============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 14 0.840 53.681 16.680 133.267 -99.200 -91.000 TYR 20 0.840 48.748 23.562 144.165 -99.200 -91.000 PHE 40 1.000 61.841 3.196 140.018 -99.200 -91.000 TYR 54 0.840 69.444 20.942 149.350 -99.200 -91.000 TYR 57 0.840 62.983 22.252 140.335 -99.200 -91.000 TYR 59 0.840 55.175 26.281 149.449 -99.200 -91.000 HIS 62 0.900 49.521 26.759 156.612 -99.200 -91.000 PHE 76 1.000 59.555 19.930 135.545 -99.200 -91.000 TYR 77 0.840 51.964 21.604 134.171 -99.200 -91.000 TYR 78 0.840 54.625 28.372 129.778 -99.200 -91.000 PHE 96 1.000 31.715 42.882 124.405 -99.200 -91.000 TYR 109 0.840 40.576 42.112 134.759 -99.200 -91.000 TYR 134 0.840 13.983 54.599 114.801 -99.200 -91.000 PHE 137 1.000 28.785 59.039 113.270 -99.200 -91.000 PHE 143 1.000 43.430 49.825 112.684 -99.200 -91.000 TRP 159 1.040 18.300 63.415 107.532 -99.200 -91.000 TRP6 159 1.020 18.874 64.048 109.737 -99.200 -91.000 PHE 168 1.000 35.164 71.747 103.212 -99.200 -91.000 PHE 191 1.000 22.341 64.695 113.312 -99.200 -91.000 TYR 206 0.840 45.623 48.724 128.482 -99.200 -91.000 PHE 237 1.000 52.707 45.249 136.510 -99.200 -91.000 PHE 262 1.000 46.229 38.072 140.674 -99.200 -91.000 PHE 265 1.000 49.690 32.003 129.732 -99.200 -91.000 TYR 269 0.840 45.411 44.010 118.787 -99.200 -91.000 PHE 270 1.000 52.750 41.677 116.031 -99.200 -91.000 TYR 280 0.840 49.120 43.626 128.973 -99.200 -91.000 PHE 282 1.000 47.043 40.910 134.410 -99.200 -91.000 TYR 289 0.840 50.716 28.051 134.527 -99.200 -91.000 HIS 293 0.900 51.609 28.858 124.720 -99.200 -91.000 PHE 296 1.000 47.805 35.759 125.540 -99.200 -91.000 TYR 298 0.840 40.853 30.426 118.039 -99.200 -91.000 TYR 306 0.840 38.727 42.850 111.857 -99.200 -91.000 PHE 307 1.000 42.369 45.130 114.754 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1stzC1 ALA 11 HA 0.04 0.02 0.21 -0.75 4.34 3.86 1stzC1 ALA 11 HB3 0.01 0.01 0.03 -0.04 1.41 1.42 1stzC1 LEU 12 H 0.13 0.20 0.09 -0.55 8.37 8.25 1stzC1 LEU 12 HA 0.12 0.04 0.40 -0.75 4.35 4.15 1stzC1 LEU 12 HB2 0.14 0.03 0.15 -0.04 1.64 1.92 1stzC1 LEU 12 HB3 0.09 0.03 -0.02 -0.04 1.64 1.69 1stzC1 LEU 12 HG 0.24 -0.01 0.04 -0.04 1.64 1.87 1stzC1 LEU 12 HD13 0.15 0.01 -0.01 -0.04 0.93 1.04 1stzC1 LEU 12 HD23 0.09 -0.00 0.01 -0.04 0.89 0.94 1stzC1 LYS 13 H 0.05 0.17 -0.21 -0.55 8.42 7.88 1stzC1 LYS 13 HA 0.02 0.08 0.31 -0.75 4.32 3.98 1stzC1 LYS 13 HB2 0.02 0.00 0.06 -0.04 1.87 1.91 1stzC1 LYS 13 HB3 0.03 -0.01 0.06 -0.04 1.79 1.83 1stzC1 LYS 13 HG2 0.03 0.03 -0.07 -0.04 1.46 1.41 1stzC1 LYS 13 HG3 0.03 0.04 -0.27 -0.04 1.46 1.22 1stzC1 LYS 13 HD2 0.02 -0.00 -0.07 -0.04 1.69 1.60 1stzC1 LYS 13 HD3 0.02 -0.02 -0.03 -0.04 1.68 1.61 1stzC1 LYS 13 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.94 1stzC1 LYS 13 HE3 0.02 0.08 -0.02 -0.04 2.99 3.03 1stzC1 LYS 14 H 0.04 0.40 -0.53 -0.55 8.42 7.77 1stzC1 LYS 14 HA 0.02 0.08 0.60 -0.75 4.32 4.27 1stzC1 LYS 14 HB2 0.06 0.11 0.01 -0.04 1.87 2.01 1stzC1 LYS 14 HB3 0.04 -0.07 0.12 -0.04 1.79 1.84 1stzC1 LYS 14 HG2 0.03 -0.04 -0.07 -0.04 1.46 1.35 1stzC1 LYS 14 HG3 0.04 0.05 -0.04 -0.04 1.46 1.48 1stzC1 LYS 14 HD2 0.06 0.05 0.02 -0.04 1.69 1.77 1stzC1 LYS 14 HD3 0.06 -0.05 0.01 -0.04 1.68 1.66 1stzC1 LYS 14 HE2 0.03 -0.03 -0.02 -0.04 2.99 2.93 1stzC1 LYS 14 HE3 0.03 0.03 -0.00 -0.04 2.99 3.01 1stzC1 LEU 15 H -0.01 0.48 -0.27 -0.55 8.37 8.02 1stzC1 LEU 15 HA -0.04 0.04 0.86 -0.75 4.35 4.46 1stzC1 LEU 15 HB2 -0.10 0.11 0.10 -0.04 1.64 1.70 1stzC1 LEU 15 HB3 -0.13 -0.13 -0.05 -0.04 1.64 1.28 1stzC1 LEU 15 HG -0.08 0.10 -0.07 -0.04 1.64 1.54 1stzC1 LEU 15 HD13 -0.60 -0.01 -0.09 -0.04 0.93 0.19 1stzC1 LEU 15 HD23 -0.08 0.00 -0.18 -0.04 0.89 0.59 1stzC1 ASN 16 H -0.04 0.07 0.13 -0.55 8.53 8.14 1stzC1 ASN 16 HA -0.02 0.25 0.65 -0.75 4.76 4.88 1stzC1 ASN 16 HB2 -0.03 -0.10 0.19 -0.04 2.88 2.90 1stzC1 ASN 16 HB3 -0.03 0.15 0.11 -0.04 2.79 2.98 1stzC1 ASN 16 HD21 -0.09 0.00 0.03 -0.04 7.03 6.94 1stzC1 ASN 16 HD22 -0.05 0.11 0.05 -0.04 7.74 7.80 1stzC1 ASP 17 H -0.02 0.19 0.15 -0.55 8.40 8.18 1stzC1 ASP 17 HA -0.00 0.17 0.33 -0.75 4.63 4.37 1stzC1 ASP 17 HB2 0.00 -0.05 0.13 -0.04 2.71 2.75 1stzC1 ASP 17 HB3 0.01 0.05 -0.00 -0.04 2.70 2.71 1stzC1 ARG 18 H -0.05 0.09 -0.14 -0.55 8.46 7.81 1stzC1 ARG 18 HA -0.01 0.10 0.43 -0.75 4.34 4.10 1stzC1 ARG 18 HB2 -0.16 0.04 0.08 -0.04 1.90 1.82 1stzC1 ARG 18 HB3 -0.16 -0.02 0.04 -0.04 1.80 1.63 1stzC1 ARG 18 HG2 -0.15 0.01 -0.26 -0.04 1.67 1.23 1stzC1 ARG 18 HG3 -0.11 -0.01 -0.01 -0.04 1.67 1.50 1stzC1 ARG 18 HD2 -0.62 -0.02 -0.09 -0.04 3.22 2.45 1stzC1 ARG 18 HD3 -1.01 0.03 -0.03 -0.04 3.22 2.16 1stzC1 GLN 19 H -0.07 0.15 -0.28 -0.55 8.47 7.72 1stzC1 GLN 19 HA -0.07 0.03 0.28 -0.75 4.36 3.84 1stzC1 GLN 19 HB2 -0.09 0.07 0.09 -0.04 2.15 2.18 1stzC1 GLN 19 HB3 -0.12 0.07 0.04 -0.04 2.02 1.97 1stzC1 GLN 19 HG2 -0.07 0.03 0.08 -0.04 2.40 2.39 1stzC1 GLN 19 HG3 -0.09 -0.11 0.00 -0.04 2.39 2.15 1stzC1 GLN 19 HE21 -0.05 0.08 0.03 -0.04 6.97 6.99 1stzC1 GLN 19 HE22 -0.07 -0.04 -0.00 -0.04 7.69 7.54 1stzC1 ARG 20 H -0.05 0.32 -0.42 -0.55 8.46 7.76 1stzC1 ARG 20 HA -0.19 0.07 0.59 -0.75 4.34 4.06 1stzC1 ARG 20 HB2 0.05 0.12 0.08 -0.04 1.90 2.11 1stzC1 ARG 20 HB3 0.25 -0.00 -0.00 -0.04 1.80 2.00 1stzC1 ARG 20 HG2 -0.17 -0.06 -0.07 -0.04 1.67 1.34 1stzC1 ARG 20 HG3 -0.03 0.21 -0.13 -0.04 1.67 1.68 1stzC1 ARG 20 HD2 0.30 -0.04 -0.02 -0.04 3.22 3.41 1stzC1 ARG 20 HD3 0.04 0.10 -0.05 -0.04 3.22 3.28 1stzC1 LYS 21 H 0.03 0.43 -0.05 -0.55 8.42 8.28 1stzC1 LYS 21 HA 0.12 0.07 0.49 -0.75 4.32 4.25 1stzC1 LYS 21 HB2 0.05 0.09 0.18 -0.04 1.87 2.15 1stzC1 LYS 21 HB3 0.07 -0.05 0.02 -0.04 1.79 1.79 1stzC1 LYS 21 HG2 0.02 0.08 0.08 -0.04 1.46 1.60 1stzC1 LYS 21 HG3 0.03 -0.06 0.00 -0.04 1.46 1.39 1stzC1 LYS 21 HD2 0.03 -0.04 0.01 -0.04 1.69 1.65 1stzC1 LYS 21 HD3 -0.03 0.02 0.02 -0.04 1.68 1.65 1stzC1 LYS 21 HE2 -0.00 -0.00 -0.02 -0.04 2.99 2.92 1stzC1 LYS 21 HE3 0.02 -0.03 -0.03 -0.04 2.99 2.91 1stzC1 VAL 22 H 0.03 0.44 -0.20 -0.55 8.24 7.95 1stzC1 VAL 22 HA 0.07 0.04 0.38 -0.75 4.13 3.87 1stzC1 VAL 22 HB -0.02 0.08 0.06 -0.04 2.12 2.20 1stzC1 VAL 22 HG13 0.00 -0.00 -0.17 -0.04 0.97 0.75 1stzC1 VAL 22 HG23 0.01 0.02 -0.02 -0.04 0.95 0.91 1stzC1 LEU 23 H -0.02 0.41 -0.22 -0.55 8.37 7.99 1stzC1 LEU 23 HA -0.01 0.01 0.44 -0.75 4.35 4.04 1stzC1 LEU 23 HB2 -0.31 0.22 0.21 -0.04 1.64 1.71 1stzC1 LEU 23 HB3 -0.32 0.07 0.06 -0.04 1.64 1.41 1stzC1 LEU 23 HG -0.31 -0.04 -0.01 -0.04 1.64 1.25 1stzC1 LEU 23 HD13 -1.10 0.00 -0.02 -0.04 0.93 -0.23 1stzC1 LEU 23 HD23 0.04 -0.00 -0.00 -0.04 0.89 0.88 1stzC1 TYR 24 H 0.37 0.64 -0.13 -0.55 8.29 8.62 1stzC1 TYR 24 HA 0.41 0.00 0.43 -0.75 4.56 4.65 1stzC1 TYR 24 HB2 0.29 0.08 0.13 -0.04 3.06 3.52 1stzC1 TYR 24 HB3 0.16 0.09 0.16 -0.04 2.98 3.35 1stzC1 TYR 24 HD2 0.04 0.02 -0.10 -0.04 7.15 7.06 1stzC1 TYR 24 HE2 -0.09 0.01 -0.04 -0.04 6.85 6.69 1stzC1 CYS 25 H 0.24 0.53 -0.21 -0.55 8.50 8.51 1stzC1 CYS 25 HA 0.12 0.05 0.51 -0.75 4.58 4.50 1stzC1 CYS 25 HB2 0.11 0.04 0.12 -0.04 2.97 3.20 1stzC1 CYS 25 HB3 0.09 -0.02 -0.01 -0.04 2.97 2.98 1stzC1 ILE 26 H 0.07 0.46 -0.25 -0.55 8.25 7.99 1stzC1 ILE 26 HA 0.03 0.01 0.47 -0.75 4.18 3.94 1stzC1 ILE 26 HB 0.03 0.09 0.21 -0.04 1.89 2.18 1stzC1 ILE 26 HG12 0.01 -0.04 -0.04 -0.04 1.49 1.38 1stzC1 ILE 26 HG13 0.03 0.08 0.01 -0.04 1.21 1.29 1stzC1 ILE 26 HG23 -0.01 -0.02 -0.17 -0.04 0.93 0.69 1stzC1 ILE 26 HD13 0.00 -0.04 -0.14 -0.04 0.88 0.66 1stzC1 VAL 27 H 0.04 0.62 -0.01 -0.55 8.24 8.34 1stzC1 VAL 27 HA 0.02 0.03 0.35 -0.75 4.13 3.78 1stzC1 VAL 27 HB -0.08 0.05 0.16 -0.04 2.12 2.21 1stzC1 VAL 27 HG13 -0.25 -0.01 -0.03 -0.04 0.97 0.63 1stzC1 VAL 27 HG23 0.15 0.08 0.03 -0.04 0.95 1.18 1stzC1 ARG 28 H -0.18 0.59 -0.10 -0.55 8.46 8.22 1stzC1 ARG 28 HA -0.31 -0.02 0.41 -0.75 4.34 3.66 1stzC1 ARG 28 HB2 -0.27 -0.00 0.14 -0.04 1.90 1.72 1stzC1 ARG 28 HB3 -0.07 0.06 0.18 -0.04 1.80 1.93 1stzC1 ARG 28 HG2 0.02 0.03 -0.19 -0.04 1.67 1.49 1stzC1 ARG 28 HG3 -0.00 -0.06 0.04 -0.04 1.67 1.61 1stzC1 ARG 28 HD2 0.17 0.01 -0.02 -0.04 3.22 3.34 1stzC1 ARG 28 HD3 0.12 0.00 -0.01 -0.04 3.22 3.28 1stzC1 GLU 29 H -0.01 0.49 -0.27 -0.55 8.60 8.27 1stzC1 GLU 29 HA 0.01 -0.01 0.58 -0.75 4.29 4.11 1stzC1 GLU 29 HB2 0.03 0.28 0.19 -0.04 2.09 2.55 1stzC1 GLU 29 HB3 0.04 0.01 -0.02 -0.04 1.99 1.98 1stzC1 GLU 29 HG2 0.02 -0.02 0.06 -0.04 2.34 2.37 1stzC1 GLU 29 HG3 0.03 -0.01 0.01 -0.04 2.34 2.33 1stzC1 TYR 30 H 0.10 0.42 -0.11 -0.55 8.29 8.15 1stzC1 TYR 30 HA -0.03 0.19 0.63 -0.75 4.56 4.59 1stzC1 TYR 30 HB2 -0.02 -0.01 0.18 -0.04 3.06 3.17 1stzC1 TYR 30 HB3 -0.05 0.04 0.18 -0.04 2.98 3.12 1stzC1 TYR 30 HD2 -0.01 0.15 -0.07 -0.04 7.15 7.18 1stzC1 TYR 30 HE2 0.01 -0.03 -0.19 -0.04 6.85 6.60 1stzC1 ILE 31 H -0.06 0.38 -0.19 -0.55 8.25 7.83 1stzC1 ILE 31 HA -0.19 -0.01 0.32 -0.75 4.18 3.54 1stzC1 ILE 31 HB -0.12 0.12 0.11 -0.04 1.89 1.96 1stzC1 ILE 31 HG12 -0.21 0.26 0.05 -0.04 1.49 1.54 1stzC1 ILE 31 HG13 -0.18 -0.12 0.03 -0.04 1.21 0.90 1stzC1 ILE 31 HG23 -0.04 -0.06 -0.32 -0.04 0.93 0.47 1stzC1 ILE 31 HD13 0.02 -0.02 -0.01 -0.04 0.88 0.83 1stzC1 GLU 32 H -0.06 0.26 -0.26 -0.55 8.60 7.99 1stzC1 GLU 32 HA -0.04 -0.01 0.33 -0.75 4.29 3.82 1stzC1 GLU 32 HB2 -0.02 0.11 0.23 -0.04 2.09 2.37 1stzC1 GLU 32 HB3 -0.01 -0.05 0.03 -0.04 1.99 1.91 1stzC1 GLU 32 HG2 -0.00 -0.03 0.02 -0.04 2.34 2.29 1stzC1 GLU 32 HG3 -0.00 -0.01 0.02 -0.04 2.34 2.30 1stzC1 ASN 33 H -0.03 0.31 0.15 -0.55 8.53 8.41 1stzC1 ASN 33 HA -0.04 0.06 0.78 -0.75 4.76 4.81 1stzC1 ASN 33 HB2 -0.00 0.07 0.13 -0.04 2.88 3.03 1stzC1 ASN 33 HB3 -0.01 -0.07 0.06 -0.04 2.79 2.72 1stzC1 ASN 33 HD21 0.00 -0.02 0.02 -0.04 7.03 6.99 1stzC1 ASN 33 HD22 0.01 0.05 0.09 -0.04 7.74 7.84 1stzC1 LYS 34 H -0.07 0.06 0.03 -0.55 8.42 7.88 1stzC1 LYS 34 HA -0.36 0.51 0.58 -0.75 4.32 4.30 1stzC1 LYS 34 HB2 -0.11 -0.09 0.15 -0.04 1.87 1.78 1stzC1 LYS 34 HB3 -0.18 -0.08 0.18 -0.04 1.79 1.68 1stzC1 LYS 34 HG2 -0.33 -0.03 -0.01 -0.04 1.46 1.05 1stzC1 LYS 34 HG3 -0.22 0.22 -0.33 -0.04 1.46 1.08 1stzC1 LYS 34 HD2 -0.09 -0.08 0.06 -0.04 1.69 1.53 1stzC1 LYS 34 HD3 -0.12 -0.16 0.06 -0.04 1.68 1.42 1stzC1 LYS 34 HE2 -0.13 0.33 0.00 -0.04 2.99 3.15 1stzC1 LYS 34 HE3 -0.08 -0.02 0.06 -0.04 2.99 2.92 1stzC1 LYS 35 H 0.04 0.40 -0.41 -0.55 8.42 7.89 1stzC1 LYS 35 HA 0.07 0.15 0.88 -0.75 4.32 4.67 1stzC1 LYS 35 HB2 0.04 0.10 -0.14 -0.04 1.87 1.82 1stzC1 LYS 35 HB3 0.02 -0.05 0.06 -0.04 1.79 1.78 1stzC1 LYS 35 HG2 -0.00 -0.02 -0.26 -0.04 1.46 1.13 1stzC1 LYS 35 HG3 0.01 0.00 -0.17 -0.04 1.46 1.27 1stzC1 LYS 35 HD2 0.01 -0.01 -0.04 -0.04 1.69 1.61 1stzC1 LYS 35 HD3 0.00 -0.01 -0.03 -0.04 1.68 1.60 1stzC1 LYS 35 HE2 -0.01 -0.00 -0.02 -0.04 2.99 2.92 1stzC1 LYS 35 HE3 -0.00 -0.02 -0.01 -0.04 2.99 2.91 1stzC1 PRO 36 HA -0.05 0.27 0.50 -0.51 4.44 4.65 1stzC1 PRO 36 HB2 -0.05 -0.17 -0.24 -0.04 2.28 1.78 1stzC1 PRO 36 HB3 -0.09 0.09 -0.15 -0.04 2.02 1.83 1stzC1 PRO 36 HG2 -0.01 -0.06 0.05 -0.04 2.03 1.97 1stzC1 PRO 36 HG3 -0.04 -0.00 0.03 -0.04 2.03 1.98 1stzC1 PRO 36 HD2 0.02 0.07 0.23 -0.04 3.68 3.96 1stzC1 PRO 36 HD3 0.03 0.17 0.12 -0.04 3.65 3.93 1stzC1 VAL 37 H -0.04 0.66 0.33 -0.55 8.24 8.64 1stzC1 VAL 37 HA 0.02 0.11 0.75 -0.75 4.13 4.25 1stzC1 VAL 37 HB -0.00 -0.03 0.18 -0.04 2.12 2.23 1stzC1 VAL 37 HG13 0.02 0.00 -0.15 -0.04 0.97 0.80 1stzC1 VAL 37 HG23 0.06 0.08 -0.03 -0.04 0.95 1.02 1stzC1 SER 38 H 0.01 0.12 0.14 -0.55 8.46 8.18 1stzC1 SER 38 HA -0.01 0.28 0.66 -0.75 4.49 4.67 1stzC1 SER 38 HB2 0.00 -0.02 0.09 -0.04 3.95 3.97 1stzC1 SER 38 HB3 -0.00 0.08 -0.08 -0.04 3.93 3.89 1stzC1 SER 39 H 0.00 0.27 0.14 -0.55 8.46 8.33 1stzC1 SER 39 HA 0.01 0.13 0.40 -0.75 4.49 4.28 1stzC1 SER 39 HB2 0.01 -0.01 0.08 -0.04 3.95 3.98 1stzC1 SER 39 HB3 0.01 0.01 0.01 -0.04 3.93 3.92 1stzC1 GLN 40 H 0.01 0.06 -0.19 -0.55 8.47 7.80 1stzC1 GLN 40 HA 0.02 0.10 0.43 -0.75 4.36 4.15 1stzC1 GLN 40 HB2 0.01 -0.04 0.09 -0.04 2.15 2.17 1stzC1 GLN 40 HB3 0.01 0.08 -0.06 -0.04 2.02 2.02 1stzC1 GLN 40 HG2 0.01 -0.04 0.01 -0.04 2.40 2.33 1stzC1 GLN 40 HG3 0.01 0.05 0.00 -0.04 2.39 2.40 1stzC1 GLN 40 HE21 0.01 0.06 -0.02 -0.04 6.97 6.98 1stzC1 GLN 40 HE22 0.01 -0.05 -0.00 -0.04 7.69 7.61 1stzC1 ARG 41 H 0.01 -0.00 -0.17 -0.55 8.46 7.75 1stzC1 ARG 41 HA 0.02 0.07 0.30 -0.75 4.34 3.97 1stzC1 ARG 41 HB2 0.01 -0.18 0.14 -0.04 1.90 1.83 1stzC1 ARG 41 HB3 0.02 0.12 -0.04 -0.04 1.80 1.86 1stzC1 ARG 41 HG2 0.01 -0.02 0.05 -0.04 1.67 1.67 1stzC1 ARG 41 HG3 0.02 0.05 0.04 -0.04 1.67 1.73 1stzC1 ARG 41 HD2 0.02 0.06 -0.05 -0.04 3.22 3.21 1stzC1 ARG 41 HD3 0.02 -0.05 0.09 -0.04 3.22 3.24 1stzC1 VAL 42 H 0.02 0.32 -0.47 -0.55 8.24 7.56 1stzC1 VAL 42 HA 0.04 0.09 0.41 -0.75 4.13 3.91 1stzC1 VAL 42 HB 0.03 0.12 0.09 -0.04 2.12 2.32 1stzC1 VAL 42 HG13 0.05 -0.02 -0.17 -0.04 0.97 0.79 1stzC1 VAL 42 HG23 0.03 0.04 -0.09 -0.04 0.95 0.89 1stzC1 LEU 43 H 0.03 0.31 -0.07 -0.55 8.37 8.09 1stzC1 LEU 43 HA 0.04 0.01 0.32 -0.75 4.35 3.96 1stzC1 LEU 43 HB2 0.04 -0.06 0.12 -0.04 1.64 1.70 1stzC1 LEU 43 HB3 0.03 0.08 0.12 -0.04 1.64 1.82 1stzC1 LEU 43 HG 0.03 0.07 -0.02 -0.04 1.64 1.67 1stzC1 LEU 43 HD13 0.05 0.00 0.00 -0.04 0.93 0.94 1stzC1 LEU 43 HD23 0.03 -0.06 -0.03 -0.04 0.89 0.79 1stzC1 GLU 44 H 0.03 0.23 -0.50 -0.55 8.60 7.80 1stzC1 GLU 44 HA 0.02 0.05 0.43 -0.75 4.29 4.03 1stzC1 GLU 44 HB2 0.02 0.11 0.10 -0.04 2.09 2.29 1stzC1 GLU 44 HB3 0.02 -0.02 -0.02 -0.04 1.99 1.93 1stzC1 GLU 44 HG2 0.02 -0.02 -0.05 -0.04 2.34 2.25 1stzC1 GLU 44 HG3 0.02 0.11 -0.17 -0.04 2.34 2.25 1stzC1 VAL 45 H 0.03 0.36 -0.06 -0.55 8.24 8.02 1stzC1 VAL 45 HA 0.03 0.15 0.75 -0.75 4.13 4.31 1stzC1 VAL 45 HB 0.04 -0.04 0.17 -0.04 2.12 2.24 1stzC1 VAL 45 HG13 0.02 -0.00 -0.02 -0.04 0.97 0.93 1stzC1 VAL 45 HG23 0.04 0.04 0.00 -0.04 0.95 0.99 1stzC1 SER 46 H 0.04 0.24 -0.33 -0.55 8.46 7.87 1stzC1 SER 46 HA 0.06 0.15 0.88 -0.75 4.49 4.82 1stzC1 SER 46 HB2 0.06 0.08 -0.03 -0.04 3.95 4.03 1stzC1 SER 46 HB3 0.06 0.03 -0.05 -0.04 3.93 3.93 1stzC1 ASN 47 H 0.05 0.10 0.12 -0.55 8.53 8.27 1stzC1 ASN 47 HA 0.03 0.26 0.70 -0.75 4.76 5.00 1stzC1 ASN 47 HB2 0.04 -0.03 0.09 -0.04 2.88 2.93 1stzC1 ASN 47 HB3 0.03 -0.04 0.07 -0.04 2.79 2.82 1stzC1 ASN 47 HD21 0.02 0.02 -0.04 -0.04 7.03 6.99 1stzC1 ASN 47 HD22 0.03 -0.02 -0.02 -0.04 7.74 7.70 1stzC1 ILE 48 H 0.07 0.02 -0.24 -0.55 8.25 7.54 1stzC1 ILE 48 HA 0.12 -0.04 0.34 -0.75 4.18 3.86 1stzC1 ILE 48 HB 0.09 0.09 0.02 -0.04 1.89 2.06 1stzC1 ILE 48 HG12 0.08 0.00 -0.02 -0.04 1.49 1.52 1stzC1 ILE 48 HG13 0.08 -0.00 -0.06 -0.04 1.21 1.19 1stzC1 ILE 48 HG23 0.24 -0.08 -0.10 -0.04 0.93 0.95 1stzC1 ILE 48 HD13 0.10 -0.01 -0.03 -0.04 0.88 0.90 1stzC1 GLU 49 H 0.10 0.05 0.16 -0.55 8.60 8.36 1stzC1 GLU 49 HA -0.06 0.24 0.50 -0.75 4.29 4.22 1stzC1 GLU 49 HB2 -0.33 -0.07 0.12 -0.04 2.09 1.76 1stzC1 GLU 49 HB3 -0.19 -0.00 0.19 -0.04 1.99 1.95 1stzC1 GLU 49 HG2 -0.05 0.05 0.03 -0.04 2.34 2.32 1stzC1 GLU 49 HG3 -0.02 0.14 0.10 -0.04 2.34 2.53 1stzC1 PHE 50 H 0.20 0.16 -0.50 -0.55 8.34 7.64 1stzC1 PHE 50 HA 0.00 0.16 0.86 -0.75 4.62 4.88 1stzC1 PHE 50 HB2 0.01 -0.01 -0.03 -0.04 3.15 3.08 1stzC1 PHE 50 HB3 0.00 -0.07 0.03 -0.04 3.06 2.97 1stzC1 PHE 50 HD2 0.00 -0.06 -0.03 -0.04 7.28 7.15 1stzC1 PHE 50 HE2 0.00 0.01 -0.02 -0.04 7.38 7.33 1stzC1 PHE 50 HZ 0.00 0.03 -0.02 -0.04 7.32 7.28 1stzC1 SER 51 H 0.14 0.08 0.13 -0.55 8.46 8.26 1stzC1 SER 51 HA 0.05 0.22 0.43 -0.75 4.49 4.44 1stzC1 SER 51 HB2 0.04 -0.01 0.20 -0.04 3.95 4.14 1stzC1 SER 51 HB3 0.05 0.14 0.16 -0.04 3.93 4.23 1stzC1 SER 52 H 0.03 0.21 0.17 -0.55 8.46 8.32 1stzC1 SER 52 HA 0.04 0.18 0.54 -0.75 4.49 4.49 1stzC1 SER 52 HB2 0.02 -0.01 0.02 -0.04 3.95 3.93 1stzC1 SER 52 HB3 0.02 0.10 0.09 -0.04 3.93 4.11 1stzC1 ALA 53 H 0.03 0.08 -0.17 -0.55 8.40 7.80 1stzC1 ALA 53 HA 0.01 0.15 0.47 -0.75 4.34 4.22 1stzC1 ALA 53 HB3 0.02 0.04 0.05 -0.04 1.41 1.47 1stzC1 THR 54 H 0.04 0.16 -0.25 -0.55 8.28 7.69 1stzC1 THR 54 HA -0.02 0.15 0.67 -0.75 4.39 4.43 1stzC1 THR 54 HB -0.00 0.08 -0.05 -0.04 4.32 4.31 1stzC1 THR 54 HG23 -0.13 0.01 0.01 -0.04 1.22 1.07 1stzC1 ILE 55 H 0.02 0.26 -0.25 -0.55 8.25 7.72 1stzC1 ILE 55 HA -0.01 0.06 0.54 -0.75 4.18 4.01 1stzC1 ILE 55 HB 0.02 0.09 0.12 -0.04 1.89 2.07 1stzC1 ILE 55 HG12 0.03 -0.05 -0.01 -0.04 1.49 1.42 1stzC1 ILE 55 HG13 0.05 0.02 -0.02 -0.04 1.21 1.21 1stzC1 ILE 55 HG23 0.01 0.02 -0.03 -0.04 0.93 0.89 1stzC1 ILE 55 HD13 0.05 0.01 -0.04 -0.04 0.88 0.86 1stzC1 ARG 56 H 0.00 0.27 -0.39 -0.55 8.46 7.79 1stzC1 ARG 56 HA -0.00 0.07 0.47 -0.75 4.34 4.12 1stzC1 ARG 56 HB2 0.00 0.00 0.11 -0.04 1.90 1.97 1stzC1 ARG 56 HB3 0.00 0.14 0.15 -0.04 1.80 2.05 1stzC1 ARG 56 HG2 -0.00 0.00 -0.01 -0.04 1.67 1.62 1stzC1 ARG 56 HG3 -0.00 0.02 -0.27 -0.04 1.67 1.38 1stzC1 ARG 56 HD2 -0.00 0.04 -0.03 -0.04 3.22 3.19 1stzC1 ARG 56 HD3 -0.00 -0.05 0.08 -0.04 3.22 3.20 1stzC1 ASN 57 H -0.01 0.29 -0.13 -0.55 8.53 8.14 1stzC1 ASN 57 HA -0.02 0.10 0.53 -0.75 4.76 4.62 1stzC1 ASN 57 HB2 -0.03 0.04 0.13 -0.04 2.88 2.98 1stzC1 ASN 57 HB3 -0.03 0.01 0.03 -0.04 2.79 2.76 1stzC1 ASN 57 HD21 -0.01 -0.01 -0.03 -0.04 7.03 6.94 1stzC1 ASN 57 HD22 -0.02 -0.06 0.03 -0.04 7.74 7.65 1stzC1 ASP 58 H -0.03 0.45 -0.32 -0.55 8.40 7.95 1stzC1 ASP 58 HA -0.04 0.03 0.45 -0.75 4.63 4.32 1stzC1 ASP 58 HB2 -0.04 0.11 0.17 -0.04 2.71 2.92 1stzC1 ASP 58 HB3 -0.05 -0.05 -0.00 -0.04 2.70 2.56 1stzC1 MET 59 H -0.01 0.49 -0.21 -0.55 8.47 8.18 1stzC1 MET 59 HA -0.00 0.01 0.38 -0.75 4.52 4.15 1stzC1 MET 59 HB2 -0.00 0.06 0.14 -0.04 2.15 2.31 1stzC1 MET 59 HB3 0.00 -0.01 0.00 -0.04 2.03 1.98 1stzC1 MET 59 HG2 -0.00 -0.03 -0.05 -0.04 2.63 2.50 1stzC1 MET 59 HG3 -0.00 0.11 0.03 -0.04 2.56 2.65 1stzC1 MET 59 HE3 -0.01 0.01 -0.09 -0.04 2.10 1.97 1stzC1 LYS 60 H 0.00 0.33 -0.46 -0.55 8.42 7.74 1stzC1 LYS 60 HA 0.03 0.07 0.53 -0.75 4.32 4.20 1stzC1 LYS 60 HB2 0.00 0.08 0.12 -0.04 1.87 2.03 1stzC1 LYS 60 HB3 -0.01 0.12 0.13 -0.04 1.79 1.99 1stzC1 LYS 60 HG2 -0.01 -0.01 0.01 -0.04 1.46 1.40 1stzC1 LYS 60 HG3 -0.01 -0.01 -0.09 -0.04 1.46 1.31 1stzC1 LYS 60 HD2 0.02 0.01 0.02 -0.04 1.69 1.70 1stzC1 LYS 60 HD3 0.04 -0.06 0.15 -0.04 1.68 1.77 1stzC1 LYS 60 HE2 0.02 0.02 -0.01 -0.04 2.99 2.98 1stzC1 LYS 60 HE3 0.01 0.01 -0.01 -0.04 2.99 2.96 1stzC1 LYS 61 H 0.01 0.38 -0.15 -0.55 8.42 8.11 1stzC1 LYS 61 HA 0.10 0.08 0.53 -0.75 4.32 4.27 1stzC1 LYS 61 HB2 0.01 0.03 0.13 -0.04 1.87 1.99 1stzC1 LYS 61 HB3 0.01 0.06 0.15 -0.04 1.79 1.96 1stzC1 LYS 61 HG2 0.05 0.00 -0.15 -0.04 1.46 1.32 1stzC1 LYS 61 HG3 0.10 -0.01 0.05 -0.04 1.46 1.56 1stzC1 LYS 61 HD2 0.00 -0.03 0.03 -0.04 1.69 1.65 1stzC1 LYS 61 HD3 -0.00 -0.06 0.04 -0.04 1.68 1.61 1stzC1 LYS 61 HE2 0.02 0.24 0.08 -0.04 2.99 3.29 1stzC1 LYS 61 HE3 0.07 -0.02 0.00 -0.04 2.99 3.00 1stzC1 LEU 62 H 0.02 0.52 -0.10 -0.55 8.37 8.26 1stzC1 LEU 62 HA 0.09 0.05 0.37 -0.75 4.35 4.11 1stzC1 LEU 62 HB2 0.02 0.10 0.10 -0.04 1.64 1.82 1stzC1 LEU 62 HB3 0.04 -0.09 -0.08 -0.04 1.64 1.46 1stzC1 LEU 62 HG -0.06 0.16 0.05 -0.04 1.64 1.75 1stzC1 LEU 62 HD13 -0.06 -0.01 -0.12 -0.04 0.93 0.70 1stzC1 LEU 62 HD23 -0.25 0.01 -0.03 -0.04 0.89 0.58 1stzC1 GLU 63 H 0.07 0.44 -0.34 -0.55 8.60 8.22 1stzC1 GLU 63 HA 0.08 0.11 0.49 -0.75 4.29 4.22 1stzC1 GLU 63 HB2 0.05 -0.04 -0.01 -0.04 2.09 2.06 1stzC1 GLU 63 HB3 0.07 0.09 0.14 -0.04 1.99 2.25 1stzC1 GLU 63 HG2 0.08 0.03 -0.18 -0.04 2.34 2.22 1stzC1 GLU 63 HG3 0.07 0.03 0.06 -0.04 2.34 2.46 1stzC1 TYR 64 H 0.18 0.42 -0.21 -0.55 8.29 8.13 1stzC1 TYR 64 HA 0.01 0.04 0.48 -0.75 4.56 4.33 1stzC1 TYR 64 HB2 0.01 0.02 0.16 -0.04 3.06 3.21 1stzC1 TYR 64 HB3 0.01 0.07 0.20 -0.04 2.98 3.22 1stzC1 TYR 64 HD2 0.00 0.01 0.00 -0.04 7.15 7.12 1stzC1 TYR 64 HE2 -0.00 -0.02 0.01 -0.04 6.85 6.79 1stzC1 LEU 65 H 0.10 0.40 -0.26 -0.55 8.37 8.06 1stzC1 LEU 65 HA -0.19 0.12 0.60 -0.75 4.35 4.12 1stzC1 LEU 65 HB2 0.25 -0.01 0.04 -0.04 1.64 1.87 1stzC1 LEU 65 HB3 0.10 -0.05 0.09 -0.04 1.64 1.74 1stzC1 LEU 65 HG 0.17 0.06 -0.01 -0.04 1.64 1.82 1stzC1 LEU 65 HD13 0.12 -0.01 -0.13 -0.04 0.93 0.87 1stzC1 LEU 65 HD23 0.04 0.00 -0.01 -0.04 0.89 0.89 1stzC1 GLY 66 H -0.04 0.28 -0.47 -0.55 8.43 7.65 1stzC1 GLY 66 HA2 -0.09 0.12 0.29 -0.51 4.01 3.83 1stzC1 GLY 66 HA3 -0.19 0.05 0.38 -0.51 4.01 3.74 1stzC1 TYR 67 H 0.11 0.56 0.07 -0.55 8.29 8.48 1stzC1 TYR 67 HA -0.02 -0.01 0.63 -0.75 4.56 4.41 1stzC1 TYR 67 HB2 -0.06 0.06 0.04 -0.04 3.06 3.05 1stzC1 TYR 67 HB3 -0.08 -0.06 -0.03 -0.04 2.98 2.77 1stzC1 TYR 67 HD2 -0.06 -0.01 -0.14 -0.04 7.15 6.89 1stzC1 TYR 67 HE2 -0.02 0.04 -0.13 -0.04 6.85 6.70 1stzC1 ILE 68 H 0.11 0.27 -0.03 -0.55 8.25 8.05 1stzC1 ILE 68 HA 0.12 0.18 0.70 -0.75 4.18 4.43 1stzC1 ILE 68 HB 0.02 -0.02 -0.03 -0.04 1.89 1.82 1stzC1 ILE 68 HG12 0.06 -0.14 -0.32 -0.04 1.49 1.05 1stzC1 ILE 68 HG13 0.05 0.05 -0.31 -0.04 1.21 0.96 1stzC1 ILE 68 HG23 0.04 -0.02 -0.28 -0.04 0.93 0.62 1stzC1 ILE 68 HD13 0.01 0.05 -0.07 -0.04 0.88 0.83 1stzC1 TYR 69 H 0.09 0.41 0.30 -0.55 8.29 8.55 1stzC1 TYR 69 HA -0.01 0.10 0.50 -0.75 4.56 4.40 1stzC1 TYR 69 HB2 -0.02 0.02 0.09 -0.04 3.06 3.11 1stzC1 TYR 69 HB3 -0.03 0.06 -0.27 -0.04 2.98 2.71 1stzC1 TYR 69 HD2 -0.04 0.11 -0.25 -0.04 7.15 6.93 1stzC1 TYR 69 HE2 -0.04 0.06 -0.17 -0.04 6.85 6.66 1stzC1 GLN 70 H 0.04 0.23 0.10 -0.55 8.47 8.30 1stzC1 GLN 70 HA -0.22 0.18 0.83 -0.75 4.36 4.41 1stzC1 GLN 70 HB2 -0.04 -0.05 -0.04 -0.04 2.15 1.98 1stzC1 GLN 70 HB3 -0.01 -0.04 0.15 -0.04 2.02 2.08 1stzC1 GLN 70 HG2 -0.04 0.01 -0.44 -0.04 2.40 1.88 1stzC1 GLN 70 HG3 -0.04 0.20 -0.12 -0.04 2.39 2.39 1stzC1 GLN 70 HE21 -0.00 -0.15 -0.04 -0.04 6.97 6.74 1stzC1 GLN 70 HE22 -0.01 0.24 -0.28 -0.04 7.69 7.61 1stzC1 PRO 71 HA 0.04 0.09 0.59 -0.51 4.44 4.65 1stzC1 PRO 71 HB2 0.33 -0.21 0.20 -0.04 2.28 2.56 1stzC1 PRO 71 HB3 0.16 0.04 0.09 -0.04 2.02 2.27 1stzC1 PRO 71 HG2 -0.16 0.03 0.03 -0.04 2.03 1.89 1stzC1 PRO 71 HG3 -0.56 0.06 -0.03 -0.04 2.03 1.45 1stzC1 PRO 71 HD2 -0.21 0.10 0.10 -0.04 3.68 3.62 1stzC1 PRO 71 HD3 -0.68 0.25 -0.00 -0.04 3.65 3.17 1stzC1 HIS 72 H 0.29 0.01 0.02 -0.55 8.41 8.19 1stzC1 HIS 72 HA -0.01 0.19 0.37 -0.75 4.63 4.42 1stzC1 HIS 72 HB2 -0.02 -0.08 0.21 -0.04 3.26 3.33 1stzC1 HIS 72 HB3 -0.01 0.01 0.19 -0.04 3.20 3.34 1stzC1 HIS 72 HD2 -0.00 0.01 0.02 -0.04 6.97 6.95 1stzC1 HIS 72 HE1 0.02 0.03 0.00 -0.04 7.75 7.76 1stzC1 THR 73 H 0.12 0.07 0.14 -0.55 8.28 8.06 1stzC1 THR 73 HA 0.02 0.23 0.55 -0.75 4.39 4.45 1stzC1 THR 73 HB 0.03 -0.05 0.05 -0.04 4.32 4.31 1stzC1 THR 73 HG23 0.01 0.00 0.02 -0.04 1.22 1.22 1stzC1 SER 74 H 0.02 -0.08 -0.20 -0.55 8.46 7.66 1stzC1 SER 74 HA -0.01 -0.05 0.25 -0.75 4.49 3.93 1stzC1 SER 74 HB2 -0.03 -0.01 0.08 -0.04 3.95 3.95 1stzC1 SER 74 HB3 -0.03 0.06 -0.00 -0.04 3.93 3.91 1stzC1 ALA 75 H -0.01 0.05 0.14 -0.55 8.40 8.03 1stzC1 ALA 75 HA -0.01 0.21 0.62 -0.75 4.34 4.40 1stzC1 ALA 75 HB3 -0.01 -0.02 0.10 -0.04 1.41 1.45 1stzC1 GLY 76 H -0.03 -0.05 -0.29 -0.55 8.43 7.52 1stzC1 GLY 76 HA2 -0.02 0.11 0.44 -0.51 4.01 4.03 1stzC1 GLY 76 HA3 -0.03 -0.04 -0.25 -0.51 4.01 3.18 1stzC1 ARG 77 H -0.05 0.50 0.21 -0.55 8.46 8.56 1stzC1 ARG 77 HA -0.15 0.33 0.90 -0.75 4.34 4.67 1stzC1 ARG 77 HB2 -0.05 -0.03 -0.06 -0.04 1.90 1.71 1stzC1 ARG 77 HB3 -0.06 -0.03 0.01 -0.04 1.80 1.68 1stzC1 ARG 77 HG2 -0.03 -0.04 -0.14 -0.04 1.67 1.43 1stzC1 ARG 77 HG3 -0.02 -0.04 -0.12 -0.04 1.67 1.46 1stzC1 ARG 77 HD2 -0.02 -0.04 -0.26 -0.04 3.22 2.86 1stzC1 ARG 77 HD3 -0.05 0.22 -0.49 -0.04 3.22 2.85 1stzC1 ILE 78 H -0.22 0.44 0.35 -0.55 8.25 8.28 1stzC1 ILE 78 HA -0.46 0.19 0.82 -0.75 4.18 3.98 1stzC1 ILE 78 HB -0.58 -0.02 0.02 -0.04 1.89 1.27 1stzC1 ILE 78 HG12 -0.46 0.12 -0.13 -0.04 1.49 0.97 1stzC1 ILE 78 HG13 -0.28 -0.13 -0.55 -0.04 1.21 0.21 1stzC1 ILE 78 HG23 -0.49 0.06 -0.11 -0.04 0.93 0.35 1stzC1 ILE 78 HD13 -0.14 -0.01 -0.08 -0.04 0.88 0.60 1stzC1 PRO 79 HA 0.05 0.15 0.72 -0.51 4.44 4.85 1stzC1 PRO 79 HB2 0.08 0.06 -0.02 -0.04 2.28 2.36 1stzC1 PRO 79 HB3 0.05 -0.01 0.08 -0.04 2.02 2.09 1stzC1 PRO 79 HG2 0.03 0.04 0.06 -0.04 2.03 2.11 1stzC1 PRO 79 HG3 0.09 0.06 0.06 -0.04 2.03 2.20 1stzC1 PRO 79 HD2 -1.11 0.13 0.20 -0.04 3.68 2.86 1stzC1 PRO 79 HD3 -0.25 0.15 0.10 -0.04 3.65 3.61 1stzC1 THR 80 H 0.08 0.44 0.07 -0.55 8.28 8.31 1stzC1 THR 80 HA -0.04 0.19 0.65 -0.75 4.39 4.43 1stzC1 THR 80 HB -0.12 -0.13 0.20 -0.04 4.32 4.22 1stzC1 THR 80 HG23 -0.11 0.02 -0.27 -0.04 1.22 0.81 1stzC1 ASP 81 H -0.05 0.20 0.16 -0.55 8.40 8.16 1stzC1 ASP 81 HA 0.04 0.13 0.44 -0.75 4.63 4.49 1stzC1 ASP 81 HB2 -0.03 0.02 0.14 -0.04 2.71 2.80 1stzC1 ASP 81 HB3 0.01 0.09 0.06 -0.04 2.70 2.82 1stzC1 LYS 82 H -0.04 0.14 -0.07 -0.55 8.42 7.90 1stzC1 LYS 82 HA -0.00 0.08 0.51 -0.75 4.32 4.15 1stzC1 LYS 82 HB2 -0.14 -0.00 0.14 -0.04 1.87 1.83 1stzC1 LYS 82 HB3 -0.20 0.19 0.11 -0.04 1.79 1.85 1stzC1 LYS 82 HG2 -0.23 -0.08 -0.04 -0.04 1.46 1.07 1stzC1 LYS 82 HG3 -0.19 -0.01 0.04 -0.04 1.46 1.26 1stzC1 LYS 82 HD2 -0.52 0.17 -0.15 -0.04 1.69 1.15 1stzC1 LYS 82 HD3 -1.73 -0.08 -0.23 -0.04 1.68 -0.40 1stzC1 LYS 82 HE2 -0.48 0.26 0.04 -0.04 2.99 2.78 1stzC1 LYS 82 HE3 -0.35 -0.11 -0.02 -0.04 2.99 2.47 1stzC1 GLY 83 H 0.07 0.11 -0.21 -0.55 8.43 7.85 1stzC1 GLY 83 HA2 0.38 -0.00 0.46 -0.51 4.01 4.34 1stzC1 GLY 83 HA3 0.18 0.23 0.43 -0.51 4.01 4.34 1stzC1 LEU 84 H 0.11 0.38 -0.25 -0.55 8.37 8.06 1stzC1 LEU 84 HA 0.11 0.06 0.47 -0.75 4.35 4.23 1stzC1 LEU 84 HB2 0.05 0.04 0.13 -0.04 1.64 1.81 1stzC1 LEU 84 HB3 -0.04 -0.00 0.05 -0.04 1.64 1.61 1stzC1 LEU 84 HG 0.11 0.18 -0.09 -0.04 1.64 1.81 1stzC1 LEU 84 HD13 0.18 0.00 -0.11 -0.04 0.93 0.96 1stzC1 LEU 84 HD23 0.20 0.01 -0.01 -0.04 0.89 1.04 1stzC1 ARG 85 H 0.08 0.50 -0.12 -0.55 8.46 8.37 1stzC1 ARG 85 HA 0.04 0.01 0.47 -0.75 4.34 4.10 1stzC1 ARG 85 HB2 0.03 0.01 0.15 -0.04 1.90 2.06 1stzC1 ARG 85 HB3 0.09 0.14 0.21 -0.04 1.80 2.20 1stzC1 ARG 85 HG2 0.05 0.01 0.02 -0.04 1.67 1.71 1stzC1 ARG 85 HG3 0.10 0.00 -0.18 -0.04 1.67 1.55 1stzC1 ARG 85 HD2 0.09 0.01 0.02 -0.04 3.22 3.30 1stzC1 ARG 85 HD3 0.13 -0.09 0.14 -0.04 3.22 3.37 1stzC1 PHE 86 H 0.33 0.47 -0.20 -0.55 8.34 8.39 1stzC1 PHE 86 HA 0.09 0.02 0.46 -0.75 4.62 4.44 1stzC1 PHE 86 HB2 0.22 -0.01 0.10 -0.04 3.15 3.41 1stzC1 PHE 86 HB3 0.19 0.13 0.17 -0.04 3.06 3.52 1stzC1 PHE 86 HD2 0.08 0.06 -0.05 -0.04 7.28 7.33 1stzC1 PHE 86 HE2 0.08 -0.02 -0.08 -0.04 7.38 7.31 1stzC1 PHE 86 HZ 0.05 0.03 0.02 -0.04 7.32 7.38 1stzC1 TYR 87 H 0.32 0.44 -0.23 -0.55 8.29 8.27 1stzC1 TYR 87 HA -0.21 -0.00 0.38 -0.75 4.56 3.97 1stzC1 TYR 87 HB2 0.08 0.02 0.15 -0.04 3.06 3.27 1stzC1 TYR 87 HB3 -0.01 0.18 0.22 -0.04 2.98 3.33 1stzC1 TYR 87 HD2 -0.20 0.03 -0.02 -0.04 7.15 6.93 1stzC1 TYR 87 HE2 -0.24 -0.08 0.03 -0.04 6.85 6.52 1stzC1 TYR 88 H 0.08 0.54 -0.13 -0.55 8.29 8.24 1stzC1 TYR 88 HA -0.19 -0.03 0.39 -0.75 4.56 3.98 1stzC1 TYR 88 HB2 -0.41 -0.00 0.09 -0.04 3.06 2.70 1stzC1 TYR 88 HB3 -0.17 0.10 0.17 -0.04 2.98 3.04 1stzC1 TYR 88 HD2 0.02 -0.02 -0.05 -0.04 7.15 7.07 1stzC1 TYR 88 HE2 0.13 0.01 -0.04 -0.04 6.85 6.91 1stzC1 GLU 89 H -0.10 0.61 -0.08 -0.55 8.60 8.48 1stzC1 GLU 89 HA -0.38 0.03 0.48 -0.75 4.29 3.67 1stzC1 GLU 89 HB2 -0.12 0.11 0.18 -0.04 2.09 2.22 1stzC1 GLU 89 HB3 -0.12 -0.05 0.04 -0.04 1.99 1.82 1stzC1 GLU 89 HG2 0.03 0.14 0.11 -0.04 2.34 2.58 1stzC1 GLU 89 HG3 0.01 -0.05 0.02 -0.04 2.34 2.29 1stzC1 GLU 90 H -0.38 0.48 -0.26 -0.55 8.60 7.90 1stzC1 GLU 90 HA -0.26 0.03 0.36 -0.75 4.29 3.67 1stzC1 GLU 90 HB2 -0.79 0.17 0.13 -0.04 2.09 1.57 1stzC1 GLU 90 HB3 -0.33 0.05 0.09 -0.04 1.99 1.75 1stzC1 GLU 90 HG2 -0.30 -0.03 -0.01 -0.04 2.34 1.95 1stzC1 GLU 90 HG3 -0.27 -0.02 0.00 -0.04 2.34 2.00 1stzC1 MET 91 H -0.36 0.46 -0.14 -0.55 8.47 7.87 1stzC1 MET 91 HA -0.15 0.06 0.61 -0.75 4.52 4.29 1stzC1 MET 91 HB2 -0.32 0.12 0.10 -0.04 2.15 2.01 1stzC1 MET 91 HB3 -0.14 -0.07 0.04 -0.04 2.03 1.82 1stzC1 MET 91 HG2 -0.08 -0.02 0.01 -0.04 2.63 2.50 1stzC1 MET 91 HG3 -1.05 0.18 0.07 -0.04 2.56 1.72 1stzC1 MET 91 HE3 0.06 0.01 0.02 -0.04 2.10 2.15 1stzC1 LEU 92 H -0.35 0.33 -0.33 -0.55 8.37 7.47 1stzC1 LEU 92 HA -0.28 0.00 0.54 -0.75 4.35 3.86 1stzC1 LEU 92 HB2 -0.60 0.14 0.17 -0.04 1.64 1.31 1stzC1 LEU 92 HB3 -0.31 0.15 0.12 -0.04 1.64 1.57 1stzC1 LEU 92 HG -0.32 -0.05 0.06 -0.04 1.64 1.29 1stzC1 LEU 92 HD13 -0.38 -0.01 -0.01 -0.04 0.93 0.49 1stzC1 LEU 92 HD23 -0.13 0.00 -0.09 -0.04 0.89 0.63 1stzC1 LYS 93 H -0.19 0.29 -0.21 -0.55 8.42 7.76 1stzC1 LYS 93 HA -0.10 0.07 0.38 -0.75 4.32 3.91 1stzC1 LYS 93 HB2 -0.14 0.11 0.13 -0.04 1.87 1.93 1stzC1 LYS 93 HB3 -0.09 -0.03 -0.03 -0.04 1.79 1.60 1stzC1 LYS 93 HG2 -0.09 -0.01 0.02 -0.04 1.46 1.34 1stzC1 LYS 93 HG3 -0.13 0.13 0.06 -0.04 1.46 1.48 1stzC1 LYS 93 HD2 -0.08 -0.01 0.00 -0.04 1.69 1.56 1stzC1 LYS 93 HD3 -0.06 -0.02 -0.00 -0.04 1.68 1.55 1stzC1 LYS 93 HE2 -0.05 -0.01 -0.02 -0.04 2.99 2.87 1stzC1 LYS 93 HE3 -0.09 0.02 -0.06 -0.04 2.99 2.82 1stzC1 ILE 94 H -0.13 0.17 -0.31 -0.55 8.25 7.43 1stzC1 ILE 94 HA -0.07 0.03 0.41 -0.75 4.18 3.79 1stzC1 ILE 94 HB -0.08 0.06 0.10 -0.04 1.89 1.93 1stzC1 ILE 94 HG12 -0.10 -0.04 0.03 -0.04 1.49 1.33 1stzC1 ILE 94 HG13 -0.13 0.08 0.08 -0.04 1.21 1.20 1stzC1 ILE 94 HG23 -0.04 -0.02 -0.09 -0.04 0.93 0.74 1stzC1 ILE 94 HD13 -0.15 -0.03 0.01 -0.04 0.88 0.66 1stzC1 SER 95 H -0.09 0.23 -0.34 -0.55 8.46 7.72 1stzC1 SER 95 HA -0.03 0.19 0.69 -0.75 4.49 4.58 1stzC1 SER 95 HB2 -0.01 -0.03 0.05 -0.04 3.95 3.92 1stzC1 SER 95 HB3 -0.02 -0.04 -0.06 -0.04 3.93 3.77 1stzC1 MET 111 HA -0.01 -0.07 0.18 -0.75 4.52 3.86 1stzC1 MET 111 HB2 0.01 -0.02 0.03 -0.04 2.15 2.13 1stzC1 MET 111 HB3 0.01 0.02 -0.09 -0.04 2.03 1.93 1stzC1 MET 111 HG2 0.00 -0.01 0.05 -0.04 2.63 2.64 1stzC1 MET 111 HG3 0.01 -0.02 0.03 -0.04 2.56 2.53 1stzC1 MET 111 HE3 0.02 -0.00 -0.01 -0.04 2.10 2.07 1stzC1 PRO 112 HA 0.04 0.17 0.71 -0.51 4.44 4.84 1stzC1 PRO 112 HB2 0.01 -0.01 0.19 -0.04 2.28 2.43 1stzC1 PRO 112 HB3 0.01 0.01 0.11 -0.04 2.02 2.11 1stzC1 PRO 112 HG2 0.00 -0.02 0.04 -0.04 2.03 2.01 1stzC1 PRO 112 HG3 0.00 -0.01 0.06 -0.04 2.03 2.04 1stzC1 PRO 112 HD2 0.00 0.26 0.11 -0.04 3.68 4.01 1stzC1 PRO 112 HD3 0.01 0.03 0.06 -0.04 3.65 3.71 1stzC1 LEU 113 H -0.01 0.37 -0.39 -0.55 8.37 7.79 1stzC1 LEU 113 HA -0.02 0.04 0.46 -0.75 4.35 4.08 1stzC1 LEU 113 HB2 -0.15 0.06 0.01 -0.04 1.64 1.52 1stzC1 LEU 113 HB3 -0.09 -0.16 0.06 -0.04 1.64 1.41 1stzC1 LEU 113 HG -0.04 0.07 -0.15 -0.04 1.64 1.48 1stzC1 LEU 113 HD13 -0.07 -0.01 -0.07 -0.04 0.93 0.74 1stzC1 LEU 113 HD23 -0.03 0.01 -0.12 -0.04 0.89 0.71 1stzC1 ALA 114 H -0.01 0.06 0.18 -0.55 8.40 8.08 1stzC1 ALA 114 HA 0.17 0.32 0.84 -0.75 4.34 4.92 1stzC1 ALA 114 HB3 0.02 0.00 0.10 -0.04 1.41 1.50 1stzC1 ASP 115 H -0.06 0.03 0.05 -0.55 8.40 7.88 1stzC1 ASP 115 HA -0.01 0.46 0.95 -0.75 4.63 5.28 1stzC1 ASP 115 HB2 -0.04 0.07 0.16 -0.04 2.71 2.85 1stzC1 ASP 115 HB3 -0.07 -0.10 0.23 -0.04 2.70 2.72 1stzC1 PRO 116 HA -0.29 0.11 0.39 -0.51 4.44 4.14 1stzC1 PRO 116 HB2 0.17 0.01 -0.05 -0.04 2.28 2.37 1stzC1 PRO 116 HB3 0.03 0.18 0.06 -0.04 2.02 2.25 1stzC1 PRO 116 HG2 0.11 -0.10 -0.00 -0.04 2.03 2.00 1stzC1 PRO 116 HG3 0.21 0.03 -0.16 -0.04 2.03 2.07 1stzC1 PRO 116 HD2 0.04 0.14 0.06 -0.04 3.68 3.88 1stzC1 PRO 116 HD3 0.10 0.47 -0.01 -0.04 3.65 4.16 1stzC1 GLU 117 H 0.01 0.13 -0.17 -0.55 8.60 8.02 1stzC1 GLU 117 HA 0.04 0.13 0.40 -0.75 4.29 4.10 1stzC1 GLU 117 HB2 0.00 -0.06 0.12 -0.04 2.09 2.12 1stzC1 GLU 117 HB3 -0.01 0.05 -0.07 -0.04 1.99 1.92 1stzC1 GLU 117 HG2 0.05 0.02 0.02 -0.04 2.34 2.39 1stzC1 GLU 117 HG3 0.02 0.03 0.03 -0.04 2.34 2.38 1stzC1 LYS 118 H -0.05 0.10 -0.16 -0.55 8.42 7.75 1stzC1 LYS 118 HA -0.02 0.05 0.53 -0.75 4.32 4.13 1stzC1 LYS 118 HB2 -0.08 -0.02 0.12 -0.04 1.87 1.85 1stzC1 LYS 118 HB3 -0.09 0.13 0.13 -0.04 1.79 1.92 1stzC1 LYS 118 HG2 -0.06 0.00 -0.02 -0.04 1.46 1.34 1stzC1 LYS 118 HG3 -0.04 0.01 -0.24 -0.04 1.46 1.15 1stzC1 LYS 118 HD2 -0.01 -0.00 0.02 -0.04 1.69 1.65 1stzC1 LYS 118 HD3 -0.11 -0.02 0.05 -0.04 1.68 1.56 1stzC1 LYS 118 HE2 -0.07 0.01 0.00 -0.04 2.99 2.89 1stzC1 LYS 118 HE3 -0.07 -0.01 0.01 -0.04 2.99 2.88 1stzC1 VAL 119 H -0.18 0.45 -0.21 -0.55 8.24 7.75 1stzC1 VAL 119 HA -0.18 0.03 0.40 -0.75 4.13 3.63 1stzC1 VAL 119 HB -0.47 0.13 0.13 -0.04 2.12 1.86 1stzC1 VAL 119 HG13 -0.40 0.00 -0.12 -0.04 0.97 0.41 1stzC1 VAL 119 HG23 -0.88 0.04 -0.07 -0.04 0.95 0.00 1stzC1 LEU 120 H -0.05 0.49 -0.15 -0.55 8.37 8.11 1stzC1 LEU 120 HA -0.11 0.04 0.38 -0.75 4.35 3.92 1stzC1 LEU 120 HB2 0.03 0.09 0.13 -0.04 1.64 1.84 1stzC1 LEU 120 HB3 -0.03 -0.04 -0.03 -0.04 1.64 1.50 1stzC1 LEU 120 HG 0.07 0.19 0.07 -0.04 1.64 1.93 1stzC1 LEU 120 HD13 0.05 -0.02 -0.05 -0.04 0.93 0.88 1stzC1 LEU 120 HD23 -0.25 -0.01 -0.06 -0.04 0.89 0.53 1stzC1 PHE 121 H 0.13 0.49 -0.18 -0.55 8.34 8.24 1stzC1 PHE 121 HA -0.03 0.00 0.37 -0.75 4.62 4.21 1stzC1 PHE 121 HB2 -0.03 0.07 0.15 -0.04 3.15 3.29 1stzC1 PHE 121 HB3 -0.05 0.12 0.21 -0.04 3.06 3.30 1stzC1 PHE 121 HD2 -0.02 0.03 -0.07 -0.04 7.28 7.18 1stzC1 PHE 121 HE2 -0.00 0.00 -0.00 -0.04 7.38 7.33 1stzC1 PHE 121 HZ 0.00 -0.02 0.01 -0.04 7.32 7.27 1stzC1 LEU 122 H 0.09 0.58 -0.17 -0.55 8.37 8.33 1stzC1 LEU 122 HA 0.01 -0.01 0.29 -0.75 4.35 3.88 1stzC1 LEU 122 HB2 -0.02 0.13 0.14 -0.04 1.64 1.85 1stzC1 LEU 122 HB3 -0.00 -0.03 0.00 -0.04 1.64 1.57 1stzC1 LEU 122 HG 0.12 0.12 0.07 -0.04 1.64 1.91 1stzC1 LEU 122 HD13 -0.01 -0.01 -0.04 -0.04 0.93 0.84 1stzC1 LEU 122 HD23 0.12 -0.02 -0.01 -0.04 0.89 0.94 1stzC1 ALA 123 H -0.08 0.48 -0.22 -0.55 8.40 8.03 1stzC1 ALA 123 HA -0.08 0.03 0.46 -0.75 4.34 3.99 1stzC1 ALA 123 HB3 -0.14 0.03 0.06 -0.04 1.41 1.32 1stzC1 GLY 124 H -0.13 0.65 -0.15 -0.55 8.43 8.25 1stzC1 GLY 124 HA2 -0.11 0.01 0.35 -0.51 4.01 3.75 1stzC1 GLY 124 HA3 -0.15 0.09 0.23 -0.51 4.01 3.67 1stzC1 ASN 125 H -0.27 0.63 -0.12 -0.55 8.53 8.23 1stzC1 ASN 125 HA -0.17 -0.05 0.37 -0.75 4.76 4.16 1stzC1 ASN 125 HB2 -0.31 0.17 0.12 -0.04 2.88 2.82 1stzC1 ASN 125 HB3 -0.14 -0.02 -0.05 -0.04 2.79 2.54 1stzC1 ASN 125 HD21 -0.33 -0.04 0.02 -0.04 7.03 6.64 1stzC1 ASN 125 HD22 -0.22 0.02 -0.01 -0.04 7.74 7.49 1stzC1 LEU 126 H -0.08 0.44 -0.31 -0.55 8.37 7.87 1stzC1 LEU 126 HA -0.02 0.02 0.53 -0.75 4.35 4.12 1stzC1 LEU 126 HB2 -0.01 0.10 0.12 -0.04 1.64 1.81 1stzC1 LEU 126 HB3 -0.01 0.08 0.11 -0.04 1.64 1.78 1stzC1 LEU 126 HG 0.04 -0.02 -0.19 -0.04 1.64 1.42 1stzC1 LEU 126 HD13 0.01 -0.02 0.03 -0.04 0.93 0.91 1stzC1 LEU 126 HD23 0.11 0.00 -0.04 -0.04 0.89 0.93 1stzC1 LEU 127 H -0.05 0.58 -0.14 -0.55 8.37 8.21 1stzC1 LEU 127 HA -0.00 0.01 0.29 -0.75 4.35 3.90 1stzC1 LEU 127 HB2 -0.06 0.28 0.12 -0.04 1.64 1.94 1stzC1 LEU 127 HB3 -0.03 0.03 -0.01 -0.04 1.64 1.59 1stzC1 LEU 127 HG -0.07 0.00 -0.10 -0.04 1.64 1.43 1stzC1 LEU 127 HD13 0.03 -0.01 -0.17 -0.04 0.93 0.74 1stzC1 LEU 127 HD23 0.07 -0.02 -0.16 -0.04 0.89 0.73 1stzC1 ALA 128 H -0.04 0.43 -0.31 -0.55 8.40 7.94 1stzC1 ALA 128 HA 0.02 0.01 0.13 -0.75 4.34 3.74 1stzC1 ALA 128 HB3 -0.01 0.04 -0.03 -0.04 1.41 1.37 1stzC1 ARG 129 H -0.02 0.43 -0.21 -0.55 8.46 8.11 1stzC1 ARG 129 HA -0.00 -0.02 0.42 -0.75 4.34 3.98 1stzC1 ARG 129 HB2 -0.02 0.05 0.20 -0.04 1.90 2.09 1stzC1 ARG 129 HB3 -0.01 0.09 0.22 -0.04 1.80 2.06 1stzC1 ARG 129 HG2 -0.01 0.01 -0.15 -0.04 1.67 1.48 1stzC1 ARG 129 HG3 -0.00 -0.06 0.05 -0.04 1.67 1.61 1stzC1 ARG 129 HD2 -0.01 -0.05 0.00 -0.04 3.22 3.13 1stzC1 ARG 129 HD3 -0.01 0.04 0.02 -0.04 3.22 3.23 1stzC1 LEU 130 H -0.01 0.55 -0.21 -0.55 8.37 8.16 1stzC1 LEU 130 HA -0.01 0.04 0.36 -0.75 4.35 4.00 1stzC1 LEU 130 HB2 -0.00 0.21 0.08 -0.04 1.64 1.89 1stzC1 LEU 130 HB3 -0.01 -0.06 -0.01 -0.04 1.64 1.52 1stzC1 LEU 130 HG -0.02 -0.04 0.03 -0.04 1.64 1.57 1stzC1 LEU 130 HD13 -0.01 0.02 -0.04 -0.04 0.93 0.86 1stzC1 LEU 130 HD23 -0.01 -0.00 -0.03 -0.04 0.89 0.80 1stzC1 THR 131 H -0.00 0.30 -0.41 -0.55 8.28 7.61 1stzC1 THR 131 HA -0.03 0.15 0.89 -0.75 4.39 4.65 1stzC1 THR 131 HB -0.06 -0.09 0.03 -0.04 4.32 4.16 1stzC1 THR 131 HG23 -0.04 0.01 -0.14 -0.04 1.22 1.01 1stzC1 GLU 132 H 0.00 0.29 -0.19 -0.55 8.60 8.16 1stzC1 GLU 132 HA 0.02 0.01 0.38 -0.75 4.29 3.95 1stzC1 GLU 132 HB2 -0.00 0.05 0.04 -0.04 2.09 2.14 1stzC1 GLU 132 HB3 0.01 -0.04 0.19 -0.04 1.99 2.11 1stzC1 GLU 132 HG2 0.00 0.15 0.07 -0.04 2.34 2.52 1stzC1 GLU 132 HG3 -0.01 -0.02 -0.17 -0.04 2.34 2.10 1stzC1 GLY 133 H 0.04 0.25 -0.13 -0.55 8.43 8.05 1stzC1 GLY 133 HA2 0.13 0.14 0.86 -0.51 4.01 4.62 1stzC1 GLY 133 HA3 0.10 0.01 0.18 -0.51 4.01 3.79 1stzC1 TYR 134 H 0.30 0.80 0.33 -0.55 8.29 9.17 1stzC1 TYR 134 HA 0.07 0.19 0.85 -0.75 4.56 4.91 1stzC1 TYR 134 HB2 0.08 -0.03 -0.04 -0.04 3.06 3.04 1stzC1 TYR 134 HB3 0.17 -0.01 0.14 -0.04 2.98 3.24 1stzC1 TYR 134 HD2 -0.03 -0.05 -0.25 -0.04 7.15 6.79 1stzC1 TYR 134 HE2 -0.08 -0.05 -0.14 -0.04 6.85 6.54 1stzC1 VAL 135 H -0.27 0.50 0.35 -0.55 8.24 8.27 1stzC1 VAL 135 HA -0.00 0.36 0.91 -0.75 4.13 4.64 1stzC1 VAL 135 HB -0.09 -0.08 0.12 -0.04 2.12 2.02 1stzC1 VAL 135 HG13 -0.04 0.01 -0.16 -0.04 0.97 0.74 1stzC1 VAL 135 HG23 0.01 0.01 -0.23 -0.04 0.95 0.69 1stzC1 LEU 136 H 0.06 0.56 0.33 -0.55 8.37 8.77 1stzC1 LEU 136 HA -0.05 0.28 0.80 -0.75 4.35 4.63 1stzC1 LEU 136 HB2 0.11 -0.04 0.14 -0.04 1.64 1.80 1stzC1 LEU 136 HB3 -0.12 0.01 -0.07 -0.04 1.64 1.41 1stzC1 LEU 136 HG -0.15 -0.04 -0.29 -0.04 1.64 1.11 1stzC1 LEU 136 HD13 -0.30 -0.00 -0.09 -0.04 0.93 0.50 1stzC1 LEU 136 HD23 -0.15 0.03 -0.05 -0.04 0.89 0.68 1stzC1 ILE 137 H 0.09 0.67 0.22 -0.55 8.25 8.68 1stzC1 ILE 137 HA 0.14 0.24 1.08 -0.75 4.18 4.89 1stzC1 ILE 137 HB 0.01 -0.07 0.10 -0.04 1.89 1.89 1stzC1 ILE 137 HG12 -0.05 0.05 -0.08 -0.04 1.49 1.37 1stzC1 ILE 137 HG13 -0.03 -0.07 -0.22 -0.04 1.21 0.84 1stzC1 ILE 137 HG23 -0.07 0.02 -0.23 -0.04 0.93 0.61 1stzC1 ILE 137 HD13 -0.13 0.02 -0.10 -0.04 0.88 0.63 1stzC1 GLU 138 H 0.27 0.77 0.27 -0.55 8.60 9.37 1stzC1 GLU 138 HA -0.12 0.11 0.66 -0.75 4.29 4.20 1stzC1 GLU 138 HB2 0.28 -0.01 0.18 -0.04 2.09 2.50 1stzC1 GLU 138 HB3 0.03 -0.21 0.29 -0.04 1.99 2.06 1stzC1 GLU 138 HG2 -0.18 0.32 -0.01 -0.04 2.34 2.43 1stzC1 GLU 138 HG3 -0.53 -0.04 0.04 -0.04 2.34 1.78 1stzC1 ARG 139 H -0.07 0.47 0.37 -0.55 8.46 8.69 1stzC1 ARG 139 HA 0.03 0.02 0.58 -0.75 4.34 4.21 1stzC1 ARG 139 HB2 -0.03 0.10 0.09 -0.04 1.90 2.02 1stzC1 ARG 139 HB3 0.02 0.02 -0.03 -0.04 1.80 1.77 1stzC1 ARG 139 HG2 0.04 -0.08 0.01 -0.04 1.67 1.60 1stzC1 ARG 139 HG3 0.02 -0.02 -0.01 -0.04 1.67 1.62 1stzC1 ARG 139 HD2 0.02 0.29 -0.09 -0.04 3.22 3.39 1stzC1 ARG 139 HD3 0.03 -0.06 -0.04 -0.04 3.22 3.11 1stzC1 PRO 140 HA -0.12 0.16 0.45 -0.51 4.44 4.43 1stzC1 PRO 140 HB2 0.13 -0.05 -0.04 -0.04 2.28 2.29 1stzC1 PRO 140 HB3 -0.07 0.04 0.05 -0.04 2.02 2.01 1stzC1 PRO 140 HG2 -0.00 -0.03 0.02 -0.04 2.03 1.97 1stzC1 PRO 140 HG3 -0.42 0.07 0.02 -0.04 2.03 1.66 1stzC1 PRO 140 HD2 0.05 0.02 0.14 -0.04 3.68 3.84 1stzC1 PRO 140 HD3 0.02 0.17 0.15 -0.04 3.65 3.95 1stzC1 ASN 141 H -0.03 0.20 0.22 -0.55 8.53 8.37 1stzC1 ASN 141 HA -0.01 0.09 0.59 -0.75 4.76 4.68 1stzC1 ASN 141 HB2 -0.03 0.11 0.17 -0.04 2.88 3.08 1stzC1 ASN 141 HB3 -0.00 0.05 0.18 -0.04 2.79 2.97 1stzC1 ASN 141 HD21 -0.00 -0.04 0.06 -0.04 7.03 7.01 1stzC1 ASN 141 HD22 -0.02 0.14 0.10 -0.04 7.74 7.91 1stzC1 THR 142 H 0.02 0.18 0.20 -0.55 8.28 8.13 1stzC1 THR 142 HA 0.07 0.18 0.62 -0.75 4.39 4.52 1stzC1 THR 142 HB 0.04 -0.08 0.08 -0.04 4.32 4.33 1stzC1 THR 142 HG23 0.06 0.06 -0.03 -0.04 1.22 1.27 1stzC1 ARG 143 H 0.01 0.13 -0.07 -0.55 8.46 7.98 1stzC1 ARG 143 HA 0.01 -0.00 0.37 -0.75 4.34 3.96 1stzC1 ARG 143 HB2 0.00 0.02 0.11 -0.04 1.90 1.99 1stzC1 ARG 143 HB3 0.00 0.02 0.05 -0.04 1.80 1.83 1stzC1 ARG 143 HG2 0.00 0.04 -0.04 -0.04 1.67 1.63 1stzC1 ARG 143 HG3 0.00 0.02 -0.14 -0.04 1.67 1.51 1stzC1 ARG 143 HD2 0.00 0.01 -0.02 -0.04 3.22 3.18 1stzC1 ARG 143 HD3 0.00 -0.04 0.02 -0.04 3.22 3.17 1stzC1 ASP 144 H 0.02 0.14 -0.31 -0.55 8.40 7.70 1stzC1 ASP 144 HA -0.00 0.19 0.71 -0.75 4.63 4.77 1stzC1 ASP 144 HB2 0.00 -0.04 -0.02 -0.04 2.71 2.61 1stzC1 ASP 144 HB3 0.00 0.06 -0.02 -0.04 2.70 2.70 1stzC1 LEU 145 H 0.01 0.34 -0.39 -0.55 8.37 7.78 1stzC1 LEU 145 HA -0.05 0.08 0.42 -0.75 4.35 4.05 1stzC1 LEU 145 HB2 0.05 -0.03 0.21 -0.04 1.64 1.83 1stzC1 LEU 145 HB3 0.03 -0.08 0.19 -0.04 1.64 1.74 1stzC1 LEU 145 HG 0.19 0.14 -0.02 -0.04 1.64 1.91 1stzC1 LEU 145 HD13 0.15 -0.01 -0.04 -0.04 0.93 0.99 1stzC1 LEU 145 HD23 -0.22 0.01 0.03 -0.04 0.89 0.66 1stzC1 LYS 146 H -0.06 0.18 0.26 -0.55 8.42 8.24 1stzC1 LYS 146 HA -0.02 0.13 0.31 -0.75 4.32 3.99 1stzC1 LYS 146 HB2 -0.05 -0.05 0.15 -0.04 1.87 1.87 1stzC1 LYS 146 HB3 -0.04 0.02 -0.16 -0.04 1.79 1.57 1stzC1 LYS 146 HG2 -0.02 0.10 -0.25 -0.04 1.46 1.25 1stzC1 LYS 146 HG3 -0.03 0.01 -0.07 -0.04 1.46 1.33 1stzC1 LYS 146 HD2 -0.03 -0.04 0.01 -0.04 1.69 1.58 1stzC1 LYS 146 HD3 -0.03 -0.02 -0.01 -0.04 1.68 1.58 1stzC1 LYS 146 HE2 -0.02 -0.06 0.03 -0.04 2.99 2.90 1stzC1 LYS 146 HE3 -0.02 0.24 0.07 -0.04 2.99 3.24 1stzC1 ILE 147 H -0.01 0.70 0.37 -0.55 8.25 8.77 1stzC1 ILE 147 HA -0.00 0.11 0.82 -0.75 4.18 4.35 1stzC1 ILE 147 HB 0.01 0.27 0.24 -0.04 1.89 2.37 1stzC1 ILE 147 HG12 0.03 -0.04 0.01 -0.04 1.49 1.44 1stzC1 ILE 147 HG13 0.02 -0.03 0.05 -0.04 1.21 1.21 1stzC1 ILE 147 HG23 0.03 -0.04 -0.21 -0.04 0.93 0.67 1stzC1 ILE 147 HD13 0.05 0.00 -0.13 -0.04 0.88 0.76 1stzC1 LEU 148 H -0.02 0.68 0.36 -0.55 8.37 8.84 1stzC1 LEU 148 HA -0.02 0.08 0.67 -0.75 4.35 4.33 1stzC1 LEU 148 HB2 -0.02 0.01 -0.05 -0.04 1.64 1.53 1stzC1 LEU 148 HB3 -0.02 -0.02 0.02 -0.04 1.64 1.58 1stzC1 LEU 148 HG -0.05 0.09 -0.07 -0.04 1.64 1.57 1stzC1 LEU 148 HD13 -0.05 -0.01 -0.24 -0.04 0.93 0.59 1stzC1 LEU 148 HD23 -0.04 -0.00 -0.06 -0.04 0.89 0.75 1stzC1 ARG 149 H -0.00 0.22 0.13 -0.55 8.46 8.25 1stzC1 ARG 149 HA 0.02 0.09 0.55 -0.75 4.34 4.25 1stzC1 ARG 149 HB2 -0.00 0.15 -0.37 -0.04 1.90 1.64 1stzC1 ARG 149 HB3 -0.01 -0.10 -0.07 -0.04 1.80 1.59 1stzC1 ARG 149 HG2 0.02 0.03 -0.25 -0.04 1.67 1.43 1stzC1 ARG 149 HG3 0.02 0.02 0.09 -0.04 1.67 1.77 1stzC1 ARG 149 HD2 0.01 0.03 -0.03 -0.04 3.22 3.18 1stzC1 ARG 149 HD3 -0.00 -0.03 -0.10 -0.04 3.22 3.04 1stzC1 VAL 150 H 0.05 0.20 0.15 -0.55 8.24 8.10 1stzC1 VAL 150 HA 0.04 0.26 1.11 -0.75 4.13 4.78 1stzC1 VAL 150 HB 0.13 -0.04 0.03 -0.04 2.12 2.20 1stzC1 VAL 150 HG13 0.32 0.01 -0.11 -0.04 0.97 1.15 1stzC1 VAL 150 HG23 0.12 0.01 -0.20 -0.04 0.95 0.83 1stzC1 MET 151 H -0.01 0.68 0.31 -0.55 8.47 8.91 1stzC1 MET 151 HA 0.06 0.13 0.95 -0.75 4.52 4.91 1stzC1 MET 151 HB2 -0.07 -0.00 0.04 -0.04 2.15 2.08 1stzC1 MET 151 HB3 -0.01 0.02 -0.10 -0.04 2.03 1.90 1stzC1 MET 151 HG2 0.00 0.02 -0.14 -0.04 2.63 2.48 1stzC1 MET 151 HG3 0.01 -0.02 -0.70 -0.04 2.56 1.81 1stzC1 MET 151 HE3 -0.07 0.02 -0.46 -0.04 2.10 1.55 1stzC1 LEU 152 H 0.11 0.22 0.13 -0.55 8.37 8.28 1stzC1 LEU 152 HA 0.14 0.26 0.78 -0.75 4.35 4.77 1stzC1 LEU 152 HB2 0.16 -0.02 0.16 -0.04 1.64 1.90 1stzC1 LEU 152 HB3 0.06 -0.03 -0.05 -0.04 1.64 1.58 1stzC1 LEU 152 HG 0.28 -0.01 -0.17 -0.04 1.64 1.70 1stzC1 LEU 152 HD13 0.35 -0.01 -0.10 -0.04 0.93 1.12 1stzC1 LEU 152 HD23 0.37 0.04 -0.04 -0.04 0.89 1.22 1stzC1 ILE 153 H -0.01 0.61 0.12 -0.55 8.25 8.43 1stzC1 ILE 153 HA -0.02 0.22 0.96 -0.75 4.18 4.58 1stzC1 ILE 153 HB -0.03 -0.07 0.16 -0.04 1.89 1.92 1stzC1 ILE 153 HG12 -0.00 0.03 -0.12 -0.04 1.49 1.36 1stzC1 ILE 153 HG13 0.00 -0.14 -0.45 -0.04 1.21 0.59 1stzC1 ILE 153 HG23 -0.02 0.04 -0.10 -0.04 0.93 0.81 1stzC1 ILE 153 HD13 -0.02 0.01 -0.11 -0.04 0.88 0.72 1stzC1 PRO 154 HA -0.25 0.09 0.78 -0.51 4.44 4.54 1stzC1 PRO 154 HB2 -0.05 0.02 0.02 -0.04 2.28 2.23 1stzC1 PRO 154 HB3 -0.23 0.10 0.09 -0.04 2.02 1.94 1stzC1 PRO 154 HG2 0.04 -0.01 0.07 -0.04 2.03 2.08 1stzC1 PRO 154 HG3 -0.49 -0.02 0.02 -0.04 2.03 1.49 1stzC1 PRO 154 HD2 -0.02 0.11 0.23 -0.04 3.68 3.96 1stzC1 PRO 154 HD3 -0.06 0.26 -0.00 -0.04 3.65 3.80 1stzC1 VAL 155 H -0.06 0.56 0.46 -0.55 8.24 8.65 1stzC1 VAL 155 HA -0.01 0.17 0.86 -0.75 4.13 4.40 1stzC1 VAL 155 HB 0.03 -0.02 -0.00 -0.04 2.12 2.09 1stzC1 VAL 155 HG13 0.02 -0.01 -0.13 -0.04 0.97 0.80 1stzC1 VAL 155 HG23 -0.02 0.03 -0.12 -0.04 0.95 0.80 1stzC1 SER 156 H 0.01 0.35 0.34 -0.55 8.46 8.62 1stzC1 SER 156 HA 0.01 0.19 0.38 -0.75 4.49 4.32 1stzC1 SER 156 HB2 0.02 -0.07 0.24 -0.04 3.95 4.11 1stzC1 SER 156 HB3 0.06 0.18 0.03 -0.04 3.93 4.17 1stzC1 GLU 157 H -0.00 0.18 0.16 -0.55 8.60 8.39 1stzC1 GLU 157 HA 0.03 0.11 0.49 -0.75 4.29 4.16 1stzC1 GLU 157 HB2 -0.01 -0.04 0.16 -0.04 2.09 2.16 1stzC1 GLU 157 HB3 -0.01 0.08 -0.04 -0.04 1.99 1.98 1stzC1 GLU 157 HG2 0.04 0.02 0.08 -0.04 2.34 2.43 1stzC1 GLU 157 HG3 0.02 -0.01 0.06 -0.04 2.34 2.36 1stzC1 ASP 158 H -0.13 -0.04 -0.19 -0.55 8.40 7.49 1stzC1 ASP 158 HA -0.20 0.35 0.71 -0.75 4.63 4.74 1stzC1 ASP 158 HB2 -0.58 -0.04 0.05 -0.04 2.71 2.10 1stzC1 ASP 158 HB3 -0.81 0.01 0.05 -0.04 2.70 1.91 1stzC1 TYR 159 H -0.07 0.08 -0.10 -0.55 8.29 7.65 1stzC1 TYR 159 HA -0.07 0.38 1.23 -0.75 4.56 5.35 1stzC1 TYR 159 HB2 -0.05 -0.12 -0.02 -0.04 3.06 2.83 1stzC1 TYR 159 HB3 -0.05 0.10 0.01 -0.04 2.98 3.00 1stzC1 TYR 159 HD2 -0.02 0.02 -0.11 -0.04 7.15 7.00 1stzC1 TYR 159 HE2 -0.00 0.01 -0.06 -0.04 6.85 6.75 1stzC1 LEU 160 H 0.00 0.62 0.41 -0.55 8.37 8.85 1stzC1 LEU 160 HA -0.11 0.14 0.72 -0.75 4.35 4.35 1stzC1 LEU 160 HB2 -0.30 -0.01 -0.33 -0.04 1.64 0.97 1stzC1 LEU 160 HB3 -0.55 0.01 -0.13 -0.04 1.64 0.92 1stzC1 LEU 160 HG -0.24 0.02 -0.08 -0.04 1.64 1.30 1stzC1 LEU 160 HD13 0.02 -0.01 -0.41 -0.04 0.93 0.48 1stzC1 LEU 160 HD23 -1.34 -0.01 -0.16 -0.04 0.89 -0.66 1stzC1 ILE 161 H -0.05 0.57 0.24 -0.55 8.25 8.46 1stzC1 ILE 161 HA 0.03 0.22 1.00 -0.75 4.18 4.68 1stzC1 ILE 161 HB -0.02 0.00 0.10 -0.04 1.89 1.93 1stzC1 ILE 161 HG12 -0.03 0.01 -0.06 -0.04 1.49 1.38 1stzC1 ILE 161 HG13 -0.02 -0.08 -0.42 -0.04 1.21 0.64 1stzC1 ILE 161 HG23 -0.03 -0.00 -0.25 -0.04 0.93 0.61 1stzC1 ILE 161 HD13 -0.04 0.01 -0.08 -0.04 0.88 0.73 1stzC1 PHE 162 H 0.18 0.64 0.27 -0.55 8.34 8.88 1stzC1 PHE 162 HA 0.02 0.37 1.08 -0.75 4.62 5.34 1stzC1 PHE 162 HB2 0.06 -0.11 0.09 -0.04 3.15 3.15 1stzC1 PHE 162 HB3 0.02 0.11 0.23 -0.04 3.06 3.37 1stzC1 PHE 162 HD2 0.03 0.00 0.01 -0.04 7.28 7.29 1stzC1 PHE 162 HE2 0.02 -0.03 -0.06 -0.04 7.38 7.26 1stzC1 PHE 162 HZ 0.02 -0.02 -0.10 -0.04 7.32 7.17 1stzC1 SER 163 H -0.43 0.53 0.39 -0.55 8.46 8.41 1stzC1 SER 163 HA -0.90 0.25 0.09 -0.75 4.49 3.18 1stzC1 SER 163 HB2 -0.22 0.06 0.08 -0.04 3.95 3.83 1stzC1 SER 163 HB3 -0.22 0.01 0.05 -0.04 3.93 3.73 1stzC1 ILE 164 H -0.29 0.61 0.29 -0.55 8.25 8.31 1stzC1 ILE 164 HA -0.12 0.25 1.06 -0.75 4.18 4.61 1stzC1 ILE 164 HB -0.02 0.05 0.12 -0.04 1.89 2.00 1stzC1 ILE 164 HG12 -0.08 0.08 -0.09 -0.04 1.49 1.36 1stzC1 ILE 164 HG13 -0.04 -0.11 -0.19 -0.04 1.21 0.83 1stzC1 ILE 164 HG23 0.01 -0.01 -0.09 -0.04 0.93 0.81 1stzC1 ILE 164 HD13 0.04 0.01 -0.09 -0.04 0.88 0.79 1stzC1 LEU 165 H -0.03 0.58 0.37 -0.55 8.37 8.74 1stzC1 LEU 165 HA -0.03 0.23 0.96 -0.75 4.35 4.76 1stzC1 LEU 165 HB2 -0.03 -0.02 0.07 -0.04 1.64 1.62 1stzC1 LEU 165 HB3 -0.02 -0.10 0.06 -0.04 1.64 1.54 1stzC1 LEU 165 HG -0.03 -0.03 -0.04 -0.04 1.64 1.50 1stzC1 LEU 165 HD13 -0.02 -0.01 -0.08 -0.04 0.93 0.78 1stzC1 LEU 165 HD23 -0.02 0.03 0.01 -0.04 0.89 0.87 1stzC1 THR 166 H -0.01 0.85 0.42 -0.55 8.28 8.99 1stzC1 THR 166 HA -0.05 0.22 0.75 -0.75 4.39 4.56 1stzC1 THR 166 HB 0.01 -0.02 -0.11 -0.04 4.32 4.16 1stzC1 THR 166 HG23 0.04 -0.11 -0.05 -0.04 1.22 1.05 1stzC1 GLU 167 H -0.21 0.18 0.21 -0.55 8.60 8.23 1stzC1 GLU 167 HA -0.11 0.13 0.52 -0.75 4.29 4.07 1stzC1 GLU 167 HB2 -0.20 0.10 0.15 -0.04 2.09 2.10 1stzC1 GLU 167 HB3 -0.23 -0.03 0.18 -0.04 1.99 1.87 1stzC1 GLU 167 HG2 -0.86 -0.12 0.10 -0.04 2.34 1.42 1stzC1 GLU 167 HG3 -1.26 0.10 -0.27 -0.04 2.34 0.87 1stzC1 PHE 168 H -0.15 -0.05 -0.21 -0.55 8.34 7.37 1stzC1 PHE 168 HA -0.02 0.27 0.78 -0.75 4.62 4.90 1stzC1 PHE 168 HB2 0.12 -0.07 -0.02 -0.04 3.15 3.14 1stzC1 PHE 168 HB3 0.12 -0.01 0.11 -0.04 3.06 3.25 1stzC1 PHE 168 HD2 0.18 0.08 -0.05 -0.04 7.28 7.45 1stzC1 PHE 168 HE2 0.13 0.05 -0.05 -0.04 7.38 7.47 1stzC1 PHE 168 HZ 0.05 0.02 -0.02 -0.04 7.32 7.33 1stzC1 GLY 169 H 0.04 0.34 -0.27 -0.55 8.43 7.99 1stzC1 GLY 169 HA2 0.02 0.03 0.30 -0.51 4.01 3.85 1stzC1 GLY 169 HA3 0.08 0.40 1.05 -0.51 4.01 5.02 1stzC1 VAL 170 H 0.02 0.57 0.30 -0.55 8.24 8.57 1stzC1 VAL 170 HA -0.03 0.30 1.01 -0.75 4.13 4.65 1stzC1 VAL 170 HB -0.03 -0.08 0.10 -0.04 2.12 2.08 1stzC1 VAL 170 HG13 -0.07 -0.01 -0.11 -0.04 0.97 0.74 1stzC1 VAL 170 HG23 -0.02 0.01 -0.02 -0.04 0.95 0.87 1stzC1 SER 171 H -0.05 0.64 0.35 -0.55 8.46 8.86 1stzC1 SER 171 HA -0.01 0.08 0.94 -0.75 4.49 4.74 1stzC1 SER 171 HB2 0.01 0.05 -0.07 -0.04 3.95 3.90 1stzC1 SER 171 HB3 0.03 -0.04 0.04 -0.04 3.93 3.92 1stzC1 LYS 172 H -0.00 0.12 0.16 -0.55 8.42 8.14 1stzC1 LYS 172 HA 0.03 0.07 0.30 -0.75 4.32 3.96 1stzC1 LYS 172 HB2 -0.04 0.05 0.10 -0.04 1.87 1.94 1stzC1 LYS 172 HB3 0.17 0.06 0.07 -0.04 1.79 2.05 1stzC1 LYS 172 HG2 0.03 -0.18 -0.28 -0.04 1.46 0.99 1stzC1 LYS 172 HG3 0.09 0.03 -0.10 -0.04 1.46 1.44 1stzC1 LYS 172 HD2 0.09 0.13 -0.03 -0.04 1.69 1.84 1stzC1 LYS 172 HD3 0.05 -0.07 0.03 -0.04 1.68 1.65 1stzC1 LYS 172 HE2 0.06 -0.10 -0.02 -0.04 2.99 2.89 1stzC1 LYS 172 HE3 0.07 0.08 0.04 -0.04 2.99 3.15 1stzC1 VAL 173 H -0.05 -0.04 -0.17 -0.55 8.24 7.43 1stzC1 VAL 173 HA -0.13 0.27 0.51 -0.75 4.13 4.03 1stzC1 VAL 173 HB -0.05 -0.05 0.07 -0.04 2.12 2.06 1stzC1 VAL 173 HG13 -0.05 0.00 -0.11 -0.04 0.97 0.77 1stzC1 VAL 173 HG23 -0.07 -0.03 -0.11 -0.04 0.95 0.70 1stzC1 THR 174 H 0.03 0.54 0.29 -0.55 8.28 8.59 1stzC1 THR 174 HA 0.04 0.17 0.93 -0.75 4.39 4.77 1stzC1 THR 174 HB 0.31 -0.11 0.14 -0.04 4.32 4.63 1stzC1 THR 174 HG23 0.06 0.02 -0.09 -0.04 1.22 1.17 1stzC1 PRO 175 HA 0.02 0.21 0.92 -0.51 4.44 5.07 1stzC1 PRO 175 HB2 -0.04 -0.01 0.03 -0.04 2.28 2.23 1stzC1 PRO 175 HB3 -0.07 0.01 0.09 -0.04 2.02 2.01 1stzC1 PRO 175 HG2 -0.05 0.03 0.07 -0.04 2.03 2.04 1stzC1 PRO 175 HG3 -0.04 0.02 0.03 -0.04 2.03 2.00 1stzC1 PRO 175 HD2 -0.00 0.11 0.24 -0.04 3.68 3.99 1stzC1 PRO 175 HD3 -0.01 0.16 0.02 -0.04 3.65 3.78 1stzC1 ILE 176 H 0.06 0.65 0.41 -0.55 8.25 8.81 1stzC1 ILE 176 HA 0.08 0.13 0.88 -0.75 4.18 4.51 1stzC1 ILE 176 HB 0.09 -0.07 0.03 -0.04 1.89 1.90 1stzC1 ILE 176 HG12 0.04 0.05 -0.14 -0.04 1.49 1.40 1stzC1 ILE 176 HG13 0.09 0.12 -0.54 -0.04 1.21 0.85 1stzC1 ILE 176 HG23 0.20 -0.01 -0.18 -0.04 0.93 0.90 1stzC1 ILE 176 HD13 0.02 -0.02 -0.08 -0.04 0.88 0.76 1stzC1 LYS 177 H 0.11 0.17 0.17 -0.55 8.42 8.31 1stzC1 LYS 177 HA 0.12 0.26 0.83 -0.75 4.32 4.77 1stzC1 LYS 177 HB2 0.15 -0.00 0.11 -0.04 1.87 2.09 1stzC1 LYS 177 HB3 0.08 -0.04 0.15 -0.04 1.79 1.94 1stzC1 LYS 177 HG2 0.01 -0.05 -0.11 -0.04 1.46 1.27 1stzC1 LYS 177 HG3 -0.06 0.12 0.07 -0.04 1.46 1.54 1stzC1 LYS 177 HD2 0.04 -0.01 -0.02 -0.04 1.69 1.66 1stzC1 LYS 177 HD3 0.19 -0.00 -0.01 -0.04 1.68 1.82 1stzC1 LYS 177 HE2 0.09 0.01 0.01 -0.04 2.99 3.06 1stzC1 LYS 177 HE3 0.06 -0.02 0.00 -0.04 2.99 2.99 1stzC1 THR 178 H -0.05 0.73 0.21 -0.55 8.28 8.61 1stzC1 THR 178 HA 0.15 0.09 1.06 -0.75 4.39 4.93 1stzC1 THR 178 HB -0.04 -0.05 -0.19 -0.04 4.32 3.99 1stzC1 THR 178 HG23 -0.03 0.04 -0.17 -0.04 1.22 1.02 1stzC1 GLN 179 H 0.10 0.14 0.11 -0.55 8.47 8.28 1stzC1 GLN 179 HA 0.02 0.11 0.50 -0.75 4.36 4.24 1stzC1 GLN 179 HB2 0.06 -0.06 0.12 -0.04 2.15 2.22 1stzC1 GLN 179 HB3 0.03 0.01 0.02 -0.04 2.02 2.04 1stzC1 GLN 179 HG2 0.02 0.03 0.01 -0.04 2.40 2.42 1stzC1 GLN 179 HG3 0.05 0.02 0.04 -0.04 2.39 2.46 1stzC1 GLN 179 HE21 0.02 0.00 0.00 -0.04 6.97 6.96 1stzC1 GLN 179 HE22 0.03 0.01 -0.00 -0.04 7.69 7.69 1stzC1 GLU 180 H 0.11 0.02 -0.02 -0.55 8.60 8.16 1stzC1 GLU 180 HA 0.02 0.27 0.96 -0.75 4.29 4.78 1stzC1 GLU 180 HB2 -0.05 0.01 -0.13 -0.04 2.09 1.87 1stzC1 GLU 180 HB3 -0.00 0.05 -0.02 -0.04 1.99 1.98 1stzC1 GLU 180 HG2 0.06 -0.05 0.04 -0.04 2.34 2.35 1stzC1 GLU 180 HG3 -0.03 -0.02 -0.08 -0.04 2.34 2.17 1stzC1 ARG 181 H -0.02 0.17 0.08 -0.55 8.46 8.14 1stzC1 ARG 181 HA 0.11 0.19 0.75 -0.75 4.34 4.63 1stzC1 ARG 181 HB2 0.02 0.03 0.12 -0.04 1.90 2.03 1stzC1 ARG 181 HB3 -0.05 -0.03 0.23 -0.04 1.80 1.92 1stzC1 ARG 181 HG2 0.07 0.07 0.02 -0.04 1.67 1.78 1stzC1 ARG 181 HG3 0.10 0.02 0.04 -0.04 1.67 1.79 1stzC1 ARG 181 HD2 -0.05 -0.02 -0.02 -0.04 3.22 3.09 1stzC1 ARG 181 HD3 0.03 -0.01 0.01 -0.04 3.22 3.21 1stzC1 LEU 182 H -0.75 0.30 0.00 -0.55 8.37 7.37 1stzC1 LEU 182 HA -0.49 0.12 0.47 -0.75 4.35 3.70 1stzC1 LEU 182 HB2 -2.19 0.03 -0.06 -0.04 1.64 -0.62 1stzC1 LEU 182 HB3 -0.75 -0.08 0.03 -0.04 1.64 0.80 1stzC1 LEU 182 HG -0.37 0.08 -0.14 -0.04 1.64 1.17 1stzC1 LEU 182 HD13 -0.24 -0.01 -0.03 -0.04 0.93 0.61 1stzC1 LEU 182 HD23 -0.19 0.01 -0.10 -0.04 0.89 0.57 1stzC1 ASN 183 H -0.47 0.15 0.08 -0.55 8.53 7.75 1stzC1 ASN 183 HA -0.34 0.18 0.66 -0.75 4.76 4.50 1stzC1 ASN 183 HB2 -0.19 0.11 0.12 -0.04 2.88 2.88 1stzC1 ASN 183 HB3 -0.19 -0.02 0.24 -0.04 2.79 2.78 1stzC1 ASN 183 HD21 -0.06 0.05 0.03 -0.04 7.03 7.02 1stzC1 ASN 183 HD22 -0.09 0.07 0.05 -0.04 7.74 7.73 1stzC1 TRP 184 H -0.47 0.42 0.13 -0.55 7.97 7.50 1stzC1 TRP 184 HA -0.11 0.02 0.21 -0.75 4.62 3.99 1stzC1 TRP 184 HB2 -0.04 0.03 0.09 -0.04 3.23 3.27 1stzC1 TRP 184 HB3 -0.05 0.06 -0.01 -0.04 3.23 3.19 1stzC1 TRP 184 HD1 -0.05 -0.00 0.06 -0.04 7.22 7.19 1stzC1 TRP 184 HE1 -0.08 0.05 0.04 -0.04 10.20 10.18 1stzC1 TRP 184 HE3 -0.38 -0.05 -0.10 -0.04 7.59 7.02 1stzC1 TRP 184 HZ2 -0.14 0.29 0.09 -0.04 7.44 7.64 1stzC1 TRP 184 HZ3 -2.09 -0.03 -0.09 -0.04 7.13 4.87 1stzC1 TRP 184 HH2 -0.40 0.00 -0.03 -0.04 7.19 6.72 1stzC1 GLU 185 H 0.11 0.12 -0.06 -0.55 8.60 8.22 1stzC1 GLU 185 HA 0.10 0.15 0.49 -0.75 4.29 4.28 1stzC1 GLU 185 HB2 0.07 0.02 0.13 -0.04 2.09 2.26 1stzC1 GLU 185 HB3 0.03 -0.01 0.02 -0.04 1.99 1.98 1stzC1 GLU 185 HG2 0.03 0.03 -0.03 -0.04 2.34 2.32 1stzC1 GLU 185 HG3 0.05 0.02 0.09 -0.04 2.34 2.46 1stzC1 GLU 186 H -0.01 0.08 -0.22 -0.55 8.60 7.89 1stzC1 GLU 186 HA 0.01 0.10 0.49 -0.75 4.29 4.13 1stzC1 GLU 186 HB2 -0.04 0.00 0.10 -0.04 2.09 2.11 1stzC1 GLU 186 HB3 -0.06 0.08 0.12 -0.04 1.99 2.09 1stzC1 GLU 186 HG2 -0.05 0.01 -0.00 -0.04 2.34 2.26 1stzC1 GLU 186 HG3 -0.03 -0.01 -0.24 -0.04 2.34 2.02 1stzC1 ILE 187 H 0.01 0.46 -0.12 -0.55 8.25 8.05 1stzC1 ILE 187 HA 0.07 0.01 0.43 -0.75 4.18 3.93 1stzC1 ILE 187 HB 0.15 0.10 0.10 -0.04 1.89 2.20 1stzC1 ILE 187 HG12 0.04 -0.10 0.00 -0.04 1.49 1.39 1stzC1 ILE 187 HG13 -0.08 0.09 0.03 -0.04 1.21 1.22 1stzC1 ILE 187 HG23 0.30 -0.01 -0.19 -0.04 0.93 0.99 1stzC1 ILE 187 HD13 -0.27 -0.03 -0.17 -0.04 0.88 0.37 1stzC1 GLU 188 H 0.14 0.67 -0.06 -0.55 8.60 8.81 1stzC1 GLU 188 HA 0.16 -0.01 0.40 -0.75 4.29 4.08 1stzC1 GLU 188 HB2 0.15 0.05 0.19 -0.04 2.09 2.44 1stzC1 GLU 188 HB3 0.11 0.13 0.22 -0.04 1.99 2.40 1stzC1 GLU 188 HG2 0.09 0.02 -0.08 -0.04 2.34 2.34 1stzC1 GLU 188 HG3 0.12 -0.04 0.06 -0.04 2.34 2.44 1stzC1 ARG 189 H 0.07 0.49 -0.18 -0.55 8.46 8.29 1stzC1 ARG 189 HA 0.08 0.03 0.42 -0.75 4.34 4.12 1stzC1 ARG 189 HB2 0.04 -0.01 0.12 -0.04 1.90 2.01 1stzC1 ARG 189 HB3 0.03 0.06 0.24 -0.04 1.80 2.09 1stzC1 ARG 189 HG2 -0.01 0.02 -0.25 -0.04 1.67 1.39 1stzC1 ARG 189 HG3 0.04 -0.02 -0.08 -0.04 1.67 1.57 1stzC1 ARG 189 HD2 -0.01 -0.04 0.01 -0.04 3.22 3.13 1stzC1 ARG 189 HD3 -0.04 -0.00 -0.03 -0.04 3.22 3.11 1stzC1 GLN 190 H 0.06 0.53 -0.07 -0.55 8.47 8.45 1stzC1 GLN 190 HA 0.09 0.03 0.50 -0.75 4.36 4.23 1stzC1 GLN 190 HB2 0.07 0.07 0.18 -0.04 2.15 2.42 1stzC1 GLN 190 HB3 0.07 -0.04 0.03 -0.04 2.02 2.03 1stzC1 GLN 190 HG2 -0.04 -0.01 0.04 -0.04 2.40 2.36 1stzC1 GLN 190 HG3 -0.01 0.12 0.09 -0.04 2.39 2.55 1stzC1 GLN 190 HE21 -0.03 -0.03 -0.01 -0.04 6.97 6.86 1stzC1 GLN 190 HE22 -0.04 0.01 -0.01 -0.04 7.69 7.61 1stzC1 LEU 191 H 0.12 0.58 -0.15 -0.55 8.37 8.37 1stzC1 LEU 191 HA 0.11 -0.01 0.34 -0.75 4.35 4.04 1stzC1 LEU 191 HB2 0.15 0.14 0.20 -0.04 1.64 2.09 1stzC1 LEU 191 HB3 0.15 -0.04 -0.01 -0.04 1.64 1.70 1stzC1 LEU 191 HG 0.13 -0.02 0.02 -0.04 1.64 1.73 1stzC1 LEU 191 HD13 0.20 -0.02 -0.14 -0.04 0.93 0.93 1stzC1 LEU 191 HD23 0.07 0.00 0.00 -0.04 0.89 0.93 1stzC1 ASN 192 H 0.12 0.56 -0.08 -0.55 8.53 8.59 1stzC1 ASN 192 HA 0.08 -0.06 0.36 -0.75 4.76 4.38 1stzC1 ASN 192 HB2 0.10 0.12 0.19 -0.04 2.88 3.25 1stzC1 ASN 192 HB3 0.07 0.02 0.05 -0.04 2.79 2.89 1stzC1 ASN 192 HD21 0.08 0.38 0.20 -0.04 7.03 7.65 1stzC1 ASN 192 HD22 0.09 0.21 0.05 -0.04 7.74 8.05 1stzC1 PHE 193 H 0.23 0.46 -0.13 -0.55 8.34 8.35 1stzC1 PHE 193 HA 0.02 0.03 0.44 -0.75 4.62 4.36 1stzC1 PHE 193 HB2 0.02 0.03 0.15 -0.04 3.15 3.30 1stzC1 PHE 193 HB3 0.02 0.05 0.18 -0.04 3.06 3.27 1stzC1 PHE 193 HD2 0.02 0.00 -0.08 -0.04 7.28 7.18 1stzC1 PHE 193 HE2 0.01 -0.03 -0.03 -0.04 7.38 7.29 1stzC1 PHE 193 HZ 0.01 -0.03 -0.01 -0.04 7.32 7.25 1stzC1 LEU 194 H 0.18 0.49 -0.19 -0.55 8.37 8.31 1stzC1 LEU 194 HA 0.01 0.02 0.42 -0.75 4.35 4.04 1stzC1 LEU 194 HB2 0.15 0.17 0.15 -0.04 1.64 2.06 1stzC1 LEU 194 HB3 0.07 0.03 0.02 -0.04 1.64 1.72 1stzC1 LEU 194 HG 0.12 -0.06 -0.00 -0.04 1.64 1.66 1stzC1 LEU 194 HD13 0.05 -0.02 -0.08 -0.04 0.93 0.84 1stzC1 LEU 194 HD23 0.05 -0.02 0.00 -0.04 0.89 0.89 1stzC1 LEU 195 H 0.05 0.41 -0.03 -0.55 8.37 8.25 1stzC1 LEU 195 HA 0.01 0.11 0.42 -0.75 4.35 4.14 1stzC1 LEU 195 HB2 0.07 0.06 -0.03 -0.04 1.64 1.70 1stzC1 LEU 195 HB3 0.05 -0.07 -0.05 -0.04 1.64 1.52 1stzC1 LEU 195 HG 0.06 0.04 -0.01 -0.04 1.64 1.70 1stzC1 LEU 195 HD13 0.08 -0.03 -0.08 -0.04 0.93 0.87 1stzC1 LEU 195 HD23 0.03 0.01 -0.19 -0.04 0.89 0.70 1stzC1 ARG 196 H 0.01 0.46 0.04 -0.55 8.46 8.42 1stzC1 ARG 196 HA 0.00 0.11 0.49 -0.75 4.34 4.19 1stzC1 ARG 196 HB2 0.02 -0.17 0.14 -0.04 1.90 1.84 1stzC1 ARG 196 HB3 -0.01 0.10 0.16 -0.04 1.80 2.01 1stzC1 ARG 196 HG2 -0.01 -0.01 -0.12 -0.04 1.67 1.49 1stzC1 ARG 196 HG3 0.00 0.07 -0.16 -0.04 1.67 1.54 1stzC1 ARG 196 HD2 0.01 -0.03 -0.00 -0.04 3.22 3.15 1stzC1 ARG 196 HD3 0.00 -0.02 0.03 -0.04 3.22 3.19 1stzC1 GLY 197 H -0.02 0.60 0.35 -0.55 8.43 8.82 1stzC1 GLY 197 HA2 -0.03 -0.06 0.37 -0.51 4.01 3.78 1stzC1 GLY 197 HA3 -0.04 0.11 0.71 -0.51 4.01 4.29 1stzC1 ARG 198 H -0.02 0.45 -0.19 -0.55 8.46 8.16 1stzC1 ARG 198 HA -0.02 0.10 0.73 -0.75 4.34 4.40 1stzC1 ARG 198 HB2 -0.00 0.07 0.00 -0.04 1.90 1.93 1stzC1 ARG 198 HB3 -0.01 -0.12 0.07 -0.04 1.80 1.70 1stzC1 ARG 198 HG2 -0.04 -0.04 -0.35 -0.04 1.67 1.21 1stzC1 ARG 198 HG3 -0.03 0.12 -0.17 -0.04 1.67 1.55 1stzC1 ARG 198 HD2 -0.05 0.03 -0.02 -0.04 3.22 3.14 1stzC1 ARG 198 HD3 -0.02 0.01 0.01 -0.04 3.22 3.18 1stzC1 THR 199 H -0.00 0.09 0.15 -0.55 8.28 7.96 1stzC1 THR 199 HA 0.00 0.31 0.88 -0.75 4.39 4.83 1stzC1 THR 199 HB 0.00 0.03 -0.09 -0.04 4.32 4.22 1stzC1 THR 199 HG23 -0.01 0.04 -0.19 -0.04 1.22 1.02 1stzC1 VAL 200 H 0.02 0.59 0.28 -0.55 8.24 8.58 1stzC1 VAL 200 HA 0.03 0.08 0.50 -0.75 4.13 3.99 1stzC1 VAL 200 HB 0.04 0.03 0.20 -0.04 2.12 2.35 1stzC1 VAL 200 HG13 0.04 0.03 -0.02 -0.04 0.97 0.98 1stzC1 VAL 200 HG23 0.04 0.04 0.07 -0.04 0.95 1.06 1stzC1 GLY 201 H 0.02 0.32 -0.16 -0.55 8.43 8.05 1stzC1 GLY 201 HA2 0.02 0.06 0.35 -0.51 4.01 3.93 1stzC1 GLY 201 HA3 0.01 0.04 0.19 -0.51 4.01 3.75 1stzC1 GLU 202 H 0.01 0.15 -0.23 -0.55 8.60 7.98 1stzC1 GLU 202 HA 0.01 0.04 0.45 -0.75 4.29 4.03 1stzC1 GLU 202 HB2 0.00 0.11 0.13 -0.04 2.09 2.30 1stzC1 GLU 202 HB3 0.00 -0.01 -0.03 -0.04 1.99 1.91 1stzC1 GLU 202 HG2 0.00 0.01 0.04 -0.04 2.34 2.35 1stzC1 GLU 202 HG3 0.00 0.00 0.07 -0.04 2.34 2.37 1stzC1 VAL 203 H 0.02 0.36 -0.35 -0.55 8.24 7.72 1stzC1 VAL 203 HA 0.01 -0.02 0.55 -0.75 4.13 3.92 1stzC1 VAL 203 HB 0.02 0.22 0.01 -0.04 2.12 2.33 1stzC1 VAL 203 HG13 0.02 -0.02 -0.07 -0.04 0.97 0.85 1stzC1 VAL 203 HG23 0.03 0.03 -0.02 -0.04 0.95 0.94 1stzC1 LEU 204 H 0.02 0.36 -0.09 -0.55 8.37 8.11 1stzC1 LEU 204 HA 0.01 0.14 0.36 -0.75 4.35 4.10 1stzC1 LEU 204 HB2 0.01 0.12 0.16 -0.04 1.64 1.89 1stzC1 LEU 204 HB3 0.01 -0.06 0.01 -0.04 1.64 1.56 1stzC1 LEU 204 HG 0.02 0.21 0.12 -0.04 1.64 1.94 1stzC1 LEU 204 HD13 0.01 -0.05 -0.00 -0.04 0.93 0.85 1stzC1 LEU 204 HD23 0.02 -0.01 -0.09 -0.04 0.89 0.77 1stzC1 MET 205 H 0.01 0.22 -0.37 -0.55 8.47 7.78 1stzC1 MET 205 HA 0.01 0.09 0.33 -0.75 4.52 4.18 1stzC1 MET 205 HB2 0.01 -0.02 0.04 -0.04 2.15 2.13 1stzC1 MET 205 HB3 0.00 -0.02 0.08 -0.04 2.03 2.05 1stzC1 MET 205 HG2 0.01 0.13 0.04 -0.04 2.63 2.76 1stzC1 MET 205 HG3 0.00 -0.05 -0.02 -0.04 2.56 2.45 1stzC1 MET 205 HE3 0.01 -0.00 -0.08 -0.04 2.10 1.99 1stzC1 GLY 206 H 0.01 0.39 -0.45 -0.55 8.43 7.83 1stzC1 GLY 206 HA2 0.00 0.06 0.26 -0.51 4.01 3.83 1stzC1 GLY 206 HA3 0.00 0.08 0.59 -0.51 4.01 4.17 1stzC1 LYS 207 H 0.01 0.31 -0.03 -0.55 8.42 8.15 1stzC1 LYS 207 HA 0.00 0.10 0.34 -0.75 4.32 4.02 1stzC1 LYS 207 HB2 0.00 0.08 0.08 -0.04 1.87 1.99 1stzC1 LYS 207 HB3 0.00 -0.05 0.09 -0.04 1.79 1.80 1stzC1 LYS 207 HG2 0.00 0.05 -0.15 -0.04 1.46 1.32 1stzC1 LYS 207 HG3 0.00 -0.02 0.02 -0.04 1.46 1.42 1stzC1 LYS 207 HD2 0.00 -0.02 0.01 -0.04 1.69 1.64 1stzC1 LYS 207 HD3 0.00 0.00 -0.01 -0.04 1.68 1.63 1stzC1 LYS 207 HE2 0.00 -0.02 -0.01 -0.04 2.99 2.92 1stzC1 LYS 207 HE3 0.00 0.03 -0.02 -0.04 2.99 2.96 1stzC1 ILE 208 H 0.01 0.14 -0.32 -0.55 8.25 7.54 1stzC1 ILE 208 HA 0.01 0.11 0.70 -0.75 4.18 4.24 1stzC1 ILE 208 HB 0.01 0.01 0.09 -0.04 1.89 1.96 1stzC1 ILE 208 HG12 0.01 0.11 -0.08 -0.04 1.49 1.48 1stzC1 ILE 208 HG13 0.00 -0.04 -0.28 -0.04 1.21 0.85 1stzC1 ILE 208 HG23 0.02 -0.02 -0.11 -0.04 0.93 0.79 1stzC1 ILE 208 HD13 0.01 -0.01 -0.19 -0.04 0.88 0.66 1stzC1 GLU 209 H 0.01 0.25 0.02 -0.55 8.60 8.34 1stzC1 GLU 209 HA 0.01 0.20 0.57 -0.75 4.29 4.32 1stzC1 GLU 209 HB2 0.01 -0.06 0.13 -0.04 2.09 2.13 1stzC1 GLU 209 HB3 0.01 0.13 -0.12 -0.04 1.99 1.96 1stzC1 GLU 209 HG2 0.01 0.17 0.04 -0.04 2.34 2.52 1stzC1 GLU 209 HG3 0.01 -0.05 0.06 -0.04 2.34 2.33 1stzC1 SER 210 H 0.03 0.24 -0.31 -0.55 8.46 7.87 1stzC1 SER 210 HA 0.04 0.16 0.70 -0.75 4.49 4.63 1stzC1 SER 210 HB2 0.06 0.07 0.03 -0.04 3.95 4.07 1stzC1 SER 210 HB3 0.06 -0.00 0.13 -0.04 3.93 4.07 1stzC1 LEU 211 H 0.02 0.42 -0.12 -0.55 8.37 8.15 1stzC1 LEU 211 HA 0.01 0.03 0.35 -0.75 4.35 3.98 1stzC1 LEU 211 HB2 0.01 0.04 0.17 -0.04 1.64 1.81 1stzC1 LEU 211 HB3 0.01 -0.02 0.07 -0.04 1.64 1.67 1stzC1 LEU 211 HG 0.01 0.14 -0.06 -0.04 1.64 1.69 1stzC1 LEU 211 HD13 0.01 0.00 -0.01 -0.04 0.93 0.89 1stzC1 LEU 211 HD23 0.01 -0.02 -0.21 -0.04 0.89 0.63 1stzC1 LYS 212 H 0.02 0.28 0.13 -0.55 8.42 8.30 1stzC1 LYS 212 HA 0.01 0.23 0.80 -0.75 4.32 4.60 1stzC1 LYS 212 HB2 0.00 0.02 -0.06 -0.04 1.87 1.79 1stzC1 LYS 212 HB3 0.01 0.02 -0.10 -0.04 1.79 1.68 1stzC1 LYS 212 HG2 0.03 0.00 -0.09 -0.04 1.46 1.37 1stzC1 LYS 212 HG3 0.03 0.14 -0.19 -0.04 1.46 1.40 1stzC1 LYS 212 HD2 0.02 -0.15 -0.09 -0.04 1.69 1.42 1stzC1 LYS 212 HD3 0.01 0.01 -0.09 -0.04 1.68 1.57 1stzC1 LYS 212 HE2 0.04 -0.10 -0.07 -0.04 2.99 2.82 1stzC1 LYS 212 HE3 0.05 0.01 -0.03 -0.04 2.99 2.98 1stzC1 GLY 213 H 0.01 0.02 0.03 -0.55 8.43 7.94 1stzC1 GLY 213 HA2 0.01 -0.04 0.31 -0.51 4.01 3.77 1stzC1 GLY 213 HA3 0.00 0.25 0.87 -0.51 4.01 4.62 1stzC1 SER 214 H 0.01 0.17 -0.01 -0.55 8.46 8.09 1stzC1 SER 214 HA 0.02 0.06 0.57 -0.75 4.49 4.39 1stzC1 SER 214 HB2 0.03 0.01 0.05 -0.04 3.95 4.00 1stzC1 SER 214 HB3 0.05 -0.10 0.07 -0.04 3.93 3.91 1stzC1 GLY 215 H 0.04 0.22 0.13 -0.55 8.43 8.26 1stzC1 GLY 215 HA2 0.02 0.13 0.28 -0.51 4.01 3.94 1stzC1 GLY 215 HA3 0.05 0.11 0.34 -0.51 4.01 4.00 1stzC1 PHE 216 H 0.20 0.07 -0.03 -0.55 8.34 8.02 1stzC1 PHE 216 HA 0.04 0.17 0.54 -0.75 4.62 4.61 1stzC1 PHE 216 HB2 0.06 -0.01 0.06 -0.04 3.15 3.22 1stzC1 PHE 216 HB3 0.08 -0.01 -0.01 -0.04 3.06 3.08 1stzC1 PHE 216 HD2 0.16 -0.01 -0.15 -0.04 7.28 7.24 1stzC1 PHE 216 HE2 0.13 0.05 -0.08 -0.04 7.38 7.44 1stzC1 PHE 216 HZ -0.01 0.05 -0.11 -0.04 7.32 7.21 1stzC1 LEU 217 H 0.17 0.02 -0.15 -0.55 8.37 7.86 1stzC1 LEU 217 HA 0.08 0.09 0.45 -0.75 4.35 4.22 1stzC1 LEU 217 HB2 0.10 -0.05 0.07 -0.04 1.64 1.71 1stzC1 LEU 217 HB3 0.05 0.14 0.06 -0.04 1.64 1.85 1stzC1 LEU 217 HG 0.05 0.02 -0.06 -0.04 1.64 1.60 1stzC1 LEU 217 HD13 0.03 0.01 -0.18 -0.04 0.93 0.75 1stzC1 LEU 217 HD23 0.09 0.02 -0.13 -0.04 0.89 0.83 1stzC1 ARG 218 H -0.00 0.32 -0.34 -0.55 8.46 7.89 1stzC1 ARG 218 HA -0.03 0.09 0.32 -0.75 4.34 3.96 1stzC1 ARG 218 HB2 -0.02 0.07 0.08 -0.04 1.90 1.99 1stzC1 ARG 218 HB3 -0.03 0.03 -0.04 -0.04 1.80 1.72 1stzC1 ARG 218 HG2 -0.00 0.04 -0.02 -0.04 1.67 1.65 1stzC1 ARG 218 HG3 0.01 0.07 0.04 -0.04 1.67 1.75 1stzC1 ARG 218 HD2 0.00 -0.07 -0.12 -0.04 3.22 2.99 1stzC1 ARG 218 HD3 -0.00 0.05 -0.05 -0.04 3.22 3.18 1stzC1 LEU 219 H -0.13 0.31 -0.08 -0.55 8.37 7.92 1stzC1 LEU 219 HA -0.15 0.06 0.53 -0.75 4.35 4.04 1stzC1 LEU 219 HB2 -0.22 0.07 0.23 -0.04 1.64 1.67 1stzC1 LEU 219 HB3 -0.61 0.11 0.17 -0.04 1.64 1.28 1stzC1 LEU 219 HG -0.17 0.00 0.07 -0.04 1.64 1.50 1stzC1 LEU 219 HD13 -0.12 -0.02 0.02 -0.04 0.93 0.77 1stzC1 LEU 219 HD23 -0.43 -0.00 -0.15 -0.04 0.89 0.27 1stzC1 ILE 220 H -0.32 0.47 -0.27 -0.55 8.25 7.59 1stzC1 ILE 220 HA -0.51 0.04 0.34 -0.75 4.18 3.29 1stzC1 ILE 220 HB -0.20 0.14 0.14 -0.04 1.89 1.93 1stzC1 ILE 220 HG12 -0.70 0.12 0.04 -0.04 1.49 0.91 1stzC1 ILE 220 HG13 -0.07 -0.08 -0.07 -0.04 1.21 0.95 1stzC1 ILE 220 HG23 -0.71 -0.01 -0.12 -0.04 0.93 0.05 1stzC1 ILE 220 HD13 -0.58 -0.01 -0.05 -0.04 0.88 0.20 1stzC1 GLU 221 H -0.12 0.44 -0.10 -0.55 8.60 8.27 1stzC1 GLU 221 HA -0.03 0.01 0.47 -0.75 4.29 3.99 1stzC1 GLU 221 HB2 -0.03 0.06 0.11 -0.04 2.09 2.19 1stzC1 GLU 221 HB3 -0.04 0.11 0.07 -0.04 1.99 2.09 1stzC1 GLU 221 HG2 -0.01 0.04 -0.07 -0.04 2.34 2.26 1stzC1 GLU 221 HG3 0.01 -0.03 0.03 -0.04 2.34 2.30 1stzC1 SER 222 H -0.10 0.39 -0.41 -0.55 8.46 7.80 1stzC1 SER 222 HA -0.03 0.09 0.45 -0.75 4.49 4.25 1stzC1 SER 222 HB2 -0.04 -0.05 0.05 -0.04 3.95 3.87 1stzC1 SER 222 HB3 -0.05 0.01 0.08 -0.04 3.93 3.93 1stzC1 LEU 223 H -0.12 0.28 -0.23 -0.55 8.37 7.75 1stzC1 LEU 223 HA -0.01 0.06 0.62 -0.75 4.35 4.26 1stzC1 LEU 223 HB2 -0.16 0.12 0.16 -0.04 1.64 1.72 1stzC1 LEU 223 HB3 0.05 -0.01 0.01 -0.04 1.64 1.64 1stzC1 LEU 223 HG -0.19 0.18 0.08 -0.04 1.64 1.67 1stzC1 LEU 223 HD13 -0.23 -0.02 -0.03 -0.04 0.93 0.62 1stzC1 LEU 223 HD23 -0.04 -0.02 -0.02 -0.04 0.89 0.77 1stzC1 ILE 224 H -0.00 0.46 -0.01 -0.55 8.25 8.14 1stzC1 ILE 224 HA 0.11 0.02 0.46 -0.75 4.18 4.01 1stzC1 ILE 224 HB 0.05 0.08 0.06 -0.04 1.89 2.05 1stzC1 ILE 224 HG12 0.34 -0.05 -0.01 -0.04 1.49 1.73 1stzC1 ILE 224 HG13 0.17 0.13 0.07 -0.04 1.21 1.54 1stzC1 ILE 224 HG23 0.08 -0.02 0.00 -0.04 0.93 0.96 1stzC1 ILE 224 HD13 0.21 -0.03 -0.08 -0.04 0.88 0.95 1stzC1 GLY 225 H 0.01 0.17 -0.68 -0.55 8.43 7.38 1stzC1 GLY 225 HA2 0.02 0.06 0.53 -0.51 4.01 4.11 1stzC1 GLY 225 HA3 0.01 0.03 0.15 -0.51 4.01 3.69 1stzC1 GLU 226 H 0.02 0.24 -0.43 -0.55 8.60 7.88 1stzC1 GLU 226 HA 0.01 -0.04 0.49 -0.75 4.29 4.00 1stzC1 GLU 226 HB2 0.01 0.10 0.23 -0.04 2.09 2.39 1stzC1 GLU 226 HB3 0.02 -0.01 0.03 -0.04 1.99 1.99 1stzC1 GLU 226 HG2 0.01 -0.07 0.02 -0.04 2.34 2.26 1stzC1 GLU 226 HG3 0.01 0.08 -0.02 -0.04 2.34 2.38 1stzC1 THR 227 H 0.01 0.05 0.17 -0.55 8.28 7.97 1stzC1 THR 227 HA 0.02 0.08 0.52 -0.75 4.39 4.26 1stzC1 THR 227 HB 0.01 -0.06 0.14 -0.04 4.32 4.38 1stzC1 THR 227 HG23 0.01 -0.02 -0.17 -0.04 1.22 1.00 1stzC1 VAL 228 H 0.02 0.21 0.19 -0.55 8.24 8.10 1stzC1 VAL 228 HA 0.03 0.11 0.86 -0.75 4.13 4.38 1stzC1 VAL 228 HB 0.02 0.00 0.02 -0.04 2.12 2.12 1stzC1 VAL 228 HG13 0.03 0.02 0.00 -0.04 0.97 0.99 1stzC1 VAL 228 HG23 0.03 0.04 -0.11 -0.04 0.95 0.87 1stzC1 GLU 229 H 0.03 0.11 0.07 -0.55 8.60 8.26 1stzC1 GLU 229 HA 0.02 0.03 0.46 -0.75 4.29 4.05 1stzC1 GLU 229 HB2 0.05 0.06 0.09 -0.04 2.09 2.25 1stzC1 GLU 229 HB3 0.07 -0.05 0.09 -0.04 1.99 2.06 1stzC1 GLU 229 HG2 0.05 -0.00 0.04 -0.04 2.34 2.39 1stzC1 GLU 229 HG3 0.04 -0.01 0.04 -0.04 2.34 2.37 1stzC1 ARG 230 H -0.01 0.09 0.18 -0.55 8.46 8.17 1stzC1 ARG 230 HA -0.14 0.12 0.48 -0.75 4.34 4.04 1stzC1 ARG 230 HB2 -0.10 -0.01 0.17 -0.04 1.90 1.92 1stzC1 ARG 230 HB3 -0.19 -0.02 0.12 -0.04 1.80 1.66 1stzC1 ARG 230 HG2 -1.10 -0.00 -0.09 -0.04 1.67 0.43 1stzC1 ARG 230 HG3 -0.33 0.05 0.10 -0.04 1.67 1.45 1stzC1 ARG 230 HD2 -0.11 -0.02 0.04 -0.04 3.22 3.10 1stzC1 ARG 230 HD3 -0.08 -0.01 0.03 -0.04 3.22 3.12 1stzC1 TYR 231 H 0.11 0.05 -0.11 -0.55 8.29 7.79 1stzC1 TYR 231 HA 0.04 0.31 1.05 -0.75 4.56 5.21 1stzC1 TYR 231 HB2 0.03 -0.05 -0.08 -0.04 3.06 2.92 1stzC1 TYR 231 HB3 0.04 0.04 -0.18 -0.04 2.98 2.83 1stzC1 TYR 231 HD2 0.07 -0.02 -0.29 -0.04 7.15 6.86 1stzC1 TYR 231 HE2 0.12 0.00 -0.07 -0.04 6.85 6.86 1stzC1 LEU 232 H 0.12 0.64 0.28 -0.55 8.37 8.86 1stzC1 LEU 232 HA 0.08 0.07 0.81 -0.75 4.35 4.56 1stzC1 LEU 232 HB2 0.07 0.02 0.08 -0.04 1.64 1.77 1stzC1 LEU 232 HB3 0.04 -0.00 0.11 -0.04 1.64 1.75 1stzC1 LEU 232 HG 0.10 -0.00 0.05 -0.04 1.64 1.75 1stzC1 LEU 232 HD13 0.18 -0.02 -0.09 -0.04 0.93 0.97 1stzC1 LEU 232 HD23 -0.07 0.00 -0.37 -0.04 0.89 0.41 1stzC1 ASP 233 H 0.05 0.16 0.16 -0.55 8.40 8.22 1stzC1 ASP 233 HA -0.13 0.45 1.02 -0.75 4.63 5.21 1stzC1 ASP 233 HB2 -0.10 0.03 0.07 -0.04 2.71 2.67 1stzC1 ASP 233 HB3 0.03 0.01 -0.07 -0.04 2.70 2.63 1stzC1 ALA 234 H -0.22 0.50 0.34 -0.55 8.40 8.47 1stzC1 ALA 234 HA -0.01 0.04 0.58 -0.75 4.34 4.20 1stzC1 ALA 234 HB3 -0.13 0.05 -0.12 -0.04 1.41 1.17 1stzC1 GLY 235 H 0.05 0.14 0.17 -0.55 8.43 8.24 1stzC1 GLY 235 HA2 0.06 -0.00 0.33 -0.51 4.01 3.89 1stzC1 GLY 235 HA3 0.09 0.36 0.42 -0.51 4.01 4.37 1stzC1 LEU 236 H 0.22 0.10 -0.11 -0.55 8.37 8.03 1stzC1 LEU 236 HA -0.02 0.13 0.42 -0.75 4.35 4.13 1stzC1 LEU 236 HB2 0.11 0.03 0.04 -0.04 1.64 1.77 1stzC1 LEU 236 HB3 0.02 -0.02 0.00 -0.04 1.64 1.60 1stzC1 LEU 236 HG -0.41 0.04 -0.02 -0.04 1.64 1.21 1stzC1 LEU 236 HD13 -0.05 0.01 -0.06 -0.04 0.93 0.79 1stzC1 LEU 236 HD23 -0.12 -0.00 -0.10 -0.04 0.89 0.63 1stzC1 GLU 237 H 0.05 0.05 -0.19 -0.55 8.60 7.96 1stzC1 GLU 237 HA 0.01 0.06 0.39 -0.75 4.29 4.00 1stzC1 GLU 237 HB2 0.03 -0.08 0.02 -0.04 2.09 2.02 1stzC1 GLU 237 HB3 0.02 0.10 -0.18 -0.04 1.99 1.89 1stzC1 GLU 237 HG2 0.01 0.04 0.01 -0.04 2.34 2.37 1stzC1 GLU 237 HG3 0.02 -0.03 0.02 -0.04 2.34 2.31 1stzC1 ASN 238 H 0.06 0.32 -0.45 -0.55 8.53 7.90 1stzC1 ASN 238 HA 0.03 0.02 0.31 -0.75 4.76 4.36 1stzC1 ASN 238 HB2 0.08 0.24 -0.16 -0.04 2.88 3.00 1stzC1 ASN 238 HB3 0.04 0.08 -0.23 -0.04 2.79 2.65 1stzC1 ASN 238 HD21 0.03 -0.14 -0.19 -0.04 7.03 6.69 1stzC1 ASN 238 HD22 0.06 0.54 0.10 -0.04 7.74 8.40 1stzC1 LEU 239 H 0.05 0.28 -0.24 -0.55 8.37 7.92 1stzC1 LEU 239 HA 0.05 0.07 0.51 -0.75 4.35 4.22 1stzC1 LEU 239 HB2 -0.01 0.14 0.04 -0.04 1.64 1.78 1stzC1 LEU 239 HB3 0.07 -0.07 -0.02 -0.04 1.64 1.58 1stzC1 LEU 239 HG 0.09 0.05 -0.02 -0.04 1.64 1.73 1stzC1 LEU 239 HD13 -0.04 -0.02 -0.05 -0.04 0.93 0.78 1stzC1 LEU 239 HD23 0.24 0.03 -0.06 -0.04 0.89 1.06 1stzC1 LEU 240 H 0.01 0.30 -0.36 -0.55 8.37 7.77 1stzC1 LEU 240 HA -0.01 0.07 0.48 -0.75 4.35 4.14 1stzC1 LEU 240 HB2 -0.00 0.13 0.12 -0.04 1.64 1.86 1stzC1 LEU 240 HB3 -0.00 -0.04 0.05 -0.04 1.64 1.60 1stzC1 LEU 240 HG -0.02 -0.02 -0.09 -0.04 1.64 1.47 1stzC1 LEU 240 HD13 -0.02 -0.01 -0.09 -0.04 0.93 0.78 1stzC1 LEU 240 HD23 -0.01 -0.01 -0.01 -0.04 0.89 0.82 1stzC1 LYS 241 H 0.00 0.32 -0.36 -0.55 8.42 7.84 1stzC1 LYS 241 HA -0.01 0.14 0.78 -0.75 4.32 4.48 1stzC1 LYS 241 HB2 0.00 0.09 0.08 -0.04 1.87 1.99 1stzC1 LYS 241 HB3 -0.00 -0.05 0.16 -0.04 1.79 1.86 1stzC1 LYS 241 HG2 -0.00 -0.00 -0.09 -0.04 1.46 1.32 1stzC1 LYS 241 HG3 0.00 0.05 -0.13 -0.04 1.46 1.34 1stzC1 LYS 241 HD2 0.00 0.01 -0.04 -0.04 1.69 1.63 1stzC1 LYS 241 HD3 0.00 -0.02 -0.00 -0.04 1.68 1.62 1stzC1 LYS 241 HE2 0.00 -0.03 -0.03 -0.04 2.99 2.90 1stzC1 LYS 241 HE3 0.00 -0.01 -0.05 -0.04 2.99 2.89 1stzC1 ASP 242 H -0.01 0.28 -0.29 -0.55 8.40 7.83 1stzC1 ASP 242 HA -0.03 0.10 0.87 -0.75 4.63 4.82 1stzC1 ASP 242 HB2 -0.00 0.17 0.20 -0.04 2.71 3.03 1stzC1 ASP 242 HB3 -0.03 -0.02 0.23 -0.04 2.70 2.84 1stzC1 GLU 243 H -0.04 0.21 0.20 -0.55 8.60 8.43 1stzC1 GLU 243 HA -0.03 0.12 0.20 -0.75 4.29 3.83 1stzC1 GLU 243 HB2 -0.04 0.02 0.04 -0.04 2.09 2.07 1stzC1 GLU 243 HB3 -0.03 -0.02 0.13 -0.04 1.99 2.03 1stzC1 GLU 243 HG2 -0.03 -0.03 0.08 -0.04 2.34 2.32 1stzC1 GLU 243 HG3 -0.03 0.08 0.10 -0.04 2.34 2.45 1stzC1 THR 244 H -0.05 0.04 -0.28 -0.55 8.28 7.43 1stzC1 THR 244 HA -0.03 0.13 0.65 -0.75 4.39 4.38 1stzC1 THR 244 HB -0.05 -0.05 0.11 -0.04 4.32 4.29 1stzC1 THR 244 HG23 -0.06 0.01 0.05 -0.04 1.22 1.18 1stzC1 LEU 245 H -0.06 0.53 -0.19 -0.55 8.37 8.10 1stzC1 LEU 245 HA -0.13 0.04 0.91 -0.75 4.35 4.42 1stzC1 LEU 245 HB2 -0.06 0.25 0.13 -0.04 1.64 1.92 1stzC1 LEU 245 HB3 -0.10 -0.07 0.02 -0.04 1.64 1.45 1stzC1 LEU 245 HG -0.14 -0.09 -0.07 -0.04 1.64 1.31 1stzC1 LEU 245 HD13 -0.02 0.01 -0.01 -0.04 0.93 0.87 1stzC1 LEU 245 HD23 -0.58 0.02 -0.09 -0.04 0.89 0.19 1stzC1 THR 246 H -0.06 0.02 0.19 -0.55 8.28 7.88 1stzC1 THR 246 HA -0.02 0.34 0.88 -0.75 4.39 4.83 1stzC1 THR 246 HB -0.01 -0.07 0.20 -0.04 4.32 4.40 1stzC1 THR 246 HG23 -0.02 0.07 -0.02 -0.04 1.22 1.22 1stzC1 LEU 247 H -0.01 0.22 0.18 -0.55 8.37 8.22 1stzC1 LEU 247 HA -0.01 0.15 0.43 -0.75 4.35 4.17 1stzC1 LEU 247 HB2 -0.01 0.05 0.18 -0.04 1.64 1.83 1stzC1 LEU 247 HB3 -0.01 0.00 0.02 -0.04 1.64 1.62 1stzC1 LEU 247 HG -0.01 0.07 0.05 -0.04 1.64 1.70 1stzC1 LEU 247 HD13 -0.01 0.01 -0.00 -0.04 0.93 0.89 1stzC1 LEU 247 HD23 -0.01 -0.00 0.03 -0.04 0.89 0.86 1stzC1 GLU 248 H -0.00 0.10 -0.08 -0.55 8.60 8.07 1stzC1 GLU 248 HA -0.00 0.10 0.43 -0.75 4.29 4.06 1stzC1 GLU 248 HB2 -0.00 -0.01 0.12 -0.04 2.09 2.16 1stzC1 GLU 248 HB3 0.01 0.04 -0.01 -0.04 1.99 1.99 1stzC1 GLU 248 HG2 -0.00 0.00 0.04 -0.04 2.34 2.34 1stzC1 GLU 248 HG3 -0.00 0.02 0.04 -0.04 2.34 2.35 1stzC1 ASP 249 H 0.01 0.05 -0.26 -0.55 8.40 7.66 1stzC1 ASP 249 HA 0.11 0.13 0.42 -0.75 4.63 4.54 1stzC1 ASP 249 HB2 -0.03 0.13 0.15 -0.04 2.71 2.92 1stzC1 ASP 249 HB3 -0.04 0.04 -0.02 -0.04 2.70 2.64 1stzC1 ILE 250 H 0.05 0.43 -0.19 -0.55 8.25 8.00 1stzC1 ILE 250 HA 0.14 0.05 0.36 -0.75 4.18 3.97 1stzC1 ILE 250 HB 0.00 0.05 0.10 -0.04 1.89 2.00 1stzC1 ILE 250 HG12 0.07 -0.03 -0.09 -0.04 1.49 1.40 1stzC1 ILE 250 HG13 0.07 -0.02 -0.06 -0.04 1.21 1.15 1stzC1 ILE 250 HG23 -0.07 -0.01 -0.14 -0.04 0.93 0.67 1stzC1 ILE 250 HD13 -0.00 0.06 -0.26 -0.04 0.88 0.63 1stzC1 ARG 251 H -0.00 0.61 -0.09 -0.55 8.46 8.43 1stzC1 ARG 251 HA -0.05 0.02 0.41 -0.75 4.34 3.96 1stzC1 ARG 251 HB2 -0.01 0.08 0.18 -0.04 1.90 2.10 1stzC1 ARG 251 HB3 -0.03 -0.04 -0.04 -0.04 1.80 1.65 1stzC1 ARG 251 HG2 -0.03 -0.02 0.02 -0.04 1.67 1.60 1stzC1 ARG 251 HG3 -0.02 0.05 0.05 -0.04 1.67 1.71 1stzC1 ARG 251 HD2 -0.01 -0.05 -0.12 -0.04 3.22 2.99 1stzC1 ARG 251 HD3 -0.02 -0.01 -0.03 -0.04 3.22 3.12 1stzC1 ASN 252 H -0.00 0.55 -0.19 -0.55 8.53 8.35 1stzC1 ASN 252 HA -0.06 -0.03 0.38 -0.75 4.76 4.30 1stzC1 ASN 252 HB2 0.04 0.18 0.19 -0.04 2.88 3.25 1stzC1 ASN 252 HB3 -0.03 -0.10 -0.06 -0.04 2.79 2.56 1stzC1 ASN 252 HD21 0.00 -0.09 -0.01 -0.04 7.03 6.89 1stzC1 ASN 252 HD22 0.03 0.12 0.02 -0.04 7.74 7.87 1stzC1 LEU 253 H -0.09 0.53 -0.20 -0.55 8.37 8.07 1stzC1 LEU 253 HA -0.35 -0.02 0.34 -0.75 4.35 3.57 1stzC1 LEU 253 HB2 -0.41 0.14 0.12 -0.04 1.64 1.46 1stzC1 LEU 253 HB3 -0.37 0.07 -0.02 -0.04 1.64 1.28 1stzC1 LEU 253 HG -1.72 -0.00 -0.06 -0.04 1.64 -0.18 1stzC1 LEU 253 HD13 -0.52 -0.00 -0.12 -0.04 0.93 0.25 1stzC1 LEU 253 HD23 -1.00 -0.02 -0.04 -0.04 0.89 -0.21 1stzC1 LEU 254 H -0.16 0.49 -0.21 -0.55 8.37 7.94 1stzC1 LEU 254 HA -0.16 0.02 0.41 -0.75 4.35 3.87 1stzC1 LEU 254 HB2 -0.10 0.13 0.15 -0.04 1.64 1.78 1stzC1 LEU 254 HB3 -0.08 -0.05 0.01 -0.04 1.64 1.48 1stzC1 LEU 254 HG -0.19 0.24 0.04 -0.04 1.64 1.68 1stzC1 LEU 254 HD13 -0.10 -0.03 -0.06 -0.04 0.93 0.70 1stzC1 LEU 254 HD23 -0.27 -0.02 -0.06 -0.04 0.89 0.50 1stzC1 GLU 255 H -0.10 0.45 -0.21 -0.55 8.60 8.20 1stzC1 GLU 255 HA -0.06 0.05 0.52 -0.75 4.29 4.05 1stzC1 GLU 255 HB2 -0.06 0.06 0.09 -0.04 2.09 2.14 1stzC1 GLU 255 HB3 -0.08 0.04 0.08 -0.04 1.99 1.98 1stzC1 GLU 255 HG2 -0.05 -0.03 -0.03 -0.04 2.34 2.19 1stzC1 GLU 255 HG3 -0.04 -0.01 0.02 -0.04 2.34 2.27 1stzC1 GLU 256 H -0.15 0.63 -0.00 -0.55 8.60 8.53 1stzC1 GLU 256 HA -0.16 -0.03 0.29 -0.75 4.29 3.63 1stzC1 GLU 256 HB2 -0.24 0.08 0.07 -0.04 2.09 1.95 1stzC1 GLU 256 HB3 -0.49 -0.02 -0.04 -0.04 1.99 1.40 1stzC1 GLU 256 HG2 -0.18 0.20 0.04 -0.04 2.34 2.35 1stzC1 GLU 256 HG3 -0.29 -0.08 -0.10 -0.04 2.34 1.83 1stzC1 VAL 257 H -0.15 0.54 -0.28 -0.55 8.24 7.80 1stzC1 VAL 257 HA -0.04 0.03 0.32 -0.75 4.13 3.68 1stzC1 VAL 257 HB -0.18 0.32 0.09 -0.04 2.12 2.31 1stzC1 VAL 257 HG13 -0.05 -0.01 -0.16 -0.04 0.97 0.71 1stzC1 VAL 257 HG23 -0.29 -0.03 -0.06 -0.04 0.95 0.53 1stzC1 LYS 258 H -0.04 0.40 -0.54 -0.55 8.42 7.68 1stzC1 LYS 258 HA 0.02 0.05 0.57 -0.75 4.32 4.20 1stzC1 LYS 258 HB2 -0.02 0.22 0.11 -0.04 1.87 2.14 1stzC1 LYS 258 HB3 0.01 -0.11 0.03 -0.04 1.79 1.67 1stzC1 LYS 258 HG2 0.01 -0.07 0.03 -0.04 1.46 1.39 1stzC1 LYS 258 HG3 -0.02 0.13 0.04 -0.04 1.46 1.57 1stzC1 LYS 258 HD2 -0.02 0.03 0.07 -0.04 1.69 1.73 1stzC1 LYS 258 HD3 -0.00 -0.07 0.02 -0.04 1.68 1.58 1stzC1 LYS 258 HE2 -0.00 -0.06 -0.01 -0.04 2.99 2.87 1stzC1 LYS 258 HE3 -0.02 0.19 -0.02 -0.04 2.99 3.10 1stzC1 ASP 259 H 0.01 0.44 -0.18 -0.55 8.40 8.13 1stzC1 ASP 259 HA 0.04 -0.02 0.59 -0.75 4.63 4.48 1stzC1 ASP 259 HB2 -0.01 0.03 0.15 -0.04 2.71 2.83 1stzC1 ASP 259 HB3 0.09 0.14 0.23 -0.04 2.70 3.12 1stzC1 GLN 260 H 0.06 0.22 0.26 -0.55 8.47 8.47 1stzC1 GLN 260 HA 0.08 0.15 0.27 -0.75 4.36 4.11 1stzC1 GLN 260 HB2 0.08 0.10 0.17 -0.04 2.15 2.46 1stzC1 GLN 260 HB3 0.07 -0.03 0.04 -0.04 2.02 2.06 1stzC1 GLN 260 HG2 0.21 0.05 0.03 -0.04 2.40 2.65 1stzC1 GLN 260 HG3 0.09 -0.00 0.02 -0.04 2.39 2.46 1stzC1 GLN 260 HE21 0.18 0.01 -0.04 -0.04 6.97 7.08 1stzC1 GLN 260 HE22 0.38 0.03 -0.01 -0.04 7.69 8.05 1stzC1 LYS 261 H 0.07 0.08 -0.09 -0.55 8.42 7.92 1stzC1 LYS 261 HA 0.05 0.12 0.46 -0.75 4.32 4.20 1stzC1 LYS 261 HB2 0.07 -0.03 0.02 -0.04 1.87 1.89 1stzC1 LYS 261 HB3 0.06 0.06 -0.03 -0.04 1.79 1.84 1stzC1 LYS 261 HG2 0.04 0.05 0.02 -0.04 1.46 1.53 1stzC1 LYS 261 HG3 0.04 -0.06 0.05 -0.04 1.46 1.45 1stzC1 LYS 261 HD2 0.03 -0.02 0.01 -0.04 1.69 1.67 1stzC1 LYS 261 HD3 0.04 0.03 -0.01 -0.04 1.68 1.70 1stzC1 LYS 261 HE2 0.02 0.01 -0.00 -0.04 2.99 2.98 1stzC1 LYS 261 HE3 0.02 0.02 -0.00 -0.04 2.99 3.00 1stzC1 PHE 262 H 0.19 0.14 -0.41 -0.55 8.34 7.70 1stzC1 PHE 262 HA 0.01 0.08 0.44 -0.75 4.62 4.39 1stzC1 PHE 262 HB2 -0.01 -0.07 0.03 -0.04 3.15 3.07 1stzC1 PHE 262 HB3 -0.03 0.21 0.10 -0.04 3.06 3.30 1stzC1 PHE 262 HD2 -0.03 0.10 -0.11 -0.04 7.28 7.19 1stzC1 PHE 262 HE2 -0.01 0.07 -0.17 -0.04 7.38 7.22 1stzC1 PHE 262 HZ 0.06 -0.03 -0.14 -0.04 7.32 7.17 1stzC1 LEU 263 H -0.03 0.38 -0.14 -0.55 8.37 8.03 1stzC1 LEU 263 HA -0.52 0.06 0.45 -0.75 4.35 3.58 1stzC1 LEU 263 HB2 -0.12 0.09 0.03 -0.04 1.64 1.61 1stzC1 LEU 263 HB3 -0.60 -0.04 -0.03 -0.04 1.64 0.93 1stzC1 LEU 263 HG -0.13 0.10 -0.03 -0.04 1.64 1.54 1stzC1 LEU 263 HD13 -0.51 0.01 -0.05 -0.04 0.93 0.34 1stzC1 LEU 263 HD23 -0.58 -0.02 -0.08 -0.04 0.89 0.17 1stzC1 GLU 264 H -0.00 0.26 -0.45 -0.55 8.60 7.86 1stzC1 GLU 264 HA 0.09 0.06 0.49 -0.75 4.29 4.18 1stzC1 GLU 264 HB2 0.04 0.08 0.15 -0.04 2.09 2.32 1stzC1 GLU 264 HB3 0.03 -0.02 -0.00 -0.04 1.99 1.97 1stzC1 GLU 264 HG2 0.07 -0.01 0.01 -0.04 2.34 2.36 1stzC1 GLU 264 HG3 0.08 0.13 0.02 -0.04 2.34 2.52 1stzC1 SER 265 H -0.04 0.30 -0.26 -0.55 8.46 7.92 1stzC1 SER 265 HA 0.00 0.08 0.41 -0.75 4.49 4.23 1stzC1 SER 265 HB2 0.02 -0.05 0.06 -0.04 3.95 3.94 1stzC1 SER 265 HB3 0.03 -0.00 0.08 -0.04 3.93 4.00 1stzC1 LEU 266 H -0.09 0.20 -0.57 -0.55 8.37 7.37 1stzC1 LEU 266 HA -0.06 0.11 0.59 -0.75 4.35 4.23 1stzC1 LEU 266 HB2 0.07 0.13 -0.03 -0.04 1.64 1.77 1stzC1 LEU 266 HB3 -0.04 -0.08 -0.04 -0.04 1.64 1.44 1stzC1 LEU 266 HG -0.56 0.28 0.00 -0.04 1.64 1.32 1stzC1 LEU 266 HD13 -0.43 -0.04 -0.10 -0.04 0.93 0.32 1stzC1 LEU 266 HD23 -0.13 -0.01 -0.08 -0.04 0.89 0.63 1stzC1 VAL 267 H 0.02 0.29 -0.39 -0.55 8.24 7.61 1stzC1 VAL 267 HA -0.04 0.01 0.32 -0.75 4.13 3.67 1stzC1 VAL 267 HB -0.01 0.05 0.16 -0.04 2.12 2.29 1stzC1 VAL 267 HG13 -0.07 0.01 -0.16 -0.04 0.97 0.70 1stzC1 VAL 267 HG23 0.01 -0.01 0.01 -0.04 0.95 0.92 1stzC1 GLY 268 H -0.01 0.18 0.05 -0.55 8.43 8.10 1stzC1 GLY 268 HA2 0.01 0.07 0.25 -0.51 4.01 3.82 1stzC1 GLY 268 HA3 0.00 -0.11 0.28 -0.51 4.01 3.68 1stzC1 GLU 269 H 0.02 0.01 0.04 -0.55 8.60 8.12 1stzC1 GLU 269 HA 0.03 0.11 0.51 -0.75 4.29 4.19 1stzC1 GLU 269 HB2 0.03 -0.13 0.19 -0.04 2.09 2.14 1stzC1 GLU 269 HB3 0.03 0.02 0.08 -0.04 1.99 2.07 1stzC1 GLU 269 HG2 0.02 -0.03 0.06 -0.04 2.34 2.34 1stzC1 GLU 269 HG3 0.02 -0.01 0.05 -0.04 2.34 2.36 1stzC1 GLY 270 H 0.05 0.02 -0.04 -0.55 8.43 7.91 1stzC1 GLY 270 HA2 0.09 0.20 0.66 -0.51 4.01 4.45 1stzC1 GLY 270 HA3 0.06 -0.06 0.37 -0.51 4.01 3.87 1stzC1 ILE 271 H 0.10 0.06 0.15 -0.55 8.25 8.02 1stzC1 ILE 271 HA 0.15 0.32 0.82 -0.75 4.18 4.71 1stzC1 ILE 271 HB 0.14 -0.05 0.13 -0.04 1.89 2.07 1stzC1 ILE 271 HG12 0.32 0.05 -0.04 -0.04 1.49 1.78 1stzC1 ILE 271 HG13 0.14 -0.06 0.05 -0.04 1.21 1.30 1stzC1 ILE 271 HG23 0.13 0.00 -0.14 -0.04 0.93 0.89 1stzC1 ILE 271 HD13 0.07 0.00 -0.00 -0.04 0.88 0.91 1stzC1 THR 272 H -0.02 0.52 0.39 -0.55 8.28 8.63 1stzC1 THR 272 HA -0.00 0.06 0.86 -0.75 4.39 4.55 1stzC1 THR 272 HB -0.05 0.10 0.08 -0.04 4.32 4.41 1stzC1 THR 272 HG23 -0.06 -0.00 -0.11 -0.04 1.22 1.00 1stzC1 VAL 273 H -0.19 0.16 0.22 -0.55 8.24 7.88 1stzC1 VAL 273 HA -0.56 0.44 1.12 -0.75 4.13 4.37 1stzC1 VAL 273 HB -0.71 -0.05 -0.03 -0.04 2.12 1.29 1stzC1 VAL 273 HG13 -0.70 -0.02 -0.21 -0.04 0.97 -0.00 1stzC1 VAL 273 HG23 -1.39 0.00 -0.14 -0.04 0.95 -0.62 1stzC1 ARG 274 H -0.23 0.42 0.19 -0.55 8.46 8.28 1stzC1 ARG 274 HA -0.07 0.10 0.71 -0.75 4.34 4.33 1stzC1 ARG 274 HB2 -0.04 0.01 0.09 -0.04 1.90 1.91 1stzC1 ARG 274 HB3 0.01 -0.04 -0.24 -0.04 1.80 1.49 1stzC1 ARG 274 HG2 -0.05 0.10 -0.09 -0.04 1.67 1.59 1stzC1 ARG 274 HG3 -0.06 0.05 -0.22 -0.04 1.67 1.39 1stzC1 ARG 274 HD2 0.02 -0.04 -0.05 -0.04 3.22 3.11 1stzC1 ARG 274 HD3 0.01 0.21 -0.11 -0.04 3.22 3.29 1stzC1 ILE 275 H -0.03 0.19 0.05 -0.55 8.25 7.91 1stzC1 ILE 275 HA 0.08 0.14 0.84 -0.75 4.18 4.49 1stzC1 ILE 275 HB -0.02 -0.02 0.14 -0.04 1.89 1.95 1stzC1 ILE 275 HG12 0.11 0.08 -0.05 -0.04 1.49 1.59 1stzC1 ILE 275 HG13 -0.10 -0.09 -0.25 -0.04 1.21 0.74 1stzC1 ILE 275 HG23 0.08 -0.02 -0.10 -0.04 0.93 0.86 1stzC1 ILE 275 HD13 -0.28 -0.00 -0.14 -0.04 0.88 0.41 1stzC1 GLY 276 H 0.12 0.65 0.36 -0.55 8.43 9.02 1stzC1 GLY 276 HA2 0.10 0.30 0.43 -0.51 4.01 4.32 1stzC1 GLY 276 HA3 0.06 -0.10 0.44 -0.51 4.01 3.90 1stzC1 ARG 277 H 0.02 0.10 0.27 -0.55 8.46 8.30 1stzC1 ARG 277 HA 0.03 0.03 0.32 -0.75 4.34 3.97 1stzC1 ARG 277 HB2 -0.00 0.02 0.10 -0.04 1.90 1.97 1stzC1 ARG 277 HB3 -0.01 -0.00 0.17 -0.04 1.80 1.91 1stzC1 ARG 277 HG2 -0.01 -0.04 0.13 -0.04 1.67 1.72 1stzC1 ARG 277 HG3 -0.01 0.07 -0.13 -0.04 1.67 1.55 1stzC1 ARG 277 HD2 -0.04 -0.03 0.03 -0.04 3.22 3.14 1stzC1 ARG 277 HD3 -0.04 0.05 0.02 -0.04 3.22 3.20 1stzC1 GLU 278 H 0.02 0.44 -0.22 -0.55 8.60 8.30 1stzC1 GLU 278 HA 0.02 0.05 0.36 -0.75 4.29 3.97 1stzC1 GLU 278 HB2 0.01 -0.10 -0.05 -0.04 2.09 1.91 1stzC1 GLU 278 HB3 0.00 0.06 0.07 -0.04 1.99 2.09 1stzC1 GLU 278 HG2 0.00 0.01 0.05 -0.04 2.34 2.36 1stzC1 GLU 278 HG3 0.00 -0.02 0.09 -0.04 2.34 2.37 1stzC1 ILE 279 H 0.07 0.47 -0.57 -0.55 8.25 7.67 1stzC1 ILE 279 HA 0.10 0.10 0.41 -0.75 4.18 4.04 1stzC1 ILE 279 HB 0.14 0.07 -0.06 -0.04 1.89 2.00 1stzC1 ILE 279 HG12 0.13 -0.02 -0.10 -0.04 1.49 1.46 1stzC1 ILE 279 HG13 0.10 -0.12 -0.36 -0.04 1.21 0.79 1stzC1 ILE 279 HG23 0.32 -0.03 -0.18 -0.04 0.93 1.00 1stzC1 ILE 279 HD13 0.23 0.01 -0.14 -0.04 0.88 0.94 1stzC1 GLY 280 H 0.07 0.32 -0.26 -0.55 8.43 8.01 1stzC1 GLY 280 HA2 0.04 0.02 0.22 -0.51 4.01 3.78 1stzC1 GLY 280 HA3 0.08 0.15 0.36 -0.51 4.01 4.09 1stzC1 ARG 281 H 0.06 0.19 -0.26 -0.55 8.46 7.89 1stzC1 ARG 281 HA -0.04 0.15 0.63 -0.75 4.34 4.33 1stzC1 ARG 281 HB2 -0.06 -0.01 -0.04 -0.04 1.90 1.75 1stzC1 ARG 281 HB3 -0.15 -0.12 -0.05 -0.04 1.80 1.45 1stzC1 ARG 281 HG2 -0.04 0.17 -0.54 -0.04 1.67 1.21 1stzC1 ARG 281 HG3 -0.70 0.02 -0.15 -0.04 1.67 0.79 1stzC1 ARG 281 HD2 -0.33 -0.07 -0.02 -0.04 3.22 2.75 1stzC1 ARG 281 HD3 -0.13 0.00 0.10 -0.04 3.22 3.15 1stzC1 LYS 282 H -0.02 0.23 0.04 -0.55 8.42 8.12 1stzC1 LYS 282 HA 0.01 0.09 0.34 -0.75 4.32 4.00 1stzC1 LYS 282 HB2 -0.02 -0.02 0.09 -0.04 1.87 1.89 1stzC1 LYS 282 HB3 -0.01 0.04 -0.01 -0.04 1.79 1.77 1stzC1 LYS 282 HG2 -0.01 0.02 0.02 -0.04 1.46 1.45 1stzC1 LYS 282 HG3 -0.01 0.03 0.04 -0.04 1.46 1.47 1stzC1 LYS 282 HD2 -0.01 -0.00 0.00 -0.04 1.69 1.64 1stzC1 LYS 282 HD3 -0.01 0.01 0.00 -0.04 1.68 1.64 1stzC1 LYS 282 HE2 -0.01 0.02 -0.00 -0.04 2.99 2.95 1stzC1 LYS 282 HE3 -0.01 0.01 0.00 -0.04 2.99 2.95 1stzC1 LYS 283 H -0.03 0.10 -0.18 -0.55 8.42 7.75 1stzC1 LYS 283 HA 0.01 0.07 0.40 -0.75 4.32 4.05 1stzC1 LYS 283 HB2 -0.06 0.01 -0.03 -0.04 1.87 1.74 1stzC1 LYS 283 HB3 -0.02 0.02 -0.01 -0.04 1.79 1.73 1stzC1 LYS 283 HG2 -0.02 0.01 0.02 -0.04 1.46 1.43 1stzC1 LYS 283 HG3 -0.04 -0.05 0.02 -0.04 1.46 1.36 1stzC1 LYS 283 HD2 -0.08 0.03 -0.01 -0.04 1.69 1.59 1stzC1 LYS 283 HD3 -0.05 0.00 0.01 -0.04 1.68 1.60 1stzC1 LYS 283 HE2 -0.05 0.01 -0.01 -0.04 2.99 2.90 1stzC1 LYS 283 HE3 -0.04 0.02 -0.01 -0.04 2.99 2.92 1stzC1 LEU 284 H 0.03 0.33 -0.55 -0.55 8.37 7.64 1stzC1 LEU 284 HA 0.30 0.15 0.75 -0.75 4.35 4.79 1stzC1 LEU 284 HB2 0.10 0.10 -0.01 -0.04 1.64 1.79 1stzC1 LEU 284 HB3 0.18 0.00 0.10 -0.04 1.64 1.88 1stzC1 LEU 284 HG -0.13 -0.07 -0.17 -0.04 1.64 1.23 1stzC1 LEU 284 HD13 -0.01 0.02 -0.11 -0.04 0.93 0.79 1stzC1 LEU 284 HD23 -0.14 0.01 -0.39 -0.04 0.89 0.34 1stzC1 GLU 285 H 0.09 0.34 -0.34 -0.55 8.60 8.14 1stzC1 GLU 285 HA 0.09 0.08 0.10 -0.75 4.29 3.80 1stzC1 GLU 285 HB2 0.03 0.15 0.13 -0.04 2.09 2.36 1stzC1 GLU 285 HB3 0.03 0.01 0.05 -0.04 1.99 2.03 1stzC1 GLU 285 HG2 0.02 -0.01 0.02 -0.04 2.34 2.32 1stzC1 GLU 285 HG3 0.02 -0.09 0.02 -0.04 2.34 2.25 1stzC1 LYS 286 H 0.04 0.10 -0.30 -0.55 8.42 7.70 1stzC1 LYS 286 HA -0.03 0.14 0.64 -0.75 4.32 4.32 1stzC1 LYS 286 HB2 -0.39 -0.01 0.03 -0.04 1.87 1.46 1stzC1 LYS 286 HB3 -0.20 0.06 0.17 -0.04 1.79 1.78 1stzC1 LYS 286 HG2 -0.03 -0.09 -0.04 -0.04 1.46 1.26 1stzC1 LYS 286 HG3 -0.08 -0.05 0.06 -0.04 1.46 1.35 1stzC1 LYS 286 HD2 -0.01 0.02 0.03 -0.04 1.69 1.68 1stzC1 LYS 286 HD3 0.00 -0.03 -0.00 -0.04 1.68 1.61 1stzC1 LYS 286 HE2 -0.03 0.12 0.15 -0.04 2.99 3.18 1stzC1 LYS 286 HE3 0.00 -0.05 0.06 -0.04 2.99 2.97 1stzC1 PHE 287 H 0.22 0.39 -0.25 -0.55 8.34 8.15 1stzC1 PHE 287 HA 0.09 0.17 0.98 -0.75 4.62 5.12 1stzC1 PHE 287 HB2 0.15 0.09 0.04 -0.04 3.15 3.39 1stzC1 PHE 287 HB3 0.22 0.12 0.04 -0.04 3.06 3.40 1stzC1 PHE 287 HD2 0.10 0.08 -0.15 -0.04 7.28 7.27 1stzC1 PHE 287 HE2 -0.00 0.03 -0.11 -0.04 7.38 7.26 1stzC1 PHE 287 HZ -0.05 -0.04 -0.36 -0.04 7.32 6.84 1stzC1 ALA 288 H 0.26 0.58 0.09 -0.55 8.40 8.79 1stzC1 ALA 288 HA 0.14 0.29 0.77 -0.75 4.34 4.79 1stzC1 ALA 288 HB3 0.16 -0.02 -0.01 -0.04 1.41 1.51 1stzC1 VAL 289 H -0.02 0.47 0.25 -0.55 8.24 8.38 1stzC1 VAL 289 HA -0.14 0.35 1.12 -0.75 4.13 4.70 1stzC1 VAL 289 HB -0.12 -0.02 0.07 -0.04 2.12 2.01 1stzC1 VAL 289 HG13 -0.77 0.02 -0.18 -0.04 0.97 -0.00 1stzC1 VAL 289 HG23 0.20 0.02 -0.18 -0.04 0.95 0.95 1stzC1 PHE 290 H 0.02 0.51 0.30 -0.55 8.34 8.62 1stzC1 PHE 290 HA -0.38 0.32 1.06 -0.75 4.62 4.87 1stzC1 PHE 290 HB2 -0.72 -0.02 0.16 -0.04 3.15 2.53 1stzC1 PHE 290 HB3 -1.61 0.02 -0.04 -0.04 3.06 1.40 1stzC1 PHE 290 HD2 -0.31 0.04 -0.11 -0.04 7.28 6.85 1stzC1 PHE 290 HE2 0.05 -0.01 -0.12 -0.04 7.38 7.26 1stzC1 PHE 290 HZ 0.19 -0.01 -0.04 -0.04 7.32 7.41 1stzC1 SER 291 H -0.26 0.60 0.40 -0.55 8.46 8.66 1stzC1 SER 291 HA -0.06 0.37 1.01 -0.75 4.49 5.05 1stzC1 SER 291 HB2 -0.34 0.02 0.03 -0.04 3.95 3.62 1stzC1 SER 291 HB3 -0.10 -0.07 -0.26 -0.04 3.93 3.45 1stzC1 GLY 292 H -0.07 0.51 0.39 -0.55 8.43 8.71 1stzC1 GLY 292 HA2 0.05 0.22 0.34 -0.51 4.01 4.10 1stzC1 GLY 292 HA3 0.19 -0.01 0.35 -0.51 4.01 4.02 1stzC1 LYS 293 H 0.09 0.21 0.15 -0.55 8.42 8.32 1stzC1 LYS 293 HA -0.15 0.21 1.19 -0.75 4.32 4.81 1stzC1 LYS 293 HB2 -0.26 -0.02 0.02 -0.04 1.87 1.57 1stzC1 LYS 293 HB3 -0.59 0.05 0.07 -0.04 1.79 1.27 1stzC1 LYS 293 HG2 -0.20 -0.02 -0.18 -0.04 1.46 1.02 1stzC1 LYS 293 HG3 -0.10 -0.04 -0.29 -0.04 1.46 0.98 1stzC1 LYS 293 HD2 -0.12 0.05 -0.05 -0.04 1.69 1.54 1stzC1 LYS 293 HD3 -0.31 -0.06 -0.08 -0.04 1.68 1.18 1stzC1 LYS 293 HE2 -0.11 -0.07 -0.08 -0.04 2.99 2.69 1stzC1 LYS 293 HE3 -0.07 0.06 -0.06 -0.04 2.99 2.88 1stzC1 TYR 294 H -0.35 0.52 0.32 -0.55 8.29 8.24 1stzC1 TYR 294 HA 0.07 0.21 0.90 -0.75 4.56 4.99 1stzC1 TYR 294 HB2 -0.07 -0.01 -0.04 -0.04 3.06 2.90 1stzC1 TYR 294 HB3 -0.13 0.00 0.03 -0.04 2.98 2.85 1stzC1 TYR 294 HD2 -0.36 0.04 -0.21 -0.04 7.15 6.58 1stzC1 TYR 294 HE2 -0.89 0.05 -0.14 -0.04 6.85 5.83 1stzC1 PHE 295 H 0.29 0.20 0.16 -0.55 8.34 8.43 1stzC1 PHE 295 HA -0.13 0.16 0.79 -0.75 4.62 4.69 1stzC1 PHE 295 HB2 0.00 -0.06 -0.02 -0.04 3.15 3.03 1stzC1 PHE 295 HB3 -0.01 0.27 -0.30 -0.04 3.06 2.98 1stzC1 PHE 295 HD2 -0.03 -0.04 -0.52 -0.04 7.28 6.65 1stzC1 PHE 295 HE2 -0.03 0.07 -0.13 -0.04 7.38 7.24 1stzC1 PHE 295 HZ -0.03 0.04 -0.08 -0.04 7.32 7.21 1stzC1 LYS 296 H 0.07 0.57 0.08 -0.55 8.42 8.59 1stzC1 LYS 296 HA 0.18 0.12 0.49 -0.75 4.32 4.36 1stzC1 LYS 296 HB2 0.26 0.01 -0.04 -0.04 1.87 2.06 1stzC1 LYS 296 HB3 0.16 -0.02 0.13 -0.04 1.79 2.02 1stzC1 LYS 296 HG2 0.13 -0.10 -0.13 -0.04 1.46 1.32 1stzC1 LYS 296 HG3 0.16 0.07 -0.06 -0.04 1.46 1.59 1stzC1 LYS 296 HD2 0.50 0.09 -0.03 -0.04 1.69 2.21 1stzC1 LYS 296 HD3 0.33 -0.11 -0.04 -0.04 1.68 1.82 1stzC1 LYS 296 HE2 0.07 -0.11 -0.05 -0.04 2.99 2.86 1stzC1 LYS 296 HE3 0.10 0.05 -0.13 -0.04 2.99 2.97 1stzC1 GLY 297 H 0.10 0.18 -0.01 -0.55 8.43 8.16 1stzC1 GLY 297 HA2 0.05 0.06 0.31 -0.51 4.01 3.91 1stzC1 GLY 297 HA3 0.06 0.02 0.59 -0.51 4.01 4.17 1stzC1 GLU 298 H 0.06 0.12 0.16 -0.55 8.60 8.40 1stzC1 GLU 298 HA 0.04 0.19 0.69 -0.75 4.29 4.45 1stzC1 GLU 298 HB2 0.04 -0.00 0.05 -0.04 2.09 2.14 1stzC1 GLU 298 HB3 0.04 0.02 0.13 -0.04 1.99 2.14 1stzC1 GLU 298 HG2 -0.04 0.04 -0.08 -0.04 2.34 2.22 1stzC1 GLU 298 HG3 0.01 -0.04 -0.00 -0.04 2.34 2.26 1stzC1 SER 299 H 0.14 0.39 -0.19 -0.55 8.46 8.25 1stzC1 SER 299 HA 0.07 0.18 0.70 -0.75 4.49 4.68 1stzC1 SER 299 HB2 0.06 0.11 0.16 -0.04 3.95 4.24 1stzC1 SER 299 HB3 0.01 0.05 -0.07 -0.04 3.93 3.88 1stzC1 PRO 300 HA -0.94 0.11 0.47 -0.51 4.44 3.56 1stzC1 PRO 300 HB2 -0.27 -0.01 0.01 -0.04 2.28 1.97 1stzC1 PRO 300 HB3 -0.52 0.04 0.02 -0.04 2.02 1.52 1stzC1 PRO 300 HG2 -0.09 0.01 0.08 -0.04 2.03 1.99 1stzC1 PRO 300 HG3 -0.08 0.08 0.04 -0.04 2.03 2.04 1stzC1 PRO 300 HD2 -0.05 0.04 0.21 -0.04 3.68 3.83 1stzC1 PRO 300 HD3 0.07 0.32 0.32 -0.04 3.65 4.32 1stzC1 ILE 301 H -0.69 0.49 0.41 -0.55 8.25 7.91 1stzC1 ILE 301 HA -0.30 0.10 0.83 -0.75 4.18 4.06 1stzC1 ILE 301 HB -0.91 0.04 -0.03 -0.04 1.89 0.95 1stzC1 ILE 301 HG12 -0.11 0.03 -0.13 -0.04 1.49 1.24 1stzC1 ILE 301 HG13 -0.20 -0.05 -0.05 -0.04 1.21 0.87 1stzC1 ILE 301 HG23 -0.63 -0.01 -0.10 -0.04 0.93 0.15 1stzC1 ILE 301 HD13 -0.06 -0.01 -0.07 -0.04 0.88 0.70 1stzC1 GLY 302 H -1.13 0.31 0.24 -0.55 8.43 7.30 1stzC1 GLY 302 HA2 -0.32 0.08 0.52 -0.51 4.01 3.77 1stzC1 GLY 302 HA3 -0.48 0.22 0.25 -0.51 4.01 3.48 1stzC1 SER 303 H -0.04 0.12 0.20 -0.55 8.46 8.20 1stzC1 SER 303 HA -0.16 0.26 1.04 -0.75 4.49 4.87 1stzC1 SER 303 HB2 0.20 -0.07 0.09 -0.04 3.95 4.13 1stzC1 SER 303 HB3 -0.37 0.08 0.04 -0.04 3.93 3.63 1stzC1 VAL 304 H -0.22 0.78 0.43 -0.55 8.24 8.68 1stzC1 VAL 304 HA 0.02 0.26 1.04 -0.75 4.13 4.70 1stzC1 VAL 304 HB -0.14 -0.04 -0.03 -0.04 2.12 1.87 1stzC1 VAL 304 HG13 -0.09 -0.01 -0.18 -0.04 0.97 0.65 1stzC1 VAL 304 HG23 -0.02 -0.01 -0.23 -0.04 0.95 0.64 1stzC1 TYR 305 H 0.17 0.58 0.37 -0.55 8.29 8.87 1stzC1 TYR 305 HA -0.05 0.35 1.08 -0.75 4.56 5.18 1stzC1 TYR 305 HB2 -0.03 -0.11 0.11 -0.04 3.06 2.99 1stzC1 TYR 305 HB3 -0.52 0.01 -0.01 -0.04 2.98 2.42 1stzC1 TYR 305 HD2 -0.12 0.07 -0.10 -0.04 7.15 6.96 1stzC1 TYR 305 HE2 0.01 0.03 -0.10 -0.04 6.85 6.75 1stzC1 LEU 306 H -0.15 0.73 0.30 -0.55 8.37 8.70 1stzC1 LEU 306 HA 0.06 0.22 0.89 -0.75 4.35 4.77 1stzC1 LEU 306 HB2 0.22 -0.00 -0.11 -0.04 1.64 1.70 1stzC1 LEU 306 HB3 -0.09 -0.13 0.18 -0.04 1.64 1.57 1stzC1 LEU 306 HG 0.08 -0.00 -0.17 -0.04 1.64 1.51 1stzC1 LEU 306 HD13 -0.20 -0.01 -0.13 -0.04 0.93 0.56 1stzC1 LEU 306 HD23 0.06 0.02 -0.34 -0.04 0.89 0.59 1stzC1 PHE 307 H 0.28 0.78 0.28 -0.55 8.34 9.13 1stzC1 PHE 307 HA 0.14 0.28 1.09 -0.75 4.62 5.37 1stzC1 PHE 307 HB2 0.19 -0.05 0.16 -0.04 3.15 3.41 1stzC1 PHE 307 HB3 0.03 0.00 0.01 -0.04 3.06 3.06 1stzC1 PHE 307 HD2 0.01 0.06 -0.11 -0.04 7.28 7.20 1stzC1 PHE 307 HE2 -0.06 0.00 -0.13 -0.04 7.38 7.16 1stzC1 PHE 307 HZ -0.21 0.03 -0.12 -0.04 7.32 6.98 1stzC1 THR 308 H 0.27 0.60 0.33 -0.55 8.28 8.93 1stzC1 THR 308 HA 0.22 0.13 0.75 -0.75 4.39 4.74 1stzC1 THR 308 HB 0.04 0.03 0.15 -0.04 4.32 4.50 1stzC1 THR 308 HG23 0.04 -0.01 -0.25 -0.04 1.22 0.96 1stzC1 SER 309 H 0.06 0.18 0.14 -0.55 8.46 8.30 1stzC1 SER 309 HA -0.14 0.20 0.78 -0.75 4.49 4.58 1stzC1 SER 309 HB2 -0.08 -0.00 0.14 -0.04 3.95 3.96 1stzC1 SER 309 HB3 -0.04 0.13 0.07 -0.04 3.93 4.05 1stzC1 LYS 310 H 0.00 0.58 0.14 -0.55 8.42 8.59 1stzC1 LYS 310 HA 0.13 0.05 0.40 -0.75 4.32 4.15 1stzC1 LYS 310 HB2 0.21 -0.08 -0.01 -0.04 1.87 1.95 1stzC1 LYS 310 HB3 0.12 0.07 -0.36 -0.04 1.79 1.58 1stzC1 LYS 310 HG2 0.09 -0.02 -0.15 -0.04 1.46 1.34 1stzC1 LYS 310 HG3 0.15 -0.03 -0.21 -0.04 1.46 1.33 1stzC1 LYS 310 HD2 0.05 -0.01 -0.16 -0.04 1.69 1.52 1stzC1 LYS 310 HD3 0.06 -0.01 0.02 -0.04 1.68 1.71 1stzC1 LYS 310 HE2 0.09 -0.08 -0.07 -0.04 2.99 2.90 1stzC1 LYS 310 HE3 0.07 -0.02 0.09 -0.04 2.99 3.09 1stzC1 VAL 311 H 0.01 0.05 -0.36 -0.55 8.24 7.38 1stzC1 VAL 311 HA 0.06 0.13 0.74 -0.75 4.13 4.30 1stzC1 VAL 311 HB -0.10 -0.07 0.17 -0.04 2.12 2.08 1stzC1 VAL 311 HG13 -0.39 0.02 -0.09 -0.04 0.97 0.48 1stzC1 VAL 311 HG23 0.10 -0.01 -0.05 -0.04 0.95 0.95 1stzC1 THR 312 H -0.05 0.34 -0.01 -0.55 8.28 8.01 1stzC1 THR 312 HA -0.09 0.18 0.68 -0.75 4.39 4.40 1stzC1 THR 312 HB -0.12 0.19 -0.37 -0.04 4.32 3.97 1stzC1 THR 312 HG23 -0.63 -0.03 -0.31 -0.04 1.22 0.20 1stzC1 LYS 313 H -0.06 0.26 0.05 -0.55 8.42 8.11 1stzC1 LYS 313 HA 0.10 0.13 0.70 -0.75 4.32 4.50 1stzC1 LYS 313 HB2 0.02 0.01 0.23 -0.04 1.87 2.08 1stzC1 LYS 313 HB3 0.07 -0.09 0.12 -0.04 1.79 1.85 1stzC1 LYS 313 HG2 0.01 0.08 -0.06 -0.04 1.46 1.44 1stzC1 LYS 313 HG3 -0.02 0.07 0.06 -0.04 1.46 1.53 1stzC1 LYS 313 HD2 0.01 0.03 0.04 -0.04 1.69 1.72 1stzC1 LYS 313 HD3 0.03 -0.06 0.03 -0.04 1.68 1.63 1stzC1 LYS 313 HE2 -0.01 0.06 0.00 -0.04 2.99 3.00 1stzC1 LYS 313 HE3 0.01 -0.02 0.00 -0.04 2.99 2.94 1stzC1 TYR 314 H 0.43 0.38 0.12 -0.55 8.29 8.67 1stzC1 TYR 314 HA 0.28 0.08 0.24 -0.75 4.56 4.40 1stzC1 TYR 314 HB2 0.45 0.00 0.08 -0.04 3.06 3.55 1stzC1 TYR 314 HB3 0.49 0.02 -0.02 -0.04 2.98 3.43 1stzC1 TYR 314 HD2 0.16 0.01 0.03 -0.04 7.15 7.31 1stzC1 TYR 314 HE2 0.00 0.03 0.03 -0.04 6.85 6.87 1stzC1 ASP 315 H 0.31 0.09 -0.24 -0.55 8.40 8.01 1stzC1 ASP 315 HA 0.17 0.11 0.34 -0.75 4.63 4.50 1stzC1 ASP 315 HB2 0.12 0.04 0.06 -0.04 2.71 2.89 1stzC1 ASP 315 HB3 0.15 -0.06 0.08 -0.04 2.70 2.82 1stzC1 ARG 316 H 0.10 0.10 -0.10 -0.55 8.46 8.01 1stzC1 ARG 316 HA 0.05 0.06 0.47 -0.75 4.34 4.16 1stzC1 ARG 316 HB2 0.04 -0.03 0.11 -0.04 1.90 1.98 1stzC1 ARG 316 HB3 0.02 0.09 0.13 -0.04 1.80 2.00 1stzC1 ARG 316 HG2 -0.00 -0.03 -0.18 -0.04 1.67 1.41 1stzC1 ARG 316 HG3 0.01 -0.03 0.04 -0.04 1.67 1.64 1stzC1 ARG 316 HD2 -0.01 0.28 0.09 -0.04 3.22 3.54 1stzC1 ARG 316 HD3 0.00 -0.07 0.05 -0.04 3.22 3.16 1stzC1 ASN 317 H 0.02 0.42 -0.31 -0.55 8.53 8.10 1stzC1 ASN 317 HA -0.14 0.06 0.21 -0.75 4.76 4.13 1stzC1 ASN 317 HB2 -0.23 0.03 0.03 -0.04 2.88 2.66 1stzC1 ASN 317 HB3 -0.83 -0.03 -0.10 -0.04 2.79 1.79 1stzC1 ASN 317 HD21 -0.13 0.06 -0.12 -0.04 7.03 6.79 1stzC1 ASN 317 HD22 -0.18 -0.04 -0.19 -0.04 7.74 7.28 1stzC1 HIS 318 H 0.16 0.53 -0.15 -0.55 8.41 8.41 1stzC1 HIS 318 HA 0.03 0.02 0.40 -0.75 4.63 4.32 1stzC1 HIS 318 HB2 0.53 0.04 0.09 -0.04 3.26 3.89 1stzC1 HIS 318 HB3 0.22 0.09 0.11 -0.04 3.20 3.58 1stzC1 HIS 318 HD2 0.14 0.02 -0.40 -0.04 6.97 6.68 1stzC1 HIS 318 HE1 0.18 0.03 -0.04 -0.04 7.75 7.88 1stzC1 ARG 319 H 0.19 0.44 -0.18 -0.55 8.46 8.35 1stzC1 ARG 319 HA 0.19 0.01 0.47 -0.75 4.34 4.25 1stzC1 ARG 319 HB2 0.12 0.00 0.11 -0.04 1.90 2.09 1stzC1 ARG 319 HB3 0.08 0.15 0.20 -0.04 1.80 2.19 1stzC1 ARG 319 HG2 0.03 0.02 -0.25 -0.04 1.67 1.42 1stzC1 ARG 319 HG3 0.06 -0.05 -0.01 -0.04 1.67 1.63 1stzC1 ARG 319 HD2 0.01 -0.00 -0.02 -0.04 3.22 3.17 1stzC1 ARG 319 HD3 0.01 -0.02 -0.02 -0.04 3.22 3.14 1stzC1 VAL 320 H 0.04 0.59 -0.10 -0.55 8.24 8.23 1stzC1 VAL 320 HA 0.09 0.03 0.48 -0.75 4.13 3.98 1stzC1 VAL 320 HB 0.00 0.08 0.05 -0.04 2.12 2.21 1stzC1 VAL 320 HG13 0.04 -0.01 -0.15 -0.04 0.97 0.81 1stzC1 VAL 320 HG23 -0.00 0.04 -0.02 -0.04 0.95 0.93 1stzC1 PHE 321 H 0.07 0.62 -0.15 -0.55 8.34 8.32 1stzC1 PHE 321 HA -0.08 -0.01 0.29 -0.75 4.62 4.07 1stzC1 PHE 321 HB2 -0.30 0.16 0.09 -0.04 3.15 3.06 1stzC1 PHE 321 HB3 -0.18 0.05 0.09 -0.04 3.06 2.98 1stzC1 PHE 321 HD2 -0.08 0.01 -0.18 -0.04 7.28 6.99 1stzC1 PHE 321 HE2 -0.04 0.01 -0.42 -0.04 7.38 6.89 1stzC1 PHE 321 HZ -0.11 0.18 -0.30 -0.04 7.32 7.05 1stzC1 GLU 322 H 0.07 0.61 -0.20 -0.55 8.60 8.53 1stzC1 GLU 322 HA -0.01 -0.00 0.38 -0.75 4.29 3.90 1stzC1 GLU 322 HB2 -0.04 0.10 0.13 -0.04 2.09 2.25 1stzC1 GLU 322 HB3 0.09 0.06 0.13 -0.04 1.99 2.24 1stzC1 GLU 322 HG2 0.05 -0.04 -0.14 -0.04 2.34 2.17 1stzC1 GLU 322 HG3 0.05 -0.04 0.03 -0.04 2.34 2.34 1stzC1 TYR 323 H 0.15 0.57 -0.10 -0.55 8.29 8.37 1stzC1 TYR 323 HA -0.01 -0.02 0.39 -0.75 4.56 4.17 1stzC1 TYR 323 HB2 0.00 -0.02 0.17 -0.04 3.06 3.17 1stzC1 TYR 323 HB3 -0.01 0.15 0.19 -0.04 2.98 3.26 1stzC1 TYR 323 HD2 -0.02 0.03 0.28 -0.04 7.15 7.41 1stzC1 TYR 323 HE2 -0.02 -0.01 0.84 -0.04 6.85 7.62 1stzC1 ILE 324 H -0.08 0.48 -0.42 -0.55 8.25 7.69 1stzC1 ILE 324 HA -0.36 0.06 0.62 -0.75 4.18 3.74 1stzC1 ILE 324 HB -0.14 0.21 0.08 -0.04 1.89 2.00 1stzC1 ILE 324 HG12 -0.10 0.06 0.02 -0.04 1.49 1.43 1stzC1 ILE 324 HG13 -0.14 -0.05 0.03 -0.04 1.21 1.01 1stzC1 ILE 324 HG23 -0.26 -0.02 -0.23 -0.04 0.93 0.39 1stzC1 ILE 324 HD13 0.12 -0.02 -0.12 -0.04 0.88 0.82 1stzC1 LEU 325 H -0.27 0.60 0.02 -0.55 8.37 8.18 1stzC1 LEU 325 HA -0.17 0.01 0.46 -0.75 4.35 3.90 1stzC1 LEU 325 HB2 -0.17 0.11 0.14 -0.04 1.64 1.68 1stzC1 LEU 325 HB3 -0.04 0.02 -0.02 -0.04 1.64 1.56 1stzC1 LEU 325 HG -0.76 0.07 -0.07 -0.04 1.64 0.83 1stzC1 LEU 325 HD13 -0.01 0.02 -0.13 -0.04 0.93 0.76 1stzC1 LEU 325 HD23 -0.16 -0.00 -0.31 -0.04 0.89 0.38 1stzC1 ASN 326 H -0.12 0.50 -0.25 -0.55 8.53 8.11 1stzC1 ASN 326 HA -0.01 0.05 0.51 -0.75 4.76 4.56 1stzC1 ASN 326 HB2 -0.08 0.09 0.02 -0.04 2.88 2.87 1stzC1 ASN 326 HB3 -0.03 -0.04 -0.01 -0.04 2.79 2.67 1stzC1 ASN 326 HD21 0.03 -0.04 -0.05 -0.04 7.03 6.93 1stzC1 ASN 326 HD22 0.03 -0.02 -0.05 -0.04 7.74 7.66 1stzC1 ARG 327 H -0.26 0.38 -0.26 -0.55 8.46 7.77 1stzC1 ARG 327 HA -0.11 0.05 0.57 -0.75 4.34 4.09 1stzC1 ARG 327 HB2 -0.41 0.00 0.10 -0.04 1.90 1.56 1stzC1 ARG 327 HB3 -0.39 0.13 0.22 -0.04 1.80 1.72 1stzC1 ARG 327 HG2 -0.11 -0.00 -0.50 -0.04 1.67 1.01 1stzC1 ARG 327 HG3 -0.11 -0.02 -0.01 -0.04 1.67 1.48 1stzC1 ARG 327 HD2 -0.21 0.02 0.02 -0.04 3.22 3.00 1stzC1 ARG 327 HD3 -0.12 -0.03 -0.05 -0.04 3.22 2.98 1stzC1 LEU 328 H -0.11 0.53 -0.19 -0.55 8.37 8.05 1stzC1 LEU 328 HA 0.04 0.03 0.41 -0.75 4.35 4.07 1stzC1 LEU 328 HB2 -0.11 0.12 0.16 -0.04 1.64 1.77 1stzC1 LEU 328 HB3 -0.30 -0.06 -0.02 -0.04 1.64 1.22 1stzC1 LEU 328 HG -0.21 0.16 0.03 -0.04 1.64 1.58 1stzC1 LEU 328 HD13 -0.47 -0.02 -0.11 -0.04 0.93 0.29 1stzC1 LEU 328 HD23 -0.21 -0.02 -0.07 -0.04 0.89 0.55 1stzC1 SER 329 H 0.06 0.43 -0.23 -0.55 8.46 8.17 1stzC1 SER 329 HA 0.24 0.15 0.61 -0.75 4.49 4.75 1stzC1 SER 329 HB2 0.08 0.07 0.23 -0.04 3.95 4.29 1stzC1 SER 329 HB3 0.13 -0.01 0.10 -0.04 3.93 4.10 1stzC1 GLU 330 H 0.05 0.46 -0.22 -0.55 8.60 8.34 1stzC1 GLU 330 HA 0.04 0.02 0.53 -0.75 4.29 4.12 1stzC1 GLU 330 HB2 0.02 0.08 0.18 -0.04 2.09 2.33 1stzC1 GLU 330 HB3 0.02 -0.05 0.08 -0.04 1.99 2.00 1stzC1 GLU 330 HG2 0.02 0.01 0.05 -0.04 2.34 2.38 1stzC1 GLU 330 HG3 0.00 -0.03 0.03 -0.04 2.34 2.30 1stzC1 TYR 331 H 0.17 0.38 -0.31 -0.55 8.29 7.98 1stzC1 TYR 331 HA -0.05 0.09 0.54 -0.75 4.56 4.39 1stzC1 TYR 331 HB2 -0.09 0.01 0.10 -0.04 3.06 3.04 1stzC1 TYR 331 HB3 -0.06 0.06 0.17 -0.04 2.98 3.11 1stzC1 TYR 331 HD2 -0.68 0.01 -0.07 -0.04 7.15 6.37 1stzC1 TYR 331 HE2 -0.48 0.17 -0.01 -0.04 6.85 6.49 1stzC1 PHE 332 H 0.37 0.53 0.02 -0.55 8.34 8.71 1stzC1 PHE 332 HA -0.11 0.06 0.37 -0.75 4.62 4.18 1stzC1 PHE 332 HB2 0.13 0.20 0.13 -0.04 3.15 3.57 1stzC1 PHE 332 HB3 0.05 -0.07 -0.02 -0.04 3.06 2.98 1stzC1 PHE 332 HD2 -0.23 0.17 0.06 -0.04 7.28 7.24 1stzC1 PHE 332 HE2 -0.47 -0.05 -0.02 -0.04 7.38 6.80 1stzC1 PHE 332 HZ -0.11 -0.05 -0.02 -0.04 7.32 7.11 1stzC1 THR 333 H 0.11 0.44 -0.22 -0.55 8.28 8.07 1stzC1 THR 333 HA 0.09 -0.04 0.56 -0.75 4.39 4.24 1stzC1 THR 333 HB 0.04 0.10 0.15 -0.04 4.32 4.57 1stzC1 THR 333 HG23 0.03 -0.03 0.02 -0.04 1.22 1.21 1stzC1 SER 334 H -0.08 0.35 -0.32 -0.55 8.46 7.86 1stzC1 SER 334 HA -0.05 0.06 0.58 -0.75 4.49 4.33 1stzC1 SER 334 HB2 -0.07 -0.11 0.17 -0.04 3.95 3.90 1stzC1 SER 334 HB3 -0.06 0.04 0.18 -0.04 3.93 4.05 1stzC1 THR 335 H -0.15 0.26 -0.53 -0.55 8.28 7.31 1stzC1 THR 335 HA -0.12 0.10 0.85 -0.75 4.39 4.46 1stzC1 THR 335 HB -0.06 0.07 0.24 -0.04 4.32 4.53 1stzC1 THR 335 HG23 -0.54 0.07 -0.04 -0.04 1.22 0.67 1stzC1 SER 336 H -0.02 0.35 -0.44 -0.55 8.46 7.79 1stzC1 SER 336 HA -0.02 0.18 0.51 -0.75 4.49 4.41 1stzC1 SER 336 HB2 0.01 -0.07 0.08 -0.04 3.95 3.92 1stzC1 SER 336 HB3 0.02 0.01 0.03 -0.04 3.93 3.95