============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 7 1.040 29.534 18.954 36.848 -99.200 -91.000 TRP6 7 1.020 29.223 20.573 35.163 -99.200 -91.000 PHE 62 1.000 18.634 22.556 19.005 -99.200 -91.000 TYR 90 0.840 9.360 30.070 24.045 -99.200 -91.000 TYR 94 0.840 20.851 32.176 28.718 -99.200 -91.000 PHE 98 1.000 22.020 20.411 17.996 -99.200 -91.000 PHE 117 1.000 26.282 22.059 23.303 -99.200 -91.000 TYR 120 0.840 27.451 32.435 19.968 -99.200 -91.000 TYR 149 0.840 33.369 17.550 21.472 -99.200 -91.000 TYR 152 0.840 25.646 11.940 18.428 -99.200 -91.000 PHE 158 1.000 26.557 17.249 26.613 -99.200 -91.000 PHE 167 1.000 34.120 20.303 34.638 -99.200 -91.000 PHE 169 1.000 29.266 15.985 32.363 -99.200 -91.000 TYR 175 0.840 22.214 1.705 35.262 -99.200 -91.000 PHE 178 1.000 25.191 12.149 27.644 -99.200 -91.000 TYR 194 0.840 51.204 14.170 10.099 -99.200 -91.000 PHE 196 1.000 47.677 19.405 9.201 -99.200 -91.000 TYR 201 0.840 52.968 17.540 0.090 -99.200 -91.000 TRP 204 1.040 47.227 21.203 1.935 -99.200 -91.000 TRP6 204 1.020 48.033 19.414 3.262 -99.200 -91.000 TYR 211 0.840 53.247 21.651 10.658 -99.200 -91.000 TYR 225 0.840 55.159 15.494 14.972 -99.200 -91.000 TYR 229 0.840 41.553 14.205 7.958 -99.200 -91.000 PHE 237 1.000 38.376 20.018 19.439 -99.200 -91.000 HIS 238 0.900 36.552 13.135 22.773 -99.200 -91.000 TYR 243 0.840 43.997 9.329 23.517 -99.200 -91.000 TYR 247 0.840 40.916 18.624 12.277 -99.200 -91.000 TYR 249 0.840 39.116 20.895 5.829 -99.200 -91.000 TYR 264 0.840 26.804 28.452 11.046 -99.200 -91.000 PHE 271 1.000 34.341 29.474 25.621 -99.200 -91.000 HIS 284 0.900 48.826 33.614 8.449 -99.200 -91.000 HIS 296 0.900 25.476 29.887 5.066 -99.200 -91.000 TYR 302 0.840 46.668 25.628 9.926 -99.200 -91.000 TYR 315 0.840 57.817 24.572 9.825 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dbzA1 ILE 18 HA 0.06 -0.03 0.19 -0.75 4.18 3.64 1dbzA1 ILE 19 H 0.09 0.19 0.10 -0.55 8.25 8.07 1dbzA1 ILE 19 HA 0.11 0.11 0.78 -0.75 4.18 4.42 1dbzA1 ILE 19 HB 0.16 -0.02 0.18 -0.04 1.89 2.17 1dbzA1 ILE 19 HG12 0.10 0.04 0.02 -0.04 1.49 1.61 1dbzA1 ILE 19 HG13 0.15 0.01 0.01 -0.04 1.21 1.34 1dbzA1 ILE 19 HG23 0.30 0.02 -0.05 -0.04 0.93 1.16 1dbzA1 ILE 19 HD13 0.10 0.02 -0.06 -0.04 0.88 0.89 1dbzA1 THR 20 H 0.12 0.12 0.19 -0.55 8.28 8.16 1dbzA1 THR 20 HA 0.15 0.27 0.90 -0.75 4.39 4.95 1dbzA1 THR 20 HB 0.07 0.01 0.14 -0.04 4.32 4.50 1dbzA1 THR 20 HG23 0.06 0.07 -0.08 -0.04 1.22 1.22 1dbzA1 LEU 21 H 0.06 0.69 0.27 -0.55 8.37 8.84 1dbzA1 LEU 21 HA -0.33 0.07 0.29 -0.75 4.35 3.63 1dbzA1 LEU 21 HB2 -0.48 0.03 0.05 -0.04 1.64 1.19 1dbzA1 LEU 21 HB3 -0.14 -0.05 0.13 -0.04 1.64 1.54 1dbzA1 LEU 21 HG -0.27 -0.01 -0.30 -0.04 1.64 1.02 1dbzA1 LEU 21 HD13 -1.19 0.00 -0.09 -0.04 0.93 -0.39 1dbzA1 LEU 21 HD23 -0.64 0.02 -0.08 -0.04 0.89 0.16 1dbzA1 THR 22 H 0.01 0.11 -0.13 -0.55 8.28 7.72 1dbzA1 THR 22 HA 0.00 0.10 0.30 -0.75 4.39 4.04 1dbzA1 THR 22 HB 0.02 -0.01 0.04 -0.04 4.32 4.32 1dbzA1 THR 22 HG23 -0.01 0.03 -0.06 -0.04 1.22 1.14 1dbzA1 SER 23 H 0.08 0.06 -0.25 -0.55 8.46 7.80 1dbzA1 SER 23 HA 0.04 0.08 0.36 -0.75 4.49 4.21 1dbzA1 SER 23 HB2 0.14 0.01 0.21 -0.04 3.95 4.26 1dbzA1 SER 23 HB3 0.07 0.07 0.07 -0.04 3.93 4.10 1dbzA1 TRP 24 H 0.31 0.54 -0.11 -0.55 7.97 8.16 1dbzA1 TRP 24 HA 0.00 0.00 0.25 -0.75 4.62 4.12 1dbzA1 TRP 24 HB2 0.15 -0.00 0.01 -0.04 3.23 3.34 1dbzA1 TRP 24 HB3 0.07 0.11 0.06 -0.04 3.23 3.43 1dbzA1 TRP 24 HD1 0.00 -0.00 -0.04 -0.04 7.22 7.15 1dbzA1 TRP 24 HE1 -0.52 0.02 -0.05 -0.04 10.20 9.61 1dbzA1 TRP 24 HE3 -0.05 0.09 -0.34 -0.04 7.59 7.25 1dbzA1 TRP 24 HZ2 -1.46 0.03 -0.08 -0.04 7.44 5.89 1dbzA1 TRP 24 HZ3 -0.00 -0.01 -0.14 -0.04 7.13 6.93 1dbzA1 TRP 24 HH2 -0.12 -0.03 -0.12 -0.04 7.19 6.88 1dbzA1 LEU 25 H 0.23 0.60 -0.25 -0.55 8.37 8.40 1dbzA1 LEU 25 HA -0.01 0.01 0.45 -0.75 4.35 4.04 1dbzA1 LEU 25 HB2 0.05 0.08 0.12 -0.04 1.64 1.85 1dbzA1 LEU 25 HB3 0.02 -0.05 -0.07 -0.04 1.64 1.49 1dbzA1 LEU 25 HG 0.17 0.09 -0.08 -0.04 1.64 1.78 1dbzA1 LEU 25 HD13 -0.03 -0.00 -0.19 -0.04 0.93 0.66 1dbzA1 LEU 25 HD23 0.24 -0.02 -0.09 -0.04 0.89 0.99 1dbzA1 LEU 26 H -0.01 0.65 0.00 -0.55 8.37 8.47 1dbzA1 LEU 26 HA -0.06 -0.03 0.42 -0.75 4.35 3.93 1dbzA1 LEU 26 HB2 -0.02 0.14 0.19 -0.04 1.64 1.91 1dbzA1 LEU 26 HB3 -0.03 -0.05 0.04 -0.04 1.64 1.56 1dbzA1 LEU 26 HG -0.01 0.06 0.07 -0.04 1.64 1.71 1dbzA1 LEU 26 HD13 -0.01 -0.02 -0.05 -0.04 0.93 0.82 1dbzA1 LEU 26 HD23 -0.03 -0.02 -0.01 -0.04 0.89 0.80 1dbzA1 GLN 27 H -0.13 0.52 -0.22 -0.55 8.47 8.10 1dbzA1 GLN 27 HA -0.11 0.02 0.42 -0.75 4.36 3.94 1dbzA1 GLN 27 HB2 -0.31 0.14 0.07 -0.04 2.15 2.00 1dbzA1 GLN 27 HB3 -0.17 -0.02 -0.02 -0.04 2.02 1.77 1dbzA1 GLN 27 HG2 -0.06 -0.03 -0.01 -0.04 2.40 2.25 1dbzA1 GLN 27 HG3 -0.05 0.23 -0.05 -0.04 2.39 2.47 1dbzA1 GLN 27 HE21 0.04 0.00 -0.07 -0.04 6.97 6.91 1dbzA1 GLN 27 HE22 0.02 -0.02 -0.08 -0.04 7.69 7.56 1dbzA1 GLN 28 H -0.41 0.44 -0.20 -0.55 8.47 7.76 1dbzA1 GLN 28 HA -0.31 0.05 0.38 -0.75 4.36 3.72 1dbzA1 GLN 28 HB2 -0.37 0.12 0.09 -0.04 2.15 1.95 1dbzA1 GLN 28 HB3 -0.34 -0.05 -0.02 -0.04 2.02 1.57 1dbzA1 GLN 28 HG2 -1.36 0.47 0.16 -0.04 2.40 1.63 1dbzA1 GLN 28 HG3 -1.47 -0.08 -0.02 -0.04 2.39 0.77 1dbzA1 GLN 28 HE21 -0.60 -0.01 -0.06 -0.04 6.97 6.26 1dbzA1 GLN 28 HE22 -1.29 0.11 0.01 -0.04 7.69 6.49 1dbzA1 GLU 29 H -0.15 0.39 -0.29 -0.55 8.60 8.00 1dbzA1 GLU 29 HA -0.07 0.19 0.43 -0.75 4.29 4.09 1dbzA1 GLU 29 HB2 -0.06 -0.02 -0.06 -0.04 2.09 1.90 1dbzA1 GLU 29 HB3 -0.06 0.12 0.11 -0.04 1.99 2.12 1dbzA1 GLU 29 HG2 -0.03 0.15 -0.05 -0.04 2.34 2.38 1dbzA1 GLU 29 HG3 -0.03 -0.14 -0.33 -0.04 2.34 1.79 1dbzA1 GLN 30 H -0.08 0.60 -0.01 -0.55 8.47 8.43 1dbzA1 GLN 30 HA -0.04 -0.01 0.45 -0.75 4.36 4.01 1dbzA1 GLN 30 HB2 -0.05 0.00 0.15 -0.04 2.15 2.21 1dbzA1 GLN 30 HB3 -0.07 0.11 0.21 -0.04 2.02 2.23 1dbzA1 GLN 30 HG2 -0.04 0.02 -0.11 -0.04 2.40 2.23 1dbzA1 GLN 30 HG3 -0.03 -0.05 0.05 -0.04 2.39 2.32 1dbzA1 GLN 30 HE21 -0.02 -0.03 -0.02 -0.04 6.97 6.86 1dbzA1 GLN 30 HE22 -0.03 -0.02 -0.00 -0.04 7.69 7.61 1dbzA1 LYS 31 H -0.10 0.48 -0.36 -0.55 8.42 7.88 1dbzA1 LYS 31 HA -0.05 0.04 0.41 -0.75 4.32 3.96 1dbzA1 LYS 31 HB2 -0.11 0.05 0.12 -0.04 1.87 1.89 1dbzA1 LYS 31 HB3 -0.07 -0.05 0.17 -0.04 1.79 1.80 1dbzA1 LYS 31 HG2 -0.07 -0.07 0.01 -0.04 1.46 1.30 1dbzA1 LYS 31 HG3 -0.11 0.37 0.10 -0.04 1.46 1.78 1dbzA1 LYS 31 HD2 -0.18 -0.04 -0.07 -0.04 1.69 1.36 1dbzA1 LYS 31 HD3 -0.09 -0.02 -0.00 -0.04 1.68 1.53 1dbzA1 LYS 31 HE2 -0.08 -0.02 -0.04 -0.04 2.99 2.81 1dbzA1 LYS 31 HE3 -0.16 -0.05 -0.14 -0.04 2.99 2.61 1dbzA1 GLY 32 H -0.05 0.52 -0.90 -0.55 8.43 7.46 1dbzA1 GLY 32 HA2 -0.02 0.05 0.33 -0.51 4.01 3.86 1dbzA1 GLY 32 HA3 -0.02 -0.01 0.34 -0.51 4.01 3.81 1dbzA1 ILE 33 H -0.06 0.32 -0.42 -0.55 8.25 7.54 1dbzA1 ILE 33 HA -0.01 0.06 0.41 -0.75 4.18 3.88 1dbzA1 ILE 33 HB -0.11 -0.02 0.04 -0.04 1.89 1.76 1dbzA1 ILE 33 HG12 -0.03 0.01 0.01 -0.04 1.49 1.43 1dbzA1 ILE 33 HG13 -0.07 0.08 -0.04 -0.04 1.21 1.14 1dbzA1 ILE 33 HG23 -0.02 -0.02 -0.03 -0.04 0.93 0.82 1dbzA1 ILE 33 HD13 -0.10 -0.04 0.02 -0.04 0.88 0.72 1dbzA1 ILE 34 H -0.04 0.28 -0.21 -0.55 8.25 7.73 1dbzA1 ILE 34 HA 0.02 0.19 0.67 -0.75 4.18 4.30 1dbzA1 ILE 34 HB -0.02 -0.10 -0.04 -0.04 1.89 1.70 1dbzA1 ILE 34 HG12 -0.10 -0.02 -0.42 -0.04 1.49 0.91 1dbzA1 ILE 34 HG13 -0.06 -0.05 -0.32 -0.04 1.21 0.74 1dbzA1 ILE 34 HG23 0.01 0.02 -0.22 -0.04 0.93 0.70 1dbzA1 ILE 34 HD13 -0.06 0.02 -0.15 -0.04 0.88 0.65 1dbzA1 ASP 35 H 0.04 0.10 0.11 -0.55 8.40 8.09 1dbzA1 ASP 35 HA 0.01 0.33 0.88 -0.75 4.63 5.10 1dbzA1 ASP 35 HB2 0.04 -0.06 0.16 -0.04 2.71 2.81 1dbzA1 ASP 35 HB3 0.05 0.18 0.05 -0.04 2.70 2.94 1dbzA1 ALA 36 H 0.01 0.26 0.15 -0.55 8.40 8.27 1dbzA1 ALA 36 HA -0.02 0.09 0.36 -0.75 4.34 4.01 1dbzA1 ALA 36 HB3 0.00 0.04 0.10 -0.04 1.41 1.51 1dbzA1 GLU 37 H 0.04 0.10 -0.24 -0.55 8.60 7.96 1dbzA1 GLU 37 HA 0.02 0.12 0.36 -0.75 4.29 4.04 1dbzA1 GLU 37 HB2 0.10 0.04 0.08 -0.04 2.09 2.27 1dbzA1 GLU 37 HB3 0.17 -0.02 0.03 -0.04 1.99 2.13 1dbzA1 GLU 37 HG2 0.13 -0.00 -0.24 -0.04 2.34 2.18 1dbzA1 GLU 37 HG3 0.09 0.04 0.05 -0.04 2.34 2.49 1dbzA1 LEU 38 H -0.04 0.16 -0.19 -0.55 8.37 7.75 1dbzA1 LEU 38 HA -0.36 0.07 0.49 -0.75 4.35 3.80 1dbzA1 LEU 38 HB2 -0.34 0.02 0.07 -0.04 1.64 1.35 1dbzA1 LEU 38 HB3 -0.09 0.06 0.07 -0.04 1.64 1.64 1dbzA1 LEU 38 HG -0.10 -0.03 -0.14 -0.04 1.64 1.33 1dbzA1 LEU 38 HD13 -0.45 -0.01 0.00 -0.04 0.93 0.43 1dbzA1 LEU 38 HD23 -0.02 0.03 -0.01 -0.04 0.89 0.85 1dbzA1 THR 39 H -0.05 0.49 -0.24 -0.55 8.28 7.93 1dbzA1 THR 39 HA -0.03 0.02 0.26 -0.75 4.39 3.89 1dbzA1 THR 39 HB -0.03 0.13 0.05 -0.04 4.32 4.43 1dbzA1 THR 39 HG23 -0.03 -0.01 -0.17 -0.04 1.22 0.97 1dbzA1 ILE 40 H -0.04 0.51 -0.28 -0.55 8.25 7.89 1dbzA1 ILE 40 HA -0.04 0.02 0.34 -0.75 4.18 3.75 1dbzA1 ILE 40 HB -0.03 0.16 0.12 -0.04 1.89 2.10 1dbzA1 ILE 40 HG12 -0.02 -0.05 -0.01 -0.04 1.49 1.36 1dbzA1 ILE 40 HG13 -0.02 0.24 0.06 -0.04 1.21 1.46 1dbzA1 ILE 40 HG23 -0.03 -0.01 -0.13 -0.04 0.93 0.72 1dbzA1 ILE 40 HD13 -0.00 -0.02 -0.05 -0.04 0.88 0.77 1dbzA1 VAL 41 H -0.10 0.31 -0.30 -0.55 8.24 7.60 1dbzA1 VAL 41 HA -0.10 0.06 0.37 -0.75 4.13 3.70 1dbzA1 VAL 41 HB -0.18 0.07 0.17 -0.04 2.12 2.14 1dbzA1 VAL 41 HG13 -0.09 -0.01 -0.21 -0.04 0.97 0.61 1dbzA1 VAL 41 HG23 -0.12 0.07 0.01 -0.04 0.95 0.86 1dbzA1 LEU 42 H -0.07 0.71 -0.05 -0.55 8.37 8.41 1dbzA1 LEU 42 HA -0.06 -0.00 0.28 -0.75 4.35 3.81 1dbzA1 LEU 42 HB2 0.00 0.11 0.05 -0.04 1.64 1.76 1dbzA1 LEU 42 HB3 0.06 -0.06 -0.07 -0.04 1.64 1.53 1dbzA1 LEU 42 HG -0.01 0.06 -0.01 -0.04 1.64 1.64 1dbzA1 LEU 42 HD13 0.12 -0.00 -0.12 -0.04 0.93 0.88 1dbzA1 LEU 42 HD23 0.14 -0.02 -0.11 -0.04 0.89 0.87 1dbzA1 SER 43 H -0.06 0.48 -0.46 -0.55 8.46 7.87 1dbzA1 SER 43 HA -0.10 -0.03 0.38 -0.75 4.49 3.99 1dbzA1 SER 43 HB2 -0.05 0.12 0.07 -0.04 3.95 4.05 1dbzA1 SER 43 HB3 -0.05 0.11 0.09 -0.04 3.93 4.04 1dbzA1 SER 44 H -0.08 0.51 -0.22 -0.55 8.46 8.12 1dbzA1 SER 44 HA -0.07 0.01 0.46 -0.75 4.49 4.14 1dbzA1 SER 44 HB2 -0.12 0.05 0.15 -0.04 3.95 4.00 1dbzA1 SER 44 HB3 -0.14 0.07 -0.09 -0.04 3.93 3.72 1dbzA1 ILE 45 H -0.11 0.57 -0.17 -0.55 8.25 7.99 1dbzA1 ILE 45 HA -0.06 0.04 0.32 -0.75 4.18 3.72 1dbzA1 ILE 45 HB -0.19 0.11 0.06 -0.04 1.89 1.83 1dbzA1 ILE 45 HG12 -0.07 -0.03 -0.09 -0.04 1.49 1.26 1dbzA1 ILE 45 HG13 -0.13 0.16 -0.03 -0.04 1.21 1.17 1dbzA1 ILE 45 HG23 -0.42 -0.02 -0.23 -0.04 0.93 0.21 1dbzA1 ILE 45 HD13 -0.39 -0.03 -0.20 -0.04 0.88 0.22 1dbzA1 SER 46 H -0.12 0.45 -0.34 -0.55 8.46 7.90 1dbzA1 SER 46 HA -0.07 -0.02 0.28 -0.75 4.49 3.92 1dbzA1 SER 46 HB2 -0.39 -0.10 0.01 -0.04 3.95 3.44 1dbzA1 SER 46 HB3 -0.53 0.09 0.05 -0.04 3.93 3.49 1dbzA1 MET 47 H -0.04 0.39 -0.35 -0.55 8.47 7.93 1dbzA1 MET 47 HA 0.01 0.03 0.50 -0.75 4.52 4.30 1dbzA1 ALA 48 H 0.01 0.54 -0.20 -0.55 8.40 8.20 1dbzA1 ALA 48 HA 0.04 0.03 0.36 -0.75 4.34 4.01 1dbzA1 ALA 48 HB3 0.04 0.06 0.05 -0.04 1.41 1.52 1dbzA1 CYS 49 H 0.19 0.55 -0.10 -0.55 8.50 8.59 1dbzA1 CYS 49 HA 0.37 -0.01 0.38 -0.75 4.58 4.57 1dbzA1 CYS 49 HB2 0.36 0.11 0.03 -0.04 2.97 3.43 1dbzA1 CYS 49 HB3 0.52 -0.06 -0.04 -0.04 2.97 3.35 1dbzA1 LYS 50 H 0.15 0.45 -0.46 -0.55 8.42 8.01 1dbzA1 LYS 50 HA 0.09 -0.01 0.39 -0.75 4.32 4.03 1dbzA1 LYS 50 HB2 0.02 0.24 0.16 -0.04 1.87 2.25 1dbzA1 LYS 50 HB3 -0.03 -0.03 -0.01 -0.04 1.79 1.69 1dbzA1 LYS 50 HG2 -0.21 -0.10 -0.04 -0.04 1.46 1.06 1dbzA1 LYS 50 HG3 0.08 0.24 0.06 -0.04 1.46 1.79 1dbzA1 LYS 50 HD2 -0.03 -0.01 0.03 -0.04 1.69 1.64 1dbzA1 LYS 50 HD3 -0.09 0.04 0.02 -0.04 1.68 1.61 1dbzA1 LYS 50 HE2 -0.29 -0.08 -0.11 -0.04 2.99 2.47 1dbzA1 LYS 50 HE3 -0.05 -0.09 -0.07 -0.04 2.99 2.75 1dbzA1 GLN 51 H 0.06 0.42 -0.29 -0.55 8.47 8.12 1dbzA1 GLN 51 HA 0.00 0.08 0.52 -0.75 4.36 4.20 1dbzA1 GLN 51 HB2 0.03 0.13 0.10 -0.04 2.15 2.38 1dbzA1 GLN 51 HB3 0.01 -0.07 0.01 -0.04 2.02 1.94 1dbzA1 GLN 51 HG2 0.00 -0.04 -0.02 -0.04 2.40 2.29 1dbzA1 GLN 51 HG3 0.02 0.30 0.10 -0.04 2.39 2.76 1dbzA1 GLN 51 HE21 -0.01 -0.03 -0.05 -0.04 6.97 6.84 1dbzA1 GLN 51 HE22 -0.01 0.06 -0.07 -0.04 7.69 7.63 1dbzA1 ILE 52 H 0.07 0.52 -0.03 -0.55 8.25 8.26 1dbzA1 ILE 52 HA -0.05 0.03 0.48 -0.75 4.18 3.88 1dbzA1 ILE 52 HB 0.07 0.04 0.11 -0.04 1.89 2.07 1dbzA1 ILE 52 HG12 0.10 -0.07 0.03 -0.04 1.49 1.51 1dbzA1 ILE 52 HG13 0.14 0.32 0.02 -0.04 1.21 1.65 1dbzA1 ILE 52 HG23 -0.16 0.00 -0.07 -0.04 0.93 0.67 1dbzA1 ILE 52 HD13 0.38 0.01 -0.07 -0.04 0.88 1.16 1dbzA1 ALA 53 H -0.04 0.61 -0.26 -0.55 8.40 8.15 1dbzA1 ALA 53 HA -0.55 -0.03 0.28 -0.75 4.34 3.29 1dbzA1 ALA 53 HB3 0.16 0.06 0.06 -0.04 1.41 1.65 1dbzA1 SER 54 H -0.05 0.27 -0.56 -0.55 8.46 7.57 1dbzA1 SER 54 HA -0.03 0.04 0.46 -0.75 4.49 4.21 1dbzA1 SER 54 HB2 -0.02 0.12 0.10 -0.04 3.95 4.11 1dbzA1 SER 54 HB3 -0.02 0.11 0.04 -0.04 3.93 4.02 1dbzA1 LEU 55 H -0.07 0.39 -0.21 -0.55 8.37 7.93 1dbzA1 LEU 55 HA -0.03 0.03 0.42 -0.75 4.35 4.01 1dbzA1 LEU 55 HB2 -0.07 0.12 0.15 -0.04 1.64 1.80 1dbzA1 LEU 55 HB3 -0.03 -0.08 -0.01 -0.04 1.64 1.48 1dbzA1 LEU 55 HG -0.03 0.40 0.10 -0.04 1.64 2.07 1dbzA1 LEU 55 HD13 0.00 -0.03 -0.10 -0.04 0.93 0.76 1dbzA1 LEU 55 HD23 -0.01 -0.02 -0.05 -0.04 0.89 0.77 1dbzA1 VAL 56 H -0.14 0.56 -0.19 -0.55 8.24 7.92 1dbzA1 VAL 56 HA -0.05 -0.02 0.34 -0.75 4.13 3.65 1dbzA1 VAL 56 HB -0.17 0.17 0.09 -0.04 2.12 2.17 1dbzA1 VAL 56 HG13 0.01 -0.01 -0.17 -0.04 0.97 0.77 1dbzA1 VAL 56 HG23 -0.21 0.01 -0.03 -0.04 0.95 0.67 1dbzA1 GLN 57 H -0.05 0.38 -0.24 -0.55 8.47 8.02 1dbzA1 GLN 57 HA -0.00 0.06 0.36 -0.75 4.36 4.03 1dbzA1 GLN 57 HB2 -0.01 0.07 0.09 -0.04 2.15 2.25 1dbzA1 GLN 57 HB3 -0.00 -0.05 0.03 -0.04 2.02 1.96 1dbzA1 GLN 57 HG2 0.02 -0.04 -0.01 -0.04 2.40 2.33 1dbzA1 GLN 57 HG3 -0.01 0.36 0.17 -0.04 2.39 2.86 1dbzA1 GLN 57 HE21 0.03 -0.06 -0.08 -0.04 6.97 6.81 1dbzA1 GLN 57 HE22 0.06 -0.00 -0.06 -0.04 7.69 7.64 1dbzA1 ARG 58 H -0.02 0.42 -0.32 -0.55 8.46 7.99 1dbzA1 ARG 58 HA -0.01 0.14 0.84 -0.75 4.34 4.55 1dbzA1 ARG 58 HB2 -0.01 0.11 0.04 -0.04 1.90 2.00 1dbzA1 ARG 58 HB3 -0.01 -0.12 0.14 -0.04 1.80 1.77 1dbzA1 ARG 58 HG2 -0.01 -0.02 -0.07 -0.04 1.67 1.53 1dbzA1 ARG 58 HG3 -0.01 0.14 -0.02 -0.04 1.67 1.74 1dbzA1 ARG 58 HD2 -0.01 -0.00 -0.02 -0.04 3.22 3.14 1dbzA1 ARG 58 HD3 -0.01 0.02 -0.03 -0.04 3.22 3.16 1dbzA1 ALA 59 H -0.01 0.41 -0.31 -0.55 8.40 7.95 1dbzA1 ALA 59 HA -0.01 0.01 0.35 -0.75 4.34 3.94 1dbzA1 ALA 59 HB3 -0.01 0.03 0.07 -0.04 1.41 1.46 1dbzA1 ASN 60 H -0.00 0.21 -0.27 -0.55 8.53 7.92 1dbzA1 ASN 60 HA 0.00 0.05 0.41 -0.75 4.76 4.47 1dbzA1 ASN 60 HB2 0.00 0.00 0.04 -0.04 2.88 2.88 1dbzA1 ASN 60 HB3 0.00 0.02 -0.04 -0.04 2.79 2.73 1dbzA1 ASN 60 HD21 0.01 0.04 0.01 -0.04 7.03 7.05 1dbzA1 ASN 60 HD22 0.00 0.02 0.01 -0.04 7.74 7.73 1dbzA1 ILE 61 H -0.00 0.19 -0.10 -0.55 8.25 7.79 1dbzA1 ILE 61 HA -0.00 0.06 0.50 -0.75 4.18 3.99 1dbzA1 ILE 61 HB -0.00 0.12 0.12 -0.04 1.89 2.09 1dbzA1 ILE 61 HG12 -0.00 0.00 0.04 -0.04 1.49 1.48 1dbzA1 ILE 61 HG13 -0.00 -0.08 0.08 -0.04 1.21 1.17 1dbzA1 ILE 61 HG23 -0.00 -0.00 -0.07 -0.04 0.93 0.81 1dbzA1 ILE 61 HD13 -0.00 0.01 0.04 -0.04 0.88 0.88 1dbzA1 SER 62 H -0.00 0.71 -0.09 -0.55 8.46 8.53 1dbzA1 SER 62 HA -0.00 0.00 0.37 -0.75 4.49 4.11 1dbzA1 SER 62 HB2 -0.00 0.14 0.12 -0.04 3.95 4.17 1dbzA1 SER 62 HB3 -0.00 -0.06 -0.01 -0.04 3.93 3.82 1dbzA1 ASN 63 H 0.00 0.44 -0.33 -0.55 8.53 8.10 1dbzA1 ASN 63 HA 0.00 0.04 0.50 -0.75 4.76 4.55 1dbzA1 ASN 63 HB2 0.00 0.13 0.15 -0.04 2.88 3.12 1dbzA1 ASN 63 HB3 0.00 -0.06 0.13 -0.04 2.79 2.82 1dbzA1 ASN 63 HD21 0.00 -0.15 -0.05 -0.04 7.03 6.79 1dbzA1 ASN 63 HD22 0.00 -0.04 -0.05 -0.04 7.74 7.60 1dbzA1 LEU 64 H 0.00 0.36 -0.43 -0.55 8.37 7.75 1dbzA1 LEU 64 HA 0.00 0.04 0.52 -0.75 4.35 4.16 1dbzA1 LEU 64 HB2 0.00 0.15 0.05 -0.04 1.64 1.80 1dbzA1 LEU 64 HB3 0.00 -0.07 0.08 -0.04 1.64 1.61 1dbzA1 LEU 64 HG 0.00 0.10 0.14 -0.04 1.64 1.84 1dbzA1 LEU 64 HD13 0.00 -0.03 0.01 -0.04 0.93 0.87 1dbzA1 LEU 64 HD23 0.00 -0.03 -0.03 -0.04 0.89 0.79 1dbzA1 THR 65 H 0.00 0.31 -0.43 -0.55 8.28 7.61 1dbzA1 THR 65 HA 0.00 0.15 0.63 -0.75 4.39 4.41 1dbzA1 GLU 76 HA 0.01 0.00 0.18 -0.75 4.29 3.72 1dbzA1 GLU 76 HB2 0.01 -0.01 0.07 -0.04 2.09 2.12 1dbzA1 GLU 76 HB3 0.01 0.04 0.04 -0.04 1.99 2.03 1dbzA1 GLU 76 HG2 0.01 -0.00 0.07 -0.04 2.34 2.37 1dbzA1 GLU 76 HG3 0.01 0.04 0.05 -0.04 2.34 2.40 1dbzA1 ASP 77 H 0.01 0.17 0.15 -0.55 8.40 8.18 1dbzA1 ASP 77 HA 0.01 0.23 0.88 -0.75 4.63 4.99 1dbzA1 GLN 78 H 0.01 0.15 0.08 -0.55 8.47 8.16 1dbzA1 GLN 78 HA 0.01 0.09 0.33 -0.75 4.36 4.04 1dbzA1 GLN 78 HB2 0.01 0.03 -0.07 -0.04 2.15 2.08 1dbzA1 GLN 78 HB3 0.01 0.04 -0.30 -0.04 2.02 1.73 1dbzA1 GLN 78 HG2 0.01 -0.11 -0.39 -0.04 2.40 1.87 1dbzA1 GLN 78 HG3 0.01 0.05 0.18 -0.04 2.39 2.59 1dbzA1 GLN 78 HE21 0.04 -0.03 0.01 -0.04 6.97 6.95 1dbzA1 GLN 78 HE22 0.02 0.05 0.05 -0.04 7.69 7.77 1dbzA1 LYS 79 H 0.01 -0.03 -1.33 -0.55 8.42 6.52 1dbzA1 LYS 79 HA 0.01 0.22 0.80 -0.75 4.32 4.60 1dbzA1 LYS 80 H 0.01 0.29 -0.03 -0.55 8.42 8.13 1dbzA1 LYS 80 HA 0.01 0.12 0.65 -0.75 4.32 4.34 1dbzA1 LYS 80 HB2 0.01 0.08 0.10 -0.04 1.87 2.01 1dbzA1 LYS 80 HB3 0.01 0.08 0.01 -0.04 1.79 1.85 1dbzA1 LYS 80 HG2 0.01 -0.09 0.04 -0.04 1.46 1.38 1dbzA1 LYS 80 HG3 0.01 -0.00 0.09 -0.04 1.46 1.52 1dbzA1 LYS 80 HD2 0.01 0.04 0.01 -0.04 1.69 1.71 1dbzA1 LYS 80 HD3 0.01 0.04 -0.04 -0.04 1.68 1.64 1dbzA1 LYS 80 HE2 0.01 -0.04 -0.01 -0.04 2.99 2.91 1dbzA1 LYS 80 HE3 0.01 -0.01 0.01 -0.04 2.99 2.96 1dbzA1 LEU 81 H 0.01 0.38 -0.12 -0.55 8.37 8.10 1dbzA1 LEU 81 HA 0.01 0.07 0.37 -0.75 4.35 4.04 1dbzA1 LEU 81 HB2 0.00 0.16 0.03 -0.04 1.64 1.79 1dbzA1 LEU 81 HB3 0.01 0.00 -0.11 -0.04 1.64 1.50 1dbzA1 LEU 81 HG -0.00 -0.02 -0.15 -0.04 1.64 1.43 1dbzA1 LEU 81 HD13 -0.01 -0.01 -0.07 -0.04 0.93 0.80 1dbzA1 LEU 81 HD23 -0.01 0.00 -0.12 -0.04 0.89 0.72 1dbzA1 ASP 82 H 0.01 0.13 -0.78 -0.55 8.40 7.22 1dbzA1 ASP 82 HA 0.02 0.01 0.27 -0.75 4.63 4.18 1dbzA1 ASP 82 HB2 0.01 0.31 0.14 -0.04 2.71 3.13 1dbzA1 ASP 82 HB3 0.01 -0.01 0.02 -0.04 2.70 2.68 1dbzA1 VAL 83 H 0.02 0.21 -0.24 -0.55 8.24 7.69 1dbzA1 VAL 83 HA 0.04 0.03 0.35 -0.75 4.13 3.80 1dbzA1 VAL 83 HB 0.02 0.13 0.19 -0.04 2.12 2.42 1dbzA1 VAL 83 HG13 0.03 -0.01 -0.09 -0.04 0.97 0.86 1dbzA1 VAL 83 HG23 0.02 0.03 0.10 -0.04 0.95 1.06 1dbzA1 ILE 84 H 0.03 0.60 -0.05 -0.55 8.25 8.27 1dbzA1 ILE 84 HA 0.03 -0.00 0.34 -0.75 4.18 3.79 1dbzA1 ILE 84 HB 0.02 0.08 0.08 -0.04 1.89 2.02 1dbzA1 ILE 84 HG12 0.02 -0.03 0.03 -0.04 1.49 1.46 1dbzA1 ILE 84 HG13 0.02 0.23 0.12 -0.04 1.21 1.53 1dbzA1 ILE 84 HG23 0.02 -0.01 -0.09 -0.04 0.93 0.80 1dbzA1 ILE 84 HD13 0.01 -0.02 -0.08 -0.04 0.88 0.74 1dbzA1 SER 85 H 0.05 0.55 -0.41 -0.55 8.46 8.11 1dbzA1 SER 85 HA 0.09 -0.03 0.38 -0.75 4.49 4.18 1dbzA1 SER 85 HB2 0.09 0.17 0.08 -0.04 3.95 4.25 1dbzA1 SER 85 HB3 0.17 -0.07 0.01 -0.04 3.93 3.99 1dbzA1 ASN 86 H 0.10 0.53 -0.17 -0.55 8.53 8.44 1dbzA1 ASN 86 HA 0.24 0.04 0.58 -0.75 4.76 4.86 1dbzA1 ASN 86 HB2 0.09 0.15 0.15 -0.04 2.88 3.23 1dbzA1 ASN 86 HB3 0.13 -0.04 -0.06 -0.04 2.79 2.77 1dbzA1 ASN 86 HD21 0.03 0.23 -0.15 -0.04 7.03 7.09 1dbzA1 ASN 86 HD22 0.05 -0.06 -0.13 -0.04 7.74 7.56 1dbzA1 GLU 87 H 0.08 0.46 -0.13 -0.55 8.60 8.47 1dbzA1 GLU 87 HA 0.05 0.04 0.44 -0.75 4.29 4.07 1dbzA1 GLU 87 HB2 0.04 0.18 0.17 -0.04 2.09 2.43 1dbzA1 GLU 87 HB3 0.03 -0.04 0.01 -0.04 1.99 1.95 1dbzA1 GLU 87 HG2 0.03 -0.02 -0.00 -0.04 2.34 2.31 1dbzA1 GLU 87 HG3 0.04 0.10 -0.02 -0.04 2.34 2.43 1dbzA1 VAL 88 H 0.07 0.48 -0.10 -0.55 8.24 8.14 1dbzA1 VAL 88 HA 0.01 0.01 0.36 -0.75 4.13 3.76 1dbzA1 VAL 88 HB 0.09 0.13 0.09 -0.04 2.12 2.39 1dbzA1 VAL 88 HG13 0.04 -0.02 -0.09 -0.04 0.97 0.85 1dbzA1 VAL 88 HG23 0.03 0.05 -0.01 -0.04 0.95 0.98 1dbzA1 PHE 89 H 0.17 0.37 -0.40 -0.55 8.34 7.93 1dbzA1 PHE 89 HA -0.23 -0.02 0.37 -0.75 4.62 3.99 1dbzA1 PHE 89 HB2 -0.39 0.03 0.08 -0.04 3.15 2.83 1dbzA1 PHE 89 HB3 -0.11 0.20 0.17 -0.04 3.06 3.28 1dbzA1 PHE 89 HD2 -0.50 0.03 -0.09 -0.04 7.28 6.68 1dbzA1 PHE 89 HE2 -0.24 -0.03 -0.22 -0.04 7.38 6.85 1dbzA1 PHE 89 HZ -0.08 -0.03 -0.17 -0.04 7.32 7.00 1dbzA1 SER 90 H 0.04 0.53 -0.19 -0.55 8.46 8.29 1dbzA1 SER 90 HA -0.33 0.00 0.31 -0.75 4.49 3.73 1dbzA1 SER 90 HB2 -0.01 0.09 0.17 -0.04 3.95 4.15 1dbzA1 SER 90 HB3 -0.05 -0.05 -0.00 -0.04 3.93 3.79 1dbzA1 ASN 91 H -0.07 0.55 -0.11 -0.55 8.53 8.36 1dbzA1 ASN 91 HA -0.06 0.03 0.51 -0.75 4.76 4.48 1dbzA1 ASN 91 HB2 -0.04 0.09 0.06 -0.04 2.88 2.94 1dbzA1 ASN 91 HB3 -0.03 -0.05 -0.00 -0.04 2.79 2.66 1dbzA1 ASN 91 HD21 -0.00 -0.06 -0.10 -0.04 7.03 6.83 1dbzA1 ASN 91 HD22 -0.01 -0.03 -0.05 -0.04 7.74 7.61 1dbzA1 CYS 92 H -0.13 0.53 -0.17 -0.55 8.50 8.18 1dbzA1 CYS 92 HA -0.09 0.04 0.57 -0.75 4.58 4.34 1dbzA1 CYS 92 HB2 -0.17 0.12 0.08 -0.04 2.97 2.96 1dbzA1 CYS 92 HB3 -0.11 -0.02 0.09 -0.04 2.97 2.90 1dbzA1 LEU 93 H -0.30 0.37 -0.49 -0.55 8.37 7.40 1dbzA1 LEU 93 HA -0.18 0.13 0.91 -0.75 4.35 4.45 1dbzA1 LEU 93 HB2 -0.64 0.19 -0.02 -0.04 1.64 1.13 1dbzA1 LEU 93 HB3 -0.32 -0.08 0.05 -0.04 1.64 1.24 1dbzA1 LEU 93 HG -0.24 -0.00 -0.08 -0.04 1.64 1.28 1dbzA1 LEU 93 HD13 -0.62 -0.02 -0.32 -0.04 0.93 -0.07 1dbzA1 LEU 93 HD23 -0.28 -0.02 -0.12 -0.04 0.89 0.43 1dbzA1 ARG 94 H -0.11 0.33 -0.27 -0.55 8.46 7.85 1dbzA1 ARG 94 HA -0.04 0.21 0.52 -0.75 4.34 4.28 1dbzA1 ARG 94 HB2 -0.04 0.08 0.23 -0.04 1.90 2.13 1dbzA1 ARG 94 HB3 -0.02 0.04 0.11 -0.04 1.80 1.89 1dbzA1 ARG 94 HG2 0.05 -0.04 -0.08 -0.04 1.67 1.56 1dbzA1 ARG 94 HG3 0.06 -0.01 0.09 -0.04 1.67 1.77 1dbzA1 ARG 94 HD2 -0.00 0.01 0.02 -0.04 3.22 3.21 1dbzA1 ARG 94 HD3 0.02 -0.04 0.00 -0.04 3.22 3.15 1dbzA1 SER 95 H -0.03 0.15 -0.37 -0.55 8.46 7.66 1dbzA1 SER 95 HA 0.08 0.09 0.41 -0.75 4.49 4.32 1dbzA1 SER 95 HB2 0.01 -0.03 0.05 -0.04 3.95 3.94 1dbzA1 SER 95 HB3 -0.01 0.01 0.03 -0.04 3.93 3.92 1dbzA1 SER 96 H -0.05 0.31 -0.53 -0.55 8.46 7.64 1dbzA1 SER 96 HA 0.05 0.13 0.90 -0.75 4.49 4.82 1dbzA1 SER 96 HB2 -0.12 0.11 0.03 -0.04 3.95 3.92 1dbzA1 SER 96 HB3 -0.05 -0.10 0.02 -0.04 3.93 3.76 1dbzA1 GLY 97 H -0.26 0.76 0.18 -0.55 8.43 8.56 1dbzA1 GLY 97 HA2 -2.10 -0.05 0.42 -0.51 4.01 1.76 1dbzA1 GLY 97 HA3 -0.53 0.09 0.38 -0.51 4.01 3.44 1dbzA1 ARG 98 H -0.44 0.27 0.21 -0.55 8.46 7.95 1dbzA1 ARG 98 HA -0.09 0.12 0.67 -0.75 4.34 4.29 1dbzA1 THR 99 H -0.03 0.20 0.17 -0.55 8.28 8.06 1dbzA1 THR 99 HA 0.02 0.25 1.22 -0.75 4.39 5.13 1dbzA1 THR 99 HB 0.05 -0.03 -0.20 -0.04 4.32 4.10 1dbzA1 THR 99 HG23 -0.16 0.01 -0.12 -0.04 1.22 0.91 1dbzA1 GLY 100 H 0.05 0.40 0.29 -0.55 8.43 8.62 1dbzA1 GLY 100 HA2 0.04 0.32 0.86 -0.51 4.01 4.71 1dbzA1 GLY 100 HA3 0.03 -0.06 0.39 -0.51 4.01 3.87 1dbzA1 ILE 101 H 0.03 0.22 0.33 -0.55 8.25 8.28 1dbzA1 ILE 101 HA 0.03 0.26 1.08 -0.75 4.18 4.79 1dbzA1 ILE 101 HB 0.03 -0.05 -0.09 -0.04 1.89 1.75 1dbzA1 ILE 101 HG12 0.06 0.04 -0.13 -0.04 1.49 1.42 1dbzA1 ILE 101 HG13 0.06 0.05 -0.77 -0.04 1.21 0.51 1dbzA1 ILE 101 HG23 0.02 -0.01 -0.36 -0.04 0.93 0.54 1dbzA1 ILE 101 HD13 0.05 -0.01 -0.18 -0.04 0.88 0.70 1dbzA1 ILE 102 H -0.02 0.84 0.27 -0.55 8.25 8.79 1dbzA1 ILE 102 HA 0.02 0.15 0.88 -0.75 4.18 4.47 1dbzA1 ILE 102 HB -0.13 -0.01 0.24 -0.04 1.89 1.95 1dbzA1 ILE 102 HG12 0.00 0.01 -0.07 -0.04 1.49 1.39 1dbzA1 ILE 102 HG13 -0.01 -0.00 -0.10 -0.04 1.21 1.06 1dbzA1 ILE 102 HG23 -0.02 0.01 -0.07 -0.04 0.93 0.82 1dbzA1 ILE 102 HD13 0.01 -0.01 -0.07 -0.04 0.88 0.76 1dbzA1 ALA 103 H 0.04 0.21 0.09 -0.55 8.40 8.20 1dbzA1 ALA 103 HA 0.02 -0.00 0.33 -0.75 4.34 3.93 1dbzA1 ALA 103 HB3 0.03 0.03 0.03 -0.04 1.41 1.46 1dbzA1 SER 104 H 0.01 0.12 0.08 -0.55 8.46 8.13 1dbzA1 SER 104 HA -0.01 0.01 0.41 -0.75 4.49 4.15 1dbzA1 GLU 105 H -0.21 0.03 0.06 -0.55 8.60 7.93 1dbzA1 GLU 105 HA -0.09 0.13 0.49 -0.75 4.29 4.06 1dbzA1 GLU 106 H -0.08 -0.06 -0.01 -0.55 8.60 7.90 1dbzA1 GLU 106 HA -0.02 0.26 0.62 -0.75 4.29 4.40 1dbzA1 GLU 107 H -0.01 0.03 0.14 -0.55 8.60 8.22 1dbzA1 GLU 107 HA -0.00 0.22 0.65 -0.75 4.29 4.41 1dbzA1 ASP 108 H -0.01 -0.12 -0.01 -0.55 8.40 7.72 1dbzA1 ASP 108 HA -0.00 -0.03 0.24 -0.75 4.63 4.08 1dbzA1 VAL 109 H -0.01 0.04 0.08 -0.55 8.24 7.80 1dbzA1 VAL 109 HA -0.02 0.25 0.62 -0.75 4.13 4.23 1dbzA1 VAL 109 HB -0.05 -0.02 0.02 -0.04 2.12 2.02 1dbzA1 VAL 109 HG13 -0.04 0.08 0.02 -0.04 0.97 0.99 1dbzA1 VAL 109 HG23 -0.02 -0.00 -0.20 -0.04 0.95 0.69 1dbzA1 PRO 110 HA -0.03 0.12 0.51 -0.51 4.44 4.53 1dbzA1 PRO 110 HB2 -0.00 0.04 -0.11 -0.04 2.28 2.16 1dbzA1 PRO 110 HB3 -0.00 -0.05 0.07 -0.04 2.02 2.00 1dbzA1 PRO 110 HG2 -0.00 0.02 0.05 -0.04 2.03 2.06 1dbzA1 PRO 110 HG3 0.01 0.02 0.01 -0.04 2.03 2.03 1dbzA1 PRO 110 HD2 -0.01 0.03 0.25 -0.04 3.68 3.91 1dbzA1 PRO 110 HD3 -0.01 0.23 0.21 -0.04 3.65 4.05 1dbzA1 VAL 111 H -0.13 0.39 0.24 -0.55 8.24 8.19 1dbzA1 VAL 111 HA -0.15 0.25 0.95 -0.75 4.13 4.43 1dbzA1 VAL 111 HB -0.44 -0.08 0.13 -0.04 2.12 1.70 1dbzA1 VAL 111 HG13 -0.26 0.01 -0.24 -0.04 0.97 0.43 1dbzA1 VAL 111 HG23 -0.86 0.02 -0.05 -0.04 0.95 0.02 1dbzA1 ALA 112 H -0.02 0.64 0.37 -0.55 8.40 8.85 1dbzA1 ALA 112 HA 0.08 0.17 0.91 -0.75 4.34 4.74 1dbzA1 ALA 112 HB3 0.14 0.00 0.08 -0.04 1.41 1.60 1dbzA1 VAL 113 H 0.10 0.52 0.21 -0.55 8.24 8.52 1dbzA1 VAL 113 HA 0.16 0.33 1.15 -0.75 4.13 5.02 1dbzA1 VAL 113 HB 0.07 -0.09 0.04 -0.04 2.12 2.10 1dbzA1 VAL 113 HG13 0.09 0.00 -0.22 -0.04 0.97 0.81 1dbzA1 VAL 113 HG23 0.06 -0.01 -0.20 -0.04 0.95 0.76 1dbzA1 GLU 114 H 0.22 0.72 0.33 -0.55 8.60 9.32 1dbzA1 GLU 114 HA 0.04 0.27 1.03 -0.75 4.29 4.87 1dbzA1 GLU 114 HB2 0.07 0.00 -0.14 -0.04 2.09 1.98 1dbzA1 GLU 114 HB3 0.14 -0.10 0.07 -0.04 1.99 2.06 1dbzA1 GLU 114 HG2 -0.14 0.16 -0.45 -0.04 2.34 1.88 1dbzA1 GLU 114 HG3 -0.25 0.01 -0.24 -0.04 2.34 1.82 1dbzA1 GLU 115 H -0.04 0.84 0.26 -0.55 8.60 9.12 1dbzA1 GLU 115 HA 0.03 0.20 1.08 -0.75 4.29 4.85 1dbzA1 GLU 115 HB2 0.02 -0.06 -0.16 -0.04 2.09 1.84 1dbzA1 GLU 115 HB3 -0.02 -0.01 0.06 -0.04 1.99 1.98 1dbzA1 GLU 115 HG2 -0.00 0.17 -0.10 -0.04 2.34 2.37 1dbzA1 GLU 115 HG3 0.02 0.00 0.03 -0.04 2.34 2.35 1dbzA1 SER 116 H 0.03 0.61 0.29 -0.55 8.46 8.85 1dbzA1 SER 116 HA -0.15 0.26 0.51 -0.75 4.49 4.36 1dbzA1 SER 116 HB2 0.07 -0.31 0.28 -0.04 3.95 3.95 1dbzA1 SER 116 HB3 0.08 -0.06 0.20 -0.04 3.93 4.11 1dbzA1 TYR 117 H -0.16 0.57 0.42 -0.55 8.29 8.58 1dbzA1 TYR 117 HA 0.01 0.08 0.46 -0.75 4.56 4.36 1dbzA1 TYR 117 HB2 0.01 -0.01 0.10 -0.04 3.06 3.12 1dbzA1 TYR 117 HB3 0.00 0.00 0.07 -0.04 2.98 3.01 1dbzA1 TYR 117 HD2 -0.00 0.03 -0.07 -0.04 7.15 7.07 1dbzA1 TYR 117 HE2 -0.02 0.09 -0.18 -0.04 6.85 6.70 1dbzA1 SER 118 H 0.11 -0.00 -0.21 -0.55 8.46 7.81 1dbzA1 SER 118 HA 0.06 0.15 0.49 -0.75 4.49 4.44 1dbzA1 SER 118 HB2 0.04 0.07 0.04 -0.04 3.95 4.06 1dbzA1 SER 118 HB3 0.08 0.02 0.09 -0.04 3.93 4.08 1dbzA1 GLY 119 H 0.03 0.11 -0.28 -0.55 8.43 7.75 1dbzA1 GLY 119 HA2 0.01 0.06 0.28 -0.51 4.01 3.85 1dbzA1 GLY 119 HA3 0.00 0.16 0.47 -0.51 4.01 4.12 1dbzA1 ASN 120 H -0.04 -0.13 -0.13 -0.55 8.53 7.69 1dbzA1 ASN 120 HA -0.23 0.30 0.70 -0.75 4.76 4.78 1dbzA1 ASN 120 HB2 -0.14 -0.14 0.01 -0.04 2.88 2.57 1dbzA1 ASN 120 HB3 -1.02 -0.02 -0.08 -0.04 2.79 1.63 1dbzA1 ASN 120 HD21 -0.04 0.03 -0.03 -0.04 7.03 6.95 1dbzA1 ASN 120 HD22 -0.02 -0.10 -0.05 -0.04 7.74 7.53 1dbzA1 TYR 121 H 0.03 -0.05 0.09 -0.55 8.29 7.80 1dbzA1 TYR 121 HA 0.06 0.48 0.93 -0.75 4.56 5.27 1dbzA1 TYR 121 HB2 0.02 -0.12 -0.01 -0.04 3.06 2.91 1dbzA1 TYR 121 HB3 0.05 0.04 -0.02 -0.04 2.98 3.01 1dbzA1 TYR 121 HD2 0.03 0.00 -0.10 -0.04 7.15 7.04 1dbzA1 TYR 121 HE2 0.02 -0.03 -0.08 -0.04 6.85 6.73 1dbzA1 ILE 122 H 0.24 0.63 0.33 -0.55 8.25 8.89 1dbzA1 ILE 122 HA 0.13 0.33 1.06 -0.75 4.18 4.94 1dbzA1 ILE 122 HB 0.21 -0.07 0.11 -0.04 1.89 2.10 1dbzA1 ILE 122 HG12 0.07 0.04 -0.09 -0.04 1.49 1.47 1dbzA1 ILE 122 HG13 0.08 0.01 -0.34 -0.04 1.21 0.92 1dbzA1 ILE 122 HG23 0.12 -0.00 -0.18 -0.04 0.93 0.82 1dbzA1 ILE 122 HD13 0.03 -0.00 -0.11 -0.04 0.88 0.76 1dbzA1 VAL 123 H 0.16 0.74 0.32 -0.55 8.24 8.92 1dbzA1 VAL 123 HA 0.23 0.32 1.22 -0.75 4.13 5.15 1dbzA1 VAL 123 HB 0.24 -0.05 0.13 -0.04 2.12 2.40 1dbzA1 VAL 123 HG13 0.29 -0.00 -0.22 -0.04 0.97 1.00 1dbzA1 VAL 123 HG23 0.10 -0.01 -0.19 -0.04 0.95 0.82 1dbzA1 VAL 124 H 0.28 0.67 0.36 -0.55 8.24 9.01 1dbzA1 VAL 124 HA 0.19 0.15 0.94 -0.75 4.13 4.65 1dbzA1 VAL 124 HB 0.31 -0.01 0.19 -0.04 2.12 2.58 1dbzA1 VAL 124 HG13 0.27 -0.01 -0.14 -0.04 0.97 1.05 1dbzA1 VAL 124 HG23 0.27 0.00 -0.11 -0.04 0.95 1.08 1dbzA1 PHE 125 H 0.11 0.82 0.34 -0.55 8.34 9.06 1dbzA1 PHE 125 HA -0.04 0.22 1.12 -0.75 4.62 5.16 1dbzA1 PHE 125 HB2 -0.64 -0.04 -0.17 -0.04 3.15 2.25 1dbzA1 PHE 125 HB3 -0.87 0.02 0.12 -0.04 3.06 2.29 1dbzA1 PHE 125 HD2 -0.33 -0.03 -0.15 -0.04 7.28 6.73 1dbzA1 PHE 125 HE2 0.01 -0.01 -0.15 -0.04 7.38 7.19 1dbzA1 PHE 125 HZ 0.10 -0.01 -0.10 -0.04 7.32 7.27 1dbzA1 ASP 126 H -0.40 0.85 0.34 -0.55 8.40 8.64 1dbzA1 ASP 126 HA -0.23 0.12 0.71 -0.75 4.63 4.48 1dbzA1 ASP 126 HB2 -0.12 0.13 0.15 -0.04 2.71 2.83 1dbzA1 ASP 126 HB3 -0.21 -0.21 0.29 -0.04 2.70 2.52 1dbzA1 PRO 127 HA -0.36 0.02 0.36 -0.51 4.44 3.95 1dbzA1 PRO 127 HB2 0.04 0.01 -0.03 -0.04 2.28 2.26 1dbzA1 PRO 127 HB3 0.15 0.02 -0.04 -0.04 2.02 2.11 1dbzA1 PRO 127 HG2 -0.06 -0.15 0.16 -0.04 2.03 1.94 1dbzA1 PRO 127 HG3 -0.00 0.15 0.12 -0.04 2.03 2.25 1dbzA1 PRO 127 HD2 -0.16 0.10 0.37 -0.04 3.68 3.95 1dbzA1 PRO 127 HD3 -0.09 0.19 0.23 -0.04 3.65 3.94 1dbzA1 LEU 128 H -0.08 0.21 0.03 -0.55 8.37 7.99 1dbzA1 LEU 128 HA 0.05 0.20 0.74 -0.75 4.35 4.58 1dbzA1 LEU 128 HB2 0.00 0.05 0.07 -0.04 1.64 1.72 1dbzA1 LEU 128 HB3 0.03 -0.10 0.14 -0.04 1.64 1.67 1dbzA1 LEU 128 HG 0.04 -0.00 -0.41 -0.04 1.64 1.22 1dbzA1 LEU 128 HD13 0.02 0.00 -0.17 -0.04 0.93 0.74 1dbzA1 LEU 128 HD23 0.09 0.03 -0.00 -0.04 0.89 0.97 1dbzA1 ASP 129 H -0.00 -0.09 0.31 -0.55 8.40 8.07 1dbzA1 ASP 129 HA -0.06 0.23 0.69 -0.75 4.63 4.73 1dbzA1 ASP 129 HB2 -0.08 -0.08 0.19 -0.04 2.71 2.71 1dbzA1 ASP 129 HB3 -0.09 0.14 0.08 -0.04 2.70 2.79 1dbzA1 GLY 130 H -0.01 0.22 -0.21 -0.55 8.43 7.89 1dbzA1 GLY 130 HA2 -0.00 0.10 0.54 -0.51 4.01 4.14 1dbzA1 GLY 130 HA3 0.01 -0.01 0.30 -0.51 4.01 3.79 1dbzA1 SER 131 H 0.01 0.08 0.10 -0.55 8.46 8.11 1dbzA1 SER 131 HA 0.01 0.39 0.75 -0.75 4.49 4.88 1dbzA1 SER 131 HB2 0.01 0.05 0.05 -0.04 3.95 4.02 1dbzA1 SER 131 HB3 0.00 0.10 -0.13 -0.04 3.93 3.86 1dbzA1 SER 132 H 0.02 -0.01 -0.02 -0.55 8.46 7.90 1dbzA1 SER 132 HA 0.02 0.22 0.77 -0.75 4.49 4.74 1dbzA1 SER 132 HB2 0.03 0.11 0.07 -0.04 3.95 4.12 1dbzA1 SER 132 HB3 0.03 0.00 0.11 -0.04 3.93 4.03 1dbzA1 ASN 133 H 0.02 0.24 0.19 -0.55 8.53 8.43 1dbzA1 ASN 133 HA 0.02 0.15 0.38 -0.75 4.76 4.55 1dbzA1 ASN 133 HB2 0.01 0.01 0.11 -0.04 2.88 2.97 1dbzA1 ASN 133 HB3 0.01 0.10 0.02 -0.04 2.79 2.89 1dbzA1 ASN 133 HD21 0.01 -0.04 0.09 -0.04 7.03 7.05 1dbzA1 ASN 133 HD22 0.01 0.08 0.04 -0.04 7.74 7.82 1dbzA1 LEU 134 H 0.02 0.03 -0.06 -0.55 8.37 7.81 1dbzA1 LEU 134 HA 0.02 0.16 0.41 -0.75 4.35 4.19 1dbzA1 LEU 134 HB2 0.03 0.04 0.10 -0.04 1.64 1.76 1dbzA1 LEU 134 HB3 0.03 -0.10 0.07 -0.04 1.64 1.60 1dbzA1 LEU 134 HG 0.03 0.05 -0.27 -0.04 1.64 1.42 1dbzA1 LEU 134 HD13 0.03 0.02 0.04 -0.04 0.93 0.97 1dbzA1 LEU 134 HD23 0.05 -0.00 -0.03 -0.04 0.89 0.87 1dbzA1 ASP 135 H 0.03 -0.01 -0.29 -0.55 8.40 7.58 1dbzA1 ASP 135 HA 0.01 0.20 0.53 -0.75 4.63 4.62 1dbzA1 ASP 135 HB2 0.03 -0.04 -0.01 -0.04 2.71 2.65 1dbzA1 ASP 135 HB3 0.01 0.04 -0.15 -0.04 2.70 2.56 1dbzA1 ALA 136 H 0.02 0.20 -0.50 -0.55 8.40 7.57 1dbzA1 ALA 136 HA 0.02 0.41 0.84 -0.75 4.34 4.85 1dbzA1 ALA 136 HB3 0.02 -0.03 0.04 -0.04 1.41 1.40 1dbzA1 ALA 137 H 0.01 0.22 -0.50 -0.55 8.40 7.58 1dbzA1 ALA 137 HA 0.02 0.07 0.36 -0.75 4.34 4.04 1dbzA1 ALA 137 HB3 0.01 0.00 0.11 -0.04 1.41 1.49 1dbzA1 VAL 138 H 0.01 -0.03 -0.15 -0.55 8.24 7.53 1dbzA1 VAL 138 HA 0.02 0.29 0.99 -0.75 4.13 4.68 1dbzA1 VAL 138 HB 0.02 -0.03 0.06 -0.04 2.12 2.13 1dbzA1 VAL 138 HG13 0.01 0.01 -0.12 -0.04 0.97 0.82 1dbzA1 VAL 138 HG23 0.01 -0.01 -0.04 -0.04 0.95 0.86 1dbzA1 SER 139 H 0.02 0.10 0.04 -0.55 8.46 8.07 1dbzA1 SER 139 HA 0.06 0.45 0.72 -0.75 4.49 4.96 1dbzA1 SER 139 HB2 0.02 0.01 0.05 -0.04 3.95 3.98 1dbzA1 SER 139 HB3 0.02 0.03 -0.28 -0.04 3.93 3.66 1dbzA1 THR 140 H 0.07 0.58 0.34 -0.55 8.28 8.72 1dbzA1 THR 140 HA 0.01 -0.06 0.52 -0.75 4.39 4.10 1dbzA1 THR 140 HB 0.05 0.17 -0.05 -0.04 4.32 4.46 1dbzA1 THR 140 HG23 0.21 0.05 -0.12 -0.04 1.22 1.32 1dbzA1 GLY 141 H 0.05 0.02 0.34 -0.55 8.43 8.30 1dbzA1 GLY 141 HA2 -0.27 0.19 0.66 -0.51 4.01 4.08 1dbzA1 GLY 141 HA3 -0.16 0.03 0.47 -0.51 4.01 3.83 1dbzA1 SER 142 H -0.16 0.40 0.38 -0.55 8.46 8.53 1dbzA1 SER 142 HA -0.15 0.34 0.76 -0.75 4.49 4.69 1dbzA1 SER 142 HB2 0.16 -0.16 0.11 -0.04 3.95 4.02 1dbzA1 SER 142 HB3 -0.26 0.05 0.00 -0.04 3.93 3.69 1dbzA1 ILE 143 H -0.28 0.64 0.32 -0.55 8.25 8.37 1dbzA1 ILE 143 HA -0.10 0.21 1.15 -0.75 4.18 4.69 1dbzA1 ILE 143 HB -0.13 0.00 0.16 -0.04 1.89 1.89 1dbzA1 ILE 143 HG12 -0.18 0.01 -0.12 -0.04 1.49 1.16 1dbzA1 ILE 143 HG13 -0.14 -0.13 -0.67 -0.04 1.21 0.23 1dbzA1 ILE 143 HG23 -0.13 0.02 0.00 -0.04 0.93 0.79 1dbzA1 ILE 143 HD13 -0.16 -0.03 -0.07 -0.04 0.88 0.58 1dbzA1 PHE 144 H -0.42 0.65 0.39 -0.55 8.34 8.40 1dbzA1 PHE 144 HA 0.04 0.38 1.08 -0.75 4.62 5.37 1dbzA1 PHE 144 HB2 0.19 0.03 0.04 -0.04 3.15 3.37 1dbzA1 PHE 144 HB3 0.31 -0.04 -0.13 -0.04 3.06 3.16 1dbzA1 PHE 144 HD2 0.11 0.00 -0.37 -0.04 7.28 6.98 1dbzA1 PHE 144 HE2 -0.10 -0.00 -0.30 -0.04 7.38 6.94 1dbzA1 PHE 144 HZ -0.15 0.03 -0.19 -0.04 7.32 6.96 1dbzA1 GLY 145 H 0.27 0.55 0.41 -0.55 8.43 9.12 1dbzA1 GLY 145 HA2 -0.02 0.19 0.95 -0.51 4.01 4.62 1dbzA1 GLY 145 HA3 -0.06 0.03 0.41 -0.51 4.01 3.87 1dbzA1 ILE 146 H -0.13 0.68 0.36 -0.55 8.25 8.61 1dbzA1 ILE 146 HA 0.09 0.36 1.25 -0.75 4.18 5.13 1dbzA1 ILE 146 HB 0.06 -0.11 0.20 -0.04 1.89 1.99 1dbzA1 ILE 146 HG12 0.14 0.03 -0.17 -0.04 1.49 1.46 1dbzA1 ILE 146 HG13 0.27 -0.10 -0.43 -0.04 1.21 0.90 1dbzA1 ILE 146 HG23 0.11 0.01 -0.10 -0.04 0.93 0.91 1dbzA1 ILE 146 HD13 0.09 -0.01 -0.15 -0.04 0.88 0.77 1dbzA1 TYR 147 H 0.26 0.60 0.41 -0.55 8.29 9.01 1dbzA1 TYR 147 HA 0.04 0.38 1.17 -0.75 4.56 5.40 1dbzA1 TYR 147 HB2 0.04 -0.05 0.03 -0.04 3.06 3.04 1dbzA1 TYR 147 HB3 0.01 0.06 -0.03 -0.04 2.98 2.98 1dbzA1 TYR 147 HD2 0.02 0.04 -0.27 -0.04 7.15 6.89 1dbzA1 TYR 147 HE2 -0.01 -0.02 -0.15 -0.04 6.85 6.63 1dbzA1 SER 148 H 0.13 0.53 0.27 -0.55 8.46 8.84 1dbzA1 SER 148 HA -0.01 0.32 0.98 -0.75 4.49 5.03 1dbzA1 SER 148 HB2 0.08 -0.08 0.06 -0.04 3.95 3.97 1dbzA1 SER 148 HB3 0.02 -0.03 0.20 -0.04 3.93 4.08 1dbzA1 PRO 149 HA 0.01 0.04 0.48 -0.51 4.44 4.46 1dbzA1 ASN 150 H -0.00 0.12 0.13 -0.55 8.53 8.23 1dbzA1 ASN 150 HA -0.02 0.17 0.45 -0.75 4.76 4.61 1dbzA1 ASN 164 HA 0.02 0.00 0.21 -0.75 4.76 4.24 1dbzA1 ASN 164 HB2 0.02 0.01 0.05 -0.04 2.88 2.92 1dbzA1 ASN 164 HB3 0.02 -0.07 0.03 -0.04 2.79 2.74 1dbzA1 ASN 164 HD21 0.04 0.03 -0.10 -0.04 7.03 6.95 1dbzA1 ASN 164 HD22 0.03 -0.03 -0.07 -0.04 7.74 7.63 1dbzA1 THR 165 H 0.02 0.17 0.10 -0.55 8.28 8.02 1dbzA1 THR 165 HA 0.03 0.01 0.59 -0.75 4.39 4.26 1dbzA1 THR 165 HB 0.02 -0.03 0.09 -0.04 4.32 4.36 1dbzA1 THR 165 HG23 0.03 0.02 -0.05 -0.04 1.22 1.17 1dbzA1 LEU 166 H 0.03 0.75 0.46 -0.55 8.37 9.06 1dbzA1 LEU 166 HA 0.02 0.06 0.61 -0.75 4.35 4.29 1dbzA1 LEU 166 HB2 0.02 -0.01 0.02 -0.04 1.64 1.63 1dbzA1 LEU 166 HB3 0.02 -0.04 -0.00 -0.04 1.64 1.57 1dbzA1 LEU 166 HG 0.03 -0.23 0.13 -0.04 1.64 1.53 1dbzA1 LEU 166 HD13 0.03 0.01 -0.16 -0.04 0.93 0.77 1dbzA1 LEU 166 HD23 0.02 0.03 0.02 -0.04 0.89 0.93 1dbzA1 GLY 167 H 0.02 0.13 0.21 -0.55 8.43 8.24 1dbzA1 GLY 167 HA2 0.03 0.19 0.64 -0.51 4.01 4.36 1dbzA1 GLY 167 HA3 0.02 0.05 0.35 -0.51 4.01 3.92 1dbzA1 THR 168 H 0.03 0.21 0.15 -0.55 8.28 8.12 1dbzA1 THR 168 HA 0.03 0.06 0.35 -0.75 4.39 4.08 1dbzA1 THR 168 HB 0.02 -0.07 0.15 -0.04 4.32 4.38 1dbzA1 THR 168 HG23 0.02 0.02 -0.03 -0.04 1.22 1.19 1dbzA1 GLU 169 H 0.01 0.12 -0.09 -0.55 8.60 8.09 1dbzA1 GLU 169 HA 0.01 0.07 0.36 -0.75 4.29 3.97 1dbzA1 GLU 170 H 0.01 0.21 -0.14 -0.55 8.60 8.14 1dbzA1 GLU 170 HA 0.01 0.08 0.36 -0.75 4.29 3.98 1dbzA1 GLU 170 HB2 0.02 0.10 0.05 -0.04 2.09 2.21 1dbzA1 GLU 170 HB3 0.01 0.02 -0.02 -0.04 1.99 1.96 1dbzA1 GLU 170 HG2 0.02 0.05 0.04 -0.04 2.34 2.41 1dbzA1 GLU 170 HG3 0.01 0.04 0.00 -0.04 2.34 2.35 1dbzA1 GLN 171 H 0.01 0.42 -0.26 -0.55 8.47 8.09 1dbzA1 GLN 171 HA 0.00 0.03 0.37 -0.75 4.36 4.01 1dbzA1 GLN 171 HB2 0.01 0.16 0.09 -0.04 2.15 2.37 1dbzA1 GLN 171 HB3 -0.01 -0.12 -0.03 -0.04 2.02 1.83 1dbzA1 GLN 171 HG2 0.01 -0.02 -0.09 -0.04 2.40 2.26 1dbzA1 GLN 171 HG3 0.02 0.16 -0.32 -0.04 2.39 2.21 1dbzA1 GLN 171 HE21 0.08 -0.02 -0.03 -0.04 6.97 6.96 1dbzA1 GLN 171 HE22 0.04 0.03 -0.31 -0.04 7.69 7.40 1dbzA1 ARG 172 H 0.00 0.72 0.01 -0.55 8.46 8.65 1dbzA1 ARG 172 HA -0.01 -0.02 0.36 -0.75 4.34 3.91 1dbzA1 ARG 172 HB2 0.00 -0.02 0.05 -0.04 1.90 1.90 1dbzA1 ARG 172 HB3 -0.00 0.15 0.11 -0.04 1.80 2.02 1dbzA1 ARG 172 HG2 -0.00 -0.03 -0.02 -0.04 1.67 1.58 1dbzA1 ARG 172 HG3 -0.01 0.03 -0.04 -0.04 1.67 1.61 1dbzA1 ARG 172 HD2 -0.01 -0.05 0.04 -0.04 3.22 3.16 1dbzA1 ARG 172 HD3 0.00 -0.04 0.01 -0.04 3.22 3.15 1dbzA1 CYS 173 H -0.01 0.31 -0.69 -0.55 8.50 7.56 1dbzA1 CYS 173 HA -0.02 0.08 0.45 -0.75 4.58 4.34 1dbzA1 CYS 173 HB2 -0.00 0.02 0.04 -0.04 2.97 2.99 1dbzA1 CYS 173 HB3 -0.00 0.17 0.10 -0.04 2.97 3.20 1dbzA1 ILE 174 H -0.02 0.35 -0.07 -0.55 8.25 7.96 1dbzA1 ILE 174 HA -0.04 0.08 0.58 -0.75 4.18 4.04 1dbzA1 ILE 174 HB -0.02 0.04 0.14 -0.04 1.89 2.01 1dbzA1 ILE 174 HG12 0.00 -0.01 -0.02 -0.04 1.49 1.41 1dbzA1 ILE 174 HG13 -0.00 0.21 0.04 -0.04 1.21 1.42 1dbzA1 ILE 174 HG23 -0.04 -0.01 -0.12 -0.04 0.93 0.72 1dbzA1 ILE 174 HD13 0.02 -0.04 -0.12 -0.04 0.88 0.71 1dbzA1 VAL 175 H -0.05 0.42 -0.14 -0.55 8.24 7.92 1dbzA1 VAL 175 HA -0.12 0.07 0.37 -0.75 4.13 3.69 1dbzA1 VAL 175 HB -0.05 0.13 -0.18 -0.04 2.12 1.97 1dbzA1 VAL 175 HG13 -0.08 -0.02 -0.32 -0.04 0.97 0.52 1dbzA1 VAL 175 HG23 -0.06 0.04 -0.14 -0.04 0.95 0.75 1dbzA1 ASN 176 H -0.05 0.15 -0.49 -0.55 8.53 7.59 1dbzA1 ASN 176 HA -0.05 0.14 0.50 -0.75 4.76 4.59 1dbzA1 ASN 176 HB2 -0.03 0.08 0.00 -0.04 2.88 2.89 1dbzA1 ASN 176 HB3 -0.03 -0.04 0.02 -0.04 2.79 2.71 1dbzA1 ASN 176 HD21 -0.02 -0.09 -0.01 -0.04 7.03 6.87 1dbzA1 ASN 176 HD22 -0.02 -0.07 -0.01 -0.04 7.74 7.60 1dbzA1 VAL 177 H -0.07 0.09 -0.46 -0.55 8.24 7.25 1dbzA1 VAL 177 HA -0.04 0.09 0.63 -0.75 4.13 4.05 1dbzA1 VAL 177 HB -0.06 0.00 0.14 -0.04 2.12 2.16 1dbzA1 VAL 177 HG13 -0.02 -0.04 -0.21 -0.04 0.97 0.66 1dbzA1 VAL 177 HG23 -0.02 0.05 -0.00 -0.04 0.95 0.93 1dbzA1 CYS 178 H -0.18 0.67 0.02 -0.55 8.50 8.46 1dbzA1 CYS 178 HA -0.43 -0.00 0.57 -0.75 4.58 3.96 1dbzA1 CYS 178 HB2 -0.45 0.04 0.16 -0.04 2.97 2.69 1dbzA1 CYS 178 HB3 -1.57 -0.06 -0.02 -0.04 2.97 1.28 1dbzA1 GLN 179 H -0.05 0.21 -0.00 -0.55 8.47 8.08 1dbzA1 GLN 179 HA -0.06 0.26 0.76 -0.75 4.36 4.56 1dbzA1 GLN 179 HB2 -0.00 -0.13 0.16 -0.04 2.15 2.13 1dbzA1 GLN 179 HB3 -0.02 0.00 0.00 -0.04 2.02 1.97 1dbzA1 GLN 179 HG2 -0.05 0.09 -0.26 -0.04 2.40 2.14 1dbzA1 GLN 179 HG3 -0.06 0.02 -0.75 -0.04 2.39 1.56 1dbzA1 GLN 179 HE21 -0.02 -0.13 0.02 -0.04 6.97 6.80 1dbzA1 GLN 179 HE22 -0.03 0.58 0.05 -0.04 7.69 8.25 1dbzA1 PRO 180 HA 0.18 0.00 0.31 -0.51 4.44 4.43 1dbzA1 PRO 180 HB2 0.02 0.10 0.07 -0.04 2.28 2.43 1dbzA1 PRO 180 HB3 0.04 -0.01 0.01 -0.04 2.02 2.02 1dbzA1 PRO 180 HG2 -0.00 0.06 0.03 -0.04 2.03 2.07 1dbzA1 PRO 180 HG3 0.15 0.01 -0.01 -0.04 2.03 2.14 1dbzA1 PRO 180 HD2 -0.03 0.18 0.16 -0.04 3.68 3.95 1dbzA1 PRO 180 HD3 -0.10 0.32 -0.23 -0.04 3.65 3.59 1dbzA1 GLY 181 H 0.01 0.14 -0.26 -0.55 8.43 7.77 1dbzA1 GLY 181 HA2 0.00 0.04 0.48 -0.51 4.01 4.02 1dbzA1 GLY 181 HA3 0.01 0.16 0.38 -0.51 4.01 4.05 1dbzA1 SER 182 H 0.01 0.47 -0.31 -0.55 8.46 8.09 1dbzA1 SER 182 HA 0.01 0.17 0.83 -0.75 4.49 4.74 1dbzA1 SER 182 HB2 0.01 -0.02 0.02 -0.04 3.95 3.92 1dbzA1 SER 182 HB3 0.01 0.03 -0.12 -0.04 3.93 3.80 1dbzA1 ASN 183 H 0.06 0.48 0.19 -0.55 8.53 8.71 1dbzA1 ASN 183 HA 0.03 0.34 1.06 -0.75 4.76 5.43 1dbzA1 ASN 183 HB2 0.10 -0.13 0.24 -0.04 2.88 3.05 1dbzA1 ASN 183 HB3 0.04 0.07 0.06 -0.04 2.79 2.93 1dbzA1 ASN 183 HD21 -0.01 0.25 0.11 -0.04 7.03 7.33 1dbzA1 ASN 183 HD22 0.02 -0.05 0.06 -0.04 7.74 7.73 1dbzA1 LEU 184 H -0.06 0.26 -0.12 -0.55 8.37 7.90 1dbzA1 LEU 184 HA -0.44 0.07 0.67 -0.75 4.35 3.90 1dbzA1 LEU 184 HB2 -0.14 -0.15 0.04 -0.04 1.64 1.35 1dbzA1 LEU 184 HB3 -0.43 0.20 0.19 -0.04 1.64 1.57 1dbzA1 LEU 184 HG -0.79 0.03 -0.23 -0.04 1.64 0.61 1dbzA1 LEU 184 HD13 -0.71 0.01 -0.02 -0.04 0.93 0.17 1dbzA1 LEU 184 HD23 -0.27 -0.02 -0.10 -0.04 0.89 0.46 1dbzA1 LEU 185 H -0.15 0.63 0.45 -0.55 8.37 8.76 1dbzA1 LEU 185 HA -0.01 0.17 0.75 -0.75 4.35 4.51 1dbzA1 LEU 185 HB2 0.07 -0.03 0.14 -0.04 1.64 1.77 1dbzA1 LEU 185 HB3 0.10 -0.03 -0.04 -0.04 1.64 1.63 1dbzA1 LEU 185 HG 0.07 0.04 -0.02 -0.04 1.64 1.69 1dbzA1 LEU 185 HD13 0.27 -0.02 -0.05 -0.04 0.93 1.08 1dbzA1 LEU 185 HD23 0.07 0.02 -0.02 -0.04 0.89 0.92 1dbzA1 ALA 186 H -0.02 0.23 0.31 -0.55 8.40 8.37 1dbzA1 ALA 186 HA 0.31 0.24 0.70 -0.75 4.34 4.84 1dbzA1 ALA 186 HB3 0.17 -0.01 0.09 -0.04 1.41 1.62 1dbzA1 ALA 187 H 0.14 0.53 0.38 -0.55 8.40 8.91 1dbzA1 ALA 187 HA -0.14 0.10 0.61 -0.75 4.34 4.16 1dbzA1 ALA 187 HB3 0.03 0.02 0.08 -0.04 1.41 1.49 1dbzA1 GLY 188 H -0.92 0.62 0.40 -0.55 8.43 7.98 1dbzA1 GLY 188 HA2 -0.43 0.03 0.43 -0.51 4.01 3.52 1dbzA1 GLY 188 HA3 -0.78 0.14 0.60 -0.51 4.01 3.46 1dbzA1 TYR 189 H -0.77 0.57 0.43 -0.55 8.29 7.96 1dbzA1 TYR 189 HA -0.22 0.16 0.69 -0.75 4.56 4.43 1dbzA1 TYR 189 HB2 -0.19 0.11 0.17 -0.04 3.06 3.11 1dbzA1 TYR 189 HB3 -0.25 0.03 -0.04 -0.04 2.98 2.67 1dbzA1 TYR 189 HD2 -0.17 0.01 -0.34 -0.04 7.15 6.61 1dbzA1 TYR 189 HE2 0.03 0.01 -0.15 -0.04 6.85 6.70 1dbzA1 CYS 190 H 0.01 0.42 0.31 -0.55 8.50 8.69 1dbzA1 CYS 190 HA -0.12 0.35 1.20 -0.75 4.58 5.25 1dbzA1 CYS 190 HB2 0.25 -0.01 -0.09 -0.04 2.97 3.08 1dbzA1 CYS 190 HB3 -0.02 -0.08 0.18 -0.04 2.97 3.01 1dbzA1 MET 191 H -0.10 0.64 0.32 -0.55 8.47 8.79 1dbzA1 MET 191 HA -0.25 0.10 1.01 -0.75 4.52 4.63 1dbzA1 MET 191 HB2 -0.06 -0.01 -0.02 -0.04 2.15 2.02 1dbzA1 MET 191 HB3 -0.16 -0.06 0.15 -0.04 2.03 1.93 1dbzA1 MET 191 HG2 -0.05 0.04 -0.30 -0.04 2.63 2.27 1dbzA1 MET 191 HG3 -0.08 -0.05 -0.11 -0.04 2.56 2.28 1dbzA1 MET 191 HE3 -0.12 0.01 -0.10 -0.04 2.10 1.86 1dbzA1 TYR 192 H -0.15 0.65 0.41 -0.55 8.29 8.65 1dbzA1 TYR 192 HA 0.07 0.17 1.00 -0.75 4.56 5.04 1dbzA1 TYR 192 HB2 0.04 -0.09 0.16 -0.04 3.06 3.12 1dbzA1 TYR 192 HB3 0.05 0.09 0.06 -0.04 2.98 3.13 1dbzA1 TYR 192 HD2 0.08 -0.04 -0.15 -0.04 7.15 7.00 1dbzA1 TYR 192 HE2 0.13 0.10 -0.06 -0.04 6.85 6.97 1dbzA1 SER 193 H 0.09 0.70 0.17 -0.55 8.46 8.88 1dbzA1 SER 193 HA 0.07 0.36 0.92 -0.75 4.49 5.08 1dbzA1 SER 193 HB2 0.04 0.00 0.24 -0.04 3.95 4.20 1dbzA1 SER 193 HB3 0.03 -0.09 -0.07 -0.04 3.93 3.76 1dbzA1 SER 194 H 0.04 0.13 0.18 -0.55 8.46 8.27 1dbzA1 SER 194 HA 0.04 0.10 0.39 -0.75 4.49 4.26 1dbzA1 SER 194 HB2 0.03 0.02 0.15 -0.04 3.95 4.12 1dbzA1 SER 194 HB3 0.03 0.00 0.16 -0.04 3.93 4.09 1dbzA1 SER 195 H 0.06 0.01 -0.71 -0.55 8.46 7.27 1dbzA1 SER 195 HA 0.06 0.18 0.67 -0.75 4.49 4.64 1dbzA1 SER 195 HB2 0.05 0.06 -0.24 -0.04 3.95 3.78 1dbzA1 SER 195 HB3 0.06 -0.07 -0.11 -0.04 3.93 3.76 1dbzA1 VAL 196 H 0.10 0.22 0.14 -0.55 8.24 8.15 1dbzA1 VAL 196 HA 0.14 0.41 1.15 -0.75 4.13 5.07 1dbzA1 VAL 196 HB 0.16 -0.07 0.21 -0.04 2.12 2.39 1dbzA1 VAL 196 HG13 0.40 0.01 -0.12 -0.04 0.97 1.21 1dbzA1 VAL 196 HG23 0.18 0.01 -0.05 -0.04 0.95 1.05 1dbzA1 ILE 197 H 0.02 0.48 0.23 -0.55 8.25 8.43 1dbzA1 ILE 197 HA 0.14 0.23 0.99 -0.75 4.18 4.79 1dbzA1 ILE 197 HB -0.21 -0.10 0.04 -0.04 1.89 1.59 1dbzA1 ILE 197 HG12 -0.02 -0.02 -0.28 -0.04 1.49 1.13 1dbzA1 ILE 197 HG13 -0.06 0.03 -0.14 -0.04 1.21 1.00 1dbzA1 ILE 197 HG23 -0.06 0.01 -0.25 -0.04 0.93 0.60 1dbzA1 ILE 197 HD13 0.08 0.04 -0.25 -0.04 0.88 0.70 1dbzA1 PHE 198 H 0.09 0.60 0.29 -0.55 8.34 8.76 1dbzA1 PHE 198 HA -0.24 0.23 1.06 -0.75 4.62 4.92 1dbzA1 PHE 198 HB2 -1.12 -0.01 -0.03 -0.04 3.15 1.95 1dbzA1 PHE 198 HB3 -0.63 -0.04 0.20 -0.04 3.06 2.55 1dbzA1 PHE 198 HD2 -0.21 -0.05 -0.15 -0.04 7.28 6.83 1dbzA1 PHE 198 HE2 -0.04 -0.02 -0.22 -0.04 7.38 7.06 1dbzA1 PHE 198 HZ -0.01 0.01 -0.15 -0.04 7.32 7.12 1dbzA1 VAL 199 H -0.79 0.64 0.38 -0.55 8.24 7.92 1dbzA1 VAL 199 HA -0.24 0.31 1.17 -0.75 4.13 4.62 1dbzA1 VAL 199 HB -1.46 -0.08 0.11 -0.04 2.12 0.65 1dbzA1 VAL 199 HG13 -0.25 0.02 -0.22 -0.04 0.97 0.47 1dbzA1 VAL 199 HG23 -0.23 -0.02 -0.18 -0.04 0.95 0.48 1dbzA1 LEU 200 H -0.08 0.65 0.40 -0.55 8.37 8.80 1dbzA1 LEU 200 HA -0.17 0.25 1.05 -0.75 4.35 4.73 1dbzA1 LEU 200 HB2 0.06 -0.01 -0.27 -0.04 1.64 1.38 1dbzA1 LEU 200 HB3 0.21 -0.02 -0.02 -0.04 1.64 1.77 1dbzA1 LEU 200 HG 0.24 -0.01 -0.27 -0.04 1.64 1.56 1dbzA1 LEU 200 HD13 0.32 0.03 -0.11 -0.04 0.93 1.13 1dbzA1 LEU 200 HD23 0.31 -0.01 -0.15 -0.04 0.89 0.99 1dbzA1 THR 201 H 0.05 0.53 0.33 -0.55 8.28 8.64 1dbzA1 THR 201 HA 0.19 0.23 0.84 -0.75 4.39 4.90 1dbzA1 THR 201 HB -0.06 0.03 -0.00 -0.04 4.32 4.24 1dbzA1 THR 201 HG23 -0.10 0.03 -0.00 -0.04 1.22 1.11 1dbzA1 ILE 202 H 0.27 0.18 0.13 -0.55 8.25 8.28 1dbzA1 ILE 202 HA 0.21 0.20 1.02 -0.75 4.18 4.85 1dbzA1 ILE 202 HB 0.14 0.10 0.16 -0.04 1.89 2.24 1dbzA1 ILE 202 HG12 0.36 -0.06 0.01 -0.04 1.49 1.76 1dbzA1 ILE 202 HG13 0.19 0.01 -0.11 -0.04 1.21 1.25 1dbzA1 ILE 202 HG23 0.23 -0.02 -0.10 -0.04 0.93 0.99 1dbzA1 ILE 202 HD13 0.02 0.01 -0.07 -0.04 0.88 0.80 1dbzA1 GLY 203 H 0.12 -0.03 -0.11 -0.55 8.43 7.86 1dbzA1 GLY 203 HA2 0.19 0.05 0.30 -0.51 4.01 4.04 1dbzA1 GLY 203 HA3 0.19 0.30 0.89 -0.51 4.01 4.88 1dbzA1 LYS 204 H 0.16 -0.06 -0.03 -0.55 8.42 7.93 1dbzA1 LYS 204 HA 0.07 0.27 0.94 -0.75 4.32 4.84 1dbzA1 LYS 204 HB2 0.16 -0.06 0.05 -0.04 1.87 1.98 1dbzA1 LYS 204 HB3 0.12 0.00 0.19 -0.04 1.79 2.07 1dbzA1 LYS 204 HG2 0.07 0.16 -0.10 -0.04 1.46 1.55 1dbzA1 LYS 204 HG3 0.09 0.01 -0.36 -0.04 1.46 1.16 1dbzA1 LYS 204 HD2 0.06 -0.03 -0.02 -0.04 1.69 1.66 1dbzA1 LYS 204 HD3 0.06 -0.03 0.02 -0.04 1.68 1.69 1dbzA1 LYS 204 HE2 0.05 0.02 -0.00 -0.04 2.99 3.02 1dbzA1 LYS 204 HE3 0.05 0.05 -0.02 -0.04 2.99 3.03 1dbzA1 GLY 205 H -0.00 0.09 0.00 -0.55 8.43 7.98 1dbzA1 GLY 205 HA2 -0.08 0.28 0.39 -0.51 4.01 4.09 1dbzA1 GLY 205 HA3 -0.05 0.19 0.96 -0.51 4.01 4.59 1dbzA1 VAL 206 H -0.27 0.31 0.16 -0.55 8.24 7.89 1dbzA1 VAL 206 HA -0.06 0.28 1.15 -0.75 4.13 4.75 1dbzA1 VAL 206 HB -0.19 0.08 0.06 -0.04 2.12 2.03 1dbzA1 VAL 206 HG13 -0.13 -0.02 -0.24 -0.04 0.97 0.53 1dbzA1 VAL 206 HG23 -0.11 0.01 -0.25 -0.04 0.95 0.55 1dbzA1 PHE 207 H 0.07 0.75 0.40 -0.55 8.34 9.01 1dbzA1 PHE 207 HA -0.29 0.24 1.07 -0.75 4.62 4.89 1dbzA1 PHE 207 HB2 -0.36 -0.00 0.11 -0.04 3.15 2.85 1dbzA1 PHE 207 HB3 -0.92 0.00 0.01 -0.04 3.06 2.11 1dbzA1 PHE 207 HD2 -0.12 0.09 -0.06 -0.04 7.28 7.15 1dbzA1 PHE 207 HE2 0.20 0.07 -0.10 -0.04 7.38 7.51 1dbzA1 PHE 207 HZ 0.21 0.10 -0.01 -0.04 7.32 7.58 1dbzA1 VAL 208 H -0.33 0.57 0.32 -0.55 8.24 8.25 1dbzA1 VAL 208 HA -0.15 0.24 1.06 -0.75 4.13 4.52 1dbzA1 VAL 208 HB -0.15 -0.02 0.08 -0.04 2.12 1.99 1dbzA1 VAL 208 HG13 -0.01 -0.01 -0.20 -0.04 0.97 0.71 1dbzA1 VAL 208 HG23 -0.13 0.02 -0.21 -0.04 0.95 0.58 1dbzA1 PHE 209 H 0.12 0.73 0.31 -0.55 8.34 8.94 1dbzA1 PHE 209 HA 0.01 0.16 0.90 -0.75 4.62 4.94 1dbzA1 PHE 209 HB2 -0.12 0.02 0.12 -0.04 3.15 3.13 1dbzA1 PHE 209 HB3 0.06 -0.09 -0.29 -0.04 3.06 2.70 1dbzA1 PHE 209 HD2 -0.03 0.09 -0.27 -0.04 7.28 7.03 1dbzA1 PHE 209 HE2 -0.45 0.02 -0.19 -0.04 7.38 6.73 1dbzA1 PHE 209 HZ -2.28 0.03 -0.14 -0.04 7.32 4.89 1dbzA1 THR 210 H 0.17 0.55 0.28 -0.55 8.28 8.73 1dbzA1 THR 210 HA 0.23 0.16 0.82 -0.75 4.39 4.85 1dbzA1 THR 210 HB 0.11 0.02 0.11 -0.04 4.32 4.52 1dbzA1 THR 210 HG23 0.09 0.03 -0.08 -0.04 1.22 1.21 1dbzA1 LEU 211 H 0.25 0.56 0.34 -0.55 8.37 8.98 1dbzA1 LEU 211 HA -0.20 0.02 0.45 -0.75 4.35 3.87 1dbzA1 LEU 211 HB2 -0.25 0.00 0.02 -0.04 1.64 1.37 1dbzA1 LEU 211 HB3 0.03 -0.03 0.21 -0.04 1.64 1.81 1dbzA1 LEU 211 HG -0.18 0.01 -0.67 -0.04 1.64 0.75 1dbzA1 LEU 211 HD13 -0.71 -0.01 -0.28 -0.04 0.93 -0.11 1dbzA1 LEU 211 HD23 -0.07 0.00 -0.10 -0.04 0.89 0.68 1dbzA1 ASP 212 H -0.07 0.56 0.26 -0.55 8.40 8.60 1dbzA1 ASP 212 HA -0.03 0.18 0.68 -0.75 4.63 4.70 1dbzA1 ASP 212 HB2 0.05 0.12 0.15 -0.04 2.71 2.99 1dbzA1 ASP 212 HB3 0.02 -0.15 0.21 -0.04 2.70 2.74 1dbzA1 PRO 213 HA -0.09 0.10 0.36 -0.51 4.44 4.30 1dbzA1 PRO 213 HB2 -0.09 -0.01 0.08 -0.04 2.28 2.21 1dbzA1 PRO 213 HB3 -0.06 0.07 0.08 -0.04 2.02 2.07 1dbzA1 PRO 213 HG2 -0.03 0.05 0.12 -0.04 2.03 2.13 1dbzA1 PRO 213 HG3 -0.03 0.08 0.10 -0.04 2.03 2.15 1dbzA1 PRO 213 HD2 -0.07 0.02 0.27 -0.04 3.68 3.86 1dbzA1 PRO 213 HD3 -0.03 0.45 0.47 -0.04 3.65 4.49 1dbzA1 LEU 214 H -0.25 0.08 -0.13 -0.55 8.37 7.52 1dbzA1 LEU 214 HA -0.25 0.12 0.38 -0.75 4.35 3.85 1dbzA1 LEU 214 HB2 -1.26 -0.06 0.08 -0.04 1.64 0.36 1dbzA1 LEU 214 HB3 -0.67 0.05 0.03 -0.04 1.64 1.00 1dbzA1 LEU 214 HG -0.25 -0.05 0.09 -0.04 1.64 1.39 1dbzA1 LEU 214 HD13 -0.16 0.01 0.02 -0.04 0.93 0.76 1dbzA1 LEU 214 HD23 -0.13 0.01 -0.03 -0.04 0.89 0.69 1dbzA1 TYR 215 H -0.46 0.01 -0.15 -0.55 8.29 7.14 1dbzA1 TYR 215 HA -0.02 0.25 0.71 -0.75 4.56 4.73 1dbzA1 TYR 215 HB2 -0.02 -0.04 0.02 -0.04 3.06 2.97 1dbzA1 TYR 215 HB3 -0.02 0.03 0.09 -0.04 2.98 3.04 1dbzA1 TYR 215 HD2 -0.01 0.06 -0.08 -0.04 7.15 7.08 1dbzA1 TYR 215 HE2 -0.00 0.03 -0.05 -0.04 6.85 6.79 1dbzA1 GLY 216 H -0.09 0.31 -0.31 -0.55 8.43 7.79 1dbzA1 GLY 216 HA2 -0.12 0.04 0.24 -0.51 4.01 3.67 1dbzA1 GLY 216 HA3 -0.06 0.05 0.37 -0.51 4.01 3.86 1dbzA1 GLU 217 H -0.06 0.15 -0.09 -0.55 8.60 8.05 1dbzA1 GLU 217 HA -0.11 0.17 0.85 -0.75 4.29 4.44 1dbzA1 GLU 217 HB2 0.06 -0.03 -0.11 -0.04 2.09 1.98 1dbzA1 GLU 217 HB3 0.04 -0.03 -0.18 -0.04 1.99 1.78 1dbzA1 GLU 217 HG2 -0.00 0.22 -0.15 -0.04 2.34 2.36 1dbzA1 GLU 217 HG3 0.03 0.01 -0.07 -0.04 2.34 2.26 1dbzA1 PHE 218 H 0.00 0.13 0.11 -0.55 8.34 8.03 1dbzA1 PHE 218 HA 0.04 0.22 0.44 -0.75 4.62 4.56 1dbzA1 PHE 218 HB2 -0.21 -0.11 0.13 -0.04 3.15 2.93 1dbzA1 PHE 218 HB3 -0.04 0.01 -0.16 -0.04 3.06 2.83 1dbzA1 PHE 218 HD2 -0.10 -0.00 -0.32 -0.04 7.28 6.81 1dbzA1 PHE 218 HE2 -0.01 0.11 -0.12 -0.04 7.38 7.32 1dbzA1 PHE 218 HZ 0.13 0.01 -0.20 -0.04 7.32 7.22 1dbzA1 VAL 219 H 0.26 0.86 0.31 -0.55 8.24 9.11 1dbzA1 VAL 219 HA 0.20 0.11 1.00 -0.75 4.13 4.68 1dbzA1 VAL 219 HB 0.12 0.01 0.13 -0.04 2.12 2.35 1dbzA1 VAL 219 HG13 0.09 0.05 -0.20 -0.04 0.97 0.87 1dbzA1 VAL 219 HG23 0.11 0.02 -0.11 -0.04 0.95 0.93 1dbzA1 LEU 220 H 0.24 0.56 0.22 -0.55 8.37 8.83 1dbzA1 LEU 220 HA -0.40 0.02 0.43 -0.75 4.35 3.65 1dbzA1 LEU 220 HB2 0.03 -0.04 -0.01 -0.04 1.64 1.57 1dbzA1 LEU 220 HB3 0.05 0.03 0.18 -0.04 1.64 1.86 1dbzA1 LEU 220 HG -0.13 -0.02 -0.28 -0.04 1.64 1.17 1dbzA1 LEU 220 HD13 -0.83 0.05 -0.08 -0.04 0.93 0.03 1dbzA1 LEU 220 HD23 0.04 -0.01 -0.08 -0.04 0.89 0.81 1dbzA1 THR 221 H -0.18 0.52 0.57 -0.55 8.28 8.64 1dbzA1 THR 221 HA -0.02 0.22 1.04 -0.75 4.39 4.87 1dbzA1 THR 221 HB -0.01 -0.01 0.17 -0.04 4.32 4.43 1dbzA1 THR 221 HG23 0.04 0.06 0.00 -0.04 1.22 1.29 1dbzA1 GLN 222 H -0.23 0.21 0.18 -0.55 8.47 8.09 1dbzA1 GLN 222 HA -0.10 0.12 0.64 -0.75 4.36 4.26 1dbzA1 GLN 222 HB2 -0.11 0.16 -0.13 -0.04 2.15 2.03 1dbzA1 GLN 222 HB3 -0.16 -0.15 0.03 -0.04 2.02 1.69 1dbzA1 GLN 222 HG2 -0.19 -0.09 -0.18 -0.04 2.40 1.90 1dbzA1 GLN 222 HG3 -0.16 0.13 -0.15 -0.04 2.39 2.17 1dbzA1 GLN 222 HE21 -0.11 0.01 0.03 -0.04 6.97 6.85 1dbzA1 GLN 222 HE22 -0.13 0.12 -0.02 -0.04 7.69 7.63 1dbzA1 GLU 223 H -0.09 0.24 0.13 -0.55 8.60 8.33 1dbzA1 GLU 223 HA -0.23 0.09 0.89 -0.75 4.29 4.27 1dbzA1 GLU 223 HB2 0.01 0.05 0.05 -0.04 2.09 2.16 1dbzA1 GLU 223 HB3 0.19 0.04 0.01 -0.04 1.99 2.18 1dbzA1 GLU 223 HG2 0.28 -0.01 -0.11 -0.04 2.34 2.46 1dbzA1 GLU 223 HG3 0.06 -0.05 -0.13 -0.04 2.34 2.17 1dbzA1 ASN 224 H -1.40 0.08 0.09 -0.55 8.53 6.76 1dbzA1 ASN 224 HA -0.55 -0.07 0.41 -0.75 4.76 3.80 1dbzA1 ASN 224 HB2 -0.14 0.05 -0.03 -0.04 2.88 2.72 1dbzA1 ASN 224 HB3 -0.15 0.06 0.18 -0.04 2.79 2.84 1dbzA1 ASN 224 HD21 0.17 0.02 -0.01 -0.04 7.03 7.17 1dbzA1 ASN 224 HD22 0.00 -0.04 -0.18 -0.04 7.74 7.49 1dbzA1 LEU 225 H -0.39 0.59 0.06 -0.55 8.37 8.08 1dbzA1 LEU 225 HA -0.19 0.04 0.38 -0.75 4.35 3.82 1dbzA1 LEU 225 HB2 -0.24 -0.04 -0.05 -0.04 1.64 1.27 1dbzA1 LEU 225 HB3 -0.20 -0.08 -0.04 -0.04 1.64 1.28 1dbzA1 LEU 225 HG -0.19 0.01 -0.04 -0.04 1.64 1.39 1dbzA1 LEU 225 HD13 -0.19 -0.04 -0.19 -0.04 0.93 0.47 1dbzA1 LEU 225 HD23 -0.19 0.04 -0.33 -0.04 0.89 0.37 1dbzA1 GLN 226 H -0.14 0.16 0.21 -0.55 8.47 8.16 1dbzA1 GLN 226 HA -0.10 0.31 0.97 -0.75 4.36 4.78 1dbzA1 GLN 226 HB2 -0.09 -0.10 0.16 -0.04 2.15 2.09 1dbzA1 GLN 226 HB3 -0.07 0.03 -0.01 -0.04 2.02 1.92 1dbzA1 GLN 226 HG2 -0.10 0.20 -0.21 -0.04 2.40 2.25 1dbzA1 GLN 226 HG3 -0.07 -0.11 0.00 -0.04 2.39 2.18 1dbzA1 GLN 226 HE21 -0.07 -0.03 -0.06 -0.04 6.97 6.77 1dbzA1 GLN 226 HE22 -0.10 0.01 -0.11 -0.04 7.69 7.45 1dbzA1 ILE 227 H -0.09 0.58 0.19 -0.55 8.25 8.37 1dbzA1 ILE 227 HA -0.12 0.27 0.67 -0.75 4.18 4.24 1dbzA1 ILE 227 HB -0.13 -0.07 0.03 -0.04 1.89 1.69 1dbzA1 ILE 227 HG12 -0.06 0.07 -0.20 -0.04 1.49 1.26 1dbzA1 ILE 227 HG13 -0.12 0.19 0.05 -0.04 1.21 1.28 1dbzA1 ILE 227 HG23 -0.05 0.03 -0.26 -0.04 0.93 0.61 1dbzA1 ILE 227 HD13 -0.08 -0.06 -0.32 -0.04 0.88 0.38 1dbzA1 PRO 228 HA -0.03 0.01 0.43 -0.51 4.44 4.34 1dbzA1 PRO 228 HB2 -0.02 -0.07 -0.02 -0.04 2.28 2.12 1dbzA1 PRO 228 HB3 -0.02 0.01 0.16 -0.04 2.02 2.13 1dbzA1 PRO 228 HG2 -0.04 0.11 -0.14 -0.04 2.03 1.92 1dbzA1 PRO 228 HG3 -0.05 0.04 0.09 -0.04 2.03 2.07 1dbzA1 PRO 228 HD2 -0.08 0.01 0.00 -0.04 3.68 3.57 1dbzA1 PRO 228 HD3 -0.11 0.36 0.26 -0.04 3.65 4.13 1dbzA1 LYS 229 H -0.01 0.15 0.23 -0.55 8.42 8.23 1dbzA1 LYS 229 HA -0.00 0.10 0.61 -0.75 4.32 4.28 1dbzA1 LYS 229 HB2 -0.00 0.01 0.16 -0.04 1.87 2.00 1dbzA1 LYS 229 HB3 0.01 -0.07 0.17 -0.04 1.79 1.85 1dbzA1 LYS 229 HG2 -0.01 0.06 0.13 -0.04 1.46 1.60 1dbzA1 LYS 229 HG3 -0.00 -0.01 0.10 -0.04 1.46 1.51 1dbzA1 LYS 229 HD2 0.00 -0.10 0.13 -0.04 1.69 1.68 1dbzA1 LYS 229 HD3 -0.00 0.06 0.15 -0.04 1.68 1.85 1dbzA1 LYS 229 HE2 -0.01 0.10 0.09 -0.04 2.99 3.12 1dbzA1 LYS 229 HE3 -0.01 -0.06 0.06 -0.04 2.99 2.95 1dbzA1 SER 230 H 0.00 0.30 -0.23 -0.55 8.46 7.98 1dbzA1 SER 230 HA 0.04 -0.05 0.52 -0.75 4.49 4.25 1dbzA1 SER 230 HB2 0.03 0.01 0.00 -0.04 3.95 3.96 1dbzA1 SER 230 HB3 0.03 0.08 -0.18 -0.04 3.93 3.82 1dbzA1 GLY 231 H 0.03 0.25 0.16 -0.55 8.43 8.33 1dbzA1 GLY 231 HA2 -0.03 0.15 0.62 -0.51 4.01 4.23 1dbzA1 GLY 231 HA3 0.00 0.11 0.20 -0.51 4.01 3.81 1dbzA1 LYS 232 H -0.13 0.22 0.06 -0.55 8.42 8.01 1dbzA1 LYS 232 HA -0.78 0.15 0.66 -0.75 4.32 3.59 1dbzA1 LYS 232 HB2 -0.24 0.02 0.18 -0.04 1.87 1.80 1dbzA1 LYS 232 HB3 -0.57 0.04 0.22 -0.04 1.79 1.44 1dbzA1 LYS 232 HG2 -0.72 0.03 -0.04 -0.04 1.46 0.68 1dbzA1 LYS 232 HG3 -0.25 -0.08 -0.06 -0.04 1.46 1.02 1dbzA1 LYS 232 HD2 -0.10 -0.03 -0.02 -0.04 1.69 1.49 1dbzA1 LYS 232 HD3 -0.13 0.00 0.00 -0.04 1.68 1.51 1dbzA1 LYS 232 HE2 -0.15 0.10 -0.12 -0.04 2.99 2.78 1dbzA1 LYS 232 HE3 -0.12 -0.02 -0.06 -0.04 2.99 2.75 1dbzA1 ILE 233 H 0.05 0.42 -0.17 -0.55 8.25 8.01 1dbzA1 ILE 233 HA 0.12 0.29 1.03 -0.75 4.18 4.87 1dbzA1 ILE 233 HB 0.08 0.06 0.06 -0.04 1.89 2.05 1dbzA1 ILE 233 HG12 -0.01 0.01 -0.15 -0.04 1.49 1.30 1dbzA1 ILE 233 HG13 -0.02 -0.19 -0.70 -0.04 1.21 0.25 1dbzA1 ILE 233 HG23 0.04 -0.01 -0.19 -0.04 0.93 0.73 1dbzA1 ILE 233 HD13 0.01 0.05 -0.18 -0.04 0.88 0.72 1dbzA1 TYR 234 H 0.18 0.65 0.36 -0.55 8.29 8.93 1dbzA1 TYR 234 HA 0.29 0.22 1.11 -0.75 4.56 5.43 1dbzA1 TYR 234 HB2 0.38 -0.03 -0.01 -0.04 3.06 3.36 1dbzA1 TYR 234 HB3 0.24 0.02 -0.05 -0.04 2.98 3.15 1dbzA1 TYR 234 HD2 0.21 -0.02 -0.18 -0.04 7.15 7.12 1dbzA1 TYR 234 HE2 0.02 0.01 -0.22 -0.04 6.85 6.63 1dbzA1 SER 235 H 0.31 0.68 0.33 -0.55 8.46 9.24 1dbzA1 SER 235 HA 0.18 0.19 1.11 -0.75 4.49 5.22 1dbzA1 SER 235 HB2 0.22 0.05 0.02 -0.04 3.95 4.20 1dbzA1 SER 235 HB3 0.35 -0.11 0.34 -0.04 3.93 4.47 1dbzA1 PHE 236 H 0.19 0.33 0.13 -0.55 8.34 8.44 1dbzA1 PHE 236 HA -0.26 0.27 0.85 -0.75 4.62 4.72 1dbzA1 PHE 236 HB2 0.25 0.00 -0.15 -0.04 3.15 3.21 1dbzA1 PHE 236 HB3 0.20 -0.02 -0.17 -0.04 3.06 3.03 1dbzA1 PHE 236 HD2 -0.10 -0.07 -0.30 -0.04 7.28 6.77 1dbzA1 PHE 236 HE2 0.02 0.00 -0.17 -0.04 7.38 7.19 1dbzA1 PHE 236 HZ 0.21 0.02 -0.17 -0.04 7.32 7.34 1dbzA1 ASN 237 H -0.14 0.27 0.09 -0.55 8.53 8.20 1dbzA1 ASN 237 HA -0.45 0.17 0.70 -0.75 4.76 4.43 1dbzA1 ASN 237 HB2 -0.53 0.05 0.07 -0.04 2.88 2.42 1dbzA1 ASN 237 HB3 -0.13 0.04 0.23 -0.04 2.79 2.88 1dbzA1 ASN 237 HD21 0.03 0.04 -0.01 -0.04 7.03 7.04 1dbzA1 ASN 237 HD22 0.03 0.03 0.02 -0.04 7.74 7.78 1dbzA1 GLU 238 H -0.01 0.36 0.05 -0.55 8.60 8.45 1dbzA1 GLU 238 HA -0.19 0.10 0.33 -0.75 4.29 3.77 1dbzA1 GLU 238 HB2 -0.02 0.05 0.04 -0.04 2.09 2.11 1dbzA1 GLU 238 HB3 -0.10 0.03 0.09 -0.04 1.99 1.97 1dbzA1 GLU 238 HG2 0.33 -0.03 -0.11 -0.04 2.34 2.49 1dbzA1 GLU 238 HG3 0.19 0.06 -0.05 -0.04 2.34 2.51 1dbzA1 GLY 239 H -0.11 0.06 -0.52 -0.55 8.43 7.32 1dbzA1 GLY 239 HA2 -0.11 0.12 0.38 -0.51 4.01 3.89 1dbzA1 GLY 239 HA3 -0.09 0.04 0.27 -0.51 4.01 3.73 1dbzA1 ASN 240 H -0.33 0.38 -0.39 -0.55 8.53 7.64 1dbzA1 ASN 240 HA -0.29 0.15 0.56 -0.75 4.76 4.43 1dbzA1 ASN 240 HB2 -0.31 0.15 0.01 -0.04 2.88 2.69 1dbzA1 ASN 240 HB3 -0.29 -0.07 0.09 -0.04 2.79 2.49 1dbzA1 ASN 240 HD21 0.04 -0.02 -0.02 -0.04 7.03 6.99 1dbzA1 ASN 240 HD22 0.11 0.04 -0.01 -0.04 7.74 7.84 1dbzA1 TYR 241 H -0.52 0.60 -0.50 -0.55 8.29 7.32 1dbzA1 TYR 241 HA -1.59 0.01 0.30 -0.75 4.56 2.52 1dbzA1 TYR 241 HB2 -0.46 0.06 0.15 -0.04 3.06 2.76 1dbzA1 TYR 241 HB3 -0.32 0.02 0.07 -0.04 2.98 2.71 1dbzA1 TYR 241 HD2 -0.04 -0.03 -0.09 -0.04 7.15 6.95 1dbzA1 TYR 241 HE2 0.01 0.05 -0.01 -0.04 6.85 6.85 1dbzA1 LYS 242 H -0.22 0.16 -0.31 -0.55 8.42 7.49 1dbzA1 LYS 242 HA -0.25 0.18 0.55 -0.75 4.32 4.05 1dbzA1 LYS 242 HB2 -0.09 0.00 0.04 -0.04 1.87 1.78 1dbzA1 LYS 242 HB3 -0.07 0.02 0.13 -0.04 1.79 1.83 1dbzA1 LYS 242 HG2 0.03 0.04 -0.07 -0.04 1.46 1.42 1dbzA1 LYS 242 HG3 0.04 -0.02 -0.02 -0.04 1.46 1.42 1dbzA1 LYS 242 HD2 -0.01 -0.00 0.01 -0.04 1.69 1.64 1dbzA1 LYS 242 HD3 -0.01 0.01 0.01 -0.04 1.68 1.65 1dbzA1 LYS 242 HE2 0.07 0.01 -0.03 -0.04 2.99 3.00 1dbzA1 LYS 242 HE3 0.07 -0.00 -0.03 -0.04 2.99 2.99 1dbzA1 LEU 243 H -0.40 0.61 -0.37 -0.55 8.37 7.66 1dbzA1 LEU 243 HA -0.04 0.18 0.85 -0.75 4.35 4.57 1dbzA1 LEU 243 HB2 -0.10 0.13 0.06 -0.04 1.64 1.68 1dbzA1 LEU 243 HB3 0.02 -0.31 0.19 -0.04 1.64 1.51 1dbzA1 LEU 243 HG -0.16 0.00 -0.02 -0.04 1.64 1.42 1dbzA1 LEU 243 HD13 -0.02 -0.03 0.01 -0.04 0.93 0.86 1dbzA1 LEU 243 HD23 -0.05 0.02 -0.16 -0.04 0.89 0.66 1dbzA1 TRP 244 H -0.16 0.27 -0.14 -0.55 7.97 7.39 1dbzA1 TRP 244 HA -0.02 0.14 0.64 -0.75 4.62 4.63 1dbzA1 TRP 244 HB2 -0.20 0.18 0.07 -0.04 3.23 3.24 1dbzA1 TRP 244 HB3 -0.06 -0.10 0.08 -0.04 3.23 3.11 1dbzA1 TRP 244 HD1 0.01 0.03 -0.29 -0.04 7.22 6.93 1dbzA1 TRP 244 HE1 -0.02 -0.04 -0.17 -0.04 10.20 9.94 1dbzA1 TRP 244 HE3 -0.04 0.05 -0.13 -0.04 7.59 7.43 1dbzA1 TRP 244 HZ2 -0.01 -0.04 -0.13 -0.04 7.44 7.22 1dbzA1 TRP 244 HZ3 0.03 0.03 -0.12 -0.04 7.13 7.03 1dbzA1 TRP 244 HH2 0.05 -0.11 -0.41 -0.04 7.19 6.69 1dbzA1 ASP 245 H 0.15 0.11 0.17 -0.55 8.40 8.28 1dbzA1 ASP 245 HA 0.06 0.18 0.51 -0.75 4.63 4.62 1dbzA1 ASP 245 HB2 0.05 -0.10 0.14 -0.04 2.71 2.75 1dbzA1 ASP 245 HB3 0.04 -0.05 0.14 -0.04 2.70 2.79 1dbzA1 GLU 246 H 0.02 0.21 0.16 -0.55 8.60 8.45 1dbzA1 GLU 246 HA 0.00 0.11 0.36 -0.75 4.29 4.01 1dbzA1 GLU 246 HB2 0.02 0.02 0.09 -0.04 2.09 2.17 1dbzA1 GLU 246 HB3 0.02 0.05 0.05 -0.04 1.99 2.07 1dbzA1 GLU 246 HG2 0.00 -0.01 0.08 -0.04 2.34 2.37 1dbzA1 GLU 246 HG3 0.01 0.03 0.04 -0.04 2.34 2.37 1dbzA1 ASN 247 H 0.03 0.02 -0.29 -0.55 8.53 7.75 1dbzA1 ASN 247 HA 0.06 0.17 0.40 -0.75 4.76 4.63 1dbzA1 ASN 247 HB2 0.01 -0.19 0.05 -0.04 2.88 2.71 1dbzA1 ASN 247 HB3 0.02 0.32 -0.01 -0.04 2.79 3.08 1dbzA1 ASN 247 HD21 0.02 -0.01 0.00 -0.04 7.03 7.00 1dbzA1 ASN 247 HD22 0.02 0.17 0.05 -0.04 7.74 7.94 1dbzA1 LEU 248 H 0.02 0.05 -0.18 -0.55 8.37 7.71 1dbzA1 LEU 248 HA -0.04 0.08 0.39 -0.75 4.35 4.03 1dbzA1 LEU 248 HB2 -0.08 -0.01 0.09 -0.04 1.64 1.60 1dbzA1 LEU 248 HB3 0.01 0.08 0.05 -0.04 1.64 1.74 1dbzA1 LEU 248 HG -0.44 -0.02 -0.13 -0.04 1.64 1.01 1dbzA1 LEU 248 HD13 -0.14 0.00 -0.02 -0.04 0.93 0.73 1dbzA1 LEU 248 HD23 -0.76 -0.00 -0.03 -0.04 0.89 0.06 1dbzA1 LYS 249 H 0.05 0.55 -0.20 -0.55 8.42 8.27 1dbzA1 LYS 249 HA 0.18 -0.01 0.32 -0.75 4.32 4.05 1dbzA1 LYS 249 HB2 -0.01 0.06 0.07 -0.04 1.87 1.95 1dbzA1 LYS 249 HB3 -0.02 -0.02 -0.04 -0.04 1.79 1.67 1dbzA1 LYS 249 HG2 -0.73 0.01 -0.00 -0.04 1.46 0.69 1dbzA1 LYS 249 HG3 -0.10 0.17 -0.22 -0.04 1.46 1.27 1dbzA1 LYS 249 HD2 -0.12 -0.05 -0.08 -0.04 1.69 1.40 1dbzA1 LYS 249 HD3 -0.39 -0.06 -0.06 -0.04 1.68 1.13 1dbzA1 LYS 249 HE2 -0.48 0.13 0.02 -0.04 2.99 2.62 1dbzA1 LYS 249 HE3 -0.15 0.19 -0.13 -0.04 2.99 2.85 1dbzA1 LYS 250 H 0.08 0.44 -0.38 -0.55 8.42 8.00 1dbzA1 LYS 250 HA 0.08 -0.00 0.37 -0.75 4.32 4.00 1dbzA1 LYS 250 HB2 0.11 0.21 0.16 -0.04 1.87 2.31 1dbzA1 LYS 250 HB3 0.25 0.05 -0.04 -0.04 1.79 2.02 1dbzA1 LYS 250 HG2 0.07 -0.05 0.01 -0.04 1.46 1.45 1dbzA1 LYS 250 HG3 0.07 0.01 0.01 -0.04 1.46 1.51 1dbzA1 LYS 250 HD2 0.16 0.03 -0.03 -0.04 1.69 1.81 1dbzA1 LYS 250 HD3 0.10 -0.07 0.11 -0.04 1.68 1.78 1dbzA1 LYS 250 HE2 0.04 -0.02 -0.02 -0.04 2.99 2.95 1dbzA1 LYS 250 HE3 0.04 0.01 -0.01 -0.04 2.99 2.98 1dbzA1 TYR 251 H 0.05 0.35 -0.21 -0.55 8.29 7.93 1dbzA1 TYR 251 HA -1.03 0.05 0.45 -0.75 4.56 3.28 1dbzA1 TYR 251 HB2 -0.58 0.05 0.07 -0.04 3.06 2.56 1dbzA1 TYR 251 HB3 -0.36 0.08 0.19 -0.04 2.98 2.84 1dbzA1 TYR 251 HD2 -0.87 0.01 -0.08 -0.04 7.15 6.17 1dbzA1 TYR 251 HE2 -0.25 -0.02 -0.14 -0.04 6.85 6.40 1dbzA1 ILE 252 H -0.16 0.61 -0.05 -0.55 8.25 8.11 1dbzA1 ILE 252 HA -0.73 -0.03 0.24 -0.75 4.18 2.91 1dbzA1 ILE 252 HB 0.19 0.18 0.12 -0.04 1.89 2.35 1dbzA1 ILE 252 HG12 -0.13 0.19 -0.01 -0.04 1.49 1.50 1dbzA1 ILE 252 HG13 0.51 -0.08 -0.09 -0.04 1.21 1.51 1dbzA1 ILE 252 HG23 -0.01 -0.02 -0.14 -0.04 0.93 0.71 1dbzA1 ILE 252 HD13 -0.75 -0.03 -0.10 -0.04 0.88 -0.04 1dbzA1 ASP 253 H -0.08 0.48 -0.28 -0.55 8.40 7.97 1dbzA1 ASP 253 HA -0.13 -0.01 0.37 -0.75 4.63 4.10 1dbzA1 ASP 253 HB2 -0.01 0.11 0.11 -0.04 2.71 2.88 1dbzA1 ASP 253 HB3 -0.03 -0.04 -0.02 -0.04 2.70 2.56 1dbzA1 ASP 254 H -0.19 0.53 -0.16 -0.55 8.40 8.03 1dbzA1 ASP 254 HA -0.10 0.02 0.41 -0.75 4.63 4.20 1dbzA1 ASP 254 HB2 -0.17 0.12 0.13 -0.04 2.71 2.75 1dbzA1 ASP 254 HB3 -0.04 -0.06 0.09 -0.04 2.70 2.66 1dbzA1 LEU 255 H -0.50 0.34 -0.59 -0.55 8.37 7.07 1dbzA1 LEU 255 HA -0.69 0.07 0.52 -0.75 4.35 3.50 1dbzA1 LEU 255 HB2 -0.86 0.23 0.10 -0.04 1.64 1.07 1dbzA1 LEU 255 HB3 -0.97 -0.11 -0.01 -0.04 1.64 0.51 1dbzA1 LEU 255 HG -1.22 0.28 -0.10 -0.04 1.64 0.56 1dbzA1 LEU 255 HD13 -1.32 -0.04 -0.10 -0.04 0.93 -0.57 1dbzA1 LEU 255 HD23 -1.31 -0.02 -0.09 -0.04 0.89 -0.57 1dbzA1 LYS 256 H -0.25 0.34 -0.13 -0.55 8.42 7.83 1dbzA1 LYS 256 HA -0.03 0.01 0.41 -0.75 4.32 3.96 1dbzA1 LYS 256 HB2 -0.09 0.12 0.08 -0.04 1.87 1.93 1dbzA1 LYS 256 HB3 -0.04 -0.06 0.13 -0.04 1.79 1.78 1dbzA1 LYS 256 HG2 -0.07 -0.06 -0.03 -0.04 1.46 1.26 1dbzA1 LYS 256 HG3 -0.22 0.25 0.14 -0.04 1.46 1.59 1dbzA1 LYS 256 HD2 -0.13 -0.00 -0.01 -0.04 1.69 1.51 1dbzA1 LYS 256 HD3 -0.06 -0.03 0.00 -0.04 1.68 1.55 1dbzA1 LYS 256 HE2 0.02 -0.04 -0.05 -0.04 2.99 2.89 1dbzA1 LYS 256 HE3 -0.15 0.03 -0.12 -0.04 2.99 2.71 1dbzA1 GLU 257 H -0.09 0.20 -0.75 -0.55 8.60 7.41 1dbzA1 GLU 257 HA -0.02 0.07 0.45 -0.75 4.29 4.04 1dbzA1 GLU 257 HB2 -0.05 0.22 0.06 -0.04 2.09 2.29 1dbzA1 GLU 257 HB3 -0.01 -0.02 -0.14 -0.04 1.99 1.78 1dbzA1 GLU 257 HG2 -0.04 0.02 -0.07 -0.04 2.34 2.21 1dbzA1 GLU 257 HG3 -0.02 -0.05 -0.03 -0.04 2.34 2.20 1dbzA1 PRO 258 HA 0.04 -0.03 -0.27 -0.51 4.44 3.66 1dbzA1 PRO 258 HB2 0.01 -0.06 -0.06 -0.04 2.28 2.14 1dbzA1 PRO 258 HB3 0.01 0.09 -0.14 -0.04 2.02 1.95 1dbzA1 PRO 258 HG2 0.00 -0.01 0.08 -0.04 2.03 2.06 1dbzA1 PRO 258 HG3 0.00 0.02 0.06 -0.04 2.03 2.07 1dbzA1 PRO 258 HD2 -0.00 0.01 0.23 -0.04 3.68 3.87 1dbzA1 PRO 258 HD3 0.00 0.27 0.24 -0.04 3.65 4.12 1dbzA1 GLY 259 H 0.05 0.41 0.15 -0.55 8.43 8.51 1dbzA1 GLY 259 HA2 0.03 0.12 0.34 -0.51 4.01 3.99 1dbzA1 GLY 259 HA3 0.04 0.04 0.42 -0.51 4.01 4.01 1dbzA1 PRO 260 HA 0.01 0.10 0.37 -0.51 4.44 4.42 1dbzA1 SER 261 H 0.02 -0.05 -0.94 -0.55 8.46 6.93 1dbzA1 SER 261 HA 0.01 0.13 0.57 -0.75 4.49 4.44 1dbzA1 GLY 262 H 0.01 1.09 -0.17 -0.55 8.43 8.82 1dbzA1 GLY 262 HA2 0.01 0.07 0.22 -0.51 4.01 3.80 1dbzA1 GLY 262 HA3 0.01 0.04 0.51 -0.51 4.01 4.06 1dbzA1 LYS 263 H 0.02 0.04 -0.24 -0.55 8.42 7.69 1dbzA1 LYS 263 HA 0.02 0.24 0.87 -0.75 4.32 4.69 1dbzA1 LYS 263 HB2 0.00 0.07 -0.22 -0.04 1.87 1.68 1dbzA1 LYS 263 HB3 0.01 -0.15 0.00 -0.04 1.79 1.61 1dbzA1 LYS 263 HG2 0.01 0.32 -0.24 -0.04 1.46 1.51 1dbzA1 LYS 263 HG3 0.01 -0.00 0.00 -0.04 1.46 1.43 1dbzA1 LYS 263 HD2 -0.01 -0.03 -0.04 -0.04 1.69 1.57 1dbzA1 LYS 263 HD3 -0.02 -0.09 -0.04 -0.04 1.68 1.50 1dbzA1 LYS 263 HE2 -0.03 0.08 -0.02 -0.04 2.99 2.98 1dbzA1 LYS 263 HE3 -0.01 -0.01 -0.03 -0.04 2.99 2.90 1dbzA1 PRO 264 HA 0.11 0.18 0.31 -0.51 4.44 4.53 1dbzA1 PRO 264 HB2 0.08 0.01 0.07 -0.04 2.28 2.40 1dbzA1 PRO 264 HB3 0.04 0.15 -0.18 -0.04 2.02 1.98 1dbzA1 PRO 264 HG2 0.06 0.10 -0.07 -0.04 2.03 2.08 1dbzA1 PRO 264 HG3 0.04 0.00 0.04 -0.04 2.03 2.06 1dbzA1 PRO 264 HD2 0.03 0.08 0.18 -0.04 3.68 3.93 1dbzA1 PRO 264 HD3 0.03 0.13 0.03 -0.04 3.65 3.80 1dbzA1 TYR 265 H 0.28 0.38 0.11 -0.55 8.29 8.51 1dbzA1 TYR 265 HA 0.07 0.12 0.57 -0.75 4.56 4.56 1dbzA1 TYR 265 HB2 0.09 0.00 -0.01 -0.04 3.06 3.10 1dbzA1 TYR 265 HB3 0.37 0.00 -0.10 -0.04 2.98 3.20 1dbzA1 TYR 265 HD2 0.11 0.01 -0.17 -0.04 7.15 7.06 1dbzA1 TYR 265 HE2 0.04 0.00 -0.03 -0.04 6.85 6.82 1dbzA1 SER 266 H 0.12 0.58 0.36 -0.55 8.46 8.97 1dbzA1 SER 266 HA 0.05 0.13 0.83 -0.75 4.49 4.75 1dbzA1 SER 266 HB2 0.00 0.09 0.21 -0.04 3.95 4.21 1dbzA1 SER 266 HB3 -0.01 -0.03 -0.02 -0.04 3.93 3.82 1dbzA1 ALA 267 H -0.06 0.20 0.17 -0.55 8.40 8.16 1dbzA1 ALA 267 HA -0.57 0.29 1.02 -0.75 4.34 4.33 1dbzA1 ALA 267 HB3 -0.31 -0.00 0.06 -0.04 1.41 1.12 1dbzA1 ARG 268 H -0.10 0.52 0.20 -0.55 8.46 8.53 1dbzA1 ARG 268 HA 0.01 0.11 0.71 -0.75 4.34 4.42 1dbzA1 ARG 268 HB2 0.02 0.02 -0.04 -0.04 1.90 1.86 1dbzA1 ARG 268 HB3 0.02 -0.06 -0.10 -0.04 1.80 1.62 1dbzA1 ARG 268 HG2 -0.03 -0.01 -0.58 -0.04 1.67 1.01 1dbzA1 ARG 268 HG3 -0.02 0.02 -0.15 -0.04 1.67 1.47 1dbzA1 ARG 268 HD2 -0.01 -0.07 -0.02 -0.04 3.22 3.07 1dbzA1 ARG 268 HD3 -0.01 0.14 0.16 -0.04 3.22 3.46 1dbzA1 TYR 269 H 0.11 0.27 -0.01 -0.55 8.29 8.11 1dbzA1 TYR 269 HA 0.07 0.06 0.69 -0.75 4.56 4.63 1dbzA1 TYR 269 HB2 0.04 0.08 -0.20 -0.04 3.06 2.94 1dbzA1 TYR 269 HB3 0.04 0.03 0.06 -0.04 2.98 3.06 1dbzA1 TYR 269 HD2 0.08 0.06 -0.20 -0.04 7.15 7.05 1dbzA1 TYR 269 HE2 0.01 0.07 -0.11 -0.04 6.85 6.78 1dbzA1 ILE 270 H -0.14 0.14 0.02 -0.55 8.25 7.72 1dbzA1 ILE 270 HA -0.04 0.19 0.49 -0.75 4.18 4.07 1dbzA1 ILE 270 HB -0.12 -0.15 0.11 -0.04 1.89 1.70 1dbzA1 ILE 270 HG12 -0.02 0.09 -0.06 -0.04 1.49 1.47 1dbzA1 ILE 270 HG13 -0.03 -0.04 -0.08 -0.04 1.21 1.02 1dbzA1 ILE 270 HG23 -0.04 0.03 -0.03 -0.04 0.93 0.85 1dbzA1 ILE 270 HD13 -0.02 0.00 -0.24 -0.04 0.88 0.58 1dbzA1 GLY 271 H -0.57 0.06 -0.09 -0.55 8.43 7.28 1dbzA1 GLY 271 HA2 -0.36 0.01 0.24 -0.51 4.01 3.39 1dbzA1 GLY 271 HA3 -0.09 0.25 0.79 -0.51 4.01 4.46 1dbzA1 SER 272 H -0.14 0.04 -0.14 -0.55 8.46 7.67 1dbzA1 SER 272 HA -0.05 0.16 0.64 -0.75 4.49 4.49 1dbzA1 SER 272 HB2 -0.04 0.46 0.01 -0.04 3.95 4.34 1dbzA1 SER 272 HB3 -0.07 -0.08 0.06 -0.04 3.93 3.80 1dbzA1 LEU 273 H -0.06 0.30 0.13 -0.55 8.37 8.19 1dbzA1 LEU 273 HA -0.21 0.09 0.29 -0.75 4.35 3.77 1dbzA1 LEU 273 HB2 -0.03 0.07 0.10 -0.04 1.64 1.74 1dbzA1 LEU 273 HB3 -0.11 -0.01 0.14 -0.04 1.64 1.62 1dbzA1 LEU 273 HG -0.26 0.02 -0.30 -0.04 1.64 1.06 1dbzA1 LEU 273 HD13 -0.19 -0.00 -0.06 -0.04 0.93 0.64 1dbzA1 LEU 273 HD23 -0.12 0.02 -0.06 -0.04 0.89 0.69 1dbzA1 VAL 274 H -0.15 0.10 -0.14 -0.55 8.24 7.50 1dbzA1 VAL 274 HA -0.35 0.15 0.29 -0.75 4.13 3.47 1dbzA1 VAL 274 HB -0.15 -0.08 -0.18 -0.04 2.12 1.67 1dbzA1 VAL 274 HG13 -0.34 0.03 -0.27 -0.04 0.97 0.36 1dbzA1 VAL 274 HG23 -0.23 0.02 -0.19 -0.04 0.95 0.51 1dbzA1 GLY 275 H -0.10 -0.00 -0.42 -0.55 8.43 7.36 1dbzA1 GLY 275 HA2 -0.02 0.11 0.34 -0.51 4.01 3.93 1dbzA1 GLY 275 HA3 -0.05 0.03 0.17 -0.51 4.01 3.65 1dbzA1 ASP 276 H -0.14 0.72 -0.09 -0.55 8.40 8.35 1dbzA1 ASP 276 HA -0.05 0.06 0.42 -0.75 4.63 4.30 1dbzA1 ASP 276 HB2 -0.31 0.10 0.05 -0.04 2.71 2.51 1dbzA1 ASP 276 HB3 -0.07 0.07 -0.05 -0.04 2.70 2.61 1dbzA1 PHE 277 H -0.18 0.65 -0.18 -0.55 8.34 8.08 1dbzA1 PHE 277 HA -0.27 0.05 0.32 -0.75 4.62 3.96 1dbzA1 PHE 277 HB2 -0.41 0.01 0.03 -0.04 3.15 2.73 1dbzA1 PHE 277 HB3 -0.39 0.01 0.07 -0.04 3.06 2.71 1dbzA1 PHE 277 HD2 -0.31 -0.01 -0.17 -0.04 7.28 6.75 1dbzA1 PHE 277 HE2 0.05 -0.00 -0.17 -0.04 7.38 7.22 1dbzA1 PHE 277 HZ -0.02 0.04 -0.09 -0.04 7.32 7.21 1dbzA1 HIS 278 H -0.02 0.55 -0.25 -0.55 8.41 8.15 1dbzA1 HIS 278 HA -0.20 0.03 0.27 -0.75 4.63 3.98 1dbzA1 HIS 278 HB2 -0.04 0.09 0.07 -0.04 3.26 3.33 1dbzA1 HIS 278 HB3 -0.04 0.04 0.06 -0.04 3.20 3.21 1dbzA1 HIS 278 HD2 0.02 0.01 -0.17 -0.04 6.97 6.78 1dbzA1 HIS 278 HE1 -0.04 0.00 -0.14 -0.04 7.75 7.52 1dbzA1 ARG 279 H -0.01 0.44 -0.23 -0.55 8.46 8.10 1dbzA1 ARG 279 HA 0.01 0.02 0.39 -0.75 4.34 4.01 1dbzA1 ARG 279 HB2 0.07 -0.00 0.06 -0.04 1.90 1.99 1dbzA1 ARG 279 HB3 0.02 0.09 0.01 -0.04 1.80 1.88 1dbzA1 ARG 279 HG2 0.17 0.03 -0.13 -0.04 1.67 1.70 1dbzA1 ARG 279 HG3 0.15 -0.02 -0.01 -0.04 1.67 1.74 1dbzA1 ARG 279 HD2 -0.01 0.01 -0.10 -0.04 3.22 3.08 1dbzA1 ARG 279 HD3 0.02 -0.06 -0.09 -0.04 3.22 3.05 1dbzA1 THR 280 H -0.16 0.36 -0.50 -0.55 8.28 7.42 1dbzA1 THR 280 HA -0.03 0.18 0.22 -0.75 4.39 4.01 1dbzA1 THR 280 HB -0.29 0.16 0.00 -0.04 4.32 4.15 1dbzA1 THR 280 HG23 -0.02 -0.02 -0.39 -0.04 1.22 0.76 1dbzA1 LEU 281 H -0.46 0.43 -0.22 -0.55 8.37 7.57 1dbzA1 LEU 281 HA -0.32 0.01 0.29 -0.75 4.35 3.58 1dbzA1 LEU 281 HB2 -0.78 0.01 -0.02 -0.04 1.64 0.82 1dbzA1 LEU 281 HB3 -0.44 0.09 0.03 -0.04 1.64 1.28 1dbzA1 LEU 281 HG -0.24 0.04 -0.22 -0.04 1.64 1.18 1dbzA1 LEU 281 HD13 -0.23 -0.00 -0.13 -0.04 0.93 0.52 1dbzA1 LEU 281 HD23 -0.05 -0.03 -0.19 -0.04 0.89 0.58 1dbzA1 LEU 282 H -0.43 0.42 -0.21 -0.55 8.37 7.61 1dbzA1 LEU 282 HA -0.40 0.12 0.55 -0.75 4.35 3.87 1dbzA1 LEU 282 HB2 -0.79 -0.01 0.09 -0.04 1.64 0.89 1dbzA1 LEU 282 HB3 -1.02 -0.01 -0.07 -0.04 1.64 0.49 1dbzA1 LEU 282 HG -0.85 0.07 -0.06 -0.04 1.64 0.75 1dbzA1 LEU 282 HD13 -0.29 -0.02 -0.08 -0.04 0.93 0.49 1dbzA1 LEU 282 HD23 -0.34 -0.01 -0.12 -0.04 0.89 0.38 1dbzA1 TYR 283 H -0.17 0.55 0.01 -0.55 8.29 8.13 1dbzA1 TYR 283 HA -0.07 0.18 0.94 -0.75 4.56 4.84 1dbzA1 TYR 283 HB2 -0.06 0.11 0.05 -0.04 3.06 3.12 1dbzA1 TYR 283 HB3 -0.05 -0.07 0.11 -0.04 2.98 2.93 1dbzA1 TYR 283 HD2 -0.07 0.08 0.04 -0.04 7.15 7.16 1dbzA1 TYR 283 HE2 -0.04 -0.04 -0.04 -0.04 6.85 6.69 1dbzA1 GLY 284 H -0.07 0.33 -0.20 -0.55 8.43 7.95 1dbzA1 GLY 284 HA2 -0.03 0.09 0.31 -0.51 4.01 3.87 1dbzA1 GLY 284 HA3 0.00 0.07 0.52 -0.51 4.01 4.09 1dbzA1 GLY 285 H 0.04 0.04 0.16 -0.55 8.43 8.13 1dbzA1 GLY 285 HA2 0.11 0.18 0.48 -0.51 4.01 4.27 1dbzA1 GLY 285 HA3 0.11 0.27 0.96 -0.51 4.01 4.83 1dbzA1 ILE 286 H 0.24 0.59 0.39 -0.55 8.25 8.91 1dbzA1 ILE 286 HA 0.17 0.20 0.94 -0.75 4.18 4.73 1dbzA1 ILE 286 HB 0.23 -0.05 -0.23 -0.04 1.89 1.80 1dbzA1 ILE 286 HG12 0.20 0.06 -0.20 -0.04 1.49 1.51 1dbzA1 ILE 286 HG13 0.18 0.01 -0.17 -0.04 1.21 1.19 1dbzA1 ILE 286 HG23 0.48 0.01 -0.01 -0.04 0.93 1.37 1dbzA1 ILE 286 HD13 0.28 -0.00 -0.24 -0.04 0.88 0.88 1dbzA1 TYR 287 H 0.19 0.80 0.40 -0.55 8.29 9.13 1dbzA1 TYR 287 HA -0.09 0.17 1.01 -0.75 4.56 4.90 1dbzA1 TYR 287 HB2 0.04 0.03 -0.05 -0.04 3.06 3.03 1dbzA1 TYR 287 HB3 0.05 0.04 0.07 -0.04 2.98 3.10 1dbzA1 TYR 287 HD2 0.03 -0.00 -0.13 -0.04 7.15 7.01 1dbzA1 TYR 287 HE2 0.06 -0.08 -0.14 -0.04 6.85 6.65 1dbzA1 GLY 288 H -1.27 0.59 0.34 -0.55 8.43 7.54 1dbzA1 GLY 288 HA2 -0.70 0.44 1.10 -0.51 4.01 4.34 1dbzA1 GLY 288 HA3 -1.28 -0.03 0.30 -0.51 4.01 2.49 1dbzA1 TYR 289 H -0.51 0.65 0.25 -0.55 8.29 8.12 1dbzA1 TYR 289 HA -0.25 0.15 0.88 -0.75 4.56 4.59 1dbzA1 TYR 289 HB2 -0.21 0.00 -0.01 -0.04 3.06 2.81 1dbzA1 TYR 289 HB3 -0.14 -0.06 0.35 -0.04 2.98 3.09 1dbzA1 TYR 289 HD2 0.05 0.07 -0.06 -0.04 7.15 7.17 1dbzA1 TYR 289 HE2 0.11 0.02 -0.00 -0.04 6.85 6.94 1dbzA1 PRO 290 HA -0.12 0.06 0.46 -0.51 4.44 4.32 1dbzA1 PRO 290 HB2 -0.23 0.16 0.02 -0.04 2.28 2.19 1dbzA1 PRO 290 HB3 -0.08 0.02 0.03 -0.04 2.02 1.95 1dbzA1 PRO 290 HG2 -0.38 0.03 -0.13 -0.04 2.03 1.51 1dbzA1 PRO 290 HG3 -1.03 0.03 -0.07 -0.04 2.03 0.93 1dbzA1 PRO 290 HD2 -0.31 0.10 0.01 -0.04 3.68 3.44 1dbzA1 PRO 290 HD3 -0.38 0.10 -0.28 -0.04 3.65 3.05 1dbzA1 ARG 291 H 0.07 0.13 0.14 -0.55 8.46 8.25 1dbzA1 ARG 291 HA 0.13 -0.01 0.65 -0.75 4.34 4.35 1dbzA1 ARG 291 HB2 0.08 0.20 -0.06 -0.04 1.90 2.08 1dbzA1 ARG 291 HB3 0.08 -0.03 -0.12 -0.04 1.80 1.69 1dbzA1 ARG 291 HG2 0.09 -0.11 0.10 -0.04 1.67 1.71 1dbzA1 ARG 291 HG3 0.09 -0.03 -0.12 -0.04 1.67 1.56 1dbzA1 ARG 291 HD2 0.06 0.21 0.09 -0.04 3.22 3.53 1dbzA1 ARG 291 HD3 0.06 0.00 0.07 -0.04 3.22 3.31 1dbzA1 ASP 292 H 0.15 0.20 0.13 -0.55 8.40 8.34 1dbzA1 ASP 292 HA 0.26 0.31 0.75 -0.75 4.63 5.19 1dbzA1 ASP 292 HB2 0.15 -0.09 0.10 -0.04 2.71 2.83 1dbzA1 ASP 292 HB3 0.36 0.04 -0.16 -0.04 2.70 2.90 1dbzA1 LYS 293 H 0.09 0.27 0.18 -0.55 8.42 8.40 1dbzA1 LYS 293 HA 0.05 0.10 0.27 -0.75 4.32 3.99 1dbzA1 LYS 293 HB2 0.03 -0.11 0.21 -0.04 1.87 1.96 1dbzA1 LYS 293 HB3 0.03 0.01 0.01 -0.04 1.79 1.79 1dbzA1 LYS 293 HG2 0.03 0.14 0.09 -0.04 1.46 1.68 1dbzA1 LYS 293 HG3 0.01 0.00 0.05 -0.04 1.46 1.49 1dbzA1 LYS 293 HD2 0.03 -0.02 0.02 -0.04 1.69 1.67 1dbzA1 LYS 293 HD3 0.04 0.01 -0.04 -0.04 1.68 1.64 1dbzA1 LYS 293 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.92 1dbzA1 LYS 293 HE3 0.01 0.05 -0.02 -0.04 2.99 3.00 1dbzA1 LYS 294 H 0.05 0.02 -0.08 -0.55 8.42 7.86 1dbzA1 LYS 294 HA 0.03 0.11 0.35 -0.75 4.32 4.06 1dbzA1 LYS 294 HB2 0.05 -0.08 0.09 -0.04 1.87 1.89 1dbzA1 LYS 294 HB3 0.04 0.03 0.03 -0.04 1.79 1.85 1dbzA1 LYS 294 HG2 0.03 -0.05 0.07 -0.04 1.46 1.47 1dbzA1 LYS 294 HG3 0.03 0.02 0.03 -0.04 1.46 1.49 1dbzA1 LYS 294 HD2 0.02 0.02 0.00 -0.04 1.69 1.69 1dbzA1 LYS 294 HD3 0.02 0.04 -0.04 -0.04 1.68 1.66 1dbzA1 LYS 294 HE2 0.01 -0.04 -0.02 -0.04 2.99 2.90 1dbzA1 LYS 294 HE3 0.01 0.01 -0.00 -0.04 2.99 2.97 1dbzA1 SER 295 H 0.08 0.00 -0.20 -0.55 8.46 7.79 1dbzA1 SER 295 HA 0.05 0.15 0.64 -0.75 4.49 4.57 1dbzA1 SER 295 HB2 0.11 -0.14 0.21 -0.04 3.95 4.09 1dbzA1 SER 295 HB3 0.07 0.19 0.06 -0.04 3.93 4.21 1dbzA1 LYS 296 H 0.04 0.32 0.15 -0.55 8.42 8.37 1dbzA1 LYS 296 HA 0.05 0.18 0.40 -0.75 4.32 4.20 1dbzA1 LYS 296 HB2 0.03 0.12 0.12 -0.04 1.87 2.10 1dbzA1 LYS 296 HB3 0.03 -0.05 0.12 -0.04 1.79 1.85 1dbzA1 LYS 296 HG2 0.02 -0.01 0.05 -0.04 1.46 1.48 1dbzA1 LYS 296 HG3 0.03 0.01 0.10 -0.04 1.46 1.55 1dbzA1 LYS 296 HD2 0.02 0.01 0.04 -0.04 1.69 1.71 1dbzA1 LYS 296 HD3 0.01 -0.02 0.03 -0.04 1.68 1.66 1dbzA1 LYS 296 HE2 0.00 -0.01 0.01 -0.04 2.99 2.95 1dbzA1 LYS 296 HE3 0.01 -0.00 0.00 -0.04 2.99 2.95 1dbzA1 ASN 297 H 0.04 -0.05 -0.55 -0.55 8.53 7.43 1dbzA1 ASN 297 HA 0.03 0.29 1.03 -0.75 4.76 5.36 1dbzA1 ASN 297 HB2 0.02 -0.06 -0.05 -0.04 2.88 2.75 1dbzA1 ASN 297 HB3 0.01 0.06 -0.09 -0.04 2.79 2.73 1dbzA1 ASN 297 HD21 0.01 0.02 -0.08 -0.04 7.03 6.94 1dbzA1 ASN 297 HD22 0.02 -0.07 -0.11 -0.04 7.74 7.54 1dbzA1 GLY 298 H 0.07 0.16 -0.10 -0.55 8.43 8.01 1dbzA1 GLY 298 HA2 0.13 0.12 0.15 -0.51 4.01 3.89 1dbzA1 GLY 298 HA3 0.03 0.22 0.39 -0.51 4.01 4.14 1dbzA1 LYS 299 H -0.23 0.10 0.15 -0.55 8.42 7.89 1dbzA1 LYS 299 HA -0.08 0.24 1.00 -0.75 4.32 4.73 1dbzA1 LYS 299 HB2 -0.04 -0.00 -0.03 -0.04 1.87 1.76 1dbzA1 LYS 299 HB3 -1.12 -0.01 0.09 -0.04 1.79 0.71 1dbzA1 LYS 299 HG2 -0.15 -0.00 -0.04 -0.04 1.46 1.23 1dbzA1 LYS 299 HG3 -0.03 -0.01 0.04 -0.04 1.46 1.41 1dbzA1 LYS 299 HD2 0.10 0.00 -0.00 -0.04 1.69 1.75 1dbzA1 LYS 299 HD3 -0.31 0.01 -0.06 -0.04 1.68 1.28 1dbzA1 LYS 299 HE2 -0.03 -0.02 -0.01 -0.04 2.99 2.89 1dbzA1 LYS 299 HE3 0.02 -0.02 0.01 -0.04 2.99 2.97 1dbzA1 LEU 300 H -0.40 0.05 0.19 -0.55 8.37 7.66 1dbzA1 LEU 300 HA -0.16 -0.01 0.49 -0.75 4.35 3.92 1dbzA1 LEU 300 HB2 -0.12 0.17 0.13 -0.04 1.64 1.78 1dbzA1 LEU 300 HB3 -0.09 -0.00 0.02 -0.04 1.64 1.52 1dbzA1 LEU 300 HG -0.54 -0.07 0.14 -0.04 1.64 1.13 1dbzA1 LEU 300 HD13 0.12 0.01 -0.02 -0.04 0.93 1.00 1dbzA1 LEU 300 HD23 -0.13 -0.00 -0.00 -0.04 0.89 0.72 1dbzA1 ARG 301 H -0.03 0.05 0.21 -0.55 8.46 8.14 1dbzA1 ARG 301 HA -0.03 0.30 0.60 -0.75 4.34 4.45 1dbzA1 ARG 301 HB2 0.10 -0.14 0.12 -0.04 1.90 1.94 1dbzA1 ARG 301 HB3 -0.02 0.03 0.03 -0.04 1.80 1.80 1dbzA1 ARG 301 HG2 0.09 0.18 -0.09 -0.04 1.67 1.82 1dbzA1 ARG 301 HG3 0.07 -0.02 0.09 -0.04 1.67 1.76 1dbzA1 ARG 301 HD2 0.52 0.01 0.00 -0.04 3.22 3.71 1dbzA1 ARG 301 HD3 0.27 -0.02 0.02 -0.04 3.22 3.44 1dbzA1 LEU 302 H -0.09 0.87 0.26 -0.55 8.37 8.86 1dbzA1 LEU 302 HA -0.07 0.02 0.37 -0.75 4.35 3.91 1dbzA1 LEU 302 HB2 -0.06 0.06 -0.12 -0.04 1.64 1.48 1dbzA1 LEU 302 HB3 -0.12 -0.04 0.11 -0.04 1.64 1.55 1dbzA1 LEU 302 HG -0.08 0.02 -0.24 -0.04 1.64 1.30 1dbzA1 LEU 302 HD13 -0.03 0.02 -0.08 -0.04 0.93 0.79 1dbzA1 LEU 302 HD23 -0.05 0.02 -0.22 -0.04 0.89 0.60 1dbzA1 LEU 303 H -0.32 0.23 0.07 -0.55 8.37 7.80 1dbzA1 LEU 303 HA -0.14 0.11 0.35 -0.75 4.35 3.92 1dbzA1 LEU 303 HB2 -0.34 0.04 0.16 -0.04 1.64 1.46 1dbzA1 LEU 303 HB3 -0.94 -0.00 0.09 -0.04 1.64 0.75 1dbzA1 LEU 303 HG -0.14 -0.01 -0.18 -0.04 1.64 1.27 1dbzA1 LEU 303 HD13 -0.19 0.02 0.01 -0.04 0.93 0.73 1dbzA1 LEU 303 HD23 -0.22 -0.00 -0.06 -0.04 0.89 0.56 1dbzA1 TYR 304 H -0.53 0.04 -0.23 -0.55 8.29 7.02 1dbzA1 TYR 304 HA -0.00 0.20 0.55 -0.75 4.56 4.55 1dbzA1 TYR 304 HB2 -0.04 -0.06 -0.03 -0.04 3.06 2.89 1dbzA1 TYR 304 HB3 -0.04 0.04 -0.04 -0.04 2.98 2.91 1dbzA1 TYR 304 HD2 -0.00 0.02 -0.11 -0.04 7.15 7.02 1dbzA1 TYR 304 HE2 -0.10 -0.02 -0.16 -0.04 6.85 6.53 1dbzA1 GLU 305 H -0.02 0.21 -0.22 -0.55 8.60 8.02 1dbzA1 GLU 305 HA -0.07 0.24 0.98 -0.75 4.29 4.69 1dbzA1 GLU 305 HB2 -0.04 0.07 0.14 -0.04 2.09 2.22 1dbzA1 GLU 305 HB3 -0.09 -0.03 -0.07 -0.04 1.99 1.76 1dbzA1 GLU 305 HG2 -0.06 -0.03 -0.01 -0.04 2.34 2.19 1dbzA1 GLU 305 HG3 -0.03 0.13 -0.23 -0.04 2.34 2.17 1dbzA1 CYS 306 H -0.07 0.50 0.13 -0.55 8.50 8.51 1dbzA1 CYS 306 HA -0.10 -0.02 0.35 -0.75 4.58 4.05 1dbzA1 CYS 306 HB2 -0.05 0.09 0.08 -0.04 2.97 3.05 1dbzA1 CYS 306 HB3 -0.04 -0.03 -0.07 -0.04 2.97 2.80 1dbzA1 ALA 307 H -0.05 0.55 -0.12 -0.55 8.40 8.23 1dbzA1 ALA 307 HA -0.00 -0.01 0.27 -0.75 4.34 3.84 1dbzA1 ALA 307 HB3 0.01 0.05 -0.02 -0.04 1.41 1.42 1dbzA1 PRO 308 HA 0.02 0.06 0.42 -0.51 4.44 4.43 1dbzA1 PRO 308 HB2 -0.12 0.01 -0.02 -0.04 2.28 2.10 1dbzA1 PRO 308 HB3 -0.11 0.12 0.07 -0.04 2.02 2.06 1dbzA1 PRO 308 HG2 -0.02 0.15 -0.16 -0.04 2.03 1.97 1dbzA1 PRO 308 HG3 -0.01 0.00 -0.07 -0.04 2.03 1.91 1dbzA1 PRO 308 HD2 -0.06 0.16 -0.51 -0.04 3.68 3.23 1dbzA1 PRO 308 HD3 0.00 0.21 -0.14 -0.04 3.65 3.69 1dbzA1 MET 309 H -0.18 0.46 -0.30 -0.55 8.47 7.91 1dbzA1 MET 309 HA -0.40 -0.01 0.25 -0.75 4.52 3.61 1dbzA1 MET 309 HB2 -0.36 0.11 0.00 -0.04 2.15 1.87 1dbzA1 MET 309 HB3 -1.13 -0.08 -0.08 -0.04 2.03 0.70 1dbzA1 MET 309 HG2 -0.34 0.25 0.03 -0.04 2.63 2.53 1dbzA1 MET 309 HG3 -0.47 -0.10 -0.13 -0.04 2.56 1.82 1dbzA1 MET 309 HE3 -0.16 -0.00 -0.19 -0.04 2.10 1.70 1dbzA1 SER 310 H -0.06 0.57 -0.30 -0.55 8.46 8.12 1dbzA1 SER 310 HA 0.04 -0.03 0.36 -0.75 4.49 4.10 1dbzA1 SER 310 HB2 0.04 0.12 0.06 -0.04 3.95 4.13 1dbzA1 SER 310 HB3 0.06 -0.12 0.00 -0.04 3.93 3.83 1dbzA1 PHE 311 H 0.16 0.63 -0.13 -0.55 8.34 8.45 1dbzA1 PHE 311 HA 0.01 0.03 0.38 -0.75 4.62 4.29 1dbzA1 PHE 311 HB2 -0.02 0.04 0.05 -0.04 3.15 3.17 1dbzA1 PHE 311 HB3 -0.04 0.07 0.07 -0.04 3.06 3.12 1dbzA1 PHE 311 HD2 -0.02 -0.05 -0.12 -0.04 7.28 7.05 1dbzA1 PHE 311 HE2 0.01 0.02 -0.18 -0.04 7.38 7.19 1dbzA1 PHE 311 HZ 0.03 0.08 -0.08 -0.04 7.32 7.31 1dbzA1 ILE 312 H 0.05 0.50 -0.32 -0.55 8.25 7.94 1dbzA1 ILE 312 HA -0.17 0.02 0.24 -0.75 4.18 3.52 1dbzA1 ILE 312 HB 0.15 0.11 0.03 -0.04 1.89 2.13 1dbzA1 ILE 312 HG12 -0.05 -0.02 -0.19 -0.04 1.49 1.20 1dbzA1 ILE 312 HG13 0.02 0.28 -0.06 -0.04 1.21 1.40 1dbzA1 ILE 312 HG23 0.13 -0.02 -0.29 -0.04 0.93 0.71 1dbzA1 ILE 312 HD13 0.04 -0.05 -0.26 -0.04 0.88 0.57 1dbzA1 VAL 313 H 0.15 0.63 -0.13 -0.55 8.24 8.33 1dbzA1 VAL 313 HA 0.08 0.04 0.30 -0.75 4.13 3.79 1dbzA1 VAL 313 HB 0.39 0.07 0.02 -0.04 2.12 2.56 1dbzA1 VAL 313 HG13 0.10 0.04 -0.21 -0.04 0.97 0.86 1dbzA1 VAL 313 HG23 0.07 -0.04 -0.08 -0.04 0.95 0.86 1dbzA1 GLU 314 H 0.02 0.58 -0.37 -0.55 8.60 8.28 1dbzA1 GLU 314 HA 0.00 0.14 0.30 -0.75 4.29 3.98 1dbzA1 GLU 314 HB2 0.02 0.14 0.11 -0.04 2.09 2.32 1dbzA1 GLU 314 HB3 0.01 -0.01 0.02 -0.04 1.99 1.97 1dbzA1 GLU 314 HG2 0.04 0.10 0.07 -0.04 2.34 2.51 1dbzA1 GLU 314 HG3 0.06 -0.04 -0.00 -0.04 2.34 2.32 1dbzA1 GLN 315 H -0.15 0.38 -0.42 -0.55 8.47 7.73 1dbzA1 GLN 315 HA -0.12 0.09 0.56 -0.75 4.36 4.14 1dbzA1 GLN 315 HB2 -0.23 0.14 0.03 -0.04 2.15 2.05 1dbzA1 GLN 315 HB3 -0.17 -0.23 -0.04 -0.04 2.02 1.54 1dbzA1 GLN 315 HG2 -0.62 0.20 0.00 -0.04 2.40 1.94 1dbzA1 GLN 315 HG3 -0.74 -0.11 -0.08 -0.04 2.39 1.42 1dbzA1 GLN 315 HE21 -0.02 0.11 -0.01 -0.04 6.97 7.01 1dbzA1 GLN 315 HE22 -0.19 0.01 -0.07 -0.04 7.69 7.40 1dbzA1 ALA 316 H -0.07 0.33 -0.34 -0.55 8.40 7.77 1dbzA1 ALA 316 HA -0.11 0.30 0.76 -0.75 4.34 4.54 1dbzA1 ALA 316 HB3 -0.09 -0.05 0.02 -0.04 1.41 1.25 1dbzA1 GLY 317 H -0.05 0.21 -0.55 -0.55 8.43 7.49 1dbzA1 GLY 317 HA2 -0.03 0.05 0.29 -0.51 4.01 3.81 1dbzA1 GLY 317 HA3 -0.04 0.08 0.61 -0.51 4.01 4.15 1dbzA1 GLY 318 H -0.01 0.42 0.05 -0.55 8.43 8.34 1dbzA1 GLY 318 HA2 0.01 0.10 0.91 -0.51 4.01 4.51 1dbzA1 GLY 318 HA3 0.01 0.03 0.23 -0.51 4.01 3.77 1dbzA1 LYS 319 H 0.05 0.50 0.14 -0.55 8.42 8.55 1dbzA1 LYS 319 HA 0.04 0.14 0.80 -0.75 4.32 4.55 1dbzA1 LYS 319 HB2 0.03 0.05 -0.21 -0.04 1.87 1.69 1dbzA1 LYS 319 HB3 0.04 0.00 -0.05 -0.04 1.79 1.74 1dbzA1 LYS 319 HG2 0.04 -0.06 -0.28 -0.04 1.46 1.12 1dbzA1 LYS 319 HG3 0.03 0.00 -0.01 -0.04 1.46 1.45 1dbzA1 LYS 319 HD2 0.02 0.04 -0.08 -0.04 1.69 1.63 1dbzA1 LYS 319 HD3 0.02 -0.01 -0.14 -0.04 1.68 1.51 1dbzA1 LYS 319 HE2 0.01 -0.05 -0.20 -0.04 2.99 2.71 1dbzA1 LYS 319 HE3 0.02 -0.00 -0.10 -0.04 2.99 2.86 1dbzA1 GLY 320 H 0.06 0.22 0.12 -0.55 8.43 8.27 1dbzA1 GLY 320 HA2 0.09 0.25 1.07 -0.51 4.01 4.91 1dbzA1 GLY 320 HA3 0.07 -0.02 0.34 -0.51 4.01 3.89 1dbzA1 SER 321 H 0.11 0.81 0.32 -0.55 8.46 9.15 1dbzA1 SER 321 HA 0.06 0.23 1.00 -0.75 4.49 5.03 1dbzA1 SER 321 HB2 0.03 0.04 -0.26 -0.04 3.95 3.72 1dbzA1 SER 321 HB3 0.06 0.10 -0.06 -0.04 3.93 3.99 1dbzA1 ASP 322 H 0.09 0.39 0.20 -0.55 8.40 8.52 1dbzA1 ASP 322 HA 0.16 0.38 0.69 -0.75 4.63 5.11 1dbzA1 ASP 322 HB2 0.10 0.08 0.20 -0.04 2.71 3.04 1dbzA1 ASP 322 HB3 0.07 0.03 0.02 -0.04 2.70 2.78 1dbzA1 GLY 323 H 0.07 0.07 -0.28 -0.55 8.43 7.74 1dbzA1 GLY 323 HA2 -0.45 0.03 0.17 -0.51 4.01 3.26 1dbzA1 GLY 323 HA3 -0.12 0.25 0.81 -0.51 4.01 4.44 1dbzA1 HIS 324 H 0.12 -0.08 -0.23 -0.55 8.41 7.67 1dbzA1 HIS 324 HA -0.04 0.26 0.85 -0.75 4.63 4.95 1dbzA1 HIS 324 HB2 -0.00 -0.02 -0.04 -0.04 3.26 3.15 1dbzA1 HIS 324 HB3 -0.01 0.03 -0.04 -0.04 3.20 3.14 1dbzA1 HIS 324 HD2 -0.02 -0.03 -0.07 -0.04 6.97 6.81 1dbzA1 HIS 324 HE1 -0.02 -0.03 -0.04 -0.04 7.75 7.61 1dbzA1 GLN 325 H 0.09 -0.06 0.11 -0.55 8.47 8.07 1dbzA1 GLN 325 HA 0.04 0.25 0.79 -0.75 4.36 4.69 1dbzA1 GLN 325 HB2 0.03 0.02 0.11 -0.04 2.15 2.27 1dbzA1 GLN 325 HB3 0.05 0.07 -0.14 -0.04 2.02 1.95 1dbzA1 GLN 325 HG2 0.06 -0.14 -0.05 -0.04 2.40 2.23 1dbzA1 GLN 325 HG3 0.04 0.12 -0.28 -0.04 2.39 2.23 1dbzA1 GLN 325 HE21 0.01 0.03 -0.04 -0.04 6.97 6.93 1dbzA1 GLN 325 HE22 0.02 -0.05 -0.06 -0.04 7.69 7.56 1dbzA1 ARG 326 H 0.03 0.18 0.13 -0.55 8.46 8.24 1dbzA1 ARG 326 HA 0.04 0.17 0.54 -0.75 4.34 4.33 1dbzA1 ARG 326 HB2 0.03 0.06 0.13 -0.04 1.90 2.08 1dbzA1 ARG 326 HB3 0.03 -0.01 0.07 -0.04 1.80 1.86 1dbzA1 ARG 326 HG2 0.04 -0.26 -0.02 -0.04 1.67 1.40 1dbzA1 ARG 326 HG3 0.04 0.06 0.11 -0.04 1.67 1.84 1dbzA1 ARG 326 HD2 0.04 0.04 0.01 -0.04 3.22 3.26 1dbzA1 ARG 326 HD3 0.03 0.02 -0.03 -0.04 3.22 3.21 1dbzA1 VAL 327 H 0.04 0.52 0.31 -0.55 8.24 8.57 1dbzA1 VAL 327 HA 0.03 0.12 0.48 -0.75 4.13 4.00 1dbzA1 VAL 327 HB 0.03 0.02 0.01 -0.04 2.12 2.14 1dbzA1 VAL 327 HG13 0.00 0.00 -0.22 -0.04 0.97 0.71 1dbzA1 VAL 327 HG23 0.04 0.03 -0.27 -0.04 0.95 0.71 1dbzA1 LEU 328 H 0.04 0.10 -0.10 -0.55 8.37 7.87 1dbzA1 LEU 328 HA 0.02 0.16 0.47 -0.75 4.35 4.24 1dbzA1 LEU 328 HB2 0.06 -0.00 -0.02 -0.04 1.64 1.63 1dbzA1 LEU 328 HB3 0.04 0.08 0.01 -0.04 1.64 1.72 1dbzA1 LEU 328 HG 0.08 -0.10 -0.10 -0.04 1.64 1.48 1dbzA1 LEU 328 HD13 0.17 0.03 -0.10 -0.04 0.93 0.99 1dbzA1 LEU 328 HD23 0.03 0.04 -0.14 -0.04 0.89 0.78 1dbzA1 ASP 329 H 0.02 0.15 -0.89 -0.55 8.40 7.14 1dbzA1 ASP 329 HA 0.01 0.21 0.76 -0.75 4.63 4.86 1dbzA1 ASP 329 HB2 0.02 0.02 0.00 -0.04 2.71 2.71 1dbzA1 ASP 329 HB3 0.02 -0.00 0.14 -0.04 2.70 2.82 1dbzA1 ILE 330 H 0.01 0.33 -0.38 -0.55 8.25 7.66 1dbzA1 ILE 330 HA -0.00 0.13 0.79 -0.75 4.18 4.34 1dbzA1 ILE 330 HB -0.01 0.10 0.06 -0.04 1.89 2.00 1dbzA1 ILE 330 HG12 0.01 0.01 -0.12 -0.04 1.49 1.34 1dbzA1 ILE 330 HG13 0.02 0.04 -0.15 -0.04 1.21 1.07 1dbzA1 ILE 330 HG23 -0.01 -0.01 -0.16 -0.04 0.93 0.71 1dbzA1 ILE 330 HD13 0.02 -0.03 -0.06 -0.04 0.88 0.77 1dbzA1 GLN 331 H -0.02 0.20 0.08 -0.55 8.47 8.19 1dbzA1 GLN 331 HA -0.04 0.18 0.85 -0.75 4.36 4.60 1dbzA1 GLN 331 HB2 -0.02 -0.02 -0.09 -0.04 2.15 1.98 1dbzA1 GLN 331 HB3 -0.02 -0.05 0.08 -0.04 2.02 1.98 1dbzA1 GLN 331 HG2 -0.03 -0.07 -0.03 -0.04 2.40 2.23 1dbzA1 GLN 331 HG3 -0.04 0.24 -0.13 -0.04 2.39 2.42 1dbzA1 GLN 331 HE21 -0.09 0.27 0.10 -0.04 6.97 7.22 1dbzA1 GLN 331 HE22 -0.06 0.01 0.02 -0.04 7.69 7.62 1dbzA1 PRO 332 HA -0.05 0.01 0.52 -0.51 4.44 4.41 1dbzA1 PRO 332 HB2 -0.10 0.02 -0.02 -0.04 2.28 2.14 1dbzA1 PRO 332 HB3 -0.10 0.08 0.24 -0.04 2.02 2.19 1dbzA1 PRO 332 HG2 -0.14 0.02 0.10 -0.04 2.03 1.98 1dbzA1 PRO 332 HG3 -0.10 -0.04 0.03 -0.04 2.03 1.88 1dbzA1 PRO 332 HD2 -0.08 0.26 0.23 -0.04 3.68 4.05 1dbzA1 PRO 332 HD3 -0.06 0.20 0.22 -0.04 3.65 3.97 1dbzA1 THR 333 H -0.03 0.06 0.24 -0.55 8.28 7.99 1dbzA1 THR 333 HA -0.03 0.26 0.76 -0.75 4.39 4.63 1dbzA1 THR 333 HB -0.01 -0.01 0.15 -0.04 4.32 4.41 1dbzA1 THR 333 HG23 -0.02 0.04 -0.14 -0.04 1.22 1.06 1dbzA1 GLU 334 H -0.04 0.34 0.21 -0.55 8.60 8.56 1dbzA1 GLU 334 HA -0.01 0.13 0.49 -0.75 4.29 4.14 1dbzA1 GLU 334 HB2 0.01 0.14 -0.27 -0.04 2.09 1.92 1dbzA1 GLU 334 HB3 0.01 -0.07 -0.07 -0.04 1.99 1.82 1dbzA1 GLU 334 HG2 0.04 0.03 0.11 -0.04 2.34 2.48 1dbzA1 GLU 334 HG3 0.04 0.08 -0.00 -0.04 2.34 2.41 1dbzA1 ILE 335 H -0.05 0.17 0.09 -0.55 8.25 7.91 1dbzA1 ILE 335 HA -0.17 0.23 0.75 -0.75 4.18 4.23 1dbzA1 ILE 335 HB -0.00 0.03 -0.11 -0.04 1.89 1.77 1dbzA1 ILE 335 HG12 -0.07 -0.01 0.04 -0.04 1.49 1.41 1dbzA1 ILE 335 HG13 -0.26 -0.05 0.06 -0.04 1.21 0.92 1dbzA1 ILE 335 HG23 -0.09 0.02 -0.03 -0.04 0.93 0.79 1dbzA1 ILE 335 HD13 -0.03 0.03 -0.02 -0.04 0.88 0.82 1dbzA1 HIS 336 H -0.04 0.08 -0.02 -0.55 8.41 7.88 1dbzA1 HIS 336 HA 0.15 0.12 0.48 -0.75 4.63 4.62 1dbzA1 HIS 336 HB2 0.04 -0.01 0.04 -0.04 3.26 3.30 1dbzA1 HIS 336 HB3 0.05 0.02 0.16 -0.04 3.20 3.38 1dbzA1 HIS 336 HD2 0.14 0.00 0.00 -0.04 6.97 7.07 1dbzA1 HIS 336 HE1 0.03 0.06 -0.02 -0.04 7.75 7.78 1dbzA1 GLN 337 H -0.05 0.12 -1.16 -0.55 8.47 6.84 1dbzA1 GLN 337 HA 0.01 0.03 0.34 -0.75 4.36 3.98 1dbzA1 GLN 337 HB2 -0.04 -0.00 0.08 -0.04 2.15 2.15 1dbzA1 GLN 337 HB3 -0.08 -0.05 0.10 -0.04 2.02 1.95 1dbzA1 GLN 337 HG2 -0.03 0.11 -0.21 -0.04 2.40 2.22 1dbzA1 GLN 337 HG3 -0.01 0.01 0.06 -0.04 2.39 2.41 1dbzA1 GLN 337 HE21 -0.03 0.12 -0.16 -0.04 6.97 6.86 1dbzA1 GLN 337 HE22 -0.03 0.06 -0.12 -0.04 7.69 7.56 1dbzA1 ARG 338 H -0.00 0.14 0.18 -0.55 8.46 8.23 1dbzA1 ARG 338 HA -0.03 0.12 0.86 -0.75 4.34 4.54 1dbzA1 ARG 338 HB2 -0.00 -0.06 -0.15 -0.04 1.90 1.65 1dbzA1 ARG 338 HB3 -0.03 0.04 -0.47 -0.04 1.80 1.30 1dbzA1 ARG 338 HG2 0.00 -0.01 -0.33 -0.04 1.67 1.29 1dbzA1 ARG 338 HG3 0.02 0.03 -0.11 -0.04 1.67 1.57 1dbzA1 ARG 338 HD2 0.00 -0.03 -0.06 -0.04 3.22 3.09 1dbzA1 ARG 338 HD3 -0.02 0.08 -0.04 -0.04 3.22 3.19 1dbzA1 VAL 339 H -0.04 0.57 0.16 -0.55 8.24 8.38 1dbzA1 VAL 339 HA 0.01 0.20 0.69 -0.75 4.13 4.27 1dbzA1 VAL 339 HB -0.02 -0.06 -0.40 -0.04 2.12 1.60 1dbzA1 VAL 339 HG13 -0.02 0.01 -0.22 -0.04 0.97 0.70 1dbzA1 VAL 339 HG23 0.02 0.02 0.08 -0.04 0.95 1.03 1dbzA1 PRO 340 HA -0.02 0.18 0.70 -0.51 4.44 4.80 1dbzA1 PRO 340 HB2 0.15 0.16 0.07 -0.04 2.28 2.61 1dbzA1 PRO 340 HB3 0.05 -0.15 0.08 -0.04 2.02 1.96 1dbzA1 PRO 340 HG2 0.10 0.07 0.07 -0.04 2.03 2.23 1dbzA1 PRO 340 HG3 0.06 -0.05 -0.21 -0.04 2.03 1.80 1dbzA1 PRO 340 HD2 0.06 0.05 0.26 -0.04 3.68 4.01 1dbzA1 PRO 340 HD3 0.03 0.30 0.15 -0.04 3.65 4.09 1dbzA1 LEU 341 H -0.23 0.23 0.10 -0.55 8.37 7.92 1dbzA1 LEU 341 HA -0.03 0.36 1.02 -0.75 4.35 4.94 1dbzA1 LEU 341 HB2 -0.03 0.08 -0.20 -0.04 1.64 1.45 1dbzA1 LEU 341 HB3 -0.02 -0.13 0.07 -0.04 1.64 1.51 1dbzA1 LEU 341 HG 0.06 -0.00 -0.39 -0.04 1.64 1.27 1dbzA1 LEU 341 HD13 0.02 0.04 -0.11 -0.04 0.93 0.84 1dbzA1 LEU 341 HD23 0.07 -0.03 -0.15 -0.04 0.89 0.75 1dbzA1 TYR 342 H 0.10 0.81 0.19 -0.55 8.29 8.84 1dbzA1 TYR 342 HA -0.06 0.26 0.89 -0.75 4.56 4.89 1dbzA1 TYR 342 HB2 -0.03 -0.09 -0.00 -0.04 3.06 2.90 1dbzA1 TYR 342 HB3 -0.03 0.03 -0.02 -0.04 2.98 2.92 1dbzA1 TYR 342 HD2 0.00 -0.01 -0.39 -0.04 7.15 6.70 1dbzA1 TYR 342 HE2 0.01 0.07 -0.21 -0.04 6.85 6.69 1dbzA1 ILE 343 H 0.13 0.68 0.29 -0.55 8.25 8.80 1dbzA1 ILE 343 HA 0.14 0.31 1.02 -0.75 4.18 4.90 1dbzA1 ILE 343 HB 0.12 -0.06 -0.22 -0.04 1.89 1.70 1dbzA1 ILE 343 HG12 0.34 0.03 -0.11 -0.04 1.49 1.70 1dbzA1 ILE 343 HG13 0.15 0.11 0.07 -0.04 1.21 1.51 1dbzA1 ILE 343 HG23 0.29 -0.00 -0.13 -0.04 0.93 1.05 1dbzA1 ILE 343 HD13 0.05 0.01 -0.25 -0.04 0.88 0.65 1dbzA1 GLY 344 H 0.12 0.51 0.26 -0.55 8.43 8.77 1dbzA1 GLY 344 HA2 0.04 0.01 0.16 -0.51 4.01 3.71 1dbzA1 GLY 344 HA3 0.10 0.18 0.88 -0.51 4.01 4.66 1dbzA1 SER 345 H 0.06 0.68 0.31 -0.55 8.46 8.95 1dbzA1 SER 345 HA 0.01 0.26 0.42 -0.75 4.49 4.42 1dbzA1 SER 345 HB2 0.07 -0.14 0.11 -0.04 3.95 3.95 1dbzA1 SER 345 HB3 0.03 0.08 -0.43 -0.04 3.93 3.57 1dbzA1 THR 346 H 0.02 0.35 0.25 -0.55 8.28 8.35 1dbzA1 THR 346 HA 0.03 0.01 0.40 -0.75 4.39 4.07 1dbzA1 THR 346 HB 0.01 0.00 0.25 -0.04 4.32 4.54 1dbzA1 THR 346 HG23 0.02 -0.01 -0.09 -0.04 1.22 1.09 1dbzA1 GLU 347 H 0.03 0.57 0.13 -0.55 8.60 8.79 1dbzA1 GLU 347 HA 0.03 0.05 0.41 -0.75 4.29 4.03 1dbzA1 GLU 347 HB2 0.04 0.15 0.22 -0.04 2.09 2.46 1dbzA1 GLU 347 HB3 0.05 -0.03 0.00 -0.04 1.99 1.97 1dbzA1 GLU 347 HG2 0.03 -0.02 0.04 -0.04 2.34 2.34 1dbzA1 GLU 347 HG3 0.02 0.03 0.11 -0.04 2.34 2.46 1dbzA1 GLU 348 H 0.07 0.14 -0.25 -0.55 8.60 8.02 1dbzA1 GLU 348 HA 0.15 0.07 0.38 -0.75 4.29 4.13 1dbzA1 GLU 348 HB2 0.13 0.15 -0.01 -0.04 2.09 2.31 1dbzA1 GLU 348 HB3 0.21 -0.00 -0.10 -0.04 1.99 2.06 1dbzA1 GLU 348 HG2 0.10 -0.09 0.12 -0.04 2.34 2.43 1dbzA1 GLU 348 HG3 0.15 0.05 0.08 -0.04 2.34 2.57 1dbzA1 VAL 349 H 0.06 0.57 -0.27 -0.55 8.24 8.06 1dbzA1 VAL 349 HA 0.02 0.00 0.35 -0.75 4.13 3.75 1dbzA1 VAL 349 HB 0.04 0.13 -0.03 -0.04 2.12 2.22 1dbzA1 VAL 349 HG13 0.04 -0.04 -0.25 -0.04 0.97 0.68 1dbzA1 VAL 349 HG23 0.09 0.11 -0.26 -0.04 0.95 0.85 1dbzA1 GLU 350 H 0.02 0.50 -0.19 -0.55 8.60 8.38 1dbzA1 GLU 350 HA -0.03 0.01 0.34 -0.75 4.29 3.86 1dbzA1 GLU 350 HB2 0.02 0.10 0.13 -0.04 2.09 2.30 1dbzA1 GLU 350 HB3 -0.00 -0.03 0.02 -0.04 1.99 1.94 1dbzA1 GLU 350 HG2 -0.00 -0.06 -0.03 -0.04 2.34 2.21 1dbzA1 GLU 350 HG3 0.01 0.17 0.04 -0.04 2.34 2.52 1dbzA1 LYS 351 H 0.02 0.38 -0.41 -0.55 8.42 7.86 1dbzA1 LYS 351 HA 0.07 0.03 0.34 -0.75 4.32 4.01 1dbzA1 LYS 351 HB2 0.10 0.05 0.08 -0.04 1.87 2.06 1dbzA1 LYS 351 HB3 0.10 0.18 0.13 -0.04 1.79 2.15 1dbzA1 LYS 351 HG2 0.21 -0.02 -0.26 -0.04 1.46 1.35 1dbzA1 LYS 351 HG3 0.25 -0.03 -0.02 -0.04 1.46 1.62 1dbzA1 LYS 351 HD2 0.15 -0.02 -0.04 -0.04 1.69 1.74 1dbzA1 LYS 351 HD3 0.19 -0.01 -0.04 -0.04 1.68 1.78 1dbzA1 LYS 351 HE2 0.01 -0.00 -0.10 -0.04 2.99 2.86 1dbzA1 LYS 351 HE3 0.16 -0.01 -0.06 -0.04 2.99 3.04 1dbzA1 VAL 352 H -0.20 0.40 -0.18 -0.55 8.24 7.71 1dbzA1 VAL 352 HA -0.83 0.03 0.37 -0.75 4.13 2.96 1dbzA1 VAL 352 HB -0.98 0.03 0.04 -0.04 2.12 1.17 1dbzA1 VAL 352 HG13 -0.33 0.03 -0.02 -0.04 0.97 0.61 1dbzA1 VAL 352 HG23 -0.91 -0.02 -0.07 -0.04 0.95 -0.10 1dbzA1 GLU 353 H -0.19 0.42 -0.40 -0.55 8.60 7.89 1dbzA1 GLU 353 HA -0.31 0.11 0.35 -0.75 4.29 3.69 1dbzA1 GLU 353 HB2 -0.10 0.15 0.10 -0.04 2.09 2.19 1dbzA1 GLU 353 HB3 -0.14 -0.01 -0.00 -0.04 1.99 1.79 1dbzA1 GLU 353 HG2 -0.22 -0.05 -0.14 -0.04 2.34 1.89 1dbzA1 GLU 353 HG3 -0.14 0.41 -0.03 -0.04 2.34 2.54 1dbzA1 LYS 354 H -0.05 0.42 -0.27 -0.55 8.42 7.97 1dbzA1 LYS 354 HA -0.06 -0.01 0.35 -0.75 4.32 3.85 1dbzA1 LYS 354 HB2 -0.00 0.08 0.16 -0.04 1.87 2.07 1dbzA1 LYS 354 HB3 0.04 0.12 0.10 -0.04 1.79 2.02 1dbzA1 LYS 354 HG2 -0.12 -0.01 -0.06 -0.04 1.46 1.23 1dbzA1 LYS 354 HG3 -0.06 -0.04 0.05 -0.04 1.46 1.38 1dbzA1 LYS 354 HD2 -0.00 0.00 -0.01 -0.04 1.69 1.63 1dbzA1 LYS 354 HD3 -0.02 0.00 -0.02 -0.04 1.68 1.60 1dbzA1 LYS 354 HE2 -0.06 -0.01 -0.02 -0.04 2.99 2.86 1dbzA1 LYS 354 HE3 -0.03 -0.01 -0.01 -0.04 2.99 2.89 1dbzA1 TYR 355 H 0.18 0.34 -0.28 -0.55 8.29 7.98 1dbzA1 TYR 355 HA -0.06 0.05 0.44 -0.75 4.56 4.23 1dbzA1 TYR 355 HB2 -0.21 0.11 0.07 -0.04 3.06 2.99 1dbzA1 TYR 355 HB3 -0.07 -0.03 -0.08 -0.04 2.98 2.75 1dbzA1 TYR 355 HD2 -0.02 0.20 -0.01 -0.04 7.15 7.28 1dbzA1 TYR 355 HE2 0.03 0.01 -0.13 -0.04 6.85 6.72 1dbzA1 LEU 356 H -0.12 0.33 -0.37 -0.55 8.37 7.66 1dbzA1 LEU 356 HA -0.07 0.01 0.78 -0.75 4.35 4.31 1dbzA1 LEU 356 HB2 -0.39 0.17 0.12 -0.04 1.64 1.49 1dbzA1 LEU 356 HB3 -0.37 -0.11 0.06 -0.04 1.64 1.18 1dbzA1 LEU 356 HG -0.44 0.22 -0.09 -0.04 1.64 1.28 1dbzA1 LEU 356 HD13 -0.48 -0.05 -0.02 -0.04 0.93 0.33 1dbzA1 LEU 356 HD23 -0.14 -0.03 -0.18 -0.04 0.89 0.49 1dbzA1 ALA 357 H -0.10 0.34 -0.32 -0.55 8.40 7.78 1dbzA1 ALA 357 HA -0.02 0.02 0.13 -0.75 4.34 3.71 1dbzA1 ALA 357 HB3 -0.05 0.03 0.08 -0.04 1.41 1.43