93 HD21 0.05 0.00 0.05 -0.04 7.03 7.09 2dzdA1 ASN 93 HD22 0.05 0.10 0.07 -0.04 7.74 7.91 2dzdA1 ILE 94 H 0.04 0.23 0.22 -0.55 8.25 8.18 2dzdA1 ILE 94 HA -0.04 0.12 0.31 -0.75 4.18 3.81 2dzdA1 ILE 94 HB 0.01 -0.05 0.12 -0.04 1.89 1.93 2dzdA1 ILE 94 HG12 0.02 0.03 -0.03 -0.04 1.49 1.46 2dzdA1 ILE 94 HG13 0.03 0.07 0.08 -0.04 1.21 1.35 2dzdA1 ILE 94 HG23 -0.02 -0.00 -0.08 -0.04 0.93 0.78 2dzdA1 ILE 94 HD13 0.01 0.00 -0.02 -0.04 0.88 0.83 2dzdA1 GLN 95 H 0.03 0.09 -0.08 -0.55 8.47 7.96 2dzdA1 GLN 95 HA 0.00 0.08 0.32 -0.75 4.36 4.02 2dzdA1 GLN 95 HB2 0.03 0.03 0.10 -0.04 2.15 2.27 2dzdA1 GLN 95 HB3 0.07 -0.04 0.06 -0.04 2.02 2.08 2dzdA1 GLN 95 HG2 0.05 0.01 -0.02 -0.04 2.40 2.39 2dzdA1 GLN 95 HG3 0.06 0.01 -0.20 -0.04 2.39 2.21 2dzdA1 GLN 95 HE21 0.01 0.04 -0.00 -0.04 6.97 6.97 2dzdA1 GLN 95 HE22 0.02 -0.01 -0.02 -0.04 7.69 7.64 2dzdA1 PHE 96 H 0.17 0.10 -0.29 -0.55 8.34 7.76 2dzdA1 PHE 96 HA -0.00 0.01 0.37 -0.75 4.62 4.24 2dzdA1 PHE 96 HB2 0.04 -0.10 0.13 -0.04 3.15 3.19 2dzdA1 PHE 96 HB3 -0.02 0.23 0.14 -0.04 3.06 3.36 2dzdA1 PHE 96 HD2 0.25 0.01 -0.04 -0.04 7.28 7.46 2dzdA1 PHE 96 HE2 0.17 0.00 -0.10 -0.04 7.38 7.42 2dzdA1 PHE 96 HZ 0.11 -0.00 -0.11 -0.04 7.32 7.28 2dzdA1 ALA 97 H -0.16 0.39 -0.12 -0.55 8.40 7.97 2dzdA1 ALA 97 HA -0.75 0.06 0.26 -0.75 4.34 3.14 2dzdA1 ALA 97 HB3 -0.72 0.04 0.05 -0.04 1.41 0.74 2dzdA1 LYS 98 H -0.14 0.45 -0.12 -0.55 8.42 8.06 2dzdA1 LYS 98 HA -0.10 0.07 0.48 -0.75 4.32 4.02 2dzdA1 LYS 98 HB2 -0.07 -0.04 0.10 -0.04 1.87 1.82 2dzdA1 LYS 98 HB3 -0.06 0.04 0.07 -0.04 1.79 1.81 2dzdA1 LYS 98 HG2 -0.05 0.00 -0.06 -0.04 1.46 1.31 2dzdA1 LYS 98 HG3 -0.05 -0.00 0.06 -0.04 1.46 1.43 2dzdA1 LYS 98 HD2 -0.03 0.01 -0.02 -0.04 1.69 1.61 2dzdA1 LYS 98 HD3 -0.03 -0.03 -0.01 -0.04 1.68 1.56 2dzdA1 LYS 98 HE2 -0.03 -0.00 -0.03 -0.04 2.99 2.88 2dzdA1 LYS 98 HE3 -0.03 0.02 -0.08 -0.04 2.99 2.86 2dzdA1 ARG 99 H -0.10 0.51 -0.11 -0.55 8.46 8.21 2dzdA1 ARG 99 HA -0.06 -0.00 0.54 -0.75 4.34 4.06 2dzdA1 ARG 99 HB2 -0.11 0.16 0.22 -0.04 1.90 2.12 2dzdA1 ARG 99 HB3 -0.06 -0.05 -0.01 -0.04 1.80 1.63 2dzdA1 ARG 99 HG2 -0.02 0.14 0.11 -0.04 1.67 1.86 2dzdA1 ARG 99 HG3 0.01 -0.12 -0.04 -0.04 1.67 1.48 2dzdA1 ARG 99 HD2 -0.03 0.01 0.04 -0.04 3.22 3.20 2dzdA1 ARG 99 HD3 -0.01 -0.04 -0.01 -0.04 3.22 3.13 2dzdA1 CYS 100 H -0.27 0.64 -0.02 -0.55 8.50 8.30 2dzdA1 CYS 100 HA -0.14 -0.07 0.44 -0.75 4.58 4.06 2dzdA1 CYS 100 HB2 -0.17 0.18 0.13 -0.04 2.97 3.06 2dzdA1 CYS 100 HB3 -0.05 0.35 -0.13 -0.04 2.97 3.10 2dzdA1 ARG 101 H -0.10 0.30 -0.29 -0.55 8.46 7.82 2dzdA1 ARG 101 HA -0.03 0.09 0.25 -0.75 4.34 3.91 2dzdA1 ARG 101 HB2 -0.04 -0.01 0.13 -0.04 1.90 1.94 2dzdA1 ARG 101 HB3 -0.05 0.08 0.21 -0.04 1.80 1.99 2dzdA1 ARG 101 HG2 -0.03 0.01 -0.19 -0.04 1.67 1.42 2dzdA1 ARG 101 HG3 -0.02 0.01 0.05 -0.04 1.67 1.68 2dzdA1 ARG 101 HD2 -0.02 -0.01 0.00 -0.04 3.22 3.15 2dzdA1 ARG 101 HD3 -0.02 -0.04 0.03 -0.04 3.22 3.15 2dzdA1 GLU 102 H -0.05 0.43 -0.14 -0.55 8.60 8.29 2dzdA1 GLU 102 HA -0.03 0.02 0.49 -0.75 4.29 4.02 2dzdA1 GLU 102 HB2 -0.04 0.07 0.21 -0.04 2.09 2.29 2dzdA1 GLU 102 HB3 -0.03 -0.06 0.06 -0.04 1.99 1.91 2dzdA1 GLU 102 HG2 -0.03 -0.05 0.04 -0.04 2.34 2.26 2dzdA1 GLU 102 HG3 -0.04 0.25 0.10 -0.04 2.34 2.61 2dzdA1 GLU 103 H -0.05 0.60 -0.06 -0.55 8.60 8.54 2dzdA1 GLU 103 HA -0.03 0.02 0.40 -0.75 4.29 3.93 2dzdA1 GLU 103 HB2 -0.05 0.03 0.09 -0.04 2.09 2.13 2dzdA1 GLU 103 HB3 -0.03 -0.03 0.13 -0.04 1.99 2.01 2dzdA1 GLU 103 HG2 -0.05 0.19 0.04 -0.04 2.34 2.48 2dzdA1 GLU 103 HG3 -0.04 -0.10 -0.02 -0.04 2.34 2.14 2dzdA1 GLY 104 H -0.03 0.25 -1.01 -0.55 8.43 7.09 2dzdA1 GLY 104 HA2 -0.02 0.03 0.24 -0.51 4.01 3.76 2dzdA1 GLY 104 HA3 -0.02 0.00 0.42 -0.51 4.01 3.91 2dzdA1 ILE 105 H -0.03 0.28 -0.32 -0.55 8.25 7.63 2dzdA1 ILE 105 HA 0.00 0.23 0.71 -0.75 4.18 4.37 2dzdA1 ILE 105 HB -0.04 -0.13 0.00 -0.04 1.89 1.68 2dzdA1 ILE 105 HG12 -0.03 0.06 -0.21 -0.04 1.49 1.27 2dzdA1 ILE 105 HG13 -0.03 -0.16 -0.09 -0.04 1.21 0.90 2dzdA1 ILE 105 HG23 0.02 0.01 -0.39 -0.04 0.93 0.53 2dzdA1 ILE 105 HD13 -0.00 -0.00 -0.19 -0.04 0.88 0.64 2dzdA1 ILE 106 H 0.02 0.69 0.31 -0.55 8.25 8.72 2dzdA1 ILE 106 HA 0.05 0.05 0.43 -0.75 4.18 3.95 2dzdA1 ILE 106 HB 0.03 -0.05 0.12 -0.04 1.89 1.95 2dzdA1 ILE 106 HG12 0.01 -0.02 0.04 -0.04 1.49 1.48 2dzdA1 ILE 106 HG13 0.01 0.12 0.11 -0.04 1.21 1.40 2dzdA1 ILE 106 HG23 0.06 -0.02 -0.22 -0.04 0.93 0.71 2dzdA1 ILE 106 HD13 0.01 0.04 0.01 -0.04 0.88 0.90 2dzdA1 PHE 107 H 0.18 0.21 0.15 -0.55 8.34 8.33 2dzdA1 PHE 107 HA -0.01 0.12 0.90 -0.75 4.62 4.88 2dzdA1 PHE 107 HB2 -0.05 0.02 0.04 -0.04 3.15 3.12 2dzdA1 PHE 107 HB3 0.00 0.02 0.15 -0.04 3.06 3.19 2dzdA1 PHE 107 HD2 0.00 0.06 -0.18 -0.04 7.28 7.12 2dzdA1 PHE 107 HE2 0.31 -0.03 -0.12 -0.04 7.38 7.50 2dzdA1 PHE 107 HZ 0.15 0.06 -0.06 -0.04 7.32 7.43 2dzdA1 ILE 108 H -0.32 0.43 0.14 -0.55 8.25 7.94 2dzdA1 ILE 108 HA -0.13 0.09 0.57 -0.75 4.18 3.95 2dzdA1 ILE 108 HB -0.54 -0.06 0.25 -0.04 1.89 1.50 2dzdA1 ILE 108 HG12 -0.01 0.00 -0.16 -0.04 1.49 1.28 2dzdA1 ILE 108 HG13 -0.06 0.03 -0.17 -0.04 1.21 0.96 2dzdA1 ILE 108 HG23 -0.24 0.01 -0.19 -0.04 0.93 0.46 2dzdA1 ILE 108 HD13 0.05 0.01 -0.47 -0.04 0.88 0.43 2dzdA1 GLY 109 H -0.08 0.28 0.28 -0.55 8.43 8.36 2dzdA1 GLY 109 HA2 -0.07 -0.07 0.45 -0.51 4.01 3.80 2dzdA1 GLY 109 HA3 -0.05 0.13 0.42 -0.51 4.01 4.01 2dzdA1 PRO 110 HA -0.15 0.15 0.47 -0.51 4.44 4.40 2dzdA1 PRO 110 HB2 0.06 -0.11 0.13 -0.04 2.28 2.31 2dzdA1 PRO 110 HB3 -0.96 0.11 0.10 -0.04 2.02 1.23 2dzdA1 PRO 110 HG2 0.22 -0.03 -0.05 -0.04 2.03 2.14 2dzdA1 PRO 110 HG3 0.28 -0.03 -0.01 -0.04 2.03 2.23 2dzdA1 PRO 110 HD2 0.22 0.17 0.22 -0.04 3.68 4.25 2dzdA1 PRO 110 HD3 0.06 0.12 0.10 -0.04 3.65 3.89 2dzdA1 ASN 111 H 0.35 0.09 0.19 -0.55 8.53 8.62 2dzdA1 ASN 111 HA 0.06 0.23 0.62 -0.75 4.76 4.91 2dzdA1 ASN 111 HB2 -0.20 -0.03 0.11 -0.04 2.88 2.72 2dzdA1 ASN 111 HB3 -0.06 -0.10 0.15 -0.04 2.79 2.75 2dzdA1 ASN 111 HD21 0.19 0.08 0.00 -0.04 7.03 7.26 2dzdA1 ASN 111 HD22 0.09 0.02 0.00 -0.04 7.74 7.82 2dzdA1 GLU 112 H -0.04 0.23 0.17 -0.55 8.60 8.41 2dzdA1 GLU 112 HA -0.02 0.11 0.33 -0.75 4.29 3.96 2dzdA1 GLU 112 HB2 -0.05 0.02 0.12 -0.04 2.09 2.14 2dzdA1 GLU 112 HB3 -0.04 -0.01 0.05 -0.04 1.99 1.94 2dzdA1 GLU 112 HG2 -0.10 0.04 0.07 -0.04 2.34 2.31 2dzdA1 GLU 112 HG3 -0.11 0.05 0.05 -0.04 2.34 2.28 2dzdA1 ASN 113 H -0.11 0.16 -0.12 -0.55 8.53 7.91 2dzdA1 ASN 113 HA -0.06 0.05 0.43 -0.75 4.76 4.41 2dzdA1 ASN 113 HB2 -0.11 0.05 0.10 -0.04 2.88 2.88 2dzdA1 ASN 113 HB3 -0.11 -0.00 0.09 -0.04 2.79 2.73 2dzdA1 ASN 113 HD21 -0.24 0.14 -0.07 -0.04 7.03 6.83 2dzdA1 ASN 113 HD22 -0.13 -0.01 -0.04 -0.04 7.74 7.51 2dzdA1 HIS 114 H -0.08 0.19 -0.57 -0.55 8.41 7.40 2dzdA1 HIS 114 HA 0.03 0.12 0.59 -0.75 4.63 4.62 2dzdA1 HIS 114 HB2 0.10 0.30 0.11 -0.04 3.26 3.74 2dzdA1 HIS 114 HB3 0.38 0.01 -0.05 -0.04 3.20 3.50 2dzdA1 HIS 114 HD2 0.15 -0.01 -0.08 -0.04 6.97 6.99 2dzdA1 HIS 114 HE1 -0.03 0.32 0.02 -0.04 7.75 8.02 2dzdA1 LEU 115 H 0.14 0.35 -0.02 -0.55 8.37 8.30 2dzdA1 LEU 115 HA 0.22 0.09 0.34 -0.75 4.35 4.25 2dzdA1 LEU 115 HB2 0.05 -0.04 0.10 -0.04 1.64 1.71 2dzdA1 LEU 115 HB3 0.09 0.06 -0.04 -0.04 1.64 1.72 2dzdA1 LEU 115 HG 0.17 0.06 -0.14 -0.04 1.64 1.69 2dzdA1 LEU 115 HD13 -0.03 -0.03 -0.27 -0.04 0.93 0.57 2dzdA1 LEU 115 HD23 0.21 0.00 0.01 -0.04 0.89 1.08 2dzdA1 ASP 116 H 0.03 0.60 -0.16 -0.55 8.40 8.33 2dzdA1 ASP 116 HA 0.03 0.04 0.52 -0.75 4.63 4.46 2dzdA1 ASP 116 HB2 -0.01 -0.02 0.08 -0.04 2.71 2.72 2dzdA1 ASP 116 HB3 -0.03 0.04 0.14 -0.04 2.70 2.81 2dzdA1 MET 117 H -0.07 0.49 -0.16 -0.55 8.47 8.18 2dzdA1 MET 117 HA -0.11 -0.06 0.24 -0.75 4.52 3.84 2dzdA1 MET 117 HB2 -0.33 -0.04 0.05 -0.04 2.15 1.79 2dzdA1 MET 117 HB3 -0.19 0.08 0.18 -0.04 2.03 2.06 2dzdA1 MET 117 HG2 -0.26 0.07 0.28 -0.04 2.63 2.67 2dzdA1 MET 117 HG3 -1.53 -0.00 -0.27 -0.04 2.56 0.72 2dzdA1 MET 117 HE3 -0.08 -0.01 -0.07 -0.04 2.10 1.89 2dzdA1 PHE 118 H 0.07 0.32 -0.65 -0.55 8.34 7.53 2dzdA1 PHE 118 HA 0.08 0.13 0.88 -0.75 4.62 4.95 2dzdA1 PHE 118 HB2 0.11 0.18 0.02 -0.04 3.15 3.41 2dzdA1 PHE 118 HB3 0.07 0.02 0.13 -0.04 3.06 3.24 2dzdA1 PHE 118 HD2 0.14 0.01 -0.04 -0.04 7.28 7.36 2dzdA1 PHE 118 HE2 0.05 -0.01 -0.10 -0.04 7.38 7.28 2dzdA1 PHE 118 HZ 0.00 0.06 -0.15 -0.04 7.32 7.19 2dzdA1 GLY 119 H 0.10 0.41 -0.18 -0.55 8.43 8.21 2dzdA1 GLY 119 HA2 0.09 0.13 0.87 -0.51 4.01 4.59 2dzdA1 GLY 119 HA3 0.07 0.04 0.42 -0.51 4.01 4.03 2dzdA1 ASP 120 H 0.05 0.27 -0.14 -0.55 8.40 8.03 2dzdA1 ASP 120 HA 0.01 0.16 0.95 -0.75 4.63 5.00 2dzdA1 ASP 120 HB2 0.01 0.10 0.05 -0.04 2.71 2.83 2dzdA1 ASP 120 HB3 -0.00 0.01 0.17 -0.04 2.70 2.84 2dzdA1 LYS 121 H 0.00 0.23 0.12 -0.55 8.42 8.22 2dzdA1 LYS 121 HA 0.06 0.14 0.30 -0.75 4.32 4.07 2dzdA1 LYS 121 HB2 -0.03 -0.01 0.07 -0.04 1.87 1.86 2dzdA1 LYS 121 HB3 -0.01 0.08 0.08 -0.04 1.79 1.90 2dzdA1 LYS 121 HG2 0.00 0.07 -0.00 -0.04 1.46 1.49 2dzdA1 LYS 121 HG3 -0.01 -0.01 0.10 -0.04 1.46 1.49 2dzdA1 LYS 121 HD2 -0.05 -0.01 0.02 -0.04 1.69 1.61 2dzdA1 LYS 121 HD3 -0.04 0.04 0.02 -0.04 1.68 1.66 2dzdA1 LYS 121 HE2 -0.03 0.03 0.01 -0.04 2.99 2.96 2dzdA1 LYS 121 HE3 -0.03 0.00 0.02 -0.04 2.99 2.95 2dzdA1 VAL 122 H -0.03 0.04 -0.21 -0.55 8.24 7.48 2dzdA1 VAL 122 HA -0.14 0.16 0.55 -0.75 4.13 3.94 2dzdA1 VAL 122 HB -0.07 -0.05 0.07 -0.04 2.12 2.03 2dzdA1 VAL 122 HG13 -0.25 0.02 -0.09 -0.04 0.97 0.61 2dzdA1 VAL 122 HG23 -0.06 0.01 0.02 -0.04 0.95 0.89 2dzdA1 LYS 123 H -0.04 0.05 -0.13 -0.55 8.42 7.75 2dzdA1 LYS 123 HA 0.00 0.04 0.42 -0.75 4.32 4.02 2dzdA1 LYS 123 HB2 -0.03 0.28 0.19 -0.04 1.87 2.26 2dzdA1 LYS 123 HB3 -0.04 -0.00 0.12 -0.04 1.79 1.82 2dzdA1 LYS 123 HG2 0.00 -0.00 0.03 -0.04 1.46 1.44 2dzdA1 LYS 123 HG3 -0.02 -0.13 0.08 -0.04 1.46 1.35 2dzdA1 LYS 123 HD2 -0.02 0.10 -0.06 -0.04 1.69 1.68 2dzdA1 LYS 123 HD3 -0.03 0.01 -0.03 -0.04 1.68 1.59 2dzdA1 LYS 123 HE2 -0.00 0.00 -0.01 -0.04 2.99 2.94 2dzdA1 LYS 123 HE3 -0.00 -0.04 0.00 -0.04 2.99 2.90 2dzdA1 ALA 124 H 0.05 0.40 -0.20 -0.55 8.40 8.11 2dzdA1 ALA 124 HA 0.09 0.08 0.47 -0.75 4.34 4.23 2dzdA1 ALA 124 HB3 0.38 0.02 0.06 -0.04 1.41 1.83 2dzdA1 ARG 125 H 0.08 0.49 -0.11 -0.55 8.46 8.37 2dzdA1 ARG 125 HA 0.16 0.02 0.37 -0.75 4.34 4.13 2dzdA1 ARG 125 HB2 0.05 0.19 0.22 -0.04 1.90 2.32 2dzdA1 ARG 125 HB3 -0.09 0.05 0.16 -0.04 1.80 1.88 2dzdA1 ARG 125 HG2 0.06 -0.03 -0.07 -0.04 1.67 1.59 2dzdA1 ARG 125 HG3 0.11 -0.04 0.06 -0.04 1.67 1.77 2dzdA1 ARG 125 HD2 0.06 0.01 0.03 -0.04 3.22 3.28 2dzdA1 ARG 125 HD3 0.01 -0.03 -0.00 -0.04 3.22 3.16 2dzdA1 HIS 126 H -0.02 0.51 -0.33 -0.55 8.41 8.02 2dzdA1 HIS 126 HA 0.00 -0.00 0.46 -0.75 4.63 4.34 2dzdA1 HIS 126 HB2 -0.01 0.12 0.15 -0.04 3.26 3.48 2dzdA1 HIS 126 HB3 -0.01 -0.04 -0.01 -0.04 3.20 3.10 2dzdA1 HIS 126 HD2 0.02 -0.01 -0.07 -0.04 6.97 6.87 2dzdA1 HIS 126 HE1 0.01 -0.05 -0.03 -0.04 7.75 7.64 2dzdA1 ALA 127 H 0.04 0.47 -0.13 -0.55 8.40 8.24 2dzdA1 ALA 127 HA 0.00 -0.00 0.41 -0.75 4.34 3.99 2dzdA1 ALA 127 HB3 -0.02 0.03 0.11 -0.04 1.41 1.49 2dzdA1 ALA 128 H -0.15 0.67 -0.17 -0.55 8.40 8.21 2dzdA1 ALA 128 HA -0.20 0.00 0.33 -0.75 4.34 3.72 2dzdA1 ALA 128 HB3 -0.64 0.01 -0.02 -0.04 1.41 0.72 2dzdA1 VAL 129 H -0.01 0.47 -0.12 -0.55 8.24 8.03 2dzdA1 VAL 129 HA 0.01 0.12 0.49 -0.75 4.13 3.99 2dzdA1 VAL 129 HB 0.06 0.03 0.14 -0.04 2.12 2.30 2dzdA1 VAL 129 HG13 0.03 -0.02 -0.06 -0.04 0.97 0.87 2dzdA1 VAL 129 HG23 0.07 0.10 0.06 -0.04 0.95 1.14 2dzdA1 ASN 130 H 0.01 0.65 -0.05 -0.55 8.53 8.59 2dzdA1 ASN 130 HA -0.01 -0.05 0.43 -0.75 4.76 4.38 2dzdA1 ASN 130 HB2 -0.01 -0.09 0.12 -0.04 2.88 2.85 2dzdA1 ASN 130 HB3 -0.00 0.22 0.16 -0.04 2.79 3.12 2dzdA1 ASN 130 HD21 -0.00 -0.03 0.00 -0.04 7.03 6.96 2dzdA1 ASN 130 HD22 -0.01 -0.07 0.04 -0.04 7.74 7.66 2dzdA1 ALA 131 H -0.01 0.24 -0.61 -0.55 8.40 7.48 2dzdA1 ALA 131 HA 0.01 0.08 0.48 -0.75 4.34 4.15 2dzdA1 ALA 131 HB3 0.01 0.01 0.03 -0.04 1.41 1.41 2dzdA1 GLY 132 H 0.00 0.37 -0.28 -0.55 8.43 7.97 2dzdA1 GLY 132 HA2 0.00 0.01 0.26 -0.51 4.01 3.77 2dzdA1 GLY 132 HA3 0.01 0.04 0.47 -0.51 4.01 4.03 2dzdA1 ILE 133 H 0.01 0.49 0.04 -0.55 8.25 8.23 2dzdA1 ILE 133 HA 0.05 0.16 0.92 -0.75 4.18 4.55 2dzdA1 ILE 133 HB 0.02 0.02 0.05 -0.04 1.89 1.94 2dzdA1 ILE 133 HG12 0.22 0.01 -0.05 -0.04 1.49 1.62 2dzdA1 ILE 133 HG13 0.22 -0.05 0.03 -0.04 1.21 1.37 2dzdA1 ILE 133 HG23 0.27 -0.01 -0.21 -0.04 0.93 0.94 2dzdA1 ILE 133 HD13 0.07 -0.01 -0.37 -0.04 0.88 0.52 2dzdA1 PRO 134 HA -0.02 0.03 0.46 -0.51 4.44 4.40 2dzdA1 PRO 134 HB2 -0.31 0.08 0.10 -0.04 2.28 2.12 2dzdA1 PRO 134 HB3 -0.23 -0.01 0.15 -0.04 2.02 1.90 2dzdA1 PRO 134 HG2 -0.75 0.11 0.17 -0.04 2.03 1.52 2dzdA1 PRO 134 HG3 -0.78 -0.02 0.16 -0.04 2.03 1.35 2dzdA1 PRO 134 HD2 -0.07 0.04 0.22 -0.04 3.68 3.83 2dzdA1 PRO 134 HD3 -0.15 0.20 0.24 -0.04 3.65 3.89 2dzdA1 VAL 135 H 0.09 0.18 0.24 -0.55 8.24 8.19 2dzdA1 VAL 135 HA 0.25 0.17 0.86 -0.75 4.13 4.66 2dzdA1 VAL 135 HB 0.10 -0.03 0.04 -0.04 2.12 2.18 2dzdA1 VAL 135 HG13 0.12 0.02 -0.03 -0.04 0.97 1.04 2dzdA1 VAL 135 HG23 0.19 0.06 -0.11 -0.04 0.95 1.04 2dzdA1 ILE 136 H 0.12 0.21 0.14 -0.55 8.25 8.17 2dzdA1 ILE 136 HA -0.09 0.13 0.63 -0.75 4.18 4.09 2dzdA1 ILE 136 HB -0.02 -0.03 0.13 -0.04 1.89 1.93 2dzdA1 ILE 136 HG12 -0.38 0.01 -0.04 -0.04 1.49 1.04 2dzdA1 ILE 136 HG13 0.04 0.01 -0.03 -0.04 1.21 1.19 2dzdA1 ILE 136 HG23 -0.12 0.00 -0.10 -0.04 0.93 0.67 2dzdA1 ILE 136 HD13 -0.08 -0.01 -0.02 -0.04 0.88 0.72 2dzdA1 PRO 137 HA -0.07 0.04 0.45 -0.51 4.44 4.35 2dzdA1 PRO 137 HB2 -0.72 -0.06 0.08 -0.04 2.28 1.55 2dzdA1 PRO 137 HB3 -1.09 0.02 0.05 -0.04 2.02 0.97 2dzdA1 PRO 137 HG2 -0.33 0.07 0.11 -0.04 2.03 1.84 2dzdA1 PRO 137 HG3 -0.17 0.07 0.10 -0.04 2.03 1.99 2dzdA1 PRO 137 HD2 -0.22 0.06 0.23 -0.04 3.68 3.71 2dzdA1 PRO 137 HD3 -0.00 0.33 0.38 -0.04 3.65 4.32 2dzdA1 GLY 138 H 0.11 0.29 0.27 -0.55 8.43 8.55 2dzdA1 GLY 138 HA2 0.15 0.07 0.71 -0.51 4.01 4.43 2dzdA1 GLY 138 HA3 0.07 0.09 0.41 -0.51 4.01 4.07 2dzdA1 SER 139 H -0.08 0.43 0.31 -0.55 8.46 8.58 2dzdA1 SER 139 HA 0.11 0.03 0.75 -0.75 4.49 4.63 2dzdA1 SER 139 HB2 -0.03 -0.04 0.07 -0.04 3.95 3.91 2dzdA1 SER 139 HB3 -0.06 -0.08 0.15 -0.04 3.93 3.90 2dzdA1 ASP 140 H 0.07 0.03 0.18 -0.55 8.40 8.14 2dzdA1 ASP 140 HA 0.11 0.14 0.50 -0.75 4.63 4.63 2dzdA1 ASP 140 HB2 0.09 0.01 0.04 -0.04 2.71 2.81 2dzdA1 ASP 140 HB3 0.09 0.04 0.10 -0.04 2.70 2.89 2dzdA1 GLY 141 H -0.02 -0.06 -0.03 -0.55 8.43 7.78 2dzdA1 GLY 141 HA2 -0.04 0.23 0.77 -0.51 4.01 4.46 2dzdA1 GLY 141 HA3 -0.11 0.03 0.31 -0.51 4.01 3.73 2dzdA1 PRO 142 HA -0.72 0.17 0.74 -0.51 4.44 4.11 2dzdA1 PRO 142 HB2 -0.18 0.06 0.05 -0.04 2.28 2.17 2dzdA1 PRO 142 HB3 -0.39 -0.05 -0.05 -0.04 2.02 1.49 2dzdA1 PRO 142 HG2 -0.15 0.03 0.08 -0.04 2.03 1.95 2dzdA1 PRO 142 HG3 -0.14 0.01 0.04 -0.04 2.03 1.90 2dzdA1 PRO 142 HD2 -0.19 0.07 0.20 -0.04 3.68 3.71 2dzdA1 PRO 142 HD3 -0.38 0.16 0.07 -0.04 3.65 3.46 2dzdA1 VAL 143 H -0.13 0.26 0.26 -0.55 8.24 8.07 2dzdA1 VAL 143 HA -0.06 0.02 0.33 -0.75 4.13 3.66 2dzdA1 VAL 143 HB -0.03 -0.16 0.08 -0.04 2.12 1.97 2dzdA1 VAL 143 HG13 -0.08 0.01 0.00 -0.04 0.97 0.86 2dzdA1 VAL 143 HG23 0.13 0.04 -0.13 -0.04 0.95 0.95 2dzdA1 ASP 144 H -0.02 0.04 0.18 -0.55 8.40 8.05 2dzdA1 ASP 144 HA 0.01 0.22 0.63 -0.75 4.63 4.73 2dzdA1 ASP 144 HB2 -0.01 -0.11 0.12 -0.04 2.71 2.67 2dzdA1 ASP 144 HB3 0.00 0.01 0.02 -0.04 2.70 2.70 2dzdA1 GLY 145 H -0.02 0.05 0.06 -0.55 8.43 7.97 2dzdA1 GLY 145 HA2 0.16 0.25 0.35 -0.51 4.01 4.26 2dzdA1 GLY 145 HA3 -0.01 0.05 0.35 -0.51 4.01 3.89 2dzdA1 LEU 146 H -0.21 0.25 0.14 -0.55 8.37 8.00 2dzdA1 LEU 146 HA -1.08 0.12 0.33 -0.75 4.35 2.96 2dzdA1 LEU 146 HB2 -0.25 0.08 0.15 -0.04 1.64 1.58 2dzdA1 LEU 146 HB3 -0.16 -0.00 0.13 -0.04 1.64 1.57 2dzdA1 LEU 146 HG -0.06 0.05 0.02 -0.04 1.64 1.61 2dzdA1 LEU 146 HD13 -0.10 -0.02 -0.19 -0.04 0.93 0.58 2dzdA1 LEU 146 HD23 -0.31 -0.01 -0.01 -0.04 0.89 0.52 2dzdA1 GLU 147 H -0.12 0.15 -0.07 -0.55 8.60 8.02 2dzdA1 GLU 147 HA -0.06 0.07 0.29 -0.75 4.29 3.83 2dzdA1 GLU 147 HB2 -0.04 0.03 0.08 -0.04 2.09 2.12 2dzdA1 GLU 147 HB3 -0.04 0.01 -0.02 -0.04 1.99 1.90 2dzdA1 GLU 147 HG2 -0.02 0.06 -0.01 -0.04 2.34 2.33 2dzdA1 GLU 147 HG3 -0.02 0.03 -0.08 -0.04 2.34 2.23 2dzdA1 ASP 148 H -0.11 0.12 -0.60 -0.55 8.40 7.27 2dzdA1 ASP 148 HA -0.01 0.13 0.54 -0.75 4.63 4.54 2dzdA1 ASP 148 HB2 -0.07 0.20 0.17 -0.04 2.71 2.98 2dzdA1 ASP 148 HB3 -0.02 0.06 0.02 -0.04 2.70 2.71 2dzdA1 VAL 149 H -0.17 0.35 0.00 -0.55 8.24 7.88 2dzdA1 VAL 149 HA -0.03 0.07 0.41 -0.75 4.13 3.83 2dzdA1 VAL 149 HB -0.18 0.05 0.09 -0.04 2.12 2.04 2dzdA1 VAL 149 HG13 0.01 0.00 -0.09 -0.04 0.97 0.85 2dzdA1 VAL 149 HG23 -0.14 0.04 -0.01 -0.04 0.95 0.81 2dzdA1 VAL 150 H -0.07 0.54 -0.09 -0.55 8.24 8.07 2dzdA1 VAL 150 HA 0.05 0.02 0.40 -0.75 4.13 3.84 2dzdA1 VAL 150 HB -0.03 0.04 0.09 -0.04 2.12 2.19 2dzdA1 VAL 150 HG13 0.02 0.01 -0.18 -0.04 0.97 0.77 2dzdA1 VAL 150 HG23 -0.01 0.01 -0.05 -0.04 0.95 0.86 2dzdA1 ALA 151 H 0.01 0.43 -0.26 -0.55 8.40 8.03 2dzdA1 ALA 151 HA -0.02 0.04 0.35 -0.75 4.34 3.96 2dzdA1 ALA 151 HB3 -0.01 0.02 0.09 -0.04 1.41 1.48 2dzdA1 PHE 152 H 0.15 0.61 -0.09 -0.55 8.34 8.46 2dzdA1 PHE 152 HA -0.01 0.07 0.52 -0.75 4.62 4.45 2dzdA1 PHE 152 HB2 0.01 0.01 0.08 -0.04 3.15 3.21 2dzdA1 PHE 152 HB3 -0.02 0.06 0.10 -0.04 3.06 3.17 2dzdA1 PHE 152 HD2 0.03 0.00 -0.30 -0.04 7.28 6.97 2dzdA1 PHE 152 HE2 -0.02 0.03 -0.42 -0.04 7.38 6.92 2dzdA1 PHE 152 HZ -0.13 0.23 -0.42 -0.04 7.32 6.96 2dzdA1 ALA 153 H 0.09 0.48 -0.36 -0.55 8.40 8.06 2dzdA1 ALA 153 HA -0.18 0.08 0.30 -0.75 4.34 3.79 2dzdA1 ALA 153 HB3 -0.53 0.02 0.01 -0.04 1.41 0.87 2dzdA1 GLU 154 H -0.07 0.39 -0.11 -0.55 8.60 8.27 2dzdA1 GLU 154 HA -0.05 0.01 0.50 -0.75 4.29 3.99 2dzdA1 GLU 154 HB2 -0.06 0.08 0.11 -0.04 2.09 2.18 2dzdA1 GLU 154 HB3 -0.04 -0.02 0.06 -0.04 1.99 1.94 2dzdA1 GLU 154 HG2 0.02 -0.07 0.01 -0.04 2.34 2.26 2dzdA1 GLU 154 HG3 -0.00 0.35 0.04 -0.04 2.34 2.68 2dzdA1 ALA 155 H -0.23 0.30 -0.47 -0.55 8.40 7.46 2dzdA1 ALA 155 HA -0.26 0.06 0.56 -0.75 4.34 3.95 2dzdA1 ALA 155 HB3 -0.53 -0.00 0.10 -0.04 1.41 0.93 2dzdA1 HIS 156 H -0.30 0.14 -0.18 -0.55 8.41 7.53 2dzdA1 HIS 156 HA -0.15 0.20 1.00 -0.75 4.63 4.92 2dzdA1 HIS 156 HB2 -0.51 0.02 -0.03 -0.04 3.26 2.70 2dzdA1 HIS 156 HB3 -0.22 0.00 0.08 -0.04 3.20 3.01 2dzdA1 HIS 156 HD2 -0.14 0.04 -0.00 -0.04 6.97 6.82 2dzdA1 HIS 156 HE1 -0.36 -0.06 -0.07 -0.04 7.75 7.22 2dzdA1 GLY 157 H -0.14 0.37 0.01 -0.55 8.43 8.12 2dzdA1 GLY 157 HA2 -0.03 -0.08 0.40 -0.51 4.01 3.79 2dzdA1 GLY 157 HA3 0.01 0.11 0.41 -0.51 4.01 4.03 2dzdA1 TYR 158 H 0.22 -0.01 0.10 -0.55 8.29 8.06 2dzdA1 TYR 158 HA 0.07 0.04 0.28 -0.75 4.56 4.20 2dzdA1 TYR 158 HB2 0.04 0.07 0.01 -0.04 3.06 3.14 2dzdA1 TYR 158 HB3 0.04 -0.02 0.08 -0.04 2.98 3.04 2dzdA1 TYR 158 HD2 0.05 0.07 -0.12 -0.04 7.15 7.10 2dzdA1 TYR 158 HE2 0.04 -0.01 -0.16 -0.04 6.85 6.69 2dzdA1 PRO 159 HA 0.26 0.07 0.60 -0.51 4.44 4.87 2dzdA1 PRO 159 HB2 0.09 0.02 0.00 -0.04 2.28 2.35 2dzdA1 PRO 159 HB3 0.09 -0.08 0.11 -0.04 2.02 2.11 2dzdA1 PRO 159 HG2 0.06 0.17 0.13 -0.04 2.03 2.35 2dzdA1 PRO 159 HG3 0.06 -0.05 0.09 -0.04 2.03 2.09 2dzdA1 PRO 159 HD2 0.07 0.17 0.35 -0.04 3.68 4.23 2dzdA1 PRO 159 HD3 0.09 0.02 0.25 -0.04 3.65 3.96 2dzdA1 ILE 160 H 0.24 0.54 0.40 -0.55 8.25 8.88 2dzdA1 ILE 160 HA 0.10 0.15 1.05 -0.75 4.18 4.72 2dzdA1 ILE 160 HB 0.15 -0.12 0.02 -0.04 1.89 1.90 2dzdA1 ILE 160 HG12 -0.08 -0.11 -0.34 -0.04 1.49 0.92 2dzdA1 ILE 160 HG13 -0.11 -0.09 -0.16 -0.04 1.21 0.80 2dzdA1 ILE 160 HG23 0.06 0.03 0.02 -0.04 0.93 1.00 2dzdA1 ILE 160 HD13 0.26 0.04 -0.17 -0.04 0.88 0.97 2dzdA1 ILE 161 H 0.03 0.64 0.32 -0.55 8.25 8.68 2dzdA1 ILE 161 HA 0.05 0.21 0.89 -0.75 4.18 4.57 2dzdA1 ILE 161 HB 0.03 0.00 -0.28 -0.04 1.89 1.59 2dzdA1 ILE 161 HG12 0.01 0.01 -0.36 -0.04 1.49 1.11 2dzdA1 ILE 161 HG13 0.03 0.00 -0.32 -0.04 1.21 0.88 2dzdA1 ILE 161 HG23 -0.01 0.03 -0.18 -0.04 0.93 0.73 2dzdA1 ILE 161 HD13 0.01 -0.01 -0.20 -0.04 0.88 0.64 2dzdA1 ILE 162 H 0.04 0.75 0.33 -0.55 8.25 8.82 2dzdA1 ILE 162 HA 0.01 0.26 1.02 -0.75 4.18 4.71 2dzdA1 ILE 162 HB 0.06 -0.01 0.16 -0.04 1.89 2.06 2dzdA1 ILE 162 HG12 0.06 -0.00 -0.08 -0.04 1.49 1.44 2dzdA1 ILE 162 HG13 0.06 -0.09 -0.20 -0.04 1.21 0.94 2dzdA1 ILE 162 HG23 0.08 0.02 -0.14 -0.04 0.93 0.84 2dzdA1 ILE 162 HD13 0.16 -0.01 -0.15 -0.04 0.88 0.83 2dzdA1 LYS 163 H 0.04 0.58 0.30 -0.55 8.42 8.78 2dzdA1 LYS 163 HA 0.02 0.24 1.07 -0.75 4.32 4.90 2dzdA1 LYS 163 HB2 -0.03 -0.07 -0.00 -0.04 1.87 1.73 2dzdA1 LYS 163 HB3 -0.06 0.19 -0.03 -0.04 1.79 1.86 2dzdA1 LYS 163 HG2 -0.02 -0.04 -0.28 -0.04 1.46 1.08 2dzdA1 LYS 163 HG3 -0.02 -0.03 -0.34 -0.04 1.46 1.03 2dzdA1 LYS 163 HD2 -0.08 0.03 -0.13 -0.04 1.69 1.46 2dzdA1 LYS 163 HD3 -0.07 0.01 -0.10 -0.04 1.68 1.47 2dzdA1 LYS 163 HE2 -0.04 -0.05 -0.17 -0.04 2.99 2.69 2dzdA1 LYS 163 HE3 -0.04 0.00 -0.19 -0.04 2.99 2.72 2dzdA1 ALA 164 H 0.03 0.69 0.36 -0.55 8.40 8.93 2dzdA1 ALA 164 HA 0.07 0.10 0.66 -0.75 4.34 4.42 2dzdA1 ALA 164 HB3 0.09 0.01 0.21 -0.04 1.41 1.68 2dzdA1 ALA 165 H 0.08 0.75 0.36 -0.55 8.40 9.05 2dzdA1 ALA 165 HA 0.01 0.11 0.40 -0.75 4.34 4.11 2dzdA1 ALA 165 HB3 0.22 -0.03 -0.05 -0.04 1.41 1.50 2dzdA1 LEU 166 H -0.07 0.13 -0.00 -0.55 8.37 7.88 2dzdA1 LEU 166 HA -0.16 0.16 0.61 -0.75 4.35 4.20 2dzdA1 LEU 166 HB2 -0.02 -0.01 0.02 -0.04 1.64 1.60 2dzdA1 LEU 166 HB3 -0.07 0.08 0.12 -0.04 1.64 1.73 2dzdA1 LEU 166 HG 0.01 -0.10 -0.04 -0.04 1.64 1.48 2dzdA1 LEU 166 HD13 0.05 0.00 -0.08 -0.04 0.93 0.86 2dzdA1 LEU 166 HD23 -0.02 0.03 -0.09 -0.04 0.89 0.76 2dzdA1 GLY 167 H -0.45 0.09 -0.68 -0.55 8.43 6.85 2dzdA1 GLY 167 HA2 -1.83 0.04 0.44 -0.51 4.01 2.14 2dzdA1 GLY 167 HA3 -0.60 0.15 0.19 -0.51 4.01 3.24 2dzdA1 GLY 168 H -0.30 -0.01 -0.80 -0.55 8.43 6.77 2dzdA1 GLY 168 HA2 -0.17 0.02 0.22 -0.51 4.01 3.57 2dzdA1 GLY 168 HA3 -0.15 0.01 0.46 -0.51 4.01 3.82 2dzdA1 GLY 169 H -0.10 0.06 0.15 -0.55 8.43 7.99 2dzdA1 GLY 169 HA2 -0.10 0.12 0.77 -0.51 4.01 4.28 2dzdA1 GLY 169 HA3 -0.09 -0.02 0.31 -0.51 4.01 3.70 2dzdA1 GLY 170 H -0.06 0.12 0.05 -0.55 8.43 7.98 2dzdA1 GLY 170 HA2 -0.04 -0.04 0.25 -0.51 4.01 3.67 2dzdA1 GLY 170 HA3 -0.04 0.11 0.09 -0.51 4.01 3.66 2dzdA1 ARG 171 H -0.03 0.37 -0.38 -0.55 8.46 7.86 2dzdA1 ARG 171 HA 0.05 0.03 0.54 -0.75 4.34 4.21 2dzdA1 ARG 171 HB2 0.20 -0.08 0.04 -0.04 1.90 2.01 2dzdA1 ARG 171 HB3 0.07 0.08 0.01 -0.04 1.80 1.92 2dzdA1 ARG 171 HG2 -0.00 0.13 -0.18 -0.04 1.67 1.58 2dzdA1 ARG 171 HG3 0.01 0.02 -0.06 -0.04 1.67 1.60 2dzdA1 ARG 171 HD2 0.30 -0.06 -0.05 -0.04 3.22 3.37 2dzdA1 ARG 171 HD3 0.09 -0.05 -0.06 -0.04 3.22 3.17 2dzdA1 GLY 172 H 0.12 0.15 0.13 -0.55 8.43 8.29 2dzdA1 GLY 172 HA2 0.13 0.03 0.32 -0.51 4.01 3.99 2dzdA1 GLY 172 HA3 0.30 0.06 0.59 -0.51 4.01 4.45 2dzdA1 MET 173 H 0.05 0.09 -0.05 -0.55 8.47 8.01 2dzdA1 MET 173 HA 0.03 0.40 1.08 -0.75 4.52 5.27 2dzdA1 MET 173 HB2 0.02 -0.03 -0.09 -0.04 2.15 2.00 2dzdA1 MET 173 HB3 0.01 -0.00 -0.12 -0.04 2.03 1.87 2dzdA1 MET 173 HG2 -0.01 0.12 -0.27 -0.04 2.63 2.43 2dzdA1 MET 173 HG3 0.00 -0.08 -0.49 -0.04 2.56 1.94 2dzdA1 MET 173 HE3 -0.02 0.01 -0.15 -0.04 2.10 1.90 2dzdA1 ARG 174 H 0.03 0.66 0.27 -0.55 8.46 8.88 2dzdA1 ARG 174 HA 0.03 0.13 0.93 -0.75 4.34 4.68 2dzdA1 ARG 174 HB2 0.03 0.02 -0.16 -0.04 1.90 1.75 2dzdA1 ARG 174 HB3 0.05 -0.03 0.11 -0.04 1.80 1.88 2dzdA1 ARG 174 HG2 0.05 0.01 -0.27 -0.04 1.67 1.41 2dzdA1 ARG 174 HG3 0.03 0.01 0.04 -0.04 1.67 1.70 2dzdA1 ARG 174 HD2 0.05 0.22 0.05 -0.04 3.22 3.50 2dzdA1 ARG 174 HD3 0.04 -0.11 0.02 -0.04 3.22 3.13 2dzdA1 ILE 175 H 0.04 0.17 0.13 -0.55 8.25 8.04 2dzdA1 ILE 175 HA 0.06 0.22 0.90 -0.75 4.18 4.60 2dzdA1 ILE 175 HB 0.04 -0.04 0.09 -0.04 1.89 1.95 2dzdA1 ILE 175 HG12 0.04 0.05 -0.08 -0.04 1.49 1.46 2dzdA1 ILE 175 HG13 0.03 -0.05 -0.07 -0.04 1.21 1.09 2dzdA1 ILE 175 HG23 0.06 0.01 -0.17 -0.04 0.93 0.79 2dzdA1 ILE 175 HD13 0.04 0.01 -0.06 -0.04 0.88 0.82 2dzdA1 VAL 176 H 0.10 0.76 0.29 -0.55 8.24 8.84 2dzdA1 VAL 176 HA 0.06 0.13 0.89 -0.75 4.13 4.46 2dzdA1 VAL 176 HB 0.22 -0.01 0.03 -0.04 2.12 2.32 2dzdA1 VAL 176 HG13 0.14 -0.05 -0.20 -0.04 0.97 0.82 2dzdA1 VAL 176 HG23 0.11 0.03 -0.26 -0.04 0.95 0.78 2dzdA1 ARG 177 H -0.01 0.12 0.14 -0.55 8.46 8.16 2dzdA1 ARG 177 HA 0.08 0.19 0.99 -0.75 4.34 4.85 2dzdA1 ARG 177 HB2 -0.02 -0.02 0.04 -0.04 1.90 1.87 2dzdA1 ARG 177 HB3 0.00 0.05 0.07 -0.04 1.80 1.88 2dzdA1 ARG 177 HG2 0.05 0.07 -0.06 -0.04 1.67 1.69 2dzdA1 ARG 177 HG3 0.04 -0.07 -0.27 -0.04 1.67 1.33 2dzdA1 ARG 177 HD2 0.01 -0.01 -0.04 -0.04 3.22 3.15 2dzdA1 ARG 177 HD3 0.02 0.03 -0.03 -0.04 3.22 3.20 2dzdA1 SER 178 H -0.21 0.08 0.11 -0.55 8.46 7.89 2dzdA1 SER 178 HA -0.57 0.29 0.89 -0.75 4.49 4.35 2dzdA1 SER 178 HB2 -0.14 -0.04 -0.05 -0.04 3.95 3.69 2dzdA1 SER 178 HB3 -0.16 -0.08 0.08 -0.04 3.93 3.73 2dzdA1 LYS 179 H -0.35 0.27 0.16 -0.55 8.42 7.95 2dzdA1 LYS 179 HA -0.06 0.12 0.54 -0.75 4.32 4.17 2dzdA1 LYS 179 HB2 0.04 0.10 0.12 -0.04 1.87 2.09 2dzdA1 LYS 179 HB3 -0.02 0.04 0.08 -0.04 1.79 1.85 2dzdA1 LYS 179 HG2 0.06 -0.09 0.06 -0.04 1.46 1.44 2dzdA1 LYS 179 HG3 0.18 0.05 0.05 -0.04 1.46 1.69 2dzdA1 LYS 179 HD2 0.07 0.07 -0.00 -0.04 1.69 1.79 2dzdA1 LYS 179 HD3 0.03 0.01 -0.04 -0.04 1.68 1.64 2dzdA1 LYS 179 HE2 0.03 -0.05 -0.02 -0.04 2.99 2.91 2dzdA1 LYS 179 HE3 0.06 0.00 -0.01 -0.04 2.99 2.99 2dzdA1 SER 180 H -0.10 0.14 -0.11 -0.55 8.46 7.84 2dzdA1 SER 180 HA -0.01 0.11 0.31 -0.75 4.49 4.14 2dzdA1 SER 180 HB2 -0.02 0.06 0.14 -0.04 3.95 4.10 2dzdA1 SER 180 HB3 -0.03 0.03 0.09 -0.04 3.93 3.98 2dzdA1 GLU 181 H -0.05 0.12 -1.31 -0.55 8.60 6.81 2dzdA1 GLU 181 HA -0.00 0.19 0.61 -0.75 4.29 4.33 2dzdA1 GLU 181 HB2 -0.05 -0.05 -0.13 -0.04 2.09 1.82 2dzdA1 GLU 181 HB3 -0.06 0.22 0.06 -0.04 1.99 2.16 2dzdA1 GLU 181 HG2 0.02 0.02 0.03 -0.04 2.34 2.36 2dzdA1 GLU 181 HG3 0.00 0.06 0.06 -0.04 2.34 2.42 2dzdA1 VAL 182 H 0.02 0.36 0.03 -0.55 8.24 8.10 2dzdA1 VAL 182 HA 0.10 0.11 0.14 -0.75 4.13 3.72 2dzdA1 VAL 182 HB 0.17 0.06 0.08 -0.04 2.12 2.40 2dzdA1 VAL 182 HG13 0.07 0.12 0.08 -0.04 0.97 1.19 2dzdA1 VAL 182 HG23 0.10 0.00 -0.14 -0.04 0.95 0.88 2dzdA1 LYS 183 H 0.05 0.19 -0.10 -0.55 8.42 8.00 2dzdA1 LYS 183 HA 0.08 0.06 0.30 -0.75 4.32 4.00 2dzdA1 LYS 183 HB2 0.04 0.03 0.07 -0.04 1.87 1.96 2dzdA1 LYS 183 HB3 0.04 0.02 0.08 -0.04 1.79 1.89 2dzdA1 LYS 183 HG2 0.05 0.03 -0.23 -0.04 1.46 1.27 2dzdA1 LYS 183 HG3 0.08 -0.04 -0.11 -0.04 1.46 1.35 2dzdA1 LYS 183 HD2 0.03 0.01 -0.01 -0.04 1.69 1.68 2dzdA1 LYS 183 HD3 0.03 0.05 -0.04 -0.04 1.68 1.68 2dzdA1 LYS 183 HE2 0.04 -0.06 0.00 -0.04 2.99 2.93 2dzdA1 LYS 183 HE3 0.03 0.04 -0.01 -0.04 2.99 3.01 2dzdA1 GLU 184 H 0.05 0.16 -0.14 -0.55 8.60 8.13 2dzdA1 GLU 184 HA 0.06 0.07 0.45 -0.75 4.29 4.11 2dzdA1 GLU 184 HB2 0.03 0.01 0.09 -0.04 2.09 2.18 2dzdA1 GLU 184 HB3 0.03 0.08 0.07 -0.04 1.99 2.14 2dzdA1 GLU 184 HG2 0.02 0.02 -0.14 -0.04 2.34 2.20 2dzdA1 GLU 184 HG3 0.02 -0.02 0.04 -0.04 2.34 2.35 2dzdA1 ALA 185 H 0.07 0.32 -0.23 -0.55 8.40 8.02 2dzdA1 ALA 185 HA 0.05 0.04 0.26 -0.75 4.34 3.93 2dzdA1 ALA 185 HB3 0.07 0.02 0.02 -0.04 1.41 1.49 2dzdA1 PHE 186 H 0.22 0.35 -0.49 -0.55 8.34 7.87 2dzdA1 PHE 186 HA 0.02 0.10 0.60 -0.75 4.62 4.58 2dzdA1 PHE 186 HB2 0.02 -0.01 0.04 -0.04 3.15 3.17 2dzdA1 PHE 186 HB3 0.02 0.11 0.18 -0.04 3.06 3.33 2dzdA1 PHE 186 HD2 0.01 0.04 -0.07 -0.04 7.28 7.22 2dzdA1 PHE 186 HE2 -0.01 0.02 -0.12 -0.04 7.38 7.23 2dzdA1 PHE 186 HZ -0.01 0.05 -0.17 -0.04 7.32 7.15 2dzdA1 GLU 187 H 0.17 0.49 0.08 -0.55 8.60 8.80 2dzdA1 GLU 187 HA -0.20 0.01 0.37 -0.75 4.29 3.72 2dzdA1 GLU 187 HB2 0.10 0.08 0.21 -0.04 2.09 2.44 2dzdA1 GLU 187 HB3 0.02 0.04 0.14 -0.04 1.99 2.15 2dzdA1 GLU 187 HG2 -0.01 0.00 -0.02 -0.04 2.34 2.26 2dzdA1 GLU 187 HG3 0.01 -0.03 0.08 -0.04 2.34 2.37 2dzdA1 ARG 188 H -0.01 0.63 -0.15 -0.55 8.46 8.38 2dzdA1 ARG 188 HA -0.04 -0.01 0.37 -0.75 4.34 3.91 2dzdA1 ARG 188 HB2 0.01 0.27 0.07 -0.04 1.90 2.21 2dzdA1 ARG 188 HB3 -0.01 0.05 -0.12 -0.04 1.80 1.68 2dzdA1 ARG 188 HG2 -0.01 -0.02 -0.01 -0.04 1.67 1.59 2dzdA1 ARG 188 HG3 -0.01 -0.03 0.00 -0.04 1.67 1.60 2dzdA1 ARG 188 HD2 0.01 -0.01 -0.10 -0.04 3.22 3.08 2dzdA1 ARG 188 HD3 0.00 0.02 -0.06 -0.04 3.22 3.13 2dzdA1 ALA 189 H -0.06 0.33 -0.41 -0.55 8.40 7.72 2dzdA1 ALA 189 HA -0.02 -0.01 0.28 -0.75 4.34 3.84 2dzdA1 ALA 189 HB3 -0.03 0.04 0.06 -0.04 1.41 1.45 2dzdA1 LYS 190 H -0.23 0.43 -0.41 -0.55 8.42 7.65 2dzdA1 LYS 190 HA -0.12 0.17 0.54 -0.75 4.32 4.15 2dzdA1 LYS 190 HB2 -0.21 0.10 0.24 -0.04 1.87 1.96 2dzdA1 LYS 190 HB3 -0.16 -0.06 0.09 -0.04 1.79 1.61 2dzdA1 LYS 190 HG2 -0.68 0.05 0.01 -0.04 1.46 0.80 2dzdA1 LYS 190 HG3 -0.73 -0.10 0.00 -0.04 1.46 0.59 2dzdA1 LYS 190 HD2 -0.20 0.36 0.09 -0.04 1.69 1.89 2dzdA1 LYS 190 HD3 -0.51 -0.10 -0.05 -0.04 1.68 0.97 2dzdA1 LYS 190 HE2 -0.13 -0.08 -0.01 -0.04 2.99 2.72 2dzdA1 LYS 190 HE3 -0.12 -0.03 0.01 -0.04 2.99 2.82 2dzdA1 SER 191 H -0.09 0.48 0.08 -0.55 8.46 8.38 2dzdA1 SER 191 HA -0.05 0.00 0.19 -0.75 4.49 3.88 2dzdA1 SER 191 HB2 -0.04 -0.02 0.07 -0.04 3.95 3.92 2dzdA1 SER 191 HB3 -0.05 0.02 0.13 -0.04 3.93 3.99 2dzdA1 GLU 192 H -0.05 0.52 -0.35 -0.55 8.60 8.17 2dzdA1 GLU 192 HA -0.07 0.06 0.57 -0.75 4.29 4.10 2dzdA1 GLU 192 HB2 -0.03 0.15 0.07 -0.04 2.09 2.23 2dzdA1 GLU 192 HB3 -0.04 -0.04 -0.05 -0.04 1.99 1.81 2dzdA1 GLU 192 HG2 -0.04 -0.03 -0.02 -0.04 2.34 2.22 2dzdA1 GLU 192 HG3 -0.02 -0.02 -0.05 -0.04 2.34 2.20 2dzdA1 ALA 193 H -0.00 0.49 -0.10 -0.55 8.40 8.24 2dzdA1 ALA 193 HA 0.08 -0.01 0.56 -0.75 4.34 4.22 2dzdA1 ALA 193 HB3 0.16 0.02 0.21 -0.04 1.41 1.75 2dzdA1 LYS 194 H -0.02 0.52 -0.29 -0.55 8.42 8.08 2dzdA1 LYS 194 HA 0.03 -0.08 0.09 -0.75 4.32 3.60 2dzdA1 LYS 194 HB2 -0.01 -0.03 -0.17 -0.04 1.87 1.61 2dzdA1 LYS 194 HB3 -0.03 0.13 -0.04 -0.04 1.79 1.81 2dzdA1 LYS 194 HG2 -0.01 0.05 -0.23 -0.04 1.46 1.22 2dzdA1 LYS 194 HG3 0.00 -0.04 -0.20 -0.04 1.46 1.18 2dzdA1 LYS 194 HD2 -0.02 -0.05 -0.08 -0.04 1.69 1.50 2dzdA1 LYS 194 HD3 -0.02 0.02 -0.08 -0.04 1.68 1.56 2dzdA1 LYS 194 HE2 -0.01 -0.03 -0.03 -0.04 2.99 2.88 2dzdA1 LYS 194 HE3 -0.01 0.02 -0.05 -0.04 2.99 2.91 2dzdA1 ALA 195 H -0.07 0.30 -0.34 -0.55 8.40 7.75 2dzdA1 ALA 195 HA -0.06 0.08 0.50 -0.75 4.34 4.11 2dzdA1 ALA 195 HB3 -0.08 0.01 0.11 -0.04 1.41 1.41 2dzdA1 ALA 196 H -0.27 0.36 -0.15 -0.55 8.40 7.80 2dzdA1 ALA 196 HA -0.28 0.14 0.59 -0.75 4.34 4.03 2dzdA1 ALA 196 HB3 -0.76 -0.02 0.07 -0.04 1.41 0.66 2dzdA1 PHE 197 H -0.17 0.21 -0.10 -0.55 8.34 7.73 2dzdA1 PHE 197 HA -0.01 0.22 0.93 -0.75 4.62 5.01 2dzdA1 PHE 197 HB2 -0.00 0.00 0.07 -0.04 3.15 3.18 2dzdA1 PHE 197 HB3 -0.00 -0.00 -0.00 -0.04 3.06 3.01 2dzdA1 PHE 197 HD2 -0.01 0.05 -0.01 -0.04 7.28 7.26 2dzdA1 PHE 197 HE2 -0.01 -0.02 -0.05 -0.04 7.38 7.26 2dzdA1 PHE 197 HZ -0.01 -0.08 -0.21 -0.04 7.32 6.97 2dzdA1 GLY 198 H 0.05 0.17 0.09 -0.55 8.43 8.19 2dzdA1 GLY 198 HA2 0.02 0.19 0.37 -0.51 4.01 4.08 2dzdA1 GLY 198 HA3 0.05 0.16 0.80 -0.51 4.01 4.50 2dzdA1 SER 199 H 0.12 0.22 -0.03 -0.55 8.46 8.22 2dzdA1 SER 199 HA 0.03 0.18 0.83 -0.75 4.49 4.78 2dzdA1 SER 199 HB2 0.05 0.13 -0.06 -0.04 3.95 4.02 2dzdA1 SER 199 HB3 0.07 -0.03 0.04 -0.04 3.93 3.97 2dzdA1 ASP 200 H 0.01 0.18 0.09 -0.55 8.40 8.15 2dzdA1 ASP 200 HA 0.00 0.24 0.61 -0.75 4.63 4.74 2dzdA1 ASP 200 HB2 -0.05 -0.04 0.11 -0.04 2.71 2.69 2dzdA1 ASP 200 HB3 -0.02 0.01 0.01 -0.04 2.70 2.66 2dzdA1 GLU 201 H 0.03 -0.01 -0.33 -0.55 8.60 7.74 2dzdA1 GLU 201 HA -0.01 0.12 0.50 -0.75 4.29 4.14 2dzdA1 GLU 201 HB2 0.05 -0.06 0.07 -0.04 2.09 2.10 2dzdA1 GLU 201 HB3 -0.01 0.07 0.02 -0.04 1.99 2.03 2dzdA1 GLU 201 HG2 -0.01 0.09 0.01 -0.04 2.34 2.38 2dzdA1 GLU 201 HG3 0.01 -0.14 0.03 -0.04 2.34 2.20 2dzdA1 VAL 202 H -0.01 0.25 0.27 -0.55 8.24 8.20 2dzdA1 VAL 202 HA 0.12 0.19 1.01 -0.75 4.13 4.71 2dzdA1 VAL 202 HB 0.06 0.07 -0.09 -0.04 2.12 2.12 2dzdA1 VAL 202 HG13 -0.01 0.01 -0.37 -0.04 0.97 0.56 2dzdA1 VAL 202 HG23 0.05 -0.04 -0.07 -0.04 0.95 0.85 2dzdA1 TYR 203 H 0.27 0.84 0.33 -0.55 8.29 9.18 2dzdA1 TYR 203 HA -0.04 0.05 1.01 -0.75 4.56 4.82 2dzdA1 TYR 203 HB2 -0.05 0.02 0.01 -0.04 3.06 3.00 2dzdA1 TYR 203 HB3 -0.07 0.09 0.06 -0.04 2.98 3.02 2dzdA1 TYR 203 HD2 -0.03 0.06 -0.29 -0.04 7.15 6.85 2dzdA1 TYR 203 HE2 -0.02 0.08 -0.19 -0.04 6.85 6.68 2dzdA1 VAL 204 H -0.08 0.16 0.26 -0.55 8.24 8.04 2dzdA1 VAL 204 HA -0.11 0.32 1.10 -0.75 4.13 4.69 2dzdA1 VAL 204 HB -0.63 0.08 0.01 -0.04 2.12 1.54 2dzdA1 VAL 204 HG13 -0.10 -0.03 -0.15 -0.04 0.97 0.65 2dzdA1 VAL 204 HG23 -0.63 -0.04 0.02 -0.04 0.95 0.26 2dzdA1 GLU 205 H -0.12 0.69 0.37 -0.55 8.60 8.99 2dzdA1 GLU 205 HA -0.03 0.19 0.87 -0.75 4.29 4.56 2dzdA1 GLU 205 HB2 -0.03 -0.07 -0.04 -0.04 2.09 1.91 2dzdA1 GLU 205 HB3 -0.01 0.15 -0.03 -0.04 1.99 2.05 2dzdA1 GLU 205 HG2 -0.00 0.08 0.05 -0.04 2.34 2.42 2dzdA1 GLU 205 HG3 -0.03 -0.06 -0.39 -0.04 2.34 1.82 2dzdA1 LYS 206 H 0.16 0.84 0.26 -0.55 8.42 9.12 2dzdA1 LYS 206 HA 0.16 0.06 0.72 -0.75 4.32 4.50 2dzdA1 LYS 206 HB2 -0.07 -0.03 0.11 -0.04 1.87 1.83 2dzdA1 LYS 206 HB3 -0.09 -0.00 0.20 -0.04 1.79 1.86 2dzdA1 LYS 206 HG2 -0.16 -0.03 -0.02 -0.04 1.46 1.21 2dzdA1 LYS 206 HG3 -0.15 -0.12 -0.45 -0.04 1.46 0.71 2dzdA1 LYS 206 HD2 0.02 0.05 0.09 -0.04 1.69 1.81 2dzdA1 LYS 206 HD3 0.00 0.02 -0.03 -0.04 1.68 1.63 2dzdA1 LYS 206 HE2 0.00 0.02 0.01 -0.04 2.99 2.98 2dzdA1 LYS 206 HE3 -0.05 -0.16 -0.15 -0.04 2.99 2.59 2dzdA1 LEU 207 H 0.05 0.41 0.24 -0.55 8.37 8.52 2dzdA1 LEU 207 HA -0.01 0.05 0.54 -0.75 4.35 4.17 2dzdA1 LEU 207 HB2 0.04 -0.06 -0.31 -0.04 1.64 1.26 2dzdA1 LEU 207 HB3 0.05 0.07 -0.22 -0.04 1.64 1.51 2dzdA1 LEU 207 HG 0.03 -0.04 -0.55 -0.04 1.64 1.03 2dzdA1 LEU 207 HD13 0.01 -0.02 -0.17 -0.04 0.93 0.71 2dzdA1 LEU 207 HD23 0.05 -0.02 -0.14 -0.04 0.89 0.72 2dzdA1 ILE 208 H -0.06 0.20 0.04 -0.55 8.25 7.88 2dzdA1 ILE 208 HA -0.05 0.19 0.81 -0.75 4.18 4.38 2dzdA1 ILE 208 HB -0.12 -0.04 0.10 -0.04 1.89 1.79 2dzdA1 ILE 208 HG12 -0.39 0.05 -0.16 -0.04 1.49 0.96 2dzdA1 ILE 208 HG13 -0.29 0.07 -0.33 -0.04 1.21 0.62 2dzdA1 ILE 208 HG23 0.01 -0.01 -0.27 -0.04 0.93 0.62 2dzdA1 ILE 208 HD13 -1.02 -0.01 -0.10 -0.04 0.88 -0.29 2dzdA1 GLU 209 H 0.03 0.26 0.01 -0.55 8.60 8.35 2dzdA1 GLU 209 HA 0.04 0.04 0.22 -0.75 4.29 3.84 2dzdA1 GLU 209 HB2 0.04 0.05 -0.09 -0.04 2.09 2.05 2dzdA1 GLU 209 HB3 0.04 0.03 0.05 -0.04 1.99 2.07 2dzdA1 GLU 209 HG2 0.05 -0.00 -0.18 -0.04 2.34 2.16 2dzdA1 GLU 209 HG3 0.05 -0.05 -0.04 -0.04 2.34 2.27 2dzdA1 ASN 210 H 0.06 0.12 0.15 -0.55 8.53 8.31 2dzdA1 ASN 210 HA 0.08 -0.07 0.31 -0.75 4.76 4.33 2dzdA1 ASN 210 HB2 0.06 0.24 -0.11 -0.04 2.88 3.02 2dzdA1 ASN 210 HB3 0.07 -0.11 0.15 -0.04 2.79 2.87 2dzdA1 ASN 210 HD21 0.05 0.01 -0.08 -0.04 7.03 6.97 2dzdA1 ASN 210 HD22 0.05 0.06 -0.13 -0.04 7.74 7.68 2dzdA1 PRO 211 HA 0.08 0.32 0.46 -0.51 4.44 4.78 2dzdA1 PRO 211 HB2 0.09 0.04 0.06 -0.04 2.28 2.42 2dzdA1 PRO 211 HB3 0.08 0.05 -0.11 -0.04 2.02 2.00 2dzdA1 PRO 211 HG2 0.10 -0.07 -0.10 -0.04 2.03 1.93 2dzdA1 PRO 211 HG3 0.06 0.12 -0.02 -0.04 2.03 2.15 2dzdA1 PRO 211 HD2 0.09 -0.08 0.13 -0.04 3.68 3.78 2dzdA1 PRO 211 HD3 0.06 0.37 -0.09 -0.04 3.65 3.95 2dzdA1 LYS 212 H 0.08 0.46 0.35 -0.55 8.42 8.76 2dzdA1 LYS 212 HA 0.11 0.01 0.79 -0.75 4.32 4.48 2dzdA1 LYS 212 HB2 0.04 -0.02 0.05 -0.04 1.87 1.90 2dzdA1 LYS 212 HB3 0.03 -0.03 0.07 -0.04 1.79 1.82 2dzdA1 LYS 212 HG2 0.02 0.02 0.07 -0.04 1.46 1.54 2dzdA1 LYS 212 HG3 0.02 0.05 0.05 -0.04 1.46 1.54 2dzdA1 LYS 212 HD2 -0.06 -0.05 -0.03 -0.04 1.69 1.50 2dzdA1 LYS 212 HD3 -0.11 0.08 0.07 -0.04 1.68 1.67 2dzdA1 LYS 212 HE2 -0.06 0.00 -0.04 -0.04 2.99 2.86 2dzdA1 LYS 212 HE3 -0.03 -0.02 -0.01 -0.04 2.99 2.88 2dzdA1 HIS 213 H 0.21 0.07 -0.02 -0.55 8.41 8.13 2dzdA1 HIS 213 HA 0.08 0.34 0.93 -0.75 4.63 5.22 2dzdA1 HIS 213 HB2 0.08 0.03 -0.10 -0.04 3.26 3.23 2dzdA1 HIS 213 HB3 0.08 -0.11 -0.20 -0.04 3.20 2.92 2dzdA1 HIS 213 HD2 0.04 -0.09 -0.47 -0.04 6.97 6.40 2dzdA1 HIS 213 HE1 -0.02 0.02 -0.12 -0.04 7.75 7.59 2dzdA1 ILE 214 H 0.04 0.63 0.18 -0.55 8.25 8.55 2dzdA1 ILE 214 HA 0.12 0.13 0.85 -0.75 4.18 4.53 2dzdA1 ILE 214 HB 0.06 0.03 -0.02 -0.04 1.89 1.93 2dzdA1 ILE 214 HG12 0.05 0.01 -0.34 -0.04 1.49 1.17 2dzdA1 ILE 214 HG13 -0.01 0.03 -0.16 -0.04 1.21 1.03 2dzdA1 ILE 214 HG23 -0.01 0.00 -0.19 -0.04 0.93 0.69 2dzdA1 ILE 214 HD13 0.03 0.00 -0.23 -0.04 0.88 0.64 2dzdA1 GLU 215 H 0.12 0.54 0.37 -0.55 8.60 9.08 2dzdA1 GLU 215 HA 0.12 0.35 1.15 -0.75 4.29 5.16 2dzdA1 GLU 215 HB2 0.10 -0.04 0.04 -0.04 2.09 2.15 2dzdA1 GLU 215 HB3 0.06 0.01 -0.11 -0.04 1.99 1.91 2dzdA1 GLU 215 HG2 0.14 0.02 -0.21 -0.04 2.34 2.25 2dzdA1 GLU 215 HG3 0.29 -0.00 -0.28 -0.04 2.34 2.31 2dzdA1 VAL 216 H 0.09 0.70 0.33 -0.55 8.24 8.80 2dzdA1 VAL 216 HA 0.04 0.21 1.00 -0.75 4.13 4.62 2dzdA1 VAL 216 HB 0.12 -0.01 0.09 -0.04 2.12 2.28 2dzdA1 VAL 216 HG13 -0.03 0.05 -0.17 -0.04 0.97 0.78 2dzdA1 VAL 216 HG23 0.02 -0.00 -0.30 -0.04 0.95 0.62 2dzdA1 GLN 217 H 0.06 0.49 0.16 -0.55 8.47 8.63 2dzdA1 GLN 217 HA 0.03 0.10 0.70 -0.75 4.36 4.43 2dzdA1 GLN 217 HB2 0.08 -0.04 0.02 -0.04 2.15 2.17 2dzdA1 GLN 217 HB3 0.09 -0.02 0.05 -0.04 2.02 2.10 2dzdA1 GLN 217 HG2 0.09 -0.03 -0.10 -0.04 2.40 2.31 2dzdA1 GLN 217 HG3 0.07 0.11 -0.25 -0.04 2.39 2.27 2dzdA1 GLN 217 HE21 0.05 -0.06 -0.11 -0.04 6.97 6.81 2dzdA1 GLN 217 HE22 0.05 0.23 0.06 -0.04 7.69 8.00 2dzdA1 ILE 218 H 0.02 0.55 0.40 -0.55 8.25 8.66 2dzdA1 ILE 218 HA 0.05 0.28 1.09 -0.75 4.18 4.84 2dzdA1 ILE 218 HB -0.09 0.09 -0.01 -0.04 1.89 1.84 2dzdA1 ILE 218 HG12 -0.01 -0.07 -0.58 -0.04 1.49 0.79 2dzdA1 ILE 218 HG13 -0.06 0.02 -0.24 -0.04 1.21 0.90 2dzdA1 ILE 218 HG23 0.04 -0.00 -0.21 -0.04 0.93 0.71 2dzdA1 ILE 218 HD13 0.06 0.00 -0.19 -0.04 0.88 0.71 2dzdA1 LEU 219 H 0.04 0.46 0.24 -0.55 8.37 8.57 2dzdA1 LEU 219 HA 0.07 0.35 0.67 -0.75 4.35 4.68 2dzdA1 LEU 219 HB2 0.01 -0.03 -0.01 -0.04 1.64 1.56 2dzdA1 LEU 219 HB3 -0.00 -0.01 -0.17 -0.04 1.64 1.42 2dzdA1 LEU 219 HG 0.04 -0.04 -0.46 -0.04 1.64 1.14 2dzdA1 LEU 219 HD13 0.02 -0.01 -0.20 -0.04 0.93 0.70 2dzdA1 LEU 219 HD23 0.03 0.02 -0.14 -0.04 0.89 0.75 2dzdA1 GLY 220 H 0.03 0.51 0.12 -0.55 8.43 8.54 2dzdA1 GLY 220 HA2 -0.00 0.41 1.06 -0.51 4.01 4.97 2dzdA1 GLY 220 HA3 0.00 0.43 0.40 -0.51 4.01 4.32 2dzdA1 ASP 221 H -0.04 0.29 0.21 -0.55 8.40 8.31 2dzdA1 ASP 221 HA -0.11 0.28 0.96 -0.75 4.63 5.00 2dzdA1 ASP 221 HB2 0.04 0.05 0.23 -0.04 2.71 2.98 2dzdA1 ASP 221 HB3 -0.03 0.04 0.12 -0.04 2.70 2.79 2dzdA1 TYR 222 H 0.17 0.26 0.13 -0.55 8.29 8.31 2dzdA1 TYR 222 HA 0.02 0.19 0.45 -0.75 4.56 4.46 2dzdA1 TYR 222 HB2 0.01 0.02 0.08 -0.04 3.06 3.12 2dzdA1 TYR 222 HB3 0.01 0.03 0.09 -0.04 2.98 3.07 2dzdA1 TYR 222 HD2 0.01 -0.00 0.06 -0.04 7.15 7.17 2dzdA1 TYR 222 HE2 0.01 0.09 0.05 -0.04 6.85 6.95 2dzdA1 GLU 223 H 0.09 -0.07 -0.25 -0.55 8.60 7.83 2dzdA1 GLU 223 HA 0.07 0.25 0.72 -0.75 4.29 4.58 2dzdA1 GLU 223 HB2 0.05 -0.15 0.05 -0.04 2.09 2.00 2dzdA1 GLU 223 HB3 0.05 0.04 0.14 -0.04 1.99 2.17 2dzdA1 GLU 223 HG2 0.05 0.07 0.02 -0.04 2.34 2.44 2dzdA1 GLU 223 HG3 0.07 0.02 -0.08 -0.04 2.34 2.31 2dzdA1 GLY 224 H 0.03 0.37 -0.50 -0.55 8.43 7.79 2dzdA1 GLY 224 HA2 0.03 0.13 0.21 -0.51 4.01 3.88 2dzdA1 GLY 224 HA3 0.04 0.11 0.35 -0.51 4.01 4.00 2dzdA1 ASN 225 H 0.03 -0.13 -0.29 -0.55 8.53 7.60 2dzdA1 ASN 225 HA 0.06 0.14 0.60 -0.75 4.76 4.81 2dzdA1 ASN 225 HB2 -0.01 -0.21 0.06 -0.04 2.88 2.68 2dzdA1 ASN 225 HB3 0.08 0.09 0.00 -0.04 2.79 2.92 2dzdA1 ASN 225 HD21 0.08 0.09 -0.04 -0.04 7.03 7.11 2dzdA1 ASN 225 HD22 0.03 -0.23 0.01 -0.04 7.74 7.50 2dzdA1 ILE 226 H 0.05 0.20 0.24 -0.55 8.25 8.19 2dzdA1 ILE 226 HA 0.02 0.40 0.97 -0.75 4.18 4.82 2dzdA1 ILE 226 HB 0.03 -0.06 0.06 -0.04 1.89 1.88 2dzdA1 ILE 226 HG12 0.04 0.04 -0.62 -0.04 1.49 0.91 2dzdA1 ILE 226 HG13 0.05 -0.05 -0.11 -0.04 1.21 1.06 2dzdA1 ILE 226 HG23 0.04 -0.01 -0.13 -0.04 0.93 0.78 2dzdA1 ILE 226 HD13 0.06 0.02 -0.14 -0.04 0.88 0.78 2dzdA1 VAL 227 H 0.01 0.49 0.28 -0.55 8.24 8.48 2dzdA1 VAL 227 HA -0.06 0.09 0.56 -0.75 4.13 3.97 2dzdA1 VAL 227 HB -0.05 0.12 -0.03 -0.04 2.12 2.12 2dzdA1 VAL 227 HG13 0.07 0.01 -0.14 -0.04 0.97 0.87 2dzdA1 VAL 227 HG23 -0.02 -0.01 -0.15 -0.04 0.95 0.74 2dzdA1 HIS 228 H -0.32 0.13 0.14 -0.55 8.41 7.82 2dzdA1 HIS 228 HA -0.01 0.42 1.07 -0.75 4.63 5.36 2dzdA1 HIS 228 HB2 -0.07 0.06 0.11 -0.04 3.26 3.32 2dzdA1 HIS 228 HB3 -0.06 0.02 0.02 -0.04 3.20 3.14 2dzdA1 HIS 228 HD2 -0.12 0.05 -0.15 -0.04 6.97 6.71 2dzdA1 HIS 228 HE1 -1.14 0.07 -0.04 -0.04 7.75 6.60 2dzdA1 LEU 229 H 0.14 0.53 0.07 -0.55 8.37 8.56 2dzdA1 LEU 229 HA 0.21 0.21 0.73 -0.75 4.35 4.75 2dzdA1 LEU 229 HB2 0.11 -0.05 -0.02 -0.04 1.64 1.64 2dzdA1 LEU 229 HB3 0.14 -0.03 0.10 -0.04 1.64 1.81 2dzdA1 LEU 229 HG 0.10 0.04 -0.10 -0.04 1.64 1.64 2dzdA1 LEU 229 HD13 0.06 0.07 -0.42 -0.04 0.93 0.60 2dzdA1 LEU 229 HD23 0.07 -0.02 -0.21 -0.04 0.89 0.69 2dzdA1 TYR 230 H 0.39 0.06 -0.47 -0.55 8.29 7.72 2dzdA1 TYR 230 HA -0.17 0.01 0.26 -0.75 4.56 3.91 2dzdA1 TYR 230 HB2 0.04 0.23 -0.24 -0.04 3.06 3.06 2dzdA1 TYR 230 HB3 -0.02 -0.21 0.21 -0.04 2.98 2.92 2dzdA1 TYR 230 HD2 0.04 -0.04 -0.20 -0.04 7.15 6.90 2dzdA1 TYR 230 HE2 0.05 0.09 -0.14 -0.04 6.85 6.80 2dzdA1 GLU 231 H 0.15 0.09 0.21 -0.55 8.60 8.49 2dzdA1 GLU 231 HA 0.04 0.25 0.87 -0.75 4.29 4.70 2dzdA1 GLU 231 HB2 0.02 0.08 0.00 -0.04 2.09 2.15 2dzdA1 GLU 231 HB3 -0.04 -0.04 -0.03 -0.04 1.99 1.84 2dzdA1 GLU 231 HG2 0.02 -0.04 -0.33 -0.04 2.34 1.95 2dzdA1 GLU 231 HG3 -0.02 -0.00 -0.07 -0.04 2.34 2.21 2dzdA1 ARG 232 H 0.07 0.68 0.39 -0.55 8.46 9.05 2dzdA1 ARG 232 HA 0.07 0.22 0.80 -0.75 4.34 4.67 2dzdA1 ARG 232 HB2 0.07 -0.06 0.01 -0.04 1.90 1.88 2dzdA1 ARG 232 HB3 0.08 -0.01 -0.12 -0.04 1.80 1.70 2dzdA1 ARG 232 HG2 0.08 0.05 -0.14 -0.04 1.67 1.62 2dzdA1 ARG 232 HG3 0.08 0.02 -0.27 -0.04 1.67 1.46 2dzdA1 ARG 232 HD2 0.06 -0.01 -0.15 -0.04 3.22 3.08 2dzdA1 ARG 232 HD3 0.07 -0.05 -0.10 -0.04 3.22 3.10 2dzdA1 ASP 233 H 0.09 1.13 0.34 -0.55 8.40 9.41 2dzdA1 ASP 233 HA 0.10 0.17 0.87 -0.75 4.63 5.02 2dzdA1 ASP 233 HB2 0.03 -0.05 0.10 -0.04 2.71 2.75 2dzdA1 ASP 233 HB3 0.11 0.02 0.29 -0.04 2.70 3.08 2dzdA1 CYS 234 H 0.16 0.77 0.31 -0.55 8.50 9.19 2dzdA1 CYS 234 HA 0.07 0.20 0.90 -0.75 4.58 4.99 2dzdA1 CYS 234 HB2 -0.18 0.07 0.05 -0.04 2.97 2.86 2dzdA1 CYS 234 HB3 -0.13 -0.04 0.07 -0.04 2.97 2.82 2dzdA1 SER 235 H 0.23 0.12 -0.16 -0.55 8.46 8.10 2dzdA1 SER 235 HA 0.18 0.09 0.36 -0.75 4.49 4.36 2dzdA1 SER 235 HB2 0.50 0.07 -0.05 -0.04 3.95 4.43 2dzdA1 SER 235 HB3 0.29 -0.03 -0.34 -0.04 3.93 3.81 2dzdA1 VAL 236 H 0.17 0.16 -0.10 -0.55 8.24 7.92 2dzdA1 VAL 236 HA 0.12 0.01 0.50 -0.75 4.13 4.01 2dzdA1 VAL 236 HB -0.01 -0.03 0.30 -0.04 2.12 2.34 2dzdA1 VAL 236 HG13 -0.12 0.00 -0.08 -0.04 0.97 0.73 2dzdA1 VAL 236 HG23 -0.05 0.00 0.03 -0.04 0.95 0.89 2dzdA1 GLN 237 H -0.00 0.21 0.32 -0.55 8.47 8.45 2dzdA1 GLN 237 HA -0.04 0.19 0.82 -0.75 4.36 4.57 2dzdA1 GLN 237 HB2 -0.01 0.01 -0.02 -0.04 2.15 2.10 2dzdA1 GLN 237 HB3 -0.03 -0.07 -0.33 -0.04 2.02 1.55 2dzdA1 GLN 237 HG2 -0.05 -0.04 -0.45 -0.04 2.40 1.82 2dzdA1 GLN 237 HG3 0.02 0.07 -0.65 -0.04 2.39 1.79 2dzdA1 GLN 237 HE21 -0.11 -0.07 -0.09 -0.04 6.97 6.65 2dzdA1 GLN 237 HE22 -0.24 0.45 -0.01 -0.04 7.69 7.85 2dzdA1 ARG 238 H -0.04 0.69 0.13 -0.55 8.46 8.69 2dzdA1 ARG 238 HA -0.02 0.10 0.89 -0.75 4.34 4.55 2dzdA1 ARG 238 HB2 0.11 -0.01 -0.05 -0.04 1.90 1.91 2dzdA1 ARG 238 HB3 -0.08 0.06 0.10 -0.04 1.80 1.84 2dzdA1 ARG 238 HG2 -0.13 0.03 -0.30 -0.04 1.67 1.23 2dzdA1 ARG 238 HG3 0.12 0.01 -0.05 -0.04 1.67 1.71 2dzdA1 ARG 238 HD2 -0.54 0.01 -0.07 -0.04 3.22 2.57 2dzdA1 ARG 238 HD3 -0.56 -0.00 -0.06 -0.04 3.22 2.56 2dzdA1 ARG 239 H -0.13 0.18 0.07 -0.55 8.46 8.03 2dzdA1 ARG 239 HA -0.25 0.05 0.30 -0.75 4.34 3.69 2dzdA1 ARG 239 HB2 -0.09 0.15 -0.09 -0.04 1.90 1.83 2dzdA1 ARG 239 HB3 -0.03 0.04 0.21 -0.04 1.80 1.98 2dzdA1 ARG 239 HG2 -0.09 0.01 0.05 -0.04 1.67 1.60 2dzdA1 ARG 239 HG3 -0.10 -0.04 -0.11 -0.04 1.67 1.37 2dzdA1 ARG 239 HD2 -0.08 0.02 -0.04 -0.04 3.22 3.08 2dzdA1 ARG 239 HD3 -0.04 0.02 0.01 -0.04 3.22 3.17 2dzdA1 HIS 240 H -0.24 0.04 -0.46 -0.55 8.41 7.20 2dzdA1 HIS 240 HA -0.01 0.00 0.14 -0.75 4.63 4.02 2dzdA1 HIS 240 HB2 -0.02 0.31 0.05 -0.04 3.26 3.56 2dzdA1 HIS 240 HB3 -0.01 -0.03 0.07 -0.04 3.20 3.19 2dzdA1 HIS 240 HD2 -0.01 0.10 -0.22 -0.04 6.97 6.79 2dzdA1 HIS 240 HE1 0.02 -0.01 -0.06 -0.04 7.75 7.65 2dzdA1 GLN 241 H -0.03 0.52 -0.62 -0.55 8.47 7.80 2dzdA1 GLN 241 HA -0.02 0.13 0.90 -0.75 4.36 4.61 2dzdA1 GLN 241 HB2 -0.06 0.02 0.07 -0.04 2.15 2.13 2dzdA1 GLN 241 HB3 -0.05 -0.03 0.04 -0.04 2.02 1.94 2dzdA1 GLN 241 HG2 -0.04 0.17 -0.03 -0.04 2.40 2.46 2dzdA1 GLN 241 HG3 -0.05 -0.04 -0.00 -0.04 2.39 2.26 2dzdA1 GLN 241 HE21 -0.01 -0.02 -0.03 -0.04 6.97 6.87 2dzdA1 GLN 241 HE22 -0.03 -0.03 -0.01 -0.04 7.69 7.58 2dzdA1 LYS 242 H -0.06 0.11 0.08 -0.55 8.42 7.99 2dzdA1 LYS 242 HA -0.06 0.10 0.29 -0.75 4.32 3.90 2dzdA1 LYS 242 HB2 -0.07 -0.05 0.05 -0.04 1.87 1.76 2dzdA1 LYS 242 HB3 -0.06 -0.02 -0.11 -0.04 1.79 1.56 2dzdA1 LYS 242 HG2 -0.15 0.12 -0.05 -0.04 1.46 1.34 2dzdA1 LYS 242 HG3 -0.11 0.03 0.01 -0.04 1.46 1.35 2dzdA1 LYS 242 HD2 -0.08 -0.07 -0.06 -0.04 1.69 1.44 2dzdA1 LYS 242 HD3 -0.08 -0.03 -0.09 -0.04 1.68 1.43 2dzdA1 LYS 242 HE2 -0.26 0.04 -0.09 -0.04 2.99 2.65 2dzdA1 LYS 242 HE3 -0.14 0.05 -0.06 -0.04 2.99 2.81 2dzdA1 VAL 243 H -0.04 0.47 0.30 -0.55 8.24 8.42 2dzdA1 VAL 243 HA -0.03 0.18 1.00 -0.75 4.13 4.53 2dzdA1 VAL 243 HB -0.08 0.01 -0.07 -0.04 2.12 1.94 2dzdA1 VAL 243 HG13 -0.13 -0.01 -0.14 -0.04 0.97 0.65 2dzdA1 VAL 243 HG23 0.03 0.02 -0.15 -0.04 0.95 0.81 2dzdA1 VAL 244 H -0.05 0.35 0.22 -0.55 8.24 8.21 2dzdA1 VAL 244 HA -0.02 0.35 1.09 -0.75 4.13 4.80 2dzdA1 VAL 244 HB -0.16 -0.10 0.12 -0.04 2.12 1.94 2dzdA1 VAL 244 HG13 -0.05 0.05 -0.10 -0.04 0.97 0.83 2dzdA1 VAL 244 HG23 -0.23 -0.01 -0.17 -0.04 0.95 0.51 2dzdA1 GLU 245 H 0.05 0.27 0.23 -0.55 8.60 8.59 2dzdA1 GLU 245 HA 0.11 0.38 1.12 -0.75 4.29 5.14 2dzdA1 GLU 245 HB2 0.06 -0.08 0.06 -0.04 2.09 2.09 2dzdA1 GLU 245 HB3 0.07 0.03 -0.08 -0.04 1.99 1.97 2dzdA1 GLU 245 HG2 0.01 -0.05 -0.14 -0.04 2.34 2.13 2dzdA1 GLU 245 HG3 0.02 0.05 -0.18 -0.04 2.34 2.19 2dzdA1 VAL 246 H 0.16 0.58 0.43 -0.55 8.24 8.87 2dzdA1 VAL 246 HA 0.22 0.34 1.19 -0.75 4.13 5.13 2dzdA1 VAL 246 HB 0.18 -0.13 0.16 -0.04 2.12 2.29 2dzdA1 VAL 246 HG13 0.18 0.08 0.01 -0.04 0.97 1.20 2dzdA1 VAL 246 HG23 0.48 0.01 -0.15 -0.04 0.95 1.25 2dzdA1 ALA 247 H 0.17 0.56 0.37 -0.55 8.40 8.95 2dzdA1 ALA 247 HA 0.05 -0.10 0.72 -0.75 4.34 4.26 2dzdA1 ALA 247 HB3 0.07 0.01 -0.03 -0.04 1.41 1.42 2dzdA1 PRO 248 HA -0.01 0.22 0.41 -0.51 4.44 4.56 2dzdA1 PRO 248 HB2 -0.08 0.01 0.10 -0.04 2.28 2.28 2dzdA1 PRO 248 HB3 -0.11 0.03 0.14 -0.04 2.02 2.04 2dzdA1 PRO 248 HG2 -0.30 0.03 -0.07 -0.04 2.03 1.65 2dzdA1 PRO 248 HG3 -0.32 0.04 0.07 -0.04 2.03 1.78 2dzdA1 PRO 248 HD2 -0.99 0.08 0.37 -0.04 3.68 3.09 2dzdA1 PRO 248 HD3 -0.35 0.20 0.23 -0.04 3.65 3.69 2dzdA1 SER 249 H -0.02 0.11 0.05 -0.55 8.46 8.06 2dzdA1 SER 249 HA -0.04 0.06 0.61 -0.75 4.49 4.37 2dzdA1 SER 249 HB2 -0.02 -0.01 0.03 -0.04 3.95 3.91 2dzdA1 SER 249 HB3 -0.05 0.01 0.08 -0.04 3.93 3.93 2dzdA1 VAL 250 H -0.24 0.12 0.18 -0.55 8.24 7.74 2dzdA1 VAL 250 HA 0.01 0.08 0.13 -0.75 4.13 3.59 2dzdA1 VAL 250 HB -0.51 0.17 0.32 -0.04 2.12 2.06 2dzdA1 VAL 250 HG13 -0.38 -0.00 -0.06 -0.04 0.97 0.49 2dzdA1 VAL 250 HG23 -1.22 -0.01 0.09 -0.04 0.95 -0.23 2dzdA1 SER 251 H -0.28 0.20 0.04 -0.55 8.46 7.88 2dzdA1 SER 251 HA -0.11 0.20 0.65 -0.75 4.49 4.48 2dzdA1 SER 251 HB2 -0.21 -0.02 0.13 -0.04 3.95 3.81 2dzdA1 SER 251 HB3 -0.12 -0.04 0.14 -0.04 3.93 3.87 2dzdA1 LEU 252 H -0.10 0.37 -0.61 -0.55 8.37 7.49 2dzdA1 LEU 252 HA -0.08 0.08 0.74 -0.75 4.35 4.34 2dzdA1 LEU 252 HB2 -0.08 -0.11 -0.05 -0.04 1.64 1.36 2dzdA1 LEU 252 HB3 -0.06 0.08 -0.01 -0.04 1.64 1.61 2dzdA1 LEU 252 HG -0.08 0.07 -0.16 -0.04 1.64 1.44 2dzdA1 LEU 252 HD13 -0.06 -0.00 -0.05 -0.04 0.93 0.77 2dzdA1 LEU 252 HD23 -0.08 -0.01 -0.10 -0.04 0.89 0.66 2dzdA1 SER 253 H -0.05 0.16 0.13 -0.55 8.46 8.15 2dzdA1 SER 253 HA -0.04 0.12 0.43 -0.75 4.49 4.25 2dzdA1 SER 253 HB2 -0.03 0.16 0.16 -0.04 3.95 4.20 2dzdA1 SER 253 HB3 -0.04 -0.05 0.16 -0.04 3.93 3.96 2dzdA1 ASP 254 H -0.02 0.19 0.24 -0.55 8.40 8.27 2dzdA1 ASP 254 HA -0.02 0.17 0.48 -0.75 4.63 4.51 2dzdA1 ASP 254 HB2 -0.01 0.11 0.17 -0.04 2.71 2.93 2dzdA1 ASP 254 HB3 -0.01 -0.03 0.12 -0.04 2.70 2.74 2dzdA1 GLU 255 H -0.02 0.08 -0.01 -0.55 8.60 8.10 2dzdA1 GLU 255 HA -0.03 0.16 0.63 -0.75 4.29 4.30 2dzdA1 GLU 255 HB2 -0.02 0.03 0.11 -0.04 2.09 2.17 2dzdA1 GLU 255 HB3 -0.02 -0.02 0.04 -0.04 1.99 1.95 2dzdA1 GLU 255 HG2 -0.02 0.02 0.08 -0.04 2.34 2.39 2dzdA1 GLU 255 HG3 -0.01 0.04 0.02 -0.04 2.34 2.34 2dzdA1 LEU 256 H -0.05 -0.04 -0.38 -0.55 8.37 7.36 2dzdA1 LEU 256 HA -0.09 0.14 0.52 -0.75 4.35 4.16 2dzdA1 LEU 256 HB2 -0.05 -0.11 0.11 -0.04 1.64 1.55 2dzdA1 LEU 256 HB3 -0.08 0.10 -0.00 -0.04 1.64 1.61 2dzdA1 LEU 256 HG -0.02 0.07 0.04 -0.04 1.64 1.69 2dzdA1 LEU 256 HD13 -0.03 0.00 -0.02 -0.04 0.93 0.84 2dzdA1 LEU 256 HD23 -0.14 -0.01 -0.14 -0.04 0.89 0.56 2dzdA1 ARG 257 H -0.08 0.75 -0.10 -0.55 8.46 8.49 2dzdA1 ARG 257 HA -0.14 -0.03 0.34 -0.75 4.34 3.76 2dzdA1 ARG 257 HB2 -0.04 0.04 0.04 -0.04 1.90 1.90 2dzdA1 ARG 257 HB3 -0.03 0.09 0.22 -0.04 1.80 2.04 2dzdA1 ARG 257 HG2 0.03 0.04 -0.28 -0.04 1.67 1.42 2dzdA1 ARG 257 HG3 -0.00 -0.12 -0.01 -0.04 1.67 1.50 2dzdA1 ARG 257 HD2 0.07 0.03 0.03 -0.04 3.22 3.32 2dzdA1 ARG 257 HD3 0.31 -0.01 0.01 -0.04 3.22 3.49 2dzdA1 GLN 258 H -0.08 0.36 -0.42 -0.55 8.47 7.79 2dzdA1 GLN 258 HA -0.12 0.01 0.37 -0.75 4.36 3.86 2dzdA1 GLN 258 HB2 -0.05 0.07 0.20 -0.04 2.15 2.33 2dzdA1 GLN 258 HB3 -0.05 -0.00 -0.03 -0.04 2.02 1.90 2dzdA1 GLN 258 HG2 0.01 0.04 0.06 -0.04 2.40 2.47 2dzdA1 GLN 258 HG3 -0.00 -0.02 0.04 -0.04 2.39 2.37 2dzdA1 GLN 258 HE21 0.04 0.00 -0.01 -0.04 6.97 6.96 2dzdA1 GLN 258 HE22 0.03 0.00 -0.02 -0.04 7.69 7.66 2dzdA1 ARG 259 H -0.13 0.47 -0.08 -0.55 8.46 8.17 2dzdA1 ARG 259 HA -0.11 0.00 0.32 -0.75 4.34 3.80 2dzdA1 ARG 259 HB2 -0.23 0.06 0.11 -0.04 1.90 1.80 2dzdA1 ARG 259 HB3 -0.02 0.01 0.03 -0.04 1.80 1.78 2dzdA1 ARG 259 HG2 -0.01 -0.04 0.07 -0.04 1.67 1.65 2dzdA1 ARG 259 HG3 -0.06 0.21 0.18 -0.04 1.67 1.96 2dzdA1 ARG 259 HD2 0.00 -0.06 -0.01 -0.04 3.22 3.11 2dzdA1 ARG 259 HD3 -0.02 -0.05 0.00 -0.04 3.22 3.10 2dzdA1 ILE 260 H -0.48 0.50 -0.41 -0.55 8.25 7.31 2dzdA1 ILE 260 HA -1.46 0.04 0.26 -0.75 4.18 2.26 2dzdA1 ILE 260 HB -0.45 0.11 0.08 -0.04 1.89 1.59 2dzdA1 ILE 260 HG12 -1.07 -0.04 -0.11 -0.04 1.49 0.22 2dzdA1 ILE 260 HG13 -0.75 0.13 -0.03 -0.04 1.21 0.53 2dzdA1 ILE 260 HG23 -0.72 -0.03 -0.29 -0.04 0.93 -0.14 2dzdA1 ILE 260 HD13 -0.25 -0.04 -0.21 -0.04 0.88 0.34 2dzdA1 CYS 261 H -0.36 0.55 -0.04 -0.55 8.50 8.10 2dzdA1 CYS 261 HA -0.26 -0.03 0.27 -0.75 4.58 3.81 2dzdA1 CYS 261 HB2 -0.50 0.15 0.16 -0.04 2.97 2.73 2dzdA1 CYS 261 HB3 -1.27 -0.07 -0.02 -0.04 2.97 1.58 2dzdA1 GLU 262 H -0.17 0.62 -0.16 -0.55 8.60 8.35 2dzdA1 GLU 262 HA 0.03 -0.04 0.43 -0.75 4.29 3.96 2dzdA1 GLU 262 HB2 -0.06 0.15 0.08 -0.04 2.09 2.23 2dzdA1 GLU 262 HB3 0.00 -0.00 -0.03 -0.04 1.99 1.92 2dzdA1 GLU 262 HG2 0.01 -0.03 0.02 -0.04 2.34 2.30 2dzdA1 GLU 262 HG3 0.01 -0.04 0.01 -0.04 2.34 2.28 2dzdA1 ALA 263 H -0.13 0.54 -0.23 -0.55 8.40 8.03 2dzdA1 ALA 263 HA 0.11 0.03 0.36 -0.75 4.34 4.08 2dzdA1 ALA 263 HB3 0.07 0.07 0.12 -0.04 1.41 1.63 2dzdA1 ALA 264 H 0.04 0.38 -0.41 -0.55 8.40 7.87 2dzdA1 ALA 264 HA 0.24 0.01 0.24 -0.75 4.34 4.08 2dzdA1 ALA 264 HB3 0.17 0.02 0.01 -0.04 1.41 1.58 2dzdA1 VAL 265 H 0.06 0.43 -0.10 -0.55 8.24 8.08 2dzdA1 VAL 265 HA 0.05 0.04 0.44 -0.75 4.13 3.90 2dzdA1 VAL 265 HB 0.04 -0.03 -0.05 -0.04 2.12 2.04 2dzdA1 VAL 265 HG13 0.11 0.05 -0.10 -0.04 0.97 0.99 2dzdA1 VAL 265 HG23 0.05 0.06 0.07 -0.04 0.95 1.09 2dzdA1 GLN 266 H 0.06 0.68 -0.05 -0.55 8.47 8.60 2dzdA1 GLN 266 HA 0.04 -0.03 0.34 -0.75 4.36 3.96 2dzdA1 GLN 266 HB2 0.04 -0.08 0.08 -0.04 2.15 2.15 2dzdA1 GLN 266 HB3 0.06 0.16 0.11 -0.04 2.02 2.32 2dzdA1 GLN 266 HG2 0.04 0.09 -0.24 -0.04 2.40 2.25 2dzdA1 GLN 266 HG3 0.03 -0.09 0.04 -0.04 2.39 2.33 2dzdA1 GLN 266 HE21 0.03 -0.08 0.01 -0.04 6.97 6.89 2dzdA1 GLN 266 HE22 0.04 0.27 -0.06 -0.04 7.69 7.90 2dzdA1 LEU 267 H 0.06 0.35 -0.38 -0.55 8.37 7.86 2dzdA1 LEU 267 HA 0.03 0.13 0.51 -0.75 4.35 4.27 2dzdA1 LEU 267 HB2 -0.01 0.03 0.00 -0.04 1.64 1.62 2dzdA1 LEU 267 HB3 0.03 0.08 0.04 -0.04 1.64 1.74 2dzdA1 LEU 267 HG 0.05 -0.02 -0.58 -0.04 1.64 1.06 2dzdA1 LEU 267 HD13 -0.02 -0.01 -0.20 -0.04 0.93 0.66 2dzdA1 LEU 267 HD23 -0.17 -0.02 -0.13 -0.04 0.89 0.53 2dzdA1 MET 268 H 0.03 0.38 -0.19 -0.55 8.47 8.15 2dzdA1 MET 268 HA 0.07 0.04 0.35 -0.75 4.52 4.23 2dzdA1 MET 268 HB2 0.02 0.07 0.10 -0.04 2.15 2.30 2dzdA1 MET 268 HB3 0.04 -0.06 -0.07 -0.04 2.03 1.90 2dzdA1 MET 268 HG2 -0.09 0.24 0.02 -0.04 2.63 2.76 2dzdA1 MET 268 HG3 -0.16 -0.05 -0.13 -0.04 2.56 2.18 2dzdA1 MET 268 HE3 -1.12 -0.00 -0.29 -0.04 2.10 0.65 2dzdA1 ARG 269 H 0.05 0.82 -0.05 -0.55 8.46 8.73 2dzdA1 ARG 269 HA 0.06 0.04 0.52 -0.75 4.34 4.21 2dzdA1 ARG 269 HB2 0.04 -0.04 0.06 -0.04 1.90 1.92 2dzdA1 ARG 269 HB3 0.04 0.11 0.06 -0.04 1.80 1.97 2dzdA1 ARG 269 HG2 0.04 0.03 -0.25 -0.04 1.67 1.45 2dzdA1 ARG 269 HG3 0.04 0.01 0.05 -0.04 1.67 1.73 2dzdA1 ARG 269 HD2 0.03 0.01 -0.04 -0.04 3.22 3.18 2dzdA1 ARG 269 HD3 0.03 -0.03 -0.02 -0.04 3.22 3.16 2dzdA1 SER 270 H 0.06 0.34 -0.45 -0.55 8.46 7.86 2dzdA1 SER 270 HA 0.05 0.01 0.32 -0.75 4.49 4.11 2dzdA1 SER 270 HB2 0.03 -0.06 0.11 -0.04 3.95 3.99 2dzdA1 SER 270 HB3 0.04 0.32 0.24 -0.04 3.93 4.49 2dzdA1 VAL 271 H 0.12 0.19 -0.74 -0.55 8.24 7.25 2dzdA1 VAL 271 HA 0.11 0.17 0.85 -0.75 4.13 4.51 2dzdA1 VAL 271 HB 0.27 -0.01 -0.05 -0.04 2.12 2.28 2dzdA1 VAL 271 HG13 0.27 -0.03 0.00 -0.04 0.97 1.17 2dzdA1 VAL 271 HG23 0.11 0.04 -0.17 -0.04 0.95 0.90 2dzdA1 GLY 272 H 0.11 0.30 -0.25 -0.55 8.43 8.04 2dzdA1 GLY 272 HA2 0.09 0.02 0.32 -0.51 4.01 3.93 2dzdA1 GLY 272 HA3 0.12 -0.03 0.36 -0.51 4.01 3.95 2dzdA1 TYR 273 H 0.15 0.50 -0.08 -0.55 8.29 8.31 2dzdA1 TYR 273 HA -0.74 -0.03 0.28 -0.75 4.56 3.31 2dzdA1 TYR 273 HB2 -0.10 0.00 -0.01 -0.04 3.06 2.91 2dzdA1 TYR 273 HB3 -0.09 -0.06 -0.11 -0.04 2.98 2.68 2dzdA1 TYR 273 HD2 -0.20 -0.02 -0.30 -0.04 7.15 6.59 2dzdA1 TYR 273 HE2 -0.00 -0.07 -0.67 -0.04 6.85 6.07 2dzdA1 VAL 274 H -0.69 0.04 0.17 -0.55 8.24 7.20 2dzdA1 VAL 274 HA -0.26 0.19 0.76 -0.75 4.13 4.06 2dzdA1 VAL 274 HB -0.32 0.11 -0.12 -0.04 2.12 1.75 2dzdA1 VAL 274 HG13 -0.20 -0.02 0.04 -0.04 0.97 0.74 2dzdA1 VAL 274 HG23 -0.95 -0.03 -0.25 -0.04 0.95 -0.32 2dzdA1 ASN 275 H -0.19 1.02 0.29 -0.55 8.53 9.10 2dzdA1 ASN 275 HA -0.09 0.02 0.29 -0.75 4.76 4.23 2dzdA1 ASN 275 HB2 -0.19 0.11 -0.59 -0.04 2.88 2.17 2dzdA1 ASN 275 HB3 -0.14 0.08 0.18 -0.04 2.79 2.87 2dzdA1 ASN 275 HD21 -0.05 0.13 0.08 -0.04 7.03 7.16 2dzdA1 ASN 275 HD22 -0.05 0.12 -0.03 -0.04 7.74 7.74 2dzdA1 ALA 276 H 0.00 0.09 0.09 -0.55 8.40 8.04 2dzdA1 ALA 276 HA 0.12 0.35 0.72 -0.75 4.34 4.77 2dzdA1 ALA 276 HB3 0.04 -0.04 -0.01 -0.04 1.41 1.37 2dzdA1 GLY 277 H 0.10 0.59 0.32 -0.55 8.43 8.89 2dzdA1 GLY 277 HA2 0.03 0.26 0.60 -0.51 4.01 4.39 2dzdA1 GLY 277 HA3 -0.26 0.02 0.27 -0.51 4.01 3.54 2dzdA1 THR 278 H -0.14 0.50 0.31 -0.55 8.28 8.41 2dzdA1 THR 278 HA -0.06 0.37 1.15 -0.75 4.39 5.09 2dzdA1 THR 278 HB -0.04 -0.04 0.05 -0.04 4.32 4.25 2dzdA1 THR 278 HG23 -0.01 -0.01 -0.29 -0.04 1.22 0.87 2dzdA1 VAL 279 H -0.05 0.59 0.33 -0.55 8.24 8.57 2dzdA1 VAL 279 HA -0.20 0.21 1.14 -0.75 4.13 4.53 2dzdA1 VAL 279 HB 0.03 -0.08 0.14 -0.04 2.12 2.17 2dzdA1 VAL 279 HG13 -0.33 0.02 -0.12 -0.04 0.97 0.49 2dzdA1 VAL 279 HG23 -0.14 0.03 -0.14 -0.04 0.95 0.66 2dzdA1 GLU 280 H -0.33 0.79 0.37 -0.55 8.60 8.87 2dzdA1 GLU 280 HA -0.09 0.15 0.99 -0.75 4.29 4.58 2dzdA1 GLU 280 HB2 -0.28 -0.04 0.09 -0.04 2.09 1.82 2dzdA1 GLU 280 HB3 -0.20 0.03 -0.06 -0.04 1.99 1.72 2dzdA1 GLU 280 HG2 0.05 -0.03 -0.21 -0.04 2.34 2.11 2dzdA1 GLU 280 HG3 -0.09 -0.02 -0.25 -0.04 2.34 1.94 2dzdA1 PHE 281 H 0.05 0.81 0.40 -0.55 8.34 9.04 2dzdA1 PHE 281 HA -0.05 0.23 1.02 -0.75 4.62 5.07 2dzdA1 PHE 281 HB2 0.00 -0.06 -0.02 -0.04 3.15 3.03 2dzdA1 PHE 281 HB3 0.15 0.02 -0.10 -0.04 3.06 3.09 2dzdA1 PHE 281 HD2 0.17 0.02 -0.39 -0.04 7.28 7.04 2dzdA1 PHE 281 HE2 0.17 0.00 -0.17 -0.04 7.38 7.34 2dzdA1 PHE 281 HZ 0.11 0.00 -0.30 -0.04 7.32 7.09 2dzdA1 LEU 282 H 0.18 0.70 0.31 -0.55 8.37 9.02 2dzdA1 LEU 282 HA 0.03 0.23 1.04 -0.75 4.35 4.90 2dzdA1 LEU 282 HB2 0.13 0.01 0.10 -0.04 1.64 1.84 2dzdA1 LEU 282 HB3 0.08 0.01 0.00 -0.04 1.64 1.69 2dzdA1 LEU 282 HG -0.07 -0.02 -0.13 -0.04 1.64 1.37 2dzdA1 LEU 282 HD13 -0.02 0.02 -0.04 -0.04 0.93 0.85 2dzdA1 LEU 282 HD23 -0.07 0.02 -0.05 -0.04 0.89 0.75 2dzdA1 VAL 283 H 0.11 0.40 0.30 -0.55 8.24 8.51 2dzdA1 VAL 283 HA 0.19 0.32 1.11 -0.75 4.13 4.99 2dzdA1 VAL 283 HB 0.06 -0.11 0.06 -0.04 2.12 2.09 2dzdA1 VAL 283 HG13 0.04 0.02 -0.27 -0.04 0.97 0.72 2dzdA1 VAL 283 HG23 0.07 -0.01 -0.29 -0.04 0.95 0.68 2dzdA1 SER 284 H 0.14 0.74 0.12 -0.55 8.46 8.92 2dzdA1 SER 284 HA 0.08 0.06 0.67 -0.75 4.49 4.54 2dzdA1 SER 284 HB2 0.11 0.06 -0.21 -0.04 3.95 3.86 2dzdA1 SER 284 HB3 0.18 0.00 0.03 -0.04 3.93 4.10 2dzdA1 GLY 285 H 0.04 0.15 0.07 -0.55 8.43 8.15 2dzdA1 GLY 285 HA2 0.02 0.03 0.38 -0.51 4.01 3.93 2dzdA1 GLY 285 HA3 0.04 0.04 0.51 -0.51 4.01 4.08 2dzdA1 ASP 286 H 0.03 0.14 0.35 -0.55 8.40 8.37 2dzdA1 ASP 286 HA 0.02 0.14 0.89 -0.75 4.63 4.93 2dzdA1 ASP 286 HB2 0.01 0.04 0.07 -0.04 2.71 2.79 2dzdA1 ASP 286 HB3 0.01 -0.00 0.11 -0.04 2.70 2.78 2dzdA1 GLU 287 H 0.03 0.31 0.22 -0.55 8.60 8.62 2dzdA1 GLU 287 HA -0.10 0.15 0.77 -0.75 4.29 4.35 2dzdA1 GLU 287 HB2 0.04 0.05 0.16 -0.04 2.09 2.30 2dzdA1 GLU 287 HB3 -0.44 0.07 -0.00 -0.04 1.99 1.58 2dzdA1 GLU 287 HG2 -0.06 0.06 0.03 -0.04 2.34 2.33 2dzdA1 GLU 287 HG3 -0.13 0.03 0.02 -0.04 2.34 2.22 2dzdA1 PHE 288 H -0.63 0.28 0.22 -0.55 8.34 7.65 2dzdA1 PHE 288 HA -0.05 0.25 0.81 -0.75 4.62 4.88 2dzdA1 PHE 288 HB2 -0.12 -0.00 -0.06 -0.04 3.15 2.93 2dzdA1 PHE 288 HB3 -0.15 -0.03 -0.18 -0.04 3.06 2.66 2dzdA1 PHE 288 HD2 -0.25 0.02 -0.21 -0.04 7.28 6.80 2dzdA1 PHE 288 HE2 -0.16 0.01 -0.04 -0.04 7.38 7.14 2dzdA1 PHE 288 HZ -0.14 0.06 -0.04 -0.04 7.32 7.16 2dzdA1 TYR 289 H 0.37 0.63 0.29 -0.55 8.29 9.03 2dzdA1 TYR 289 HA 0.06 0.26 0.78 -0.75 4.56 4.91 2dzdA1 TYR 289 HB2 0.05 -0.10 0.00 -0.04 3.06 2.98 2dzdA1 TYR 289 HB3 0.05 0.01 -0.23 -0.04 2.98 2.76 2dzdA1 TYR 289 HD2 0.01 0.15 -0.33 -0.04 7.15 6.94 2dzdA1 TYR 289 HE2 -0.01 0.00 -0.13 -0.04 6.85 6.67 2dzdA1 PHE 290 H 0.41 0.69 0.22 -0.55 8.34 9.11 2dzdA1 PHE 290 HA -0.22 0.12 0.73 -0.75 4.62 4.50 2dzdA1 PHE 290 HB2 0.00 -0.01 0.04 -0.04 3.15 3.15 2dzdA1 PHE 290 HB3 0.07 0.17 0.11 -0.04 3.06 3.36 2dzdA1 PHE 290 HD2 -0.22 -0.00 -0.17 -0.04 7.28 6.85 2dzdA1 PHE 290 HE2 -0.11 -0.00 -0.35 -0.04 7.38 6.88 2dzdA1 PHE 290 HZ 0.02 -0.05 -0.27 -0.04 7.32 6.99 2dzdA1 ILE 291 H -0.99 0.39 0.34 -0.55 8.25 7.44 2dzdA1 ILE 291 HA -0.42 0.19 0.87 -0.75 4.18 4.06 2dzdA1 ILE 291 HB -0.23 -0.03 -0.02 -0.04 1.89 1.57 2dzdA1 ILE 291 HG12 -0.31 0.05 -0.21 -0.04 1.49 0.97 2dzdA1 ILE 291 HG13 -0.38 -0.00 -0.17 -0.04 1.21 0.62 2dzdA1 ILE 291 HG23 -0.09 0.01 -0.22 -0.04 0.93 0.58 2dzdA1 ILE 291 HD13 -0.25 -0.01 -0.24 -0.04 0.88 0.33 2dzdA1 GLU 292 H -1.23 0.25 0.28 -0.55 8.60 7.35 2dzdA1 GLU 292 HA -0.27 0.12 0.59 -0.75 4.29 3.97 2dzdA1 GLU 292 HB2 -0.20 0.17 -0.26 -0.04 2.09 1.76 2dzdA1 GLU 292 HB3 -0.23 -0.12 -0.15 -0.04 1.99 1.45 2dzdA1 GLU 292 HG2 -0.10 -0.09 -0.37 -0.04 2.34 1.75 2dzdA1 GLU 292 HG3 -0.06 0.11 0.05 -0.04 2.34 2.40 2dzdA1 VAL 293 H -0.02 0.28 0.18 -0.55 8.24 8.14 2dzdA1 VAL 293 HA -0.23 0.19 0.89 -0.75 4.13 4.23 2dzdA1 VAL 293 HB -0.83 -0.00 0.09 -0.04 2.12 1.34 2dzdA1 VAL 293 HG13 -0.68 0.03 -0.30 -0.04 0.97 -0.02 2dzdA1 VAL 293 HG23 -0.48 -0.01 -0.07 -0.04 0.95 0.35 2dzdA1 ASN 294 H -0.15 0.42 0.15 -0.55 8.53 8.40 2dzdA1 ASN 294 HA -0.01 0.25 0.91 -0.75 4.76 5.16 2dzdA1 ASN 294 HB2 -0.03 -0.07 0.17 -0.04 2.88 2.91 2dzdA1 ASN 294 HB3 0.01 0.01 -0.03 -0.04 2.79 2.74 2dzdA1 ASN 294 HD21 -0.03 -0.00 -0.20 -0.04 7.03 6.76 2dzdA1 ASN 294 HD22 -0.05 -0.02 -0.12 -0.04 7.74 7.51 2dzdA1 PRO 295 HA 0.21 0.08 0.36 -0.51 4.44 4.58 2dzdA1 PRO 295 HB2 0.28 0.03 0.15 -0.04 2.28 2.69 2dzdA1 PRO 295 HB3 0.35 0.03 -0.05 -0.04 2.02 2.31 2dzdA1 PRO 295 HG2 0.16 -0.02 0.01 -0.04 2.03 2.14 2dzdA1 PRO 295 HG3 0.21 0.09 0.00 -0.04 2.03 2.28 2dzdA1 PRO 295 HD2 0.07 0.01 0.17 -0.04 3.68 3.89 2dzdA1 PRO 295 HD3 0.07 0.39 0.04 -0.04 3.65 4.10 2dzdA1 ARG 296 H 0.09 0.64 0.06 -0.55 8.46 8.70 2dzdA1 ARG 296 HA 0.10 0.13 0.64 -0.75 4.34 4.45 2dzdA1 ARG 296 HB2 0.11 0.01 0.14 -0.04 1.90 2.12 2dzdA1 ARG 296 HB3 0.13 0.23 -0.23 -0.04 1.80 1.90 2dzdA1 ARG 296 HG2 0.09 -0.09 -0.42 -0.04 1.67 1.22 2dzdA1 ARG 296 HG3 0.08 0.06 -0.40 -0.04 1.67 1.37 2dzdA1 ARG 296 HD2 0.17 0.08 0.04 -0.04 3.22 3.47 2dzdA1 ARG 296 HD3 0.13 -0.12 -0.11 -0.04 3.22 3.08 2dzdA1 ILE 297 H 0.08 0.17 0.10 -0.55 8.25 8.05 2dzdA1 ILE 297 HA 0.04 0.11 0.55 -0.75 4.18 4.12 2dzdA1 ILE 297 HB 0.02 0.05 0.02 -0.04 1.89 1.93 2dzdA1 ILE 297 HG12 -0.08 0.01 0.02 -0.04 1.49 1.40 2dzdA1 ILE 297 HG13 -0.10 0.01 0.02 -0.04 1.21 1.11 2dzdA1 ILE 297 HG23 0.14 0.03 -0.29 -0.04 0.93 0.77 2dzdA1 ILE 297 HD13 -0.85 -0.02 -0.10 -0.04 0.88 -0.13 2dzdA1 GLN 298 H 0.08 0.14 0.07 -0.55 8.47 8.20 2dzdA1 GLN 298 HA -0.03 0.25 0.81 -0.75 4.36 4.63 2dzdA1 GLN 298 HB2 0.05 -0.02 -0.12 -0.04 2.15 2.02 2dzdA1 GLN 298 HB3 -0.04 -0.10 -0.04 -0.04 2.02 1.81 2dzdA1 GLN 298 HG2 -0.01 0.08 -0.19 -0.04 2.40 2.24 2dzdA1 GLN 298 HG3 0.02 0.10 -0.46 -0.04 2.39 2.02 2dzdA1 GLN 298 HE21 -0.00 0.03 -0.14 -0.04 6.97 6.81 2dzdA1 GLN 298 HE22 -0.03 0.01 -0.11 -0.04 7.69 7.52 2dzdA1 VAL 299 H -0.37 0.24 0.06 -0.55 8.24 7.61 2dzdA1 VAL 299 HA -0.02 0.07 0.27 -0.75 4.13 3.69 2dzdA1 VAL 299 HB -0.17 0.03 -0.01 -0.04 2.12 1.92 2dzdA1 VAL 299 HG13 -0.02 0.01 -0.07 -0.04 0.97 0.85 2dzdA1 VAL 299 HG23 -0.95 0.02 0.02 -0.04 0.95 0.00 2dzdA1 GLU 300 H -0.02 0.09 -0.40 -0.55 8.60 7.73 2dzdA1 GLU 300 HA -0.01 0.16 0.44 -0.75 4.29 4.12 2dzdA1 GLU 300 HB2 0.02 0.03 0.03 -0.04 2.09 2.13 2dzdA1 GLU 300 HB3 -0.01 0.03 -0.08 -0.04 1.99 1.89 2dzdA1 GLU 300 HG2 0.04 0.01 -0.35 -0.04 2.34 2.00 2dzdA1 GLU 300 HG3 0.03 0.05 -0.16 -0.04 2.34 2.22 2dzdA1 HIS 301 H 0.25 0.55 -0.53 -0.55 8.41 8.13 2dzdA1 HIS 301 HA 0.04 0.09 0.40 -0.75 4.63 4.41 2dzdA1 HIS 301 HB2 0.05 -0.00 0.05 -0.04 3.26 3.32 2dzdA1 HIS 301 HB3 0.06 -0.04 0.09 -0.04 3.20 3.27 2dzdA1 HIS 301 HD2 0.04 -0.09 -0.16 -0.04 6.97 6.73 2dzdA1 HIS 301 HE1 0.08 -0.02 -0.07 -0.04 7.75 7.70 2dzdA1 THR 302 H -0.31 0.16 -0.50 -0.55 8.28 7.07 2dzdA1 THR 302 HA -0.28 0.04 0.09 -0.75 4.39 3.48 2dzdA1 THR 302 HB -0.09 0.02 -0.08 -0.04 4.32 4.13 2dzdA1 THR 302 HG23 -0.07 0.01 -0.11 -0.04 1.22 1.01 2dzdA1 ILE 303 H -0.00 0.24 -0.40 -0.55 8.25 7.54 2dzdA1 ILE 303 HA 0.07 0.10 0.15 -0.75 4.18 3.76 2dzdA1 ILE 303 HB 0.11 0.09 -0.14 -0.04 1.89 1.91 2dzdA1 ILE 303 HG12 0.05 0.14 -0.06 -0.04 1.49 1.57 2dzdA1 ILE 303 HG13 0.07 0.05 -0.27 -0.04 1.21 1.02 2dzdA1 ILE 303 HG23 0.07 -0.01 -0.30 -0.04 0.93 0.64 2dzdA1 ILE 303 HD13 0.08 -0.02 -0.29 -0.04 0.88 0.62 2dzdA1 THR 304 H 0.06 0.18 -0.27 -0.55 8.28 7.70 2dzdA1 THR 304 HA 0.08 0.15 0.56 -0.75 4.39 4.42 2dzdA1 THR 304 HB 0.10 0.03 0.08 -0.04 4.32 4.49 2dzdA1 THR 304 HG23 0.11 0.03 -0.09 -0.04 1.22 1.23 2dzdA1 GLU 305 H 0.06 0.34 -0.10 -0.55 8.60 8.35 2dzdA1 GLU 305 HA 0.05 0.15 0.45 -0.75 4.29 4.19 2dzdA1 GLU 305 HB2 0.01 0.19 0.07 -0.04 2.09 2.32 2dzdA1 GLU 305 HB3 0.03 -0.01 -0.04 -0.04 1.99 1.93 2dzdA1 GLU 305 HG2 0.11 0.08 0.19 -0.04 2.34 2.68 2dzdA1 GLU 305 HG3 0.14 0.14 0.03 -0.04 2.34 2.61 2dzdA1 MET 306 H 0.03 0.20 -0.53 -0.55 8.47 7.62 2dzdA1 MET 306 HA -0.13 0.05 0.38 -0.75 4.52 4.07 2dzdA1 MET 306 HB2 0.13 0.09 0.04 -0.04 2.15 2.36 2dzdA1 MET 306 HB3 0.01 0.00 -0.06 -0.04 2.03 1.94 2dzdA1 MET 306 HG2 -0.08 -0.03 -0.09 -0.04 2.63 2.40 2dzdA1 MET 306 HG3 -0.01 0.19 -0.04 -0.04 2.56 2.67 2dzdA1 MET 306 HE3 0.03 0.01 -0.14 -0.04 2.10 1.96 2dzdA1 ILE 307 H 0.09 0.32 -0.12 -0.55 8.25 7.99 2dzdA1 ILE 307 HA 0.22 0.28 0.56 -0.75 4.18 4.49 2dzdA1 ILE 307 HB 0.02 -0.15 -0.00 -0.04 1.89 1.72 2dzdA1 ILE 307 HG12 0.07 0.11 0.22 -0.04 1.49 1.86 2dzdA1 ILE 307 HG13 0.04 0.08 -0.08 -0.04 1.21 1.21 2dzdA1 ILE 307 HG23 0.18 0.07 -0.23 -0.04 0.93 0.90 2dzdA1 ILE 307 HD13 -0.02 -0.04 -0.16 -0.04 0.88 0.62 2dzdA1 THR 308 H 0.04 0.40 -0.15 -0.55 8.28 8.02 2dzdA1 THR 308 HA 0.03 0.51 0.94 -0.75 4.39 5.11 2dzdA1 THR 308 HB 0.07 -0.04 0.02 -0.04 4.32 4.33 2dzdA1 THR 308 HG23 0.11 -0.01 -0.10 -0.04 1.22 1.19 2dzdA1 GLY 309 H -0.02 0.39 -0.14 -0.55 8.43 8.12 2dzdA1 GLY 309 HA2 -0.06 0.01 0.29 -0.51 4.01 3.74 2dzdA1 GLY 309 HA3 -0.03 0.10 0.62 -0.51 4.01 4.20 2dzdA1 ILE 310 H 0.03 0.06 -0.19 -0.55 8.25 7.59 2dzdA1 ILE 310 HA 0.02 0.24 0.85 -0.75 4.18 4.54 2dzdA1 ILE 310 HB 0.05 -0.09 -0.07 -0.04 1.89 1.74 2dzdA1 ILE 310 HG12 0.04 0.10 -0.13 -0.04 1.49 1.45 2dzdA1 ILE 310 HG13 0.04 0.09 -0.36 -0.04 1.21 0.94 2dzdA1 ILE 310 HG23 0.04 -0.02 -0.36 -0.04 0.93 0.55 2dzdA1 ILE 310 HD13 0.06 -0.01 -0.11 -0.04 0.88 0.77 2dzdA1 ASP 311 H 0.03 0.30 0.05 -0.55 8.40 8.23 2dzdA1 ASP 311 HA 0.05 0.03 0.64 -0.75 4.63 4.59 2dzdA1 ASP 311 HB2 0.02 0.16 0.07 -0.04 2.71 2.92 2dzdA1 ASP 311 HB3 0.03 0.03 0.12 -0.04 2.70 2.84 2dzdA1 ILE 312 H 0.10 0.18 0.11 -0.55 8.25 8.10 2dzdA1 ILE 312 HA 0.05 0.19 0.35 -0.75 4.18 4.02 2dzdA1 ILE 312 HB 0.14 -0.07 0.04 -0.04 1.89 1.96 2dzdA1 ILE 312 HG12 0.08 0.07 -0.15 -0.04 1.49 1.44 2dzdA1 ILE 312 HG13 0.11 0.14 -0.04 -0.04 1.21 1.38 2dzdA1 ILE 312 HG23 0.04 0.00 -0.15 -0.04 0.93 0.78 2dzdA1 ILE 312 HD13 0.14 0.00 -0.04 -0.04 0.88 0.94 2dzdA1 VAL 313 H 0.06 0.10 -0.04 -0.55 8.24 7.81 2dzdA1 VAL 313 HA 0.02 0.11 0.40 -0.75 4.13 3.91 2dzdA1 VAL 313 HB 0.01 0.03 0.02 -0.04 2.12 2.14 2dzdA1 VAL 313 HG13 -0.10 0.02 -0.14 -0.04 0.97 0.71 2dzdA1 VAL 313 HG23 -0.14 -0.01 -0.06 -0.04 0.95 0.70 2dzdA1 GLN 314 H 0.04 0.05 -0.27 -0.55 8.47 7.73 2dzdA1 GLN 314 HA 0.03 0.11 0.37 -0.75 4.36 4.12 2dzdA1 GLN 314 HB2 0.03 -0.11 0.01 -0.04 2.15 2.04 2dzdA1 GLN 314 HB3 0.03 0.14 -0.13 -0.04 2.02 2.01 2dzdA1 GLN 314 HG2 0.03 0.09 0.02 -0.04 2.40 2.49 2dzdA1 GLN 314 HG3 0.03 -0.09 0.03 -0.04 2.39 2.32 2dzdA1 GLN 314 HE21 0.02 0.03 -0.04 -0.04 6.97 6.94 2dzdA1 GLN 314 HE22 0.02 -0.06 -0.01 -0.04 7.69 7.60 2dzdA1 SER 315 H 0.03 0.19 -0.59 -0.55 8.46 7.55 2dzdA1 SER 315 HA 0.02 0.07 0.33 -0.75 4.49 4.16 2dzdA1 SER 315 HB2 0.03 0.10 0.08 -0.04 3.95 4.12 2dzdA1 SER 315 HB3 0.01 -0.06 -0.11 -0.04 3.93 3.73 2dzdA1 GLN 316 H 0.04 0.48 -0.10 -0.55 8.47 8.35 2dzdA1 GLN 316 HA 0.01 -0.02 0.38 -0.75 4.36 3.98 2dzdA1 GLN 316 HB2 0.11 0.20 0.13 -0.04 2.15 2.54 2dzdA1 GLN 316 HB3 0.01 -0.02 -0.06 -0.04 2.02 1.91 2dzdA1 GLN 316 HG2 0.02 -0.08 0.04 -0.04 2.40 2.33 2dzdA1 GLN 316 HG3 0.04 0.24 0.05 -0.04 2.39 2.67 2dzdA1 GLN 316 HE21 -0.02 -0.04 -0.01 -0.04 6.97 6.86 2dzdA1 GLN 316 HE22 -0.04 -0.00 -0.02 -0.04 7.69 7.59 2dzdA1 ILE 317 H 0.05 0.37 -0.46 -0.55 8.25 7.67 2dzdA1 ILE 317 HA 0.05 0.02 0.24 -0.75 4.18 3.74 2dzdA1 ILE 317 HB 0.05 0.18 0.06 -0.04 1.89 2.13 2dzdA1 ILE 317 HG12 0.13 -0.08 -0.10 -0.04 1.49 1.41 2dzdA1 ILE 317 HG13 0.09 0.22 0.01 -0.04 1.21 1.48 2dzdA1 ILE 317 HG23 0.05 0.00 -0.16 -0.04 0.93 0.78 2dzdA1 ILE 317 HD13 0.05 -0.01 -0.17 -0.04 0.88 0.71 2dzdA1 LEU 318 H 0.04 0.42 -0.14 -0.55 8.37 8.14 2dzdA1 LEU 318 HA 0.04 0.05 0.30 -0.75 4.35 3.98 2dzdA1 LEU 318 HB2 0.03 0.04 0.06 -0.04 1.64 1.73 2dzdA1 LEU 318 HB3 0.03 -0.13 -0.09 -0.04 1.64 1.41 2dzdA1 LEU 318 HG 0.03 0.29 0.05 -0.04 1.64 1.97 2dzdA1 LEU 318 HD13 0.03 -0.04 -0.25 -0.04 0.93 0.63 2dzdA1 LEU 318 HD23 0.03 -0.01 -0.08 -0.04 0.89 0.78 2dzdA1 ILE 319 H 0.03 0.81 -0.12 -0.55 8.25 8.42 2dzdA1 ILE 319 HA 0.07 0.21 0.48 -0.75 4.18 4.18 2dzdA1 ILE 319 HB 0.00 0.07 0.09 -0.04 1.89 2.01 2dzdA1 ILE 319 HG12 -0.01 -0.08 -0.10 -0.04 1.49 1.26 2dzdA1 ILE 319 HG13 0.01 0.10 -0.05 -0.04 1.21 1.23 2dzdA1 ILE 319 HG23 -0.05 -0.02 0.01 -0.04 0.93 0.83 2dzdA1 ILE 319 HD13 -0.02 -0.02 -0.24 -0.04 0.88 0.55 2dzdA1 ALA 320 H 0.06 0.46 -0.34 -0.55 8.40 8.03 2dzdA1 ALA 320 HA 0.21 0.05 0.47 -0.75 4.34 4.31 2dzdA1 ALA 320 HB3 0.04 0.00 0.06 -0.04 1.41 1.47 2dzdA1 ASP 321 H 0.06 0.33 -0.41 -0.55 8.40 7.83 2dzdA1 ASP 321 HA 0.01 0.15 0.75 -0.75 4.63 4.79 2dzdA1 ASP 321 HB2 0.03 0.11 0.08 -0.04 2.71 2.89 2dzdA1 ASP 321 HB3 0.03 -0.01 0.13 -0.04 2.70 2.80 2dzdA1 GLY 322 H 0.09 0.35 -0.49 -0.55 8.43 7.84 2dzdA1 GLY 322 HA2 -0.01 -0.03 0.25 -0.51 4.01 3.71 2dzdA1 GLY 322 HA3 -0.03 0.17 0.44 -0.51 4.01 4.07 2dzdA1 CYS 323 H 0.06 0.52 -0.03 -0.55 8.50 8.51 2dzdA1 CYS 323 HA 0.04 0.07 0.57 -0.75 4.58 4.50 2dzdA1 CYS 323 HB2 0.04 0.02 -0.24 -0.04 2.97 2.74 2dzdA1 CYS 323 HB3 0.03 -0.15 -0.03 -0.04 2.97 2.78 2dzdA1 SER 324 H 0.02 0.08 0.18 -0.55 8.46 8.20 2dzdA1 SER 324 HA 0.01 0.15 0.78 -0.75 4.49 4.68 2dzdA1 SER 324 HB2 0.02 -0.04 0.10 -0.04 3.95 3.99 2dzdA1 SER 324 HB3 0.03 0.14 0.08 -0.04 3.93 4.14 2dzdA1 LEU 325 H -0.11 0.13 0.08 -0.55 8.37 7.92 2dzdA1 LEU 325 HA -0.14 0.08 0.13 -0.75 4.35 3.67 2dzdA1 LEU 325 HB2 -0.71 -0.04 -0.07 -0.04 1.64 0.78 2dzdA1 LEU 325 HB3 -0.46 0.12 -0.14 -0.04 1.64 1.12 2dzdA1 LEU 325 HG -0.12 -0.15 -0.09 -0.04 1.64 1.25 2dzdA1 LEU 325 HD13 -0.09 0.08 -0.34 -0.04 0.93 0.54 2dzdA1 LEU 325 HD23 -0.07 0.00 -0.32 -0.04 0.89 0.46 2dzdA1 HIS 326 H -0.12 -0.07 -0.40 -0.55 8.41 7.27 2dzdA1 HIS 326 HA -0.00 0.48 0.78 -0.75 4.63 5.14 2dzdA1 HIS 326 HB2 -0.02 -0.09 -0.06 -0.04 3.26 3.06 2dzdA1 HIS 326 HB3 -0.02 0.02 0.04 -0.04 3.20 3.20 2dzdA1 HIS 326 HD2 -0.00 -0.05 -0.08 -0.04 6.97 6.79 2dzdA1 HIS 326 HE1 -0.02 0.22 -0.23 -0.04 7.75 7.68 2dzdA1 SER 327 H -0.00 0.29 -0.34 -0.55 8.46 7.86 2dzdA1 SER 327 HA -0.04 0.09 0.44 -0.75 4.49 4.23 2dzdA1 SER 327 HB2 0.02 -0.00 0.18 -0.04 3.95 4.11 2dzdA1 SER 327 HB3 0.01 -0.17 0.21 -0.04 3.93 3.94 2dzdA1 HIS 328 H 0.02 0.11 0.14 -0.55 8.41 8.13 2dzdA1 HIS 328 HA 0.03 0.15 0.30 -0.75 4.63 4.35 2dzdA1 HIS 328 HB2 0.02 -0.07 0.14 -0.04 3.26 3.31 2dzdA1 HIS 328 HB3 0.02 0.07 -0.07 -0.04 3.20 3.18 2dzdA1 HIS 328 HD2 0.02 -0.01 0.03 -0.04 6.97 6.96 2dzdA1 HIS 328 HE1 0.02 0.00 -0.01 -0.04 7.75 7.71 2dzdA1 GLU 329 H 0.10 -0.07 -0.20 -0.55 8.60 7.88 2dzdA1 GLU 329 HA 0.06 0.19 0.30 -0.75 4.29 4.08 2dzdA1 GLU 329 HB2 0.04 0.07 -0.10 -0.04 2.09 2.06 2dzdA1 GLU 329 HB3 0.05 0.04 -0.00 -0.04 1.99 2.04 2dzdA1 GLU 329 HG2 0.05 -0.15 0.00 -0.04 2.34 2.19 2dzdA1 GLU 329 HG3 0.04 0.09 -0.03 -0.04 2.34 2.40 2dzdA1 VAL 330 H 0.04 -0.08 -0.25 -0.55 8.24 7.40 2dzdA1 VAL 330 HA 0.02 0.05 0.39 -0.75 4.13 3.84 2dzdA1 VAL 330 HB -0.01 0.05 -0.07 -0.04 2.12 2.05 2dzdA1 VAL 330 HG13 -0.02 -0.05 -0.18 -0.04 0.97 0.69 2dzdA1 VAL 330 HG23 0.01 -0.05 -0.28 -0.04 0.95 0.59 2dzdA1 GLY 331 H 0.03 0.24 -0.25 -0.55 8.43 7.91 2dzdA1 GLY 331 HA2 0.06 0.09 0.09 -0.51 4.01 3.74 2dzdA1 GLY 331 HA3 0.05 0.09 0.00 -0.51 4.01 3.64 2dzdA1 ILE 332 H 0.01 0.17 -0.23 -0.55 8.25 7.65 2dzdA1 ILE 332 HA 0.05 0.10 0.60 -0.75 4.18 4.17 2dzdA1 ILE 332 HB -0.10 0.15 0.07 -0.04 1.89 1.97 2dzdA1 ILE 332 HG12 0.02 -0.01 -0.12 -0.04 1.49 1.34 2dzdA1 ILE 332 HG13 -0.00 0.03 -0.23 -0.04 1.21 0.97 2dzdA1 ILE 332 HG23 0.03 0.03 -0.20 -0.04 0.93 0.74 2dzdA1 ILE 332 HD13 -0.02 -0.05 -0.13 -0.04 0.88 0.63 2dzdA1 PRO 333 HA 0.11 0.04 0.38 -0.51 4.44 4.46 2dzdA1 PRO 333 HB2 0.03 -0.02 -0.03 -0.04 2.28 2.23 2dzdA1 PRO 333 HB3 0.04 0.03 0.04 -0.04 2.02 2.09 2dzdA1 PRO 333 HG2 0.06 -0.00 -0.14 -0.04 2.03 1.91 2dzdA1 PRO 333 HG3 0.05 0.10 -0.05 -0.04 2.03 2.08 2dzdA1 PRO 333 HD2 0.06 0.02 0.14 -0.04 3.68 3.86 2dzdA1 PRO 333 HD3 0.06 0.32 0.22 -0.04 3.65 4.21 2dzdA1 LYS 334 H -0.06 0.07 0.08 -0.55 8.42 7.96 2dzdA1 LYS 334 HA -0.19 0.12 0.53 -0.75 4.32 4.03 2dzdA1 LYS 334 HB2 -0.08 -0.01 0.04 -0.04 1.87 1.79 2dzdA1 LYS 334 HB3 -0.10 -0.09 0.07 -0.04 1.79 1.64 2dzdA1 LYS 334 HG2 -0.34 0.04 0.04 -0.04 1.46 1.16 2dzdA1 LYS 334 HG3 -0.13 0.03 0.03 -0.04 1.46 1.35 2dzdA1 LYS 334 HD2 -0.25 0.00 0.07 -0.04 1.69 1.46 2dzdA1 LYS 334 HD3 -0.23 0.03 0.01 -0.04 1.68 1.45 2dzdA1 LYS 334 HE2 -0.08 0.03 0.02 -0.04 2.99 2.93 2dzdA1 LYS 334 HE3 -0.08 0.01 0.02 -0.04 2.99 2.90 2dzdA1 GLN 335 H -0.05 0.15 0.16 -0.55 8.47 8.19 2dzdA1 GLN 335 HA -0.08 0.14 0.30 -0.75 4.36 3.96 2dzdA1 GLN 335 HB2 -0.08 0.05 0.21 -0.04 2.15 2.29 2dzdA1 GLN 335 HB3 -0.07 -0.04 0.14 -0.04 2.02 2.02 2dzdA1 GLN 335 HG2 -0.19 -0.01 0.03 -0.04 2.40 2.20 2dzdA1 GLN 335 HG3 -0.20 0.04 -0.07 -0.04 2.39 2.13 2dzdA1 GLN 335 HE21 -0.76 0.35 0.16 -0.04 6.97 6.68 2dzdA1 GLN 335 HE22 -0.46 0.03 0.07 -0.04 7.69 7.29 2dzdA1 GLU 336 H -0.03 0.02 -0.17 -0.55 8.60 7.87 2dzdA1 GLU 336 HA 0.01 0.09 0.16 -0.75 4.29 3.80 2dzdA1 GLU 336 HB2 0.00 0.03 0.10 -0.04 2.09 2.18 2dzdA1 GLU 336 HB3 -0.01 -0.06 0.09 -0.04 1.99 1.97 2dzdA1 GLU 336 HG2 -0.00 0.10 -0.37 -0.04 2.34 2.03 2dzdA1 GLU 336 HG3 -0.01 -0.00 -0.05 -0.04 2.34 2.24 2dzdA1 ASP 337 H 0.01 0.27 -0.62 -0.55 8.40 7.52 2dzdA1 ASP 337 HA 0.03 0.17 0.82 -0.75 4.63 4.89 2dzdA1 ASP 337 HB2 0.02 0.03 -0.03 -0.04 2.71 2.68 2dzdA1 ASP 337 HB3 0.02 0.01 0.07 -0.04 2.70 2.76 2dzdA1 ILE 338 H 0.04 0.33 -0.05 -0.55 8.25 8.01 2dzdA1 ILE 338 HA 0.07 0.07 0.66 -0.75 4.18 4.22 2dzdA1 ILE 338 HB 0.07 0.05 0.14 -0.04 1.89 2.11 2dzdA1 ILE 338 HG12 0.06 -0.00 -0.05 -0.04 1.49 1.46 2dzdA1 ILE 338 HG13 0.04 0.12 -0.17 -0.04 1.21 1.16 2dzdA1 ILE 338 HG23 0.18 -0.01 -0.14 -0.04 0.93 0.92 2dzdA1 ILE 338 HD13 0.02 -0.02 -0.11 -0.04 0.88 0.72 2dzdA1 ARG 339 H 0.07 0.27 0.23 -0.55 8.46 8.47 2dzdA1 ARG 339 HA 0.02 0.11 0.89 -0.75 4.34 4.62 2dzdA1 ARG 339 HB2 0.02 0.01 -0.04 -0.04 1.90 1.85 2dzdA1 ARG 339 HB3 -0.01 0.01 0.02 -0.04 1.80 1.77 2dzdA1 ARG 339 HG2 0.04 -0.02 -0.15 -0.04 1.67 1.50 2dzdA1 ARG 339 HG3 0.05 0.12 -0.68 -0.04 1.67 1.12 2dzdA1 ARG 339 HD2 0.02 -0.00 -0.04 -0.04 3.22 3.16 2dzdA1 ARG 339 HD3 0.02 -0.06 -0.03 -0.04 3.22 3.10 2dzdA1 ILE 340 H -0.24 0.10 0.17 -0.55 8.25 7.72 2dzdA1 ILE 340 HA -0.08 0.47 0.85 -0.75 4.18 4.66 2dzdA1 ILE 340 HB -0.20 0.07 -0.01 -0.04 1.89 1.71 2dzdA1 ILE 340 HG12 -0.39 -0.06 0.16 -0.04 1.49 1.17 2dzdA1 ILE 340 HG13 -0.22 0.01 -0.03 -0.04 1.21 0.92 2dzdA1 ILE 340 HG23 -0.62 -0.02 -0.17 -0.04 0.93 0.08 2dzdA1 ILE 340 HD13 -0.38 -0.01 0.03 -0.04 0.88 0.48 2dzdA1 ASN 341 H 0.07 0.63 0.28 -0.55 8.53 8.96 2dzdA1 ASN 341 HA 0.07 0.05 0.94 -0.75 4.76 5.07 2dzdA1 ASN 341 HB2 0.16 0.11 0.13 -0.04 2.88 3.24 2dzdA1 ASN 341 HB3 0.29 -0.10 0.01 -0.04 2.79 2.96 2dzdA1 ASN 341 HD21 0.04 -0.02 -0.09 -0.04 7.03 6.91 2dzdA1 ASN 341 HD22 0.04 0.02 -0.08 -0.04 7.74 7.67 2dzdA1 GLY 342 H 0.00 0.08 0.14 -0.55 8.43 8.11 2dzdA1 GLY 342 HA2 -0.02 0.26 0.49 -0.51 4.01 4.23 2dzdA1 GLY 342 HA3 -0.19 0.03 0.46 -0.51 4.01 3.80 2dzdA1 TYR 343 H -0.41 0.65 0.34 -0.55 8.29 8.32 2dzdA1 TYR 343 HA 0.01 0.44 1.12 -0.75 4.56 5.38 2dzdA1 TYR 343 HB2 -0.08 -0.11 -0.15 -0.04 3.06 2.68 2dzdA1 TYR 343 HB3 0.14 -0.00 0.03 -0.04 2.98 3.11 2dzdA1 TYR 343 HD2 -0.04 0.06 -0.21 -0.04 7.15 6.92 2dzdA1 TYR 343 HE2 -0.09 0.01 -0.05 -0.04 6.85 6.68 2dzdA1 ALA 344 H 0.19 0.48 0.42 -0.55 8.40 8.94 2dzdA1 ALA 344 HA 0.15 0.39 0.90 -0.75 4.34 5.02 2dzdA1 ALA 344 HB3 0.26 -0.00 -0.01 -0.04 1.41 1.61 2dzdA1 ILE 345 H 0.13 0.49 0.41 -0.55 8.25 8.73 2dzdA1 ILE 345 HA 0.18 0.35 1.16 -0.75 4.18 5.11 2dzdA1 ILE 345 HB 0.12 -0.01 0.08 -0.04 1.89 2.03 2dzdA1 ILE 345 HG12 0.39 0.03 -0.12 -0.04 1.49 1.75 2dzdA1 ILE 345 HG13 0.19 -0.07 -0.40 -0.04 1.21 0.90 2dzdA1 ILE 345 HG23 0.20 0.02 -0.04 -0.04 0.93 1.07 2dzdA1 ILE 345 HD13 0.17 0.02 -0.22 -0.04 0.88 0.81 2dzdA1 GLN 346 H 0.09 0.45 0.39 -0.55 8.47 8.86 2dzdA1 GLN 346 HA 0.05 0.48 1.18 -0.75 4.36 5.32 2dzdA1 GLN 346 HB2 0.04 -0.06 -0.07 -0.04 2.15 2.02 2dzdA1 GLN 346 HB3 0.04 -0.09 0.10 -0.04 2.02 2.03 2dzdA1 GLN 346 HG2 0.01 -0.02 -0.25 -0.04 2.40 2.10 2dzdA1 GLN 346 HG3 0.02 0.09 -0.03 -0.04 2.39 2.44 2dzdA1 GLN 346 HE21 -0.05 0.08 0.02 -0.04 6.97 6.98 2dzdA1 GLN 346 HE22 -0.02 0.03 -0.11 -0.04 7.69 7.55 2dzdA1 SER 347 H 0.03 0.57 0.42 -0.55 8.46 8.94 2dzdA1 SER 347 HA -0.01 0.26 0.39 -0.75 4.49 4.37 2dzdA1 SER 347 HB2 -0.03 -0.05 0.18 -0.04 3.95 4.01 2dzdA1 SER 347 HB3 -0.04 0.09 0.15 -0.04 3.93 4.09 2dzdA1 ARG 348 H -0.01 0.30 0.14 -0.55 8.46 8.34 2dzdA1 ARG 348 HA 0.01 0.16 1.16 -0.75 4.34 4.91 2dzdA1 ARG 348 HB2 0.00 0.06 0.11 -0.04 1.90 2.03 2dzdA1 ARG 348 HB3 0.01 0.02 -0.03 -0.04 1.80 1.75 2dzdA1 ARG 348 HG2 0.01 0.00 -0.09 -0.04 1.67 1.55 2dzdA1 ARG 348 HG3 0.03 -0.02 -0.04 -0.04 1.67 1.60 2dzdA1 ARG 348 HD2 0.01 -0.03 -0.21 -0.04 3.22 2.95 2dzdA1 ARG 348 HD3 0.01 0.23 -0.86 -0.04 3.22 2.57 2dzdA1 VAL 349 H -0.03 0.42 0.28 -0.55 8.24 8.35 2dzdA1 VAL 349 HA -0.07 0.01 0.62 -0.75 4.13 3.93 2dzdA1 VAL 349 HB -0.16 -0.06 0.27 -0.04 2.12 2.13 2dzdA1 VAL 349 HG13 -0.26 -0.00 -0.04 -0.04 0.97 0.62 2dzdA1 VAL 349 HG23 -0.34 0.02 0.03 -0.04 0.95 0.61 2dzdA1 THR 350 H -0.02 0.08 0.37 -0.55 8.28 8.16 2dzdA1 THR 350 HA 0.00 0.10 1.15 -0.75 4.39 4.89 2dzdA1 THR 350 HB 0.02 0.06 0.22 -0.04 4.32 4.58 2dzdA1 THR 350 HG23 0.02 0.05 -0.13 -0.04 1.22 1.12 2dzdA1 THR 351 H 0.00 0.48 0.24 -0.55 8.28 8.45 2dzdA1 THR 351 HA -0.02 0.39 0.90 -0.75 4.39 4.90 2dzdA1 THR 351 HB -0.02 -0.02 0.18 -0.04 4.32 4.41 2dzdA1 THR 351 HG23 -0.01 0.01 -0.09 -0.04 1.22 1.09 2dzdA1 GLU 352 H 0.02 -0.04 -0.48 -0.55 8.60 7.55 2dzdA1 GLU 352 HA 0.02 0.21 0.30 -0.75 4.29 4.07 2dzdA1 GLU 352 HB2 0.13 -0.13 0.04 -0.04 2.09 2.08 2dzdA1 GLU 352 HB3 0.22 0.05 -0.17 -0.04 1.99 2.04 2dzdA1 GLU 352 HG2 0.07 0.29 -0.05 -0.04 2.34 2.60 2dzdA1 GLU 352 HG3 0.04 -0.15 -0.05 -0.04 2.34 2.14 2dzdA1 ASP 353 H -0.05 0.59 -0.12 -0.55 8.40 8.28 2dzdA1 ASP 353 HA -0.17 0.20 0.46 -0.75 4.63 4.37 2dzdA1 ASP 353 HB2 -0.09 0.05 0.03 -0.04 2.71 2.66 2dzdA1 ASP 353 HB3 -0.10 0.09 0.14 -0.04 2.70 2.79 2dzdA1 PRO 354 HA -1.49 0.04 0.30 -0.51 4.44 2.77 2dzdA1 PRO 354 HB2 -0.95 0.09 -0.03 -0.04 2.28 1.35 2dzdA1 PRO 354 HB3 -0.75 0.03 0.10 -0.04 2.02 1.36 2dzdA1 PRO 354 HG2 -0.76 0.02 0.05 -0.04 2.03 1.30 2dzdA1 PRO 354 HG3 -0.46 -0.06 0.11 -0.04 2.03 1.58 2dzdA1 PRO 354 HD2 -0.29 0.10 0.28 -0.04 3.68 3.73 2dzdA1 PRO 354 HD3 -0.24 0.38 0.22 -0.04 3.65 3.97 2dzdA1 LEU 355 H -0.32 0.07 -0.67 -0.55 8.37 6.90 2dzdA1 LEU 355 HA -0.11 0.22 0.70 -0.75 4.35 4.41 2dzdA1 LEU 355 HB2 -0.16 -0.01 0.02 -0.04 1.64 1.45 2dzdA1 LEU 355 HB3 -0.08 0.04 0.17 -0.04 1.64 1.74 2dzdA1 LEU 355 HG -0.03 0.05 -0.05 -0.04 1.64 1.57 2dzdA1 LEU 355 HD13 -0.63 -0.05 -0.18 -0.04 0.93 0.03 2dzdA1 LEU 355 HD23 -0.08 0.00 0.01 -0.04 0.89 0.78 2dzdA1 ASN 356 H -0.21 0.38 -0.41 -0.55 8.53 7.74 2dzdA1 ASN 356 HA -0.06 0.17 0.63 -0.75 4.76 4.75 2dzdA1 ASN 356 HB2 -0.08 0.00 -0.17 -0.04 2.88 2.59 2dzdA1 ASN 356 HB3 -0.08 0.01 0.13 -0.04 2.79 2.81 2dzdA1 ASN 356 HD21 -0.03 0.01 0.01 -0.04 7.03 6.98 2dzdA1 ASN 356 HD22 -0.04 0.03 0.03 -0.04 7.74 7.72 2dzdA1 ASN 357 H -0.09 0.23 -0.06 -0.55 8.53 8.06 2dzdA1 ASN 357 HA 0.06 0.07 0.29 -0.75 4.76 4.42 2dzdA1 ASN 357 HB2 0.01 0.17 -0.04 -0.04 2.88 2.98 2dzdA1 ASN 357 HB3 0.05 0.01 0.18 -0.04 2.79 2.99 2dzdA1 ASN 357 HD21 -0.01 0.00 -0.05 -0.04 7.03 6.93 2dzdA1 ASN 357 HD22 -0.00 0.02 -0.08 -0.04 7.74 7.64 2dzdA1 PHE 358 H -0.25 0.16 -0.39 -0.55 8.34 7.31 2dzdA1 PHE 358 HA -0.08 -0.12 -0.33 -0.75 4.62 3.33 2dzdA1 PHE 358 HB2 -0.06 0.25 -0.24 -0.04 3.15 3.05 2dzdA1 PHE 358 HB3 -0.07 -0.05 0.04 -0.04 3.06 2.94 2dzdA1 PHE 358 HD2 -0.10 -0.02 -0.25 -0.04 7.28 6.87 2dzdA1 PHE 358 HE2 -0.28 -0.00 -0.04 -0.04 7.38 7.02 2dzdA1 PHE 358 HZ -1.40 0.04 -0.03 -0.04 7.32 5.89 2dzdA1 MET 359 H 0.01 0.45 -0.51 -0.55 8.47 7.88 2dzdA1 MET 359 HA 0.03 0.12 0.53 -0.75 4.52 4.44 2dzdA1 MET 359 HB2 0.00 0.10 0.09 -0.04 2.15 2.30 2dzdA1 MET 359 HB3 -0.02 -0.09 0.05 -0.04 2.03 1.93 2dzdA1 MET 359 HG2 -0.01 0.11 -0.02 -0.04 2.63 2.67 2dzdA1 MET 359 HG3 -0.00 -0.03 0.02 -0.04 2.56 2.51 2dzdA1 MET 359 HE3 -0.01 -0.01 -0.00 -0.04 2.10 2.03 2dzdA1 PRO 360 HA -0.00 0.10 0.36 -0.51 4.44 4.39 2dzdA1 PRO 360 HB2 -0.01 0.06 -0.05 -0.04 2.28 2.25 2dzdA1 PRO 360 HB3 0.01 -0.06 -0.03 -0.04 2.02 1.89 2dzdA1 PRO 360 HG2 -0.01 0.01 0.11 -0.04 2.03 2.09 2dzdA1 PRO 360 HG3 0.01 0.04 0.05 -0.04 2.03 2.09 2dzdA1 PRO 360 HD2 0.00 0.05 0.22 -0.04 3.68 3.92 2dzdA1 PRO 360 HD3 0.02 0.24 0.24 -0.04 3.65 4.11 2dzdA1 ASP 361 H -0.03 0.74 0.41 -0.55 8.40 8.98 2dzdA1 ASP 361 HA -0.03 0.02 0.55 -0.75 4.63 4.41 2dzdA1 ASP 361 HB2 -0.04 -0.00 0.20 -0.04 2.71 2.83 2dzdA1 ASP 361 HB3 -0.03 0.01 0.13 -0.04 2.70 2.76 2dzdA1 THR 362 H -0.04 0.13 0.22 -0.55 8.28 8.04 2dzdA1 THR 362 HA -0.04 0.17 0.71 -0.75 4.39 4.48 2dzdA1 THR 362 HB -0.07 0.10 0.19 -0.04 4.32 4.50 2dzdA1 THR 362 HG23 -0.08 0.03 -0.42 -0.04 1.22 0.71 2dzdA1 GLY 363 H -0.04 0.67 0.33 -0.55 8.43 8.84 2dzdA1 GLY 363 HA2 -0.03 -0.01 0.30 -0.51 4.01 3.76 2dzdA1 GLY 363 HA3 -0.03 0.25 1.03 -0.51 4.01 4.75 2dzdA1 LYS 364 H -0.03 0.22 0.21 -0.55 8.42 8.26 2dzdA1 LYS 364 HA -0.07 0.45 1.08 -0.75 4.32 5.03 2dzdA1 LYS 364 HB2 -0.03 -0.06 -0.00 -0.04 1.87 1.74 2dzdA1 LYS 364 HB3 -0.02 -0.06 0.13 -0.04 1.79 1.80 2dzdA1 LYS 364 HG2 -0.03 -0.00 -0.40 -0.04 1.46 0.98 2dzdA1 LYS 364 HG3 -0.04 0.20 -0.18 -0.04 1.46 1.40 2dzdA1 LYS 364 HD2 -0.01 -0.04 -0.03 -0.04 1.69 1.57 2dzdA1 LYS 364 HD3 -0.01 -0.06 -0.05 -0.04 1.68 1.52 2dzdA1 LYS 364 HE2 0.00 -0.05 -0.01 -0.04 2.99 2.89 2dzdA1 LYS 364 HE3 -0.00 0.02 -0.03 -0.04 2.99 2.94 2dzdA1 ILE 365 H -0.12 0.48 0.16 -0.55 8.25 8.22 2dzdA1 ILE 365 HA -0.02 0.03 0.53 -0.75 4.18 3.96 2dzdA1 ILE 365 HB -0.16 0.03 0.21 -0.04 1.89 1.93 2dzdA1 ILE 365 HG12 -0.02 -0.02 -0.18 -0.04 1.49 1.22 2dzdA1 ILE 365 HG13 -0.12 0.04 -0.08 -0.04 1.21 1.00 2dzdA1 ILE 365 HG23 0.11 -0.05 -0.35 -0.04 0.93 0.60 2dzdA1 ILE 365 HD13 -0.14 -0.00 -0.04 -0.04 0.88 0.66 2dzdA1 MET 366 H 0.01 0.68 0.60 -0.55 8.47 9.20 2dzdA1 MET 366 HA 0.01 0.05 0.41 -0.75 4.52 4.24 2dzdA1 MET 366 HB2 0.01 0.04 0.06 -0.04 2.15 2.21 2dzdA1 MET 366 HB3 0.01 -0.04 -0.01 -0.04 2.03 1.95 2dzdA1 MET 366 HG2 -0.01 0.09 0.10 -0.04 2.63 2.78 2dzdA1 MET 366 HG3 -0.00 -0.05 0.01 -0.04 2.56 2.48 2dzdA1 MET 366 HE3 0.01 -0.01 0.03 -0.04 2.10 2.09 2dzdA1 ALA 367 H 0.04 0.33 0.29 -0.55 8.40 8.51 2dzdA1 ALA 367 HA 0.06 0.18 0.80 -0.75 4.34 4.62 2dzdA1 ALA 367 HB3 0.03 0.01 -0.02 -0.04 1.41 1.38 2dzdA1 TYR 368 H 0.14 0.25 0.09 -0.55 8.29 8.22 2dzdA1 TYR 368 HA 0.04 0.34 0.90 -0.75 4.56 5.09 2dzdA1 TYR 368 HB2 -0.00 -0.00 -0.46 -0.04 3.06 2.56 2dzdA1 TYR 368 HB3 0.04 -0.12 -0.07 -0.04 2.98 2.79 2dzdA1 TYR 368 HD2 0.03 -0.02 -0.30 -0.04 7.15 6.82 2dzdA1 TYR 368 HE2 0.05 -0.06 -0.17 -0.04 6.85 6.64 2dzdA1 ARG 369 H -0.27 0.53 0.27 -0.55 8.46 8.44 2dzdA1 ARG 369 HA 0.05 0.10 0.72 -0.75 4.34 4.46 2dzdA1 ARG 369 HB2 -0.05 0.00 0.04 -0.04 1.90 1.85 2dzdA1 ARG 369 HB3 -0.03 0.08 0.07 -0.04 1.80 1.89 2dzdA1 ARG 369 HG2 0.04 0.11 -0.01 -0.04 1.67 1.78 2dzdA1 ARG 369 HG3 0.02 -0.17 -0.58 -0.04 1.67 0.91 2dzdA1 ARG 369 HD2 0.01 -0.03 -0.06 -0.04 3.22 3.10 2dzdA1 ARG 369 HD3 -0.01 0.00 -0.07 -0.04 3.22 3.11 2dzdA1 SER 370 H -0.03 0.22 0.15 -0.55 8.46 8.25 2dzdA1 SER 370 HA -0.48 0.18 0.83 -0.75 4.49 4.27 2dzdA1 SER 370 HB2 -0.26 -0.03 -0.12 -0.04 3.95 3.49 2dzdA1 SER 370 HB3 0.04 -0.01 -0.11 -0.04 3.93 3.82 2dzdA1 GLY 371 H -0.68 0.11 -0.01 -0.55 8.43 7.30 2dzdA1 GLY 371 HA2 -0.15 0.15 0.59 -0.51 4.01 4.09 2dzdA1 GLY 371 HA3 -0.22 -0.02 0.39 -0.51 4.01 3.65 2dzdA1 GLY 372 H -0.11 0.04 0.06 -0.55 8.43 7.87 2dzdA1 GLY 372 HA2 -0.01 -0.02 0.23 -0.51 4.01 3.69 2dzdA1 GLY 372 HA3 -0.02 0.18 0.62 -0.51 4.01 4.28 2dzdA1 GLY 373 H 0.03 0.19 0.15 -0.55 8.43 8.25 2dzdA1 GLY 373 HA2 0.06 0.02 0.30 -0.51 4.01 3.88 2dzdA1 GLY 373 HA3 0.06 0.23 0.86 -0.51 4.01 4.65 2dzdA1 PHE 374 H 0.23 0.13 0.15 -0.55 8.34 8.30 2dzdA1 PHE 374 HA 0.04 0.04 0.46 -0.75 4.62 4.40 2dzdA1 PHE 374 HB2 0.04 0.02 0.14 -0.04 3.15 3.31 2dzdA1 PHE 374 HB3 0.06 0.00 0.16 -0.04 3.06 3.23 2dzdA1 PHE 374 HD2 0.07 -0.01 -0.02 -0.04 7.28 7.28 2dzdA1 PHE 374 HE2 0.14 -0.01 -0.02 -0.04 7.38 7.45 2dzdA1 PHE 374 HZ 0.25 0.01 -0.03 -0.04 7.32 7.51 2dzdA1 GLY 375 H -0.50 0.14 0.21 -0.55 8.43 7.73 2dzdA1 GLY 375 HA2 -0.35 0.00 0.38 -0.51 4.01 3.54 2dzdA1 GLY 375 HA3 -0.34 0.19 0.53 -0.51 4.01 3.88 2dzdA1 VAL 376 H -0.04 0.43 -0.54 -0.55 8.24 7.54 2dzdA1 VAL 376 HA 0.02 0.25 1.10 -0.75 4.13 4.75 2dzdA1 VAL 376 HB 0.02 0.07 -0.04 -0.04 2.12 2.13 2dzdA1 VAL 376 HG13 0.02 -0.06 -0.22 -0.04 0.97 0.67 2dzdA1 VAL 376 HG23 0.03 0.06 -0.30 -0.04 0.95 0.69 2dzdA1 ARG 377 H 0.04 0.55 0.30 -0.55 8.46 8.79 2dzdA1 ARG 377 HA 0.03 0.16 0.99 -0.75 4.34 4.76 2dzdA1 ARG 377 HB2 -0.00 0.05 -0.11 -0.04 1.90 1.81 2dzdA1 ARG 377 HB3 0.02 0.06 0.14 -0.04 1.80 1.98 2dzdA1 ARG 377 HG2 -0.00 -0.05 -0.10 -0.04 1.67 1.48 2dzdA1 ARG 377 HG3 0.03 -0.06 -0.43 -0.04 1.67 1.17 2dzdA1 ARG 377 HD2 0.03 -0.03 -0.14 -0.04 3.22 3.04 2dzdA1 ARG 377 HD3 0.03 -0.02 -0.02 -0.04 3.22 3.17 2dzdA1 LEU 378 H 0.06 0.24 0.10 -0.55 8.37 8.22 2dzdA1 LEU 378 HA 0.11 0.22 0.88 -0.75 4.35 4.81 2dzdA1 LEU 378 HB2 0.09 0.03 0.18 -0.04 1.64 1.89 2dzdA1 LEU 378 HB3 0.13 -0.00 -0.02 -0.04 1.64 1.71 2dzdA1 LEU 378 HG 0.06 -0.04 -0.28 -0.04 1.64 1.34 2dzdA1 LEU 378 HD13 0.05 0.01 -0.13 -0.04 0.93 0.83 2dzdA1 LEU 378 HD23 0.13 0.02 -0.18 -0.04 0.89 0.82 2dzdA1 ASP 379 H 0.08 0.61 0.18 -0.55 8.40 8.73 2dzdA1 ASP 379 HA 0.09 0.17 0.87 -0.75 4.63 5.00 2dzdA1 ASP 379 HB2 0.07 0.02 0.23 -0.04 2.71 2.99 2dzdA1 ASP 379 HB3 0.08 -0.05 0.04 -0.04 2.70 2.73 2dzdA1 ALA 380 H 0.15 0.27 0.08 -0.55 8.40 8.36 2dzdA1 ALA 380 HA 0.12 0.01 0.57 -0.75 4.34 4.29 2dzdA1 ALA 380 HB3 0.13 0.03 0.01 -0.04 1.41 1.54 2dzdA1 GLY 381 H 0.09 0.34 -0.04 -0.55 8.43 8.27 2dzdA1 GLY 381 HA2 0.11 -0.07 0.88 -0.51 4.01 4.42 2dzdA1 GLY 381 HA3 0.08 0.15 0.42 -0.51 4.01 4.15 2dzdA1 ASN 382 H 0.05 0.52 0.23 -0.55 8.53 8.78 2dzdA1 ASN 382 HA 0.19 0.19 0.77 -0.75 4.76 5.15 2dzdA1 ASN 382 HB2 0.03 -0.02 0.06 -0.04 2.88 2.91 2dzdA1 ASN 382 HB3 -0.07 0.05 0.18 -0.04 2.79 2.91 2dzdA1 ASN 382 HD21 0.17 -0.08 0.01 -0.04 7.03 7.09 2dzdA1 ASN 382 HD22 0.11 -0.02 -0.03 -0.04 7.74 7.75 2dzdA1 GLY 383 H -0.02 0.32 0.01 -0.55 8.43 8.19 2dzdA1 GLY 383 HA2 -0.33 0.12 0.73 -0.51 4.01 4.02 2dzdA1 GLY 383 HA3 -0.16 0.01 0.33 -0.51 4.01 3.69 2dzdA1 PHE 384 H -0.73 0.40 -0.06 -0.55 8.34 7.39 2dzdA1 PHE 384 HA -0.83 0.14 0.43 -0.75 4.62 3.60 2dzdA1 PHE 384 HB2 -0.30 0.04 0.06 -0.04 3.15 2.91 2dzdA1 PHE 384 HB3 -0.47 0.03 -0.22 -0.04 3.06 2.35 2dzdA1 PHE 384 HD2 -0.26 0.15 -0.35 -0.04 7.28 6.78 2dzdA1 PHE 384 HE2 -0.05 -0.02 -0.12 -0.04 7.38 7.14 2dzdA1 PHE 384 HZ -0.04 0.12 -0.03 -0.04 7.32 7.32 2dzdA1 GLN 385 H 0.11 0.17 0.09 -0.55 8.47 8.29 2dzdA1 GLN 385 HA 0.05 0.05 0.25 -0.75 4.36 3.95 2dzdA1 GLN 385 HB2 0.15 0.00 0.16 -0.04 2.15 2.43 2dzdA1 GLN 385 HB3 0.11 -0.00 0.17 -0.04 2.02 2.25 2dzdA1 GLN 385 HG2 0.06 0.02 -0.12 -0.04 2.40 2.32 2dzdA1 GLN 385 HG3 0.07 0.14 -0.07 -0.04 2.39 2.49 2dzdA1 GLN 385 HE21 0.04 -0.02 0.04 -0.04 6.97 6.99 2dzdA1 GLN 385 HE22 0.04 0.00 0.01 -0.04 7.69 7.71 2dzdA1 GLY 386 H -0.03 0.85 0.34 -0.55 8.43 9.04 2dzdA1 GLY 386 HA2 -0.00 0.02 0.37 -0.51 4.01 3.88 2dzdA1 GLY 386 HA3 0.07 0.09 0.61 -0.51 4.01 4.27 2dzdA1 ALA 387 H -0.50 0.34 -0.24 -0.55 8.40 7.45 2dzdA1 ALA 387 HA -0.42 0.07 0.42 -0.75 4.34 3.66 2dzdA1 ALA 387 HB3 -1.40 -0.04 0.08 -0.04 1.41 0.02 2dzdA1 VAL 388 H -0.10 0.16 0.16 -0.55 8.24 7.91 2dzdA1 VAL 388 HA -0.07 0.31 0.98 -0.75 4.13 4.60 2dzdA1 VAL 388 HB 0.02 -0.05 0.18 -0.04 2.12 2.23 2dzdA1 VAL 388 HG13 0.01 -0.03 -0.19 -0.04 0.97 0.72 2dzdA1 VAL 388 HG23 -0.00 0.03 -0.09 -0.04 0.95 0.84 2dzdA1 ILE 389 H -0.06 0.94 0.27 -0.55 8.25 8.85 2dzdA1 ILE 389 HA -0.00 -0.01 0.71 -0.75 4.18 4.13 2dzdA1 ILE 389 HB -0.04 -0.01 0.10 -0.04 1.89 1.90 2dzdA1 ILE 389 HG12 -0.11 0.07 -0.12 -0.04 1.49 1.29 2dzdA1 ILE 389 HG13 -0.06 -0.01 -0.14 -0.04 1.21 0.96 2dzdA1 ILE 389 HG23 -0.01 0.01 -0.09 -0.04 0.93 0.80 2dzdA1 ILE 389 HD13 -0.08 0.05 -0.15 -0.04 0.88 0.65 2dzdA1 THR 390 H 0.05 0.05 0.23 -0.55 8.28 8.06 2dzdA1 THR 390 HA -0.12 0.21 0.69 -0.75 4.39 4.41 2dzdA1 THR 390 HB -0.37 0.06 0.19 -0.04 4.32 4.16 2dzdA1 THR 390 HG23 0.12 0.05 0.05 -0.04 1.22 1.40 2dzdA1 PRO 391 HA -0.12 0.23 0.60 -0.51 4.44 4.64 2dzdA1 PRO 391 HB2 -0.16 0.05 0.06 -0.04 2.28 2.19 2dzdA1 PRO 391 HB3 -0.15 0.10 0.08 -0.04 2.02 2.01 2dzdA1 PRO 391 HG2 -0.82 0.00 0.02 -0.04 2.03 1.20 2dzdA1 PRO 391 HG3 -0.30 0.07 0.07 -0.04 2.03 1.83 2dzdA1 PRO 391 HD2 -0.75 0.04 0.25 -0.04 3.68 3.18 2dzdA1 PRO 391 HD3 -0.27 0.19 0.19 -0.04 3.65 3.72 2dzdA1 TYR 392 H -0.34 -0.00 -0.26 -0.55 8.29 7.14 2dzdA1 TYR 392 HA -0.19 0.16 0.24 -0.75 4.56 4.02 2dzdA1 TYR 392 HB2 -0.65 -0.04 0.04 -0.04 3.06 2.36 2dzdA1 TYR 392 HB3 -0.68 -0.06 0.03 -0.04 2.98 2.23 2dzdA1 TYR 392 HD2 -0.06 0.03 0.01 -0.04 7.15 7.10 2dzdA1 TYR 392 HE2 -0.00 0.05 0.03 -0.04 6.85 6.89 2dzdA1 TYR 393 H 0.06 0.03 -0.28 -0.55 8.29 7.55 2dzdA1 TYR 393 HA 0.12 0.34 0.86 -0.75 4.56 5.13 2dzdA1 TYR 393 HB2 0.11 -0.05 0.11 -0.04 3.06 3.18 2dzdA1 TYR 393 HB3 0.11 -0.10 0.16 -0.04 2.98 3.11 2dzdA1 TYR 393 HD2 0.20 0.05 -0.07 -0.04 7.15 7.29 2dzdA1 TYR 393 HE2 0.27 0.05 -0.19 -0.04 6.85 6.94 2dzdA1 ASP 394 H 0.25 0.05 0.12 -0.55 8.40 8.27 2dzdA1 ASP 394 HA 0.08 0.32 0.64 -0.75 4.63 4.91 2dzdA1 ASP 394 HB2 0.08 0.06 0.12 -0.04 2.71 2.92 2dzdA1 ASP 394 HB3 0.10 0.07 0.05 -0.04 2.70 2.88 2dzdA1 SER 395 H 0.13 -0.02 -0.27 -0.55 8.46 7.75 2dzdA1 SER 395 HA 0.06 0.02 0.23 -0.75 4.49 4.04 2dzdA1 SER 395 HB2 0.01 0.04 0.11 -0.04 3.95 4.07 2dzdA1 SER 395 HB3 0.03 0.13 -0.14 -0.04 3.93 3.91 2dzdA1 LEU 396 H 0.07 -0.05 -0.32 -0.55 8.37 7.51 2dzdA1 LEU 396 HA 0.03 0.23 0.77 -0.75 4.35 4.62 2dzdA1 LEU 396 HB2 0.06 0.16 -0.07 -0.04 1.64 1.75 2dzdA1 LEU 396 HB3 0.07 -0.17 0.07 -0.04 1.64 1.56 2dzdA1 LEU 396 HG 0.06 -0.13 -0.45 -0.04 1.64 1.08 2dzdA1 LEU 396 HD13 0.03 0.11 -0.17 -0.04 0.93 0.86 2dzdA1 LEU 396 HD23 0.08 -0.02 -0.09 -0.04 0.89 0.82 2dzdA1 LEU 397 H 0.01 0.49 0.32 -0.55 8.37 8.65 2dzdA1 LEU 397 HA -0.00 -0.04 0.36 -0.75 4.35 3.92 2dzdA1 LEU 397 HB2 -0.01 0.11 -0.04 -0.04 1.64 1.67 2dzdA1 LEU 397 HB3 0.08 0.03 -0.07 -0.04 1.64 1.64 2dzdA1 LEU 397 HG 0.09 -0.03 -0.08 -0.04 1.64 1.58 2dzdA1 LEU 397 HD13 -0.02 -0.00 -0.31 -0.04 0.93 0.56 2dzdA1 LEU 397 HD23 0.03 0.03 -0.21 -0.04 0.89 0.69 2dzdA1 VAL 398 H 0.02 0.51 0.21 -0.55 8.24 8.43 2dzdA1 VAL 398 HA 0.09 -0.05 0.62 -0.75 4.13 4.04 2dzdA1 VAL 398 HB 0.19 0.12 -0.17 -0.04 2.12 2.22 2dzdA1 VAL 398 HG13 0.08 -0.02 -0.15 -0.04 0.97 0.84 2dzdA1 VAL 398 HG23 0.17 0.03 -0.35 -0.04 0.95 0.76 2dzdA1 LYS 399 H 0.09 0.90 0.32 -0.55 8.42 9.18 2dzdA1 LYS 399 HA 0.04 0.14 1.11 -0.75 4.32 4.86 2dzdA1 LYS 399 HB2 0.06 -0.07 0.06 -0.04 1.87 1.88 2dzdA1 LYS 399 HB3 0.07 0.01 0.21 -0.04 1.79 2.03 2dzdA1 LYS 399 HG2 0.03 -0.01 -0.28 -0.04 1.46 1.17 2dzdA1 LYS 399 HG3 0.03 0.08 -0.03 -0.04 1.46 1.50 2dzdA1 LYS 399 HD2 0.01 0.02 -0.12 -0.04 1.69 1.56 2dzdA1 LYS 399 HD3 0.06 -0.08 -0.05 -0.04 1.68 1.57 2dzdA1 LYS 399 HE2 0.05 -0.04 -0.02 -0.04 2.99 2.94 2dzdA1 LYS 399 HE3 -0.03 -0.04 -0.02 -0.04 2.99 2.86 2dzdA1 LEU 400 H 0.05 0.74 0.41 -0.55 8.37 9.03 2dzdA1 LEU 400 HA 0.10 0.28 0.87 -0.75 4.35 4.85 2dzdA1 LEU 400 HB2 0.17 -0.03 -0.11 -0.04 1.64 1.63 2dzdA1 LEU 400 HB3 0.08 -0.05 0.15 -0.04 1.64 1.78 2dzdA1 LEU 400 HG 0.09 0.00 -0.30 -0.04 1.64 1.39 2dzdA1 LEU 400 HD13 0.14 0.02 -0.10 -0.04 0.93 0.95 2dzdA1 LEU 400 HD23 0.21 0.00 -0.13 -0.04 0.89 0.93 2dzdA1 SER 401 H 0.06 0.50 0.38 -0.55 8.46 8.86 2dzdA1 SER 401 HA 0.06 0.42 1.28 -0.75 4.49 5.50 2dzdA1 SER 401 HB2 0.03 -0.03 0.11 -0.04 3.95 4.01 2dzdA1 SER 401 HB3 0.04 0.01 -0.09 -0.04 3.93 3.85 2dzdA1 THR 402 H 0.08 0.65 0.44 -0.55 8.28 8.90 2dzdA1 THR 402 HA 0.08 0.44 1.35 -0.75 4.39 5.50 2dzdA1 THR 402 HB 0.04 0.07 -0.07 -0.04 4.32 4.31 2dzdA1 THR 402 HG23 0.05 -0.02 -0.31 -0.04 1.22 0.89 2dzdA1 TRP 403 H 0.19 0.74 0.44 -0.55 7.97 8.79 2dzdA1 TRP 403 HA 0.02 0.33 1.19 -0.75 4.62 5.41 2dzdA1 TRP 403 HB2 -0.05 -0.09 0.01 -0.04 3.23 3.07 2dzdA1 TRP 403 HB3 -0.15 -0.07 0.18 -0.04 3.23 3.15 2dzdA1 TRP 403 HD1 -0.01 -0.11 -0.31 -0.04 7.22 6.75 2dzdA1 TRP 403 HE1 -0.01 0.82 0.13 -0.04 10.20 11.10 2dzdA1 TRP 403 HE3 -0.25 -0.03 -0.29 -0.04 7.59 6.97 2dzdA1 TRP 403 HZ2 0.04 0.03 -0.22 -0.04 7.44 7.25 2dzdA1 TRP 403 HZ3 0.29 -0.05 -0.07 -0.04 7.13 7.26 2dzdA1 TRP 403 HH2 0.13 -0.04 -0.07 -0.04 7.19 7.17 2dzdA1 ALA 404 H -0.90 0.68 0.39 -0.55 8.40 8.03 2dzdA1 ALA 404 HA -0.79 0.11 0.40 -0.75 4.34 3.30 2dzdA1 ALA 404 HB3 -0.22 0.01 -0.13 -0.04 1.41 1.03 2dzdA1 LEU 405 H -0.49 0.16 0.14 -0.55 8.37 7.63 2dzdA1 LEU 405 HA -0.41 0.12 0.39 -0.75 4.35 3.70 2dzdA1 LEU 405 HB2 -0.04 0.05 0.14 -0.04 1.64 1.76 2dzdA1 LEU 405 HB3 -0.08 -0.06 0.12 -0.04 1.64 1.57 2dzdA1 LEU 405 HG 0.01 -0.01 -0.07 -0.04 1.64 1.52 2dzdA1 LEU 405 HD13 0.12 0.02 0.04 -0.04 0.93 1.07 2dzdA1 LEU 405 HD23 0.03 0.00 -0.00 -0.04 0.89 0.88 2dzdA1 THR 406 H -0.18 0.05 -0.07 -0.55 8.28 7.52 2dzdA1 THR 406 HA -0.01 0.31 1.00 -0.75 4.39 4.94 2dzdA1 THR 406 HB -0.11 0.01 0.09 -0.04 4.32 4.27 2dzdA1 THR 406 HG23 -0.04 0.04 -0.06 -0.04 1.22 1.12 2dzdA1 PHE 407 H -0.60 0.25 0.12 -0.55 8.34 7.56 2dzdA1 PHE 407 HA -0.42 0.10 0.30 -0.75 4.62 3.84 2dzdA1 PHE 407 HB2 -1.44 0.09 0.10 -0.04 3.15 1.85 2dzdA1 PHE 407 HB3 -0.57 -0.01 0.10 -0.04 3.06 2.54 2dzdA1 PHE 407 HD2 -0.21 0.03 -0.08 -0.04 7.28 6.98 2dzdA1 PHE 407 HE2 -0.24 0.06 -0.08 -0.04 7.38 7.09 2dzdA1 PHE 407 HZ -1.43 0.02 -0.12 -0.04 7.32 5.74 2dzdA1 GLU 408 H -0.19 0.10 -0.15 -0.55 8.60 7.81 2dzdA1 GLU 408 HA -0.35 0.15 0.42 -0.75 4.29 3.75 2dzdA1 GLU 408 HB2 -0.11 0.10 0.09 -0.04 2.09 2.12 2dzdA1 GLU 408 HB3 -0.13 -0.10 0.06 -0.04 1.99 1.78 2dzdA1 GLU 408 HG2 -0.08 0.02 -0.03 -0.04 2.34 2.21 2dzdA1 GLU 408 HG3 -0.11 -0.02 -0.26 -0.04 2.34 1.92 2dzdA1 GLN 409 H -0.18 0.04 -0.29 -0.55 8.47 7.49 2dzdA1 GLN 409 HA -0.12 0.05 0.37 -0.75 4.36 3.92 2dzdA1 GLN 409 HB2 -0.17 0.04 0.13 -0.04 2.15 2.11 2dzdA1 GLN 409 HB3 -0.12 0.04 -0.03 -0.04 2.02 1.87 2dzdA1 GLN 409 HG2 -0.06 0.07 0.03 -0.04 2.40 2.40 2dzdA1 GLN 409 HG3 -0.09 -0.03 0.03 -0.04 2.39 2.26 2dzdA1 GLN 409 HE21 -0.04 0.03 0.07 -0.04 6.97 6.99 2dzdA1 GLN 409 HE22 -0.05 0.07 0.06 -0.04 7.69 7.72 2dzdA1 ALA 410 H -0.24 0.54 -0.14 -0.55 8.40 8.01 2dzdA1 ALA 410 HA -0.12 0.05 0.21 -0.75 4.34 3.72 2dzdA1 ALA 410 HB3 -0.12 0.05 -0.05 -0.04 1.41 1.24 2dzdA1 ALA 411 H -0.40 0.48 -0.36 -0.55 8.40 7.58 2dzdA1 ALA 411 HA -0.08 0.01 0.45 -0.75 4.34 3.96 2dzdA1 ALA 411 HB3 -0.40 0.06 0.08 -0.04 1.41 1.10 2dzdA1 ARG 412 H -0.14 0.54 0.03 -0.55 8.46 8.34 2dzdA1 ARG 412 HA -0.04 0.03 0.44 -0.75 4.34 4.01 2dzdA1 ARG 412 HB2 -0.06 0.09 0.09 -0.04 1.90 1.98 2dzdA1 ARG 412 HB3 -0.04 -0.04 0.02 -0.04 1.80 1.70 2dzdA1 ARG 412 HG2 -0.10 0.21 0.01 -0.04 1.67 1.75 2dzdA1 ARG 412 HG3 -0.06 -0.05 -0.02 -0.04 1.67 1.50 2dzdA1 ARG 412 HD2 -0.07 -0.00 -0.04 -0.04 3.22 3.07 2dzdA1 ARG 412 HD3 -0.06 -0.02 -0.02 -0.04 3.22 3.08 2dzdA1 LYS 413 H -0.06 0.47 -0.40 -0.55 8.42 7.87 2dzdA1 LYS 413 HA -0.00 0.01 0.28 -0.75 4.32 3.85 2dzdA1 LYS 413 HB2 -0.01 0.04 0.01 -0.04 1.87 1.87 2dzdA1 LYS 413 HB3 -0.02 0.12 0.02 -0.04 1.79 1.87 2dzdA1 LYS 413 HG2 0.02 -0.07 -0.26 -0.04 1.46 1.11 2dzdA1 LYS 413 HG3 0.03 -0.05 -0.06 -0.04 1.46 1.33 2dzdA1 LYS 413 HD2 0.03 0.04 -0.12 -0.04 1.69 1.60 2dzdA1 LYS 413 HD3 0.04 0.02 -0.19 -0.04 1.68 1.51 2dzdA1 LYS 413 HE2 0.09 -0.07 -0.04 -0.04 2.99 2.94 2dzdA1 LYS 413 HE3 0.05 -0.08 -0.05 -0.04 2.99 2.87 2dzdA1 MET 414 H -0.01 0.49 -0.19 -0.55 8.47 8.21 2dzdA1 MET 414 HA 0.03 -0.01 0.39 -0.75 4.52 4.17 2dzdA1 MET 414 HB2 0.04 0.04 0.08 -0.04 2.15 2.27 2dzdA1 MET 414 HB3 0.02 0.15 0.16 -0.04 2.03 2.32 2dzdA1 MET 414 HG2 -0.00 -0.00 -0.11 -0.04 2.63 2.48 2dzdA1 MET 414 HG3 0.01 -0.01 -0.39 -0.04 2.56 2.13 2dzdA1 MET 414 HE3 0.05 -0.02 -0.21 -0.04 2.10 1.88 2dzdA1 LEU 415 H -0.00 0.66 -0.09 -0.55 8.37 8.40 2dzdA1 LEU 415 HA 0.01 -0.02 0.31 -0.75 4.35 3.90 2dzdA1 LEU 415 HB2 0.00 0.11 0.05 -0.04 1.64 1.76 2dzdA1 LEU 415 HB3 -0.01 0.07 0.09 -0.04 1.64 1.75 2dzdA1 LEU 415 HG 0.00 -0.03 -0.14 -0.04 1.64 1.43 2dzdA1 LEU 415 HD13 -0.00 -0.02 -0.01 -0.04 0.93 0.86 2dzdA1 LEU 415 HD23 -0.00 0.01 -0.05 -0.04 0.89 0.80 2dzdA1 ARG 416 H -0.00 0.59 -0.31 -0.55 8.46 8.18 2dzdA1 ARG 416 HA -0.01 0.02 0.32 -0.75 4.34 3.92 2dzdA1 ARG 416 HB2 -0.01 0.08 0.10 -0.04 1.90 2.02 2dzdA1 ARG 416 HB3 -0.01 0.08 0.09 -0.04 1.80 1.93 2dzdA1 ARG 416 HG2 -0.02 -0.02 -0.11 -0.04 1.67 1.48 2dzdA1 ARG 416 HG3 -0.01 -0.04 0.05 -0.04 1.67 1.62 2dzdA1 ARG 416 HD2 -0.01 -0.02 -0.04 -0.04 3.22 3.12 2dzdA1 ARG 416 HD3 -0.01 -0.03 -0.02 -0.04 3.22 3.12 2dzdA1 ASN 417 H 0.00 0.48 -0.26 -0.55 8.53 8.21 2dzdA1 ASN 417 HA -0.10 0.03 0.57 -0.75 4.76 4.50 2dzdA1 ASN 417 HB2 0.01 0.24 0.14 -0.04 2.88 3.24 2dzdA1 ASN 417 HB3 -0.03 -0.12 -0.03 -0.04 2.79 2.57 2dzdA1 ASN 417 HD21 -0.00 0.01 -0.08 -0.04 7.03 6.92 2dzdA1 ASN 417 HD22 0.00 0.46 0.06 -0.04 7.74 8.22 2dzdA1 LEU 418 H 0.08 0.67 -0.08 -0.55 8.37 8.49 2dzdA1 LEU 418 HA 0.46 -0.04 0.57 -0.75 4.35 4.59 2dzdA1 LEU 418 HB2 0.06 0.16 0.09 -0.04 1.64 1.91 2dzdA1 LEU 418 HB3 0.08 -0.06 -0.04 -0.04 1.64 1.58 2dzdA1 LEU 418 HG 0.09 0.09 -0.06 -0.04 1.64 1.72 2dzdA1 LEU 418 HD13 -0.01 -0.02 -0.26 -0.04 0.93 0.60 2dzdA1 LEU 418 HD23 0.04 -0.04 -0.03 -0.04 0.89 0.81 2dzdA1 ARG 419 H 0.05 0.44 -0.30 -0.55 8.46 8.09 2dzdA1 ARG 419 HA 0.05 0.02 0.42 -0.75 4.34 4.08 2dzdA1 ARG 419 HB2 0.01 0.14 0.18 -0.04 1.90 2.18 2dzdA1 ARG 419 HB3 0.00 -0.04 -0.03 -0.04 1.80 1.69 2dzdA1 ARG 419 HG2 0.02 -0.06 0.01 -0.04 1.67 1.60 2dzdA1 ARG 419 HG3 0.02 -0.01 0.01 -0.04 1.67 1.66 2dzdA1 ARG 419 HD2 0.00 0.02 -0.12 -0.04 3.22 3.08 2dzdA1 ARG 419 HD3 0.00 -0.04 -0.03 -0.04 3.22 3.11 2dzdA1 GLU 420 H -0.06 0.25 -0.18 -0.55 8.60 8.07 2dzdA1 GLU 420 HA -0.06 0.04 0.27 -0.75 4.29 3.78 2dzdA1 GLU 420 HB2 -0.11 0.09 0.12 -0.04 2.09 2.15 2dzdA1 GLU 420 HB3 -0.27 -0.09 0.08 -0.04 1.99 1.67 2dzdA1 GLU 420 HG2 -0.14 -0.07 -0.03 -0.04 2.34 2.05 2dzdA1 GLU 420 HG3 -0.16 -0.00 -0.19 -0.04 2.34 1.95 2dzdA1 PHE 421 H 0.07 0.22 -0.76 -0.55 8.34 7.33 2dzdA1 PHE 421 HA -0.13 0.09 0.47 -0.75 4.62 4.30 2dzdA1 PHE 421 HB2 -0.07 0.21 0.10 -0.04 3.15 3.35 2dzdA1 PHE 421 HB3 -0.14 -0.11 -0.08 -0.04 3.06 2.69 2dzdA1 PHE 421 HD2 -0.17 0.14 0.11 -0.04 7.28 7.32 2dzdA1 PHE 421 HE2 0.00 -0.04 -0.12 -0.04 7.38 7.18 2dzdA1 PHE 421 HZ 0.03 -0.06 -0.11 -0.04 7.32 7.14 2dzdA1 ARG 422 H -0.05 0.58 0.28 -0.55 8.46 8.72 2dzdA1 ARG 422 HA -0.01 0.16 0.83 -0.75 4.34 4.57 2dzdA1 ARG 422 HB2 -0.04 -0.11 0.14 -0.04 1.90 1.84 2dzdA1 ARG 422 HB3 -0.02 -0.04 -0.04 -0.04 1.80 1.66 2dzdA1 ARG 422 HG2 -0.04 0.21 -0.23 -0.04 1.67 1.57 2dzdA1 ARG 422 HG3 -0.03 -0.07 -0.07 -0.04 1.67 1.46 2dzdA1 ARG 422 HD2 -0.01 -0.10 -0.01 -0.04 3.22 3.06 2dzdA1 ARG 422 HD3 -0.01 0.34 -0.16 -0.04 3.22 3.36 2dzdA1 ILE 423 H -0.03 0.24 0.09 -0.55 8.25 8.00 2dzdA1 ILE 423 HA -0.03 0.33 1.09 -0.75 4.18 4.82 2dzdA1 ILE 423 HB -0.03 0.00 0.03 -0.04 1.89 1.85 2dzdA1 ILE 423 HG12 -0.09 -0.00 -0.24 -0.04 1.49 1.12 2dzdA1 ILE 423 HG13 -0.08 -0.03 -0.13 -0.04 1.21 0.92 2dzdA1 ILE 423 HG23 0.05 -0.02 -0.14 -0.04 0.93 0.77 2dzdA1 ILE 423 HD13 -0.31 0.08 -0.28 -0.04 0.88 0.33 2dzdA1 ARG 424 H 0.03 0.55 0.28 -0.55 8.46 8.78 2dzdA1 ARG 424 HA -0.00 0.17 0.90 -0.75 4.34 4.65 2dzdA1 ARG 424 HB2 0.00 0.10 -0.11 -0.04 1.90 1.85 2dzdA1 ARG 424 HB3 0.02 -0.17 0.21 -0.04 1.80 1.81 2dzdA1 ARG 424 HG2 0.00 0.03 -0.03 -0.04 1.67 1.63 2dzdA1 ARG 424 HG3 0.00 -0.02 -0.17 -0.04 1.67 1.43 2dzdA1 ARG 424 HD2 -0.00 0.01 0.01 -0.04 3.22 3.19 2dzdA1 ARG 424 HD3 -0.01 -0.06 0.09 -0.04 3.22 3.20 2dzdA1 GLY 425 H -0.01 0.22 0.13 -0.55 8.43 8.22 2dzdA1 GLY 425 HA2 -0.01 0.04 0.37 -0.51 4.01 3.90 2dzdA1 GLY 425 HA3 -0.01 0.16 1.10 -0.51 4.01 4.76 2dzdA1 ILE 426 H -0.01 0.19 0.00 -0.55 8.25 7.89 2dzdA1 ILE 426 HA -0.03 0.16 0.62 -0.75 4.18 4.18 2dzdA1 ILE 426 HB -0.03 0.06 -0.51 -0.04 1.89 1.37 2dzdA1 ILE 426 HG12 -0.03 0.23 -0.07 -0.04 1.49 1.58 2dzdA1 ILE 426 HG13 -0.03 -0.05 -0.01 -0.04 1.21 1.07 2dzdA1 ILE 426 HG23 -0.01 -0.01 -0.33 -0.04 0.93 0.54 2dzdA1 ILE 426 HD13 -0.03 0.04 -0.46 -0.04 0.88 0.38 2dzdA1 LYS 427 H -0.04 0.13 0.10 -0.55 8.42 8.06 2dzdA1 LYS 427 HA -0.06 0.11 0.66 -0.75 4.32 4.28 2dzdA1 LYS 427 HB2 -0.06 0.01 0.09 -0.04 1.87 1.87 2dzdA1 LYS 427 HB3 -0.09 0.03 -0.08 -0.04 1.79 1.62 2dzdA1 LYS 427 HG2 -0.06 -0.01 -0.04 -0.04 1.46 1.30 2dzdA1 LYS 427 HG3 -0.07 0.03 0.01 -0.04 1.46 1.38 2dzdA1 LYS 427 HD2 -0.13 -0.05 0.03 -0.04 1.69 1.50 2dzdA1 LYS 427 HD3 -0.09 0.01 0.08 -0.04 1.68 1.64 2dzdA1 LYS 427 HE2 -0.07 0.02 -0.00 -0.04 2.99 2.90 2dzdA1 LYS 427 HE3 -0.08 0.02 -0.01 -0.04 2.99 2.88 2dzdA1 THR 428 H -0.08 0.18 0.19 -0.55 8.28 8.02 2dzdA1 THR 428 HA -0.05 0.22 0.64 -0.75 4.39 4.45 2dzdA1 THR 428 HB -0.08 -0.08 0.26 -0.04 4.32 4.38 2dzdA1 THR 428 HG23 -0.06 0.02 -0.25 -0.04 1.22 0.90 2dzdA1 ASN 429 H -0.02 0.24 0.26 -0.55 8.53 8.45 2dzdA1 ASN 429 HA -0.03 0.22 0.78 -0.75 4.76 4.98 2dzdA1 ASN 429 HB2 0.22 -0.03 0.24 -0.04 2.88 3.28 2dzdA1 ASN 429 HB3 0.11 0.08 0.16 -0.04 2.79 3.09 2dzdA1 ASN 429 HD21 0.03 0.58 0.32 -0.04 7.03 7.92 2dzdA1 ASN 429 HD22 0.11 0.03 0.12 -0.04 7.74 7.96 2dzdA1 ILE 430 H -0.06 0.11 -0.33 -0.55 8.25 7.42 2dzdA1 ILE 430 HA -0.02 0.01 0.42 -0.75 4.18 3.83 2dzdA1 ILE 430 HB -0.05 0.06 0.06 -0.04 1.89 1.91 2dzdA1 ILE 430 HG12 -0.17 -0.01 0.06 -0.04 1.49 1.33 2dzdA1 ILE 430 HG13 -0.14 -0.16 0.08 -0.04 1.21 0.95 2dzdA1 ILE 430 HG23 0.02 0.04 -0.13 -0.04 0.93 0.82 2dzdA1 ILE 430 HD13 -0.22 0.06 0.00 -0.04 0.88 0.68 2dzdA1 PRO 431 HA 0.06 0.12 0.45 -0.51 4.44 4.56 2dzdA1 PRO 431 HB2 -0.03 0.07 -0.03 -0.04 2.28 2.24 2dzdA1 PRO 431 HB3 -0.01 0.06 0.09 -0.04 2.02 2.11 2dzdA1 PRO 431 HG2 -0.39 0.02 0.05 -0.04 2.03 1.67 2dzdA1 PRO 431 HG3 -0.22 0.05 0.07 -0.04 2.03 1.89 2dzdA1 PRO 431 HD2 -0.09 0.09 -0.16 -0.04 3.68 3.48 2dzdA1 PRO 431 HD3 -0.07 0.12 0.06 -0.04 3.65 3.72 2dzdA1 PHE 432 H 0.16 0.21 -0.30 -0.55 8.34 7.85 2dzdA1 PHE 432 HA 0.25 0.22 0.66 -0.75 4.62 4.99 2dzdA1 PHE 432 HB2 0.14 -0.01 0.09 -0.04 3.15 3.33 2dzdA1 PHE 432 HB3 0.10 0.09 0.18 -0.04 3.06 3.40 2dzdA1 PHE 432 HD2 0.03 0.13 0.03 -0.04 7.28 7.43 2dzdA1 PHE 432 HE2 -0.63 0.01 -0.09 -0.04 7.38 6.63 2dzdA1 PHE 432 HZ -0.21 -0.05 -0.09 -0.04 7.32 6.93 2dzdA1 LEU 433 H 0.09 0.49 0.08 -0.55 8.37 8.48 2dzdA1 LEU 433 HA -0.26 -0.00 0.41 -0.75 4.35 3.75 2dzdA1 LEU 433 HB2 -0.02 0.10 0.11 -0.04 1.64 1.78 2dzdA1 LEU 433 HB3 -0.07 -0.03 -0.01 -0.04 1.64 1.49 2dzdA1 LEU 433 HG 0.04 0.17 -0.03 -0.04 1.64 1.79 2dzdA1 LEU 433 HD13 -0.03 -0.01 -0.16 -0.04 0.93 0.70 2dzdA1 LEU 433 HD23 -0.02 0.00 0.02 -0.04 0.89 0.85 2dzdA1 GLU 434 H -0.01 0.61 -0.30 -0.55 8.60 8.35 2dzdA1 GLU 434 HA -0.03 -0.01 0.36 -0.75 4.29 3.86 2dzdA1 GLU 434 HB2 0.02 0.05 0.05 -0.04 2.09 2.17 2dzdA1 GLU 434 HB3 0.04 0.11 0.13 -0.04 1.99 2.23 2dzdA1 GLU 434 HG2 0.02 0.02 -0.13 -0.04 2.34 2.21 2dzdA1 GLU 434 HG3 0.01 -0.05 -0.01 -0.04 2.34 2.25 2dzdA1 ASN 435 H -0.01 0.40 -0.21 -0.55 8.53 8.17 2dzdA1 ASN 435 HA -0.02 -0.00 0.34 -0.75 4.76 4.32 2dzdA1 ASN 435 HB2 -0.12 0.12 0.29 -0.04 2.88 3.14 2dzdA1 ASN 435 HB3 -0.13 -0.11 0.07 -0.04 2.79 2.57 2dzdA1 ASN 435 HD21 -0.36 0.15 0.00 -0.04 7.03 6.77 2dzdA1 ASN 435 HD22 -0.24 0.29 0.05 -0.04 7.74 7.80 2dzdA1 VAL 436 H -0.33 0.48 -0.26 -0.55 8.24 7.57 2dzdA1 VAL 436 HA -0.23 0.01 0.40 -0.75 4.13 3.55 2dzdA1 VAL 436 HB -0.44 0.07 0.14 -0.04 2.12 1.85 2dzdA1 VAL 436 HG13 -0.38 -0.04 -0.14 -0.04 0.97 0.37 2dzdA1 VAL 436 HG23 -0.94 0.05 -0.02 -0.04 0.95 -0.00 2dzdA1 VAL 437 H -0.22 0.54 -0.00 -0.55 8.24 8.01 2dzdA1 VAL 437 HA -0.46 0.03 0.42 -0.75 4.13 3.37 2dzdA1 VAL 437 HB -0.02 -0.03 0.10 -0.04 2.12 2.12 2dzdA1 VAL 437 HG13 -0.44 -0.01 -0.01 -0.04 0.97 0.47 2dzdA1 VAL 437 HG23 -0.06 0.07 -0.09 -0.04 0.95 0.83 2dzdA1 GLN 438 H 0.00 0.37 -0.46 -0.55 8.47 7.83 2dzdA1 GLN 438 HA 0.06 0.12 0.78 -0.75 4.36 4.56 2dzdA1 GLN 438 HB2 0.01 -0.09 0.08 -0.04 2.15 2.11 2dzdA1 GLN 438 HB3 0.01 0.03 0.03 -0.04 2.02 2.04 2dzdA1 GLN 438 HG2 0.01 0.18 0.06 -0.04 2.40 2.61 2dzdA1 GLN 438 HG3 0.01 -0.07 -0.29 -0.04 2.39 2.00 2dzdA1 GLN 438 HE21 0.00 -0.04 -0.06 -0.04 6.97 6.83 2dzdA1 GLN 438 HE22 -0.00 0.03 -0.04 -0.04 7.69 7.64 2dzdA1 HIS 439 H 0.21 0.31 -0.28 -0.55 8.41 8.10 2dzdA1 HIS 439 HA 0.06 0.13 0.39 -0.75 4.63 4.45 2dzdA1 HIS 439 HB2 0.11 0.34 0.21 -0.04 3.26 3.88 2dzdA1 HIS 439 HB3 0.28 -0.17 0.17 -0.04 3.20 3.44 2dzdA1 HIS 439 HD2 0.04 0.08 -0.03 -0.04 6.97 7.02 2dzdA1 HIS 439 HE1 0.09 0.03 0.02 -0.04 7.75 7.84 2dzdA1 PRO 440 HA 0.02 0.08 0.34 -0.51 4.44 4.37 2dzdA1 PRO 440 HB2 -0.01 -0.01 0.03 -0.04 2.28 2.25 2dzdA1 PRO 440 HB3 -0.02 0.04 0.07 -0.04 2.02 2.07 2dzdA1 PRO 440 HG2 -0.19 0.03 0.09 -0.04 2.03 1.92 2dzdA1 PRO 440 HG3 -0.10 0.09 0.11 -0.04 2.03 2.08 2dzdA1 PRO 440 HD2 -1.09 0.04 0.20 -0.04 3.68 2.79 2dzdA1 PRO 440 HD3 -0.28 0.27 0.27 -0.04 3.65 3.87 2dzdA1 LYS 441 H 0.71 0.09 -0.33 -0.55 8.42 8.33 2dzdA1 LYS 441 HA 0.02 0.10 0.35 -0.75 4.32 4.04 2dzdA1 LYS 441 HB2 0.11 0.00 0.07 -0.04 1.87 2.01 2dzdA1 LYS 441 HB3 -0.41 -0.03 0.04 -0.04 1.79 1.35 2dzdA1 LYS 441 HG2 -0.25 -0.03 -0.02 -0.04 1.46 1.12 2dzdA1 LYS 441 HG3 -0.51 -0.01 -0.17 -0.04 1.46 0.73 2dzdA1 LYS 441 HD2 -0.03 0.06 0.13 -0.04 1.69 1.82 2dzdA1 LYS 441 HD3 0.02 -0.03 0.03 -0.04 1.68 1.66 2dzdA1 LYS 441 HE2 0.02 -0.05 0.02 -0.04 2.99 2.95 2dzdA1 LYS 441 HE3 -0.01 -0.08 0.16 -0.04 2.99 3.02 2dzdA1 PHE 442 H 0.04 0.19 -0.11 -0.55 8.34 7.90 2dzdA1 PHE 442 HA -0.42 -0.01 0.41 -0.75 4.62 3.84 2dzdA1 PHE 442 HB2 -0.12 -0.05 0.08 -0.04 3.15 3.02 2dzdA1 PHE 442 HB3 0.03 0.19 0.15 -0.04 3.06 3.38 2dzdA1 PHE 442 HD2 -0.26 0.07 -0.05 -0.04 7.28 7.00 2dzdA1 PHE 442 HE2 0.06 -0.00 -0.06 -0.04 7.38 7.34 2dzdA1 PHE 442 HZ 0.23 -0.01 -0.09 -0.04 7.32 7.41 2dzdA1 LEU 443 H 0.18 0.59 -0.16 -0.55 8.37 8.43 2dzdA1 LEU 443 HA -0.06 -0.02 0.24 -0.75 4.35 3.76 2dzdA1 LEU 443 HB2 0.04 0.05 -0.07 -0.04 1.64 1.61 2dzdA1 LEU 443 HB3 -0.01 -0.08 -0.02 -0.04 1.64 1.49 2dzdA1 LEU 443 HG 0.12 0.11 -0.42 -0.04 1.64 1.41 2dzdA1 LEU 443 HD13 -0.01 -0.03 -0.09 -0.04 0.93 0.76 2dzdA1 LEU 443 HD23 0.04 -0.01 -0.02 -0.04 0.89 0.85 2dzdA1 SER 444 H 0.02 0.30 -0.85 -0.55 8.46 7.38 2dzdA1 SER 444 HA -0.01 0.00 0.40 -0.75 4.49 4.13 2dzdA1 SER 444 HB2 -0.02 -0.10 0.14 -0.04 3.95 3.93 2dzdA1 SER 444 HB3 0.01 0.16 0.17 -0.04 3.93 4.22 2dzdA1 GLY 445 H -0.03 0.72 -0.31 -0.55 8.43 8.26 2dzdA1 GLY 445 HA2 -0.49 -0.02 0.33 -0.51 4.01 3.32 2dzdA1 GLY 445 HA3 -0.31 0.06 0.55 -0.51 4.01 3.80 2dzdA1 GLU 446 H -0.08 0.17 -0.64 -0.55 8.60 7.50 2dzdA1 GLU 446 HA -0.30 0.08 0.93 -0.75 4.29 4.24 2dzdA1 GLU 446 HB2 -0.12 0.04 -0.08 -0.04 2.09 1.89 2dzdA1 GLU 446 HB3 -0.07 0.01 0.08 -0.04 1.99 1.98 2dzdA1 GLU 446 HG2 -0.06 -0.00 -0.02 -0.04 2.34 2.22 2dzdA1 GLU 446 HG3 -0.05 -0.03 -0.13 -0.04 2.34 2.09 2dzdA1 TYR 447 H -0.40 0.32 0.18 -0.55 8.29 7.84 2dzdA1 TYR 447 HA -0.07 0.07 0.55 -0.75 4.56 4.36 2dzdA1 TYR 447 HB2 -0.19 -0.05 0.01 -0.04 3.06 2.79 2dzdA1 TYR 447 HB3 -0.27 0.25 -0.29 -0.04 2.98 2.63 2dzdA1 TYR 447 HD2 -0.08 0.13 -0.40 -0.04 7.15 6.76 2dzdA1 TYR 447 HE2 -0.14 -0.04 -0.04 -0.04 6.85 6.59 2dzdA1 ASP 448 H 0.19 0.10 0.13 -0.55 8.40 8.27 2dzdA1 ASP 448 HA 0.16 0.15 0.86 -0.75 4.63 5.04 2dzdA1 ASP 448 HB2 0.10 0.31 -0.05 -0.04 2.71 3.04 2dzdA1 ASP 448 HB3 0.07 0.02 -0.09 -0.04 2.70 2.66 2dzdA1 THR 449 H 0.14 0.78 0.17 -0.55 8.28 8.82 2dzdA1 THR 449 HA 0.16 0.35 0.46 -0.75 4.39 4.60 2dzdA1 THR 449 HB 0.12 -0.03 0.13 -0.04 4.32 4.50 2dzdA1 THR 449 HG23 0.18 0.03 -0.03 -0.04 1.22 1.36 2dzdA1 SER 450 H 0.13 0.09 -0.36 -0.55 8.46 7.77 2dzdA1 SER 450 HA 0.06 0.16 0.68 -0.75 4.49 4.63 2dzdA1 SER 450 HB2 0.07 0.04 0.07 -0.04 3.95 4.09 2dzdA1 SER 450 HB3 0.08 -0.02 0.05 -0.04 3.93 3.99 2dzdA1 PHE 451 H 0.24 0.37 -0.29 -0.55 8.34 8.11 2dzdA1 PHE 451 HA 0.00 0.04 0.19 -0.75 4.62 4.10 2dzdA1 PHE 451 HB2 0.03 0.04 0.11 -0.04 3.15 3.29 2dzdA1 PHE 451 HB3 -0.04 -0.05 0.16 -0.04 3.06 3.09 2dzdA1 PHE 451 HD2 -0.18 -0.03 -0.04 -0.04 7.28 7.00 2dzdA1 PHE 451 HE2 -0.41 0.02 -0.03 -0.04 7.38 6.92 2dzdA1 PHE 451 HZ -0.19 0.11 0.07 -0.04 7.32 7.27 2dzdA1 ILE 452 H -0.16 0.14 0.03 -0.55 8.25 7.71 2dzdA1 ILE 452 HA -0.65 0.07 0.31 -0.75 4.18 3.16 2dzdA1 ILE 452 HB -0.13 0.40 0.23 -0.04 1.89 2.35 2dzdA1 ILE 452 HG12 -0.54 0.04 -0.03 -0.04 1.49 0.93 2dzdA1 ILE 452 HG13 -0.72 -0.10 0.01 -0.04 1.21 0.36 2dzdA1 ILE 452 HG23 0.12 -0.01 -0.19 -0.04 0.93 0.80 2dzdA1 ILE 452 HD13 -0.14 -0.03 -0.33 -0.04 0.88 0.34 2dzdA1 ASP 453 H -0.03 0.14 -0.16 -0.55 8.40 7.80 2dzdA1 ASP 453 HA 0.03 0.04 0.30 -0.75 4.63 4.25 2dzdA1 ASP 453 HB2 -0.02 0.06 0.07 -0.04 2.71 2.77 2dzdA1 ASP 453 HB3 -0.03 0.02 0.08 -0.04 2.70 2.73 2dzdA1 THR 454 H 0.02 0.35 -0.66 -0.55 8.28 7.45 2dzdA1 THR 454 HA 0.03 0.12 0.73 -0.75 4.39 4.52 2dzdA1 THR 454 HB 0.06 0.05 0.01 -0.04 4.32 4.39 2dzdA1 THR 454 HG23 0.11 0.06 -0.14 -0.04 1.22 1.20 2dzdA1 THR 455 H 0.01 0.37 -0.04 -0.55 8.28 8.07 2dzdA1 THR 455 HA 0.06 0.18 0.97 -0.75 4.39 4.85 2dzdA1 THR 455 HB -0.07 -0.10 0.09 -0.04 4.32 4.20 2dzdA1 THR 455 HG23 0.13 0.02 -0.05 -0.04 1.22 1.29 2dzdA1 PRO 456 HA 0.21 0.13 0.29 -0.51 4.44 4.56 2dzdA1 PRO 456 HB2 0.05 0.02 -0.02 -0.04 2.28 2.29 2dzdA1 PRO 456 HB3 0.04 0.07 0.04 -0.04 2.02 2.14 2dzdA1 PRO 456 HG2 0.05 -0.01 0.07 -0.04 2.03 2.10 2dzdA1 PRO 456 HG3 0.04 0.07 0.06 -0.04 2.03 2.16 2dzdA1 PRO 456 HD2 0.07 0.06 0.26 -0.04 3.68 4.03 2dzdA1 PRO 456 HD3 0.06 0.38 -0.00 -0.04 3.65 4.04 2dzdA1 GLU 457 H 0.08 0.15 -0.20 -0.55 8.60 8.08 2dzdA1 GLU 457 HA 0.02 0.08 0.35 -0.75 4.29 3.99 2dzdA1 GLU 457 HB2 0.03 0.05 0.10 -0.04 2.09 2.22 2dzdA1 GLU 457 HB3 0.06 -0.01 0.09 -0.04 1.99 2.09 2dzdA1 GLU 457 HG2 0.14 0.03 -0.17 -0.04 2.34 2.30 2dzdA1 GLU 457 HG3 0.18 0.03 -0.08 -0.04 2.34 2.43 2dzdA1 LEU 458 H 0.01 0.32 -0.55 -0.55 8.37 7.60 2dzdA1 LEU 458 HA -0.15 0.08 0.40 -0.75 4.35 3.93 2dzdA1 LEU 458 HB2 -0.17 0.40 0.16 -0.04 1.64 1.99 2dzdA1 LEU 458 HB3 -0.48 -0.04 -0.04 -0.04 1.64 1.04 2dzdA1 LEU 458 HG -0.43 -0.05 -0.08 -0.04 1.64 1.04 2dzdA1 LEU 458 HD13 -0.05 0.00 -0.08 -0.04 0.93 0.77 2dzdA1 LEU 458 HD23 -0.66 -0.01 0.03 -0.04 0.89 0.21 2dzdA1 PHE 459 H 0.08 0.50 -0.42 -0.55 8.34 7.95 2dzdA1 PHE 459 HA -0.23 0.16 0.85 -0.75 4.62 4.65 2dzdA1 PHE 459 HB2 -0.03 0.11 0.09 -0.04 3.15 3.27 2dzdA1 PHE 459 HB3 -0.01 -0.05 0.18 -0.04 3.06 3.14 2dzdA1 PHE 459 HD2 0.06 0.02 -0.02 -0.04 7.28 7.30 2dzdA1 PHE 459 HE2 0.05 0.06 -0.08 -0.04 7.38 7.36 2dzdA1 PHE 459 HZ 0.04 -0.09 -0.10 -0.04 7.32 7.13 2dzdA1 VAL 460 H -0.32 0.40 -0.28 -0.55 8.24 7.49 2dzdA1 VAL 460 HA -0.18 0.10 0.92 -0.75 4.13 4.22 2dzdA1 VAL 460 HB -0.13 0.08 0.12 -0.04 2.12 2.15 2dzdA1 VAL 460 HG13 -0.04 0.02 -0.06 -0.04 0.97 0.85 2dzdA1 VAL 460 HG23 -0.03 -0.02 -0.04 -0.04 0.95 0.81 2dzdA1 PHE 461 H 0.01 0.11 -0.01 -0.55 8.34 7.89 2dzdA1 PHE 461 HA 0.01 0.27 0.64 -0.75 4.62 4.78 2dzdA1 PHE 461 HB2 -0.02 -0.01 -0.01 -0.04 3.15 3.08 2dzdA1 PHE 461 HB3 -0.01 0.00 0.01 -0.04 3.06 3.02 2dzdA1 PHE 461 HD2 -0.01 0.03 -0.17 -0.04 7.28 7.09 2dzdA1 PHE 461 HE2 0.02 0.07 -0.30 -0.04 7.38 7.12 2dzdA1 PHE 461 HZ 0.02 -0.01 -0.03 -0.04 7.32 7.26