============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 2 0.840 49.271 2.778 46.815 -99.200 -91.000 PHE 12 1.000 53.448 5.592 44.652 -99.200 -91.000 TYR 13 0.840 48.112 6.855 40.250 -99.200 -91.000 TRP 16 1.040 54.528 14.352 40.743 -99.200 -91.000 TRP6 16 1.020 56.862 13.961 40.820 -99.200 -91.000 HIS 25 0.900 51.856 5.425 32.135 -99.200 -91.000 PHE 26 1.000 58.672 10.037 31.562 -99.200 -91.000 HIS 27 0.900 54.822 2.472 30.661 -99.200 -91.000 HIS 28 0.900 59.506 0.327 37.541 -99.200 -91.000 TRP 30 1.040 64.169 -7.363 37.544 -99.200 -91.000 TRP6 30 1.020 66.402 -7.683 38.259 -99.200 -91.000 TRP 37 1.040 60.781 6.413 34.709 -99.200 -91.000 TRP6 37 1.020 61.924 6.487 32.641 -99.200 -91.000 PHE 43 1.000 64.205 18.163 29.551 -99.200 -91.000 PHE 44 1.000 60.584 14.943 28.660 -99.200 -91.000 HIS 47 0.900 61.982 21.450 28.630 -99.200 -91.000 TYR 49 0.840 55.496 17.285 26.905 -99.200 -91.000 HIS 54 0.900 52.923 1.808 35.712 -99.200 -91.000 HIS 59 0.900 58.983 -4.715 39.861 -99.200 -91.000 TRP 66 1.040 50.931 -15.913 44.962 -99.200 -91.000 TRP6 66 1.020 51.659 -17.916 43.931 -99.200 -91.000 HIS 69 0.900 55.027 -10.680 40.215 -99.200 -91.000 HIS 73 0.900 48.691 -11.551 34.937 -99.200 -91.000 TYR 74 0.840 55.624 -7.406 34.462 -99.200 -91.000 HIS 84 0.900 42.412 5.964 39.469 -99.200 -91.000 HIS 92 0.900 51.751 5.045 27.505 -99.200 -91.000 HIS 95 0.900 66.278 2.319 31.591 -99.200 -91.000 TYR 105 0.840 48.566 0.477 27.436 -99.200 -91.000 HIS 109 0.900 44.930 -3.291 27.487 -99.200 -91.000 PHE 142 1.000 68.827 -13.525 30.270 -99.200 -91.000 PHE 145 1.000 71.824 -11.690 35.134 -99.200 -91.000 PHE 156 1.000 72.019 -9.867 41.091 -99.200 -91.000 TYR 157 0.840 67.863 -6.417 43.861 -99.200 -91.000 PHE 165 1.000 70.628 -0.083 35.656 -99.200 -91.000 TYR 166 0.840 73.012 3.668 37.241 -99.200 -91.000 TYR 168 0.840 78.225 4.681 38.413 -99.200 -91.000 TRP 183 1.040 69.880 -0.085 39.870 -99.200 -91.000 TRP6 183 1.020 69.726 -2.348 40.548 -99.200 -91.000 TRP 184 1.040 70.919 -2.167 48.408 -99.200 -91.000 TRP6 184 1.020 70.104 -1.151 50.377 -99.200 -91.000 HIS 195 0.900 62.483 -6.677 42.767 -99.200 -91.000 TYR 196 0.840 63.288 -17.026 41.239 -99.200 -91.000 PHE 202 1.000 65.166 -8.991 32.901 -99.200 -91.000 PHE 207 1.000 58.521 -7.909 25.162 -99.200 -91.000 HIS 222 0.900 70.024 -0.847 23.590 -99.200 -91.000 TYR 231 0.840 73.608 -0.838 19.162 -99.200 -91.000 TYR 250 0.840 71.627 8.488 22.768 -99.200 -91.000 TYR 253 0.840 75.607 8.550 26.191 -99.200 -91.000 HIS 255 0.900 69.815 -1.399 30.724 -99.200 -91.000 HIS 261 0.900 76.186 9.712 29.638 -99.200 -91.000 PHE 272 1.000 59.857 9.865 18.603 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zoiB1 SER 2 HA -0.22 -0.08 0.22 -0.75 4.49 3.65 1zoiB1 SER 2 HB2 -1.56 0.01 -0.05 -0.04 3.95 2.31 1zoiB1 SER 2 HB3 -0.36 0.00 0.02 -0.04 3.93 3.55 1zoiB1 TYR 3 H -0.00 0.17 0.15 -0.55 8.29 8.06 1zoiB1 TYR 3 HA -0.02 0.38 1.01 -0.75 4.56 5.18 1zoiB1 TYR 3 HB2 0.01 -0.04 -0.02 -0.04 3.06 2.97 1zoiB1 TYR 3 HB3 0.04 -0.06 -0.13 -0.04 2.98 2.79 1zoiB1 TYR 3 HD2 0.09 -0.08 -0.35 -0.04 7.15 6.77 1zoiB1 TYR 3 HE2 0.16 0.05 -0.10 -0.04 6.85 6.92 1zoiB1 VAL 4 H 0.21 0.46 0.30 -0.55 8.24 8.66 1zoiB1 VAL 4 HA -0.24 0.18 0.82 -0.75 4.13 4.14 1zoiB1 VAL 4 HB -0.22 0.05 -0.08 -0.04 2.12 1.83 1zoiB1 VAL 4 HG13 -0.38 0.02 -0.19 -0.04 0.97 0.38 1zoiB1 VAL 4 HG23 0.01 0.01 -0.07 -0.04 0.95 0.86 1zoiB1 THR 5 H -0.05 0.21 0.10 -0.55 8.28 8.00 1zoiB1 THR 5 HA 0.04 0.22 0.86 -0.75 4.39 4.75 1zoiB1 THR 5 HB 0.01 0.01 0.12 -0.04 4.32 4.42 1zoiB1 THR 5 HG23 0.03 0.05 -0.16 -0.04 1.22 1.09 1zoiB1 THR 6 H 0.05 0.60 0.27 -0.55 8.28 8.66 1zoiB1 THR 6 HA 0.02 0.17 0.46 -0.75 4.39 4.28 1zoiB1 THR 6 HB 0.05 -0.04 0.14 -0.04 4.32 4.43 1zoiB1 THR 6 HG23 0.06 0.10 0.05 -0.04 1.22 1.39 1zoiB1 LYS 7 H 0.03 0.18 0.16 -0.55 8.42 8.23 1zoiB1 LYS 7 HA 0.03 0.16 0.41 -0.75 4.32 4.16 1zoiB1 LYS 7 HB2 0.02 0.05 0.07 -0.04 1.87 1.97 1zoiB1 LYS 7 HB3 0.03 0.06 0.13 -0.04 1.79 1.97 1zoiB1 LYS 7 HG2 0.03 -0.09 0.10 -0.04 1.46 1.46 1zoiB1 LYS 7 HG3 0.03 0.01 -0.12 -0.04 1.46 1.34 1zoiB1 LYS 7 HD2 0.02 0.03 -0.02 -0.04 1.69 1.67 1zoiB1 LYS 7 HD3 0.03 0.05 0.02 -0.04 1.68 1.74 1zoiB1 LYS 7 HE2 0.01 -0.03 -0.01 -0.04 2.99 2.92 1zoiB1 LYS 7 HE3 -0.02 -0.03 -0.03 -0.04 2.99 2.87 1zoiB1 ASP 8 H 0.05 -0.01 -0.30 -0.55 8.40 7.59 1zoiB1 ASP 8 HA 0.04 0.28 0.79 -0.75 4.63 4.99 1zoiB1 ASP 8 HB2 0.05 0.02 0.13 -0.04 2.71 2.88 1zoiB1 ASP 8 HB3 0.06 0.03 -0.01 -0.04 2.70 2.74 1zoiB1 GLY 9 H 0.04 0.52 -0.53 -0.55 8.43 7.91 1zoiB1 GLY 9 HA2 0.03 0.10 0.20 -0.51 4.01 3.83 1zoiB1 GLY 9 HA3 0.04 0.09 0.38 -0.51 4.01 4.00 1zoiB1 VAL 10 H 0.06 -0.03 -0.15 -0.55 8.24 7.56 1zoiB1 VAL 10 HA 0.07 0.17 0.78 -0.75 4.13 4.39 1zoiB1 VAL 10 HB 0.09 -0.08 0.05 -0.04 2.12 2.13 1zoiB1 VAL 10 HG13 0.12 0.01 -0.10 -0.04 0.97 0.96 1zoiB1 VAL 10 HG23 0.05 0.02 -0.13 -0.04 0.95 0.85 1zoiB1 GLN 11 H 0.08 0.12 0.23 -0.55 8.47 8.35 1zoiB1 GLN 11 HA 0.11 0.26 0.81 -0.75 4.36 4.79 1zoiB1 GLN 11 HB2 0.02 -0.10 0.25 -0.04 2.15 2.28 1zoiB1 GLN 11 HB3 -0.05 0.09 -0.00 -0.04 2.02 2.01 1zoiB1 GLN 11 HG2 -0.01 -0.00 -0.04 -0.04 2.40 2.31 1zoiB1 GLN 11 HG3 -0.14 0.03 -0.00 -0.04 2.39 2.24 1zoiB1 GLN 11 HE21 0.01 -0.00 -0.14 -0.04 6.97 6.79 1zoiB1 GLN 11 HE22 0.01 0.00 -0.25 -0.04 7.69 7.42 1zoiB1 ILE 12 H 0.21 0.73 0.35 -0.55 8.25 8.98 1zoiB1 ILE 12 HA 0.27 0.09 0.98 -0.75 4.18 4.76 1zoiB1 ILE 12 HB 0.13 0.02 0.16 -0.04 1.89 2.15 1zoiB1 ILE 12 HG12 0.14 -0.05 -0.20 -0.04 1.49 1.33 1zoiB1 ILE 12 HG13 0.10 -0.00 -0.03 -0.04 1.21 1.24 1zoiB1 ILE 12 HG23 0.21 0.07 -0.16 -0.04 0.93 1.01 1zoiB1 ILE 12 HD13 0.21 0.01 -0.05 -0.04 0.88 1.02 1zoiB1 PHE 13 H 0.34 0.08 0.18 -0.55 8.34 8.39 1zoiB1 PHE 13 HA -0.60 0.40 0.80 -0.75 4.62 4.47 1zoiB1 PHE 13 HB2 -0.27 0.11 -0.09 -0.04 3.15 2.86 1zoiB1 PHE 13 HB3 -0.04 -0.23 0.08 -0.04 3.06 2.83 1zoiB1 PHE 13 HD2 -0.56 -0.13 -0.12 -0.04 7.28 6.43 1zoiB1 PHE 13 HE2 -0.16 -0.06 -0.08 -0.04 7.38 7.03 1zoiB1 PHE 13 HZ -0.08 -0.05 -0.06 -0.04 7.32 7.09 1zoiB1 TYR 14 H -1.48 0.86 0.37 -0.55 8.29 7.49 1zoiB1 TYR 14 HA -0.33 0.01 0.85 -0.75 4.56 4.33 1zoiB1 TYR 14 HB2 -0.23 0.01 -0.07 -0.04 3.06 2.73 1zoiB1 TYR 14 HB3 -0.13 -0.06 -0.23 -0.04 2.98 2.51 1zoiB1 TYR 14 HD2 -0.21 0.04 -0.43 -0.04 7.15 6.51 1zoiB1 TYR 14 HE2 -0.10 -0.01 -0.40 -0.04 6.85 6.30 1zoiB1 LYS 15 H -0.19 0.66 0.39 -0.55 8.42 8.72 1zoiB1 LYS 15 HA -0.35 0.19 0.85 -0.75 4.32 4.25 1zoiB1 LYS 15 HB2 -0.56 -0.06 0.12 -0.04 1.87 1.33 1zoiB1 LYS 15 HB3 -1.07 0.00 0.01 -0.04 1.79 0.69 1zoiB1 LYS 15 HG2 -0.01 0.11 -0.11 -0.04 1.46 1.41 1zoiB1 LYS 15 HG3 -0.04 -0.04 -0.10 -0.04 1.46 1.24 1zoiB1 LYS 15 HD2 -0.34 -0.02 -0.13 -0.04 1.69 1.15 1zoiB1 LYS 15 HD3 -0.32 0.04 -0.07 -0.04 1.68 1.28 1zoiB1 LYS 15 HE2 0.27 0.07 -0.10 -0.04 2.99 3.20 1zoiB1 LYS 15 HE3 0.13 -0.16 -0.20 -0.04 2.99 2.72 1zoiB1 ASP 16 H -0.14 0.22 0.04 -0.55 8.40 7.97 1zoiB1 ASP 16 HA -0.11 0.27 0.86 -0.75 4.63 4.88 1zoiB1 ASP 16 HB2 0.13 -0.00 -0.23 -0.04 2.71 2.58 1zoiB1 ASP 16 HB3 0.12 -0.03 0.06 -0.04 2.70 2.82 1zoiB1 TRP 17 H 0.03 0.69 0.27 -0.55 7.97 8.42 1zoiB1 TRP 17 HA 0.02 0.18 1.06 -0.75 4.62 5.12 1zoiB1 TRP 17 HB2 0.04 -0.00 0.06 -0.04 3.23 3.29 1zoiB1 TRP 17 HB3 0.03 -0.01 0.03 -0.04 3.23 3.24 1zoiB1 TRP 17 HD1 0.00 0.30 -0.37 -0.04 7.22 7.11 1zoiB1 TRP 17 HE1 0.01 0.03 -0.03 -0.04 10.20 10.16 1zoiB1 TRP 17 HE3 0.04 0.05 -0.13 -0.04 7.59 7.51 1zoiB1 TRP 17 HZ2 0.04 0.00 -0.05 -0.04 7.44 7.40 1zoiB1 TRP 17 HZ3 0.03 -0.04 -0.10 -0.04 7.13 6.99 1zoiB1 TRP 17 HH2 0.04 -0.04 -0.06 -0.04 7.19 7.09 1zoiB1 GLY 18 H 0.17 0.06 0.14 -0.55 8.43 8.26 1zoiB1 GLY 18 HA2 0.10 -0.00 0.36 -0.51 4.01 3.96 1zoiB1 GLY 18 HA3 0.13 0.31 0.96 -0.51 4.01 4.91 1zoiB1 PRO 19 HA 0.02 -0.03 0.44 -0.51 4.44 4.37 1zoiB1 PRO 19 HB2 0.01 0.01 0.00 -0.04 2.28 2.26 1zoiB1 PRO 19 HB3 0.00 -0.01 0.06 -0.04 2.02 2.03 1zoiB1 PRO 19 HG2 0.00 0.09 0.03 -0.04 2.03 2.11 1zoiB1 PRO 19 HG3 0.01 -0.01 0.06 -0.04 2.03 2.05 1zoiB1 PRO 19 HD2 0.04 0.24 0.02 -0.04 3.68 3.94 1zoiB1 PRO 19 HD3 0.04 0.09 0.18 -0.04 3.65 3.91 1zoiB1 ARG 20 H 0.02 0.06 0.18 -0.55 8.46 8.16 1zoiB1 ARG 20 HA 0.02 0.14 0.31 -0.75 4.34 4.06 1zoiB1 ARG 20 HB2 0.00 -0.08 0.09 -0.04 1.90 1.88 1zoiB1 ARG 20 HB3 -0.00 0.08 0.04 -0.04 1.80 1.87 1zoiB1 ARG 20 HG2 0.01 -0.08 0.14 -0.04 1.67 1.70 1zoiB1 ARG 20 HG3 0.01 -0.02 0.05 -0.04 1.67 1.67 1zoiB1 ARG 20 HD2 0.02 -0.04 0.02 -0.04 3.22 3.18 1zoiB1 ARG 20 HD3 0.01 0.06 0.03 -0.04 3.22 3.27 1zoiB1 ASP 21 H 0.00 -0.06 -0.25 -0.55 8.40 7.55 1zoiB1 ASP 21 HA -0.00 0.30 0.77 -0.75 4.63 4.94 1zoiB1 ASP 21 HB2 -0.01 -0.08 0.02 -0.04 2.71 2.60 1zoiB1 ASP 21 HB3 -0.01 0.02 0.13 -0.04 2.70 2.80 1zoiB1 ALA 22 H 0.01 0.38 -0.46 -0.55 8.40 7.78 1zoiB1 ALA 22 HA -0.02 0.06 0.53 -0.75 4.34 4.16 1zoiB1 ALA 22 HB3 0.00 0.04 -0.04 -0.04 1.41 1.37 1zoiB1 PRO 23 HA 0.03 0.04 0.48 -0.51 4.44 4.48 1zoiB1 PRO 23 HB2 0.19 0.03 -0.00 -0.04 2.28 2.45 1zoiB1 PRO 23 HB3 0.03 0.02 0.13 -0.04 2.02 2.15 1zoiB1 PRO 23 HG2 -0.34 0.04 0.12 -0.04 2.03 1.81 1zoiB1 PRO 23 HG3 -0.19 0.01 0.10 -0.04 2.03 1.91 1zoiB1 PRO 23 HD2 -0.11 0.20 0.33 -0.04 3.68 4.06 1zoiB1 PRO 23 HD3 -0.06 0.08 0.23 -0.04 3.65 3.86 1zoiB1 VAL 24 H 0.03 0.12 0.19 -0.55 8.24 8.04 1zoiB1 VAL 24 HA 0.06 0.39 1.03 -0.75 4.13 4.85 1zoiB1 VAL 24 HB -0.05 -0.06 0.07 -0.04 2.12 2.03 1zoiB1 VAL 24 HG13 -0.12 -0.03 -0.25 -0.04 0.97 0.53 1zoiB1 VAL 24 HG23 -0.01 0.03 -0.08 -0.04 0.95 0.85 1zoiB1 ILE 25 H -0.07 0.61 0.36 -0.55 8.25 8.60 1zoiB1 ILE 25 HA -0.38 0.25 0.96 -0.75 4.18 4.26 1zoiB1 ILE 25 HB -0.31 -0.07 0.08 -0.04 1.89 1.56 1zoiB1 ILE 25 HG12 -0.54 0.05 -0.11 -0.04 1.49 0.85 1zoiB1 ILE 25 HG13 -0.36 0.05 -0.35 -0.04 1.21 0.51 1zoiB1 ILE 25 HG23 -1.19 -0.03 -0.22 -0.04 0.93 -0.55 1zoiB1 ILE 25 HD13 -1.12 -0.02 -0.14 -0.04 0.88 -0.44 1zoiB1 HIS 26 H -0.48 0.82 0.33 -0.55 8.41 8.54 1zoiB1 HIS 26 HA -0.30 0.20 0.91 -0.75 4.63 4.68 1zoiB1 HIS 26 HB2 -0.51 0.04 -0.02 -0.04 3.26 2.73 1zoiB1 HIS 26 HB3 -0.78 -0.04 0.14 -0.04 3.20 2.48 1zoiB1 HIS 26 HD2 -0.37 0.19 -0.17 -0.04 6.97 6.57 1zoiB1 HIS 26 HE1 -0.37 -0.03 -0.10 -0.04 7.75 7.20 1zoiB1 PHE 27 H 0.01 0.79 0.44 -0.55 8.34 9.03 1zoiB1 PHE 27 HA -0.46 0.27 0.97 -0.75 4.62 4.65 1zoiB1 PHE 27 HB2 -0.91 -0.01 0.14 -0.04 3.15 2.33 1zoiB1 PHE 27 HB3 -2.77 -0.09 -0.05 -0.04 3.06 0.11 1zoiB1 PHE 27 HD2 -1.25 0.06 -0.07 -0.04 7.28 5.98 1zoiB1 PHE 27 HE2 -0.30 0.03 -0.12 -0.04 7.38 6.94 1zoiB1 PHE 27 HZ -0.58 0.05 -0.17 -0.04 7.32 6.59 1zoiB1 HIS 28 H 0.21 0.69 0.40 -0.55 8.41 9.16 1zoiB1 HIS 28 HA 0.06 0.11 0.91 -0.75 4.63 4.95 1zoiB1 HIS 28 HB2 0.06 -0.08 0.20 -0.04 3.26 3.40 1zoiB1 HIS 28 HB3 -0.04 -0.02 0.06 -0.04 3.20 3.15 1zoiB1 HIS 28 HD2 -0.16 0.23 -0.14 -0.04 6.97 6.86 1zoiB1 HIS 28 HE1 -0.50 -0.00 -0.14 -0.04 7.75 7.06 1zoiB1 HIS 29 H 0.20 0.19 0.09 -0.55 8.41 8.35 1zoiB1 HIS 29 HA 0.20 0.06 0.45 -0.75 4.63 4.59 1zoiB1 HIS 29 HB2 -0.17 -0.06 0.07 -0.04 3.26 3.06 1zoiB1 HIS 29 HB3 0.13 0.03 -0.11 -0.04 3.20 3.21 1zoiB1 HIS 29 HD2 -0.07 0.33 0.00 -0.04 6.97 7.19 1zoiB1 HIS 29 HE1 -0.43 0.09 -0.25 -0.04 7.75 7.11 1zoiB1 GLY 30 H 0.07 0.08 0.12 -0.55 8.43 8.16 1zoiB1 GLY 30 HA2 0.01 0.01 0.81 -0.51 4.01 4.33 1zoiB1 GLY 30 HA3 0.03 0.05 0.36 -0.51 4.01 3.94 1zoiB1 TRP 31 H 0.18 0.02 0.22 -0.55 7.97 7.84 1zoiB1 TRP 31 HA 0.04 0.13 0.59 -0.75 4.62 4.62 1zoiB1 TRP 31 HB2 0.10 -0.01 0.10 -0.04 3.23 3.38 1zoiB1 TRP 31 HB3 -0.18 -0.02 0.14 -0.04 3.23 3.13 1zoiB1 TRP 31 HD1 0.40 -0.01 -0.06 -0.04 7.22 7.51 1zoiB1 TRP 31 HE1 0.28 0.25 0.12 -0.04 10.20 10.81 1zoiB1 TRP 31 HE3 0.04 -0.07 -0.32 -0.04 7.59 7.20 1zoiB1 TRP 31 HZ2 0.39 0.04 -0.11 -0.04 7.44 7.71 1zoiB1 TRP 31 HZ3 0.12 -0.03 -0.09 -0.04 7.13 7.09 1zoiB1 TRP 31 HH2 0.60 -0.00 -0.08 -0.04 7.19 7.67 1zoiB1 PRO 32 HA -0.93 0.04 0.32 -0.51 4.44 3.36 1zoiB1 PRO 32 HB2 -2.61 0.12 0.20 -0.04 2.28 -0.06 1zoiB1 PRO 32 HB3 -3.45 -0.01 0.07 -0.04 2.02 -1.42 1zoiB1 PRO 32 HG2 -1.90 0.05 0.04 -0.04 2.03 0.17 1zoiB1 PRO 32 HG3 -2.25 0.02 0.02 -0.04 2.03 -0.22 1zoiB1 PRO 32 HD2 -1.99 0.06 0.21 -0.04 3.68 1.92 1zoiB1 PRO 32 HD3 -0.95 0.10 -0.11 -0.04 3.65 2.64 1zoiB1 LEU 33 H -0.33 0.40 0.03 -0.55 8.37 7.92 1zoiB1 LEU 33 HA -0.64 0.24 0.58 -0.75 4.35 3.78 1zoiB1 LEU 33 HB2 -0.36 0.03 0.10 -0.04 1.64 1.37 1zoiB1 LEU 33 HB3 -0.52 -0.14 0.17 -0.04 1.64 1.12 1zoiB1 LEU 33 HG -0.82 0.02 -0.45 -0.04 1.64 0.36 1zoiB1 LEU 33 HD13 -0.54 -0.03 -0.06 -0.04 0.93 0.27 1zoiB1 LEU 33 HD23 -1.81 0.03 -0.16 -0.04 0.89 -1.09 1zoiB1 SER 34 H -0.55 0.22 0.20 -0.55 8.46 7.78 1zoiB1 SER 34 HA -1.11 0.15 0.51 -0.75 4.49 3.29 1zoiB1 SER 34 HB2 -0.20 -0.05 0.15 -0.04 3.95 3.81 1zoiB1 SER 34 HB3 -0.28 0.24 -0.18 -0.04 3.93 3.68 1zoiB1 ALA 35 H -0.06 0.23 0.02 -0.55 8.40 8.04 1zoiB1 ALA 35 HA 0.30 0.10 0.31 -0.75 4.34 4.30 1zoiB1 ALA 35 HB3 0.11 0.05 -0.22 -0.04 1.41 1.31 1zoiB1 ASP 36 H -0.08 0.06 -0.39 -0.55 8.40 7.45 1zoiB1 ASP 36 HA 0.03 0.12 0.34 -0.75 4.63 4.37 1zoiB1 ASP 36 HB2 -0.11 -0.02 -0.03 -0.04 2.71 2.51 1zoiB1 ASP 36 HB3 -0.04 0.05 -0.02 -0.04 2.70 2.64 1zoiB1 ASP 37 H -0.17 0.42 -0.49 -0.55 8.40 7.60 1zoiB1 ASP 37 HA -0.17 0.10 0.39 -0.75 4.63 4.20 1zoiB1 ASP 37 HB2 -0.34 -0.07 0.12 -0.04 2.71 2.38 1zoiB1 ASP 37 HB3 -0.54 0.03 0.01 -0.04 2.70 2.15 1zoiB1 TRP 38 H 0.08 0.46 -0.50 -0.55 7.97 7.46 1zoiB1 TRP 38 HA -0.10 0.17 0.75 -0.75 4.62 4.68 1zoiB1 TRP 38 HB2 -0.19 0.22 0.02 -0.04 3.23 3.23 1zoiB1 TRP 38 HB3 -0.42 -0.08 0.06 -0.04 3.23 2.76 1zoiB1 TRP 38 HD1 0.00 0.04 -0.04 -0.04 7.22 7.18 1zoiB1 TRP 38 HE1 0.14 -0.09 -0.58 -0.04 10.20 9.63 1zoiB1 TRP 38 HE3 -0.14 -0.08 -0.04 -0.04 7.59 7.30 1zoiB1 TRP 38 HZ2 0.20 0.18 -0.19 -0.04 7.44 7.60 1zoiB1 TRP 38 HZ3 0.10 0.01 -0.12 -0.04 7.13 7.09 1zoiB1 TRP 38 HH2 0.16 0.00 -0.27 -0.04 7.19 7.04 1zoiB1 ASP 39 H 0.07 0.38 -0.27 -0.55 8.40 8.04 1zoiB1 ASP 39 HA 0.18 0.05 0.28 -0.75 4.63 4.38 1zoiB1 ASP 39 HB2 0.05 -0.01 0.07 -0.04 2.71 2.78 1zoiB1 ASP 39 HB3 0.09 0.02 -0.07 -0.04 2.70 2.70 1zoiB1 ALA 40 H 0.07 0.14 -0.19 -0.55 8.40 7.87 1zoiB1 ALA 40 HA 0.10 0.06 0.39 -0.75 4.34 4.13 1zoiB1 ALA 40 HB3 0.04 0.02 0.06 -0.04 1.41 1.49 1zoiB1 GLN 41 H 0.15 0.18 -0.20 -0.55 8.47 8.06 1zoiB1 GLN 41 HA 0.26 0.06 0.48 -0.75 4.36 4.41 1zoiB1 GLN 41 HB2 0.08 0.05 0.10 -0.04 2.15 2.33 1zoiB1 GLN 41 HB3 -0.18 0.04 -0.08 -0.04 2.02 1.76 1zoiB1 GLN 41 HG2 0.55 -0.00 -0.06 -0.04 2.40 2.84 1zoiB1 GLN 41 HG3 0.36 0.02 -0.04 -0.04 2.39 2.69 1zoiB1 GLN 41 HE21 0.06 0.40 0.07 -0.04 6.97 7.45 1zoiB1 GLN 41 HE22 0.10 -0.02 -0.05 -0.04 7.69 7.68 1zoiB1 LEU 42 H 0.01 0.60 -0.11 -0.55 8.37 8.33 1zoiB1 LEU 42 HA -0.00 0.05 0.27 -0.75 4.35 3.92 1zoiB1 LEU 42 HB2 0.26 0.06 0.02 -0.04 1.64 1.93 1zoiB1 LEU 42 HB3 0.20 0.01 -0.08 -0.04 1.64 1.72 1zoiB1 LEU 42 HG -0.09 0.07 -0.25 -0.04 1.64 1.33 1zoiB1 LEU 42 HD13 -0.48 -0.00 -0.16 -0.04 0.93 0.25 1zoiB1 LEU 42 HD23 -0.53 -0.01 -0.17 -0.04 0.89 0.14 1zoiB1 LEU 43 H 0.22 0.51 -0.13 -0.55 8.37 8.43 1zoiB1 LEU 43 HA 0.19 0.05 0.41 -0.75 4.35 4.25 1zoiB1 LEU 43 HB2 0.15 0.06 0.07 -0.04 1.64 1.87 1zoiB1 LEU 43 HB3 0.10 -0.01 -0.01 -0.04 1.64 1.67 1zoiB1 LEU 43 HG 0.20 0.04 0.02 -0.04 1.64 1.86 1zoiB1 LEU 43 HD13 0.05 -0.01 -0.04 -0.04 0.93 0.89 1zoiB1 LEU 43 HD23 0.03 -0.00 -0.04 -0.04 0.89 0.84 1zoiB1 PHE 44 H 0.28 0.38 -0.29 -0.55 8.34 8.16 1zoiB1 PHE 44 HA 0.05 0.02 0.40 -0.75 4.62 4.32 1zoiB1 PHE 44 HB2 -0.01 0.01 0.11 -0.04 3.15 3.23 1zoiB1 PHE 44 HB3 -0.08 0.06 0.18 -0.04 3.06 3.17 1zoiB1 PHE 44 HD2 -0.93 -0.00 -0.13 -0.04 7.28 6.18 1zoiB1 PHE 44 HE2 -0.41 0.02 -0.09 -0.04 7.38 6.85 1zoiB1 PHE 44 HZ -0.41 0.01 -0.16 -0.04 7.32 6.71 1zoiB1 PHE 45 H 0.41 0.66 -0.09 -0.55 8.34 8.77 1zoiB1 PHE 45 HA 0.23 0.08 0.42 -0.75 4.62 4.60 1zoiB1 PHE 45 HB2 0.26 0.08 0.01 -0.04 3.15 3.46 1zoiB1 PHE 45 HB3 0.21 0.02 -0.08 -0.04 3.06 3.17 1zoiB1 PHE 45 HD2 0.12 0.12 -0.04 -0.04 7.28 7.43 1zoiB1 PHE 45 HE2 0.14 -0.04 -0.09 -0.04 7.38 7.34 1zoiB1 PHE 45 HZ 0.14 -0.06 -0.09 -0.04 7.32 7.27 1zoiB1 LEU 46 H 0.24 0.37 -0.35 -0.55 8.37 8.08 1zoiB1 LEU 46 HA 0.20 0.27 0.49 -0.75 4.35 4.56 1zoiB1 LEU 46 HB2 0.14 0.05 0.16 -0.04 1.64 1.95 1zoiB1 LEU 46 HB3 0.09 -0.07 -0.02 -0.04 1.64 1.60 1zoiB1 LEU 46 HG 0.32 0.13 -0.01 -0.04 1.64 2.04 1zoiB1 LEU 46 HD13 0.29 -0.06 -0.10 -0.04 0.93 1.02 1zoiB1 LEU 46 HD23 0.23 0.04 -0.13 -0.04 0.89 0.99 1zoiB1 ALA 47 H 0.00 0.44 -0.24 -0.55 8.40 8.05 1zoiB1 ALA 47 HA -0.11 0.01 0.43 -0.75 4.34 3.91 1zoiB1 ALA 47 HB3 -0.21 0.01 0.13 -0.04 1.41 1.29 1zoiB1 HIS 48 H 0.04 0.20 -0.84 -0.55 8.41 7.26 1zoiB1 HIS 48 HA -0.11 0.15 0.90 -0.75 4.63 4.83 1zoiB1 HIS 48 HB2 -0.13 0.01 0.05 -0.04 3.26 3.16 1zoiB1 HIS 48 HB3 0.04 -0.03 0.16 -0.04 3.20 3.34 1zoiB1 HIS 48 HD2 -0.10 -0.00 0.01 -0.04 6.97 6.83 1zoiB1 HIS 48 HE1 -0.60 -0.09 -0.07 -0.04 7.75 6.95 1zoiB1 GLY 49 H -0.01 0.29 -0.26 -0.55 8.43 7.90 1zoiB1 GLY 49 HA2 -0.07 -0.04 0.30 -0.51 4.01 3.69 1zoiB1 GLY 49 HA3 -0.17 0.03 0.42 -0.51 4.01 3.78 1zoiB1 TYR 50 H 0.24 0.40 0.05 -0.55 8.29 8.43 1zoiB1 TYR 50 HA 0.07 0.30 1.04 -0.75 4.56 5.22 1zoiB1 TYR 50 HB2 0.24 -0.07 -0.18 -0.04 3.06 3.01 1zoiB1 TYR 50 HB3 0.10 0.08 -0.07 -0.04 2.98 3.04 1zoiB1 TYR 50 HD2 0.19 0.07 -0.25 -0.04 7.15 7.12 1zoiB1 TYR 50 HE2 0.14 -0.02 -0.10 -0.04 6.85 6.83 1zoiB1 ARG 51 H 0.19 0.81 0.17 -0.55 8.46 9.07 1zoiB1 ARG 51 HA 0.13 0.11 0.80 -0.75 4.34 4.62 1zoiB1 ARG 51 HB2 0.06 0.11 -0.13 -0.04 1.90 1.90 1zoiB1 ARG 51 HB3 0.06 0.04 -0.16 -0.04 1.80 1.70 1zoiB1 ARG 51 HG2 0.02 -0.15 -0.40 -0.04 1.67 1.10 1zoiB1 ARG 51 HG3 0.07 0.01 -0.34 -0.04 1.67 1.36 1zoiB1 ARG 51 HD2 0.02 0.12 -0.18 -0.04 3.22 3.14 1zoiB1 ARG 51 HD3 0.00 0.06 -0.14 -0.04 3.22 3.10 1zoiB1 VAL 52 H 0.16 0.65 0.27 -0.55 8.24 8.77 1zoiB1 VAL 52 HA 0.07 0.29 1.15 -0.75 4.13 4.89 1zoiB1 VAL 52 HB 0.13 -0.07 -0.03 -0.04 2.12 2.11 1zoiB1 VAL 52 HG13 0.32 0.03 -0.29 -0.04 0.97 0.99 1zoiB1 VAL 52 HG23 0.17 -0.01 0.02 -0.04 0.95 1.08 1zoiB1 VAL 53 H -0.07 0.66 0.41 -0.55 8.24 8.69 1zoiB1 VAL 53 HA -0.22 0.34 1.08 -0.75 4.13 4.58 1zoiB1 VAL 53 HB -0.47 -0.05 0.07 -0.04 2.12 1.63 1zoiB1 VAL 53 HG13 -0.54 -0.00 -0.14 -0.04 0.97 0.25 1zoiB1 VAL 53 HG23 -0.18 0.01 -0.22 -0.04 0.95 0.52 1zoiB1 ALA 54 H -0.21 0.58 0.30 -0.55 8.40 8.52 1zoiB1 ALA 54 HA -0.01 0.29 0.86 -0.75 4.34 4.73 1zoiB1 ALA 54 HB3 -0.08 -0.03 0.02 -0.04 1.41 1.29 1zoiB1 HIS 55 H 0.14 0.27 0.22 -0.55 8.41 8.50 1zoiB1 HIS 55 HA 0.06 0.22 1.22 -0.75 4.63 5.37 1zoiB1 HIS 55 HB2 0.08 0.18 0.03 -0.04 3.26 3.52 1zoiB1 HIS 55 HB3 -0.01 -0.01 -0.07 -0.04 3.20 3.07 1zoiB1 HIS 55 HD2 0.08 0.12 -0.38 -0.04 6.97 6.75 1zoiB1 HIS 55 HE1 -0.29 0.01 -0.09 -0.04 7.75 7.34 1zoiB1 ASP 56 H 0.27 0.78 0.31 -0.55 8.40 9.22 1zoiB1 ASP 56 HA 0.20 -0.07 0.76 -0.75 4.63 4.77 1zoiB1 ASP 56 HB2 0.26 -0.01 0.25 -0.04 2.71 3.17 1zoiB1 ASP 56 HB3 0.16 0.28 -0.01 -0.04 2.70 3.08 1zoiB1 ARG 57 H 0.51 0.06 0.07 -0.55 8.46 8.55 1zoiB1 ARG 57 HA 0.05 0.04 0.33 -0.75 4.34 4.01 1zoiB1 ARG 57 HB2 -0.56 -0.00 0.02 -0.04 1.90 1.32 1zoiB1 ARG 57 HB3 -0.68 0.02 -0.06 -0.04 1.80 1.04 1zoiB1 ARG 57 HG2 -0.25 0.20 -0.14 -0.04 1.67 1.43 1zoiB1 ARG 57 HG3 -0.34 -0.09 0.04 -0.04 1.67 1.24 1zoiB1 ARG 57 HD2 -0.76 -0.00 -0.14 -0.04 3.22 2.28 1zoiB1 ARG 57 HD3 -1.77 -0.03 -0.11 -0.04 3.22 1.27 1zoiB1 ARG 58 H 0.22 0.05 0.11 -0.55 8.46 8.29 1zoiB1 ARG 58 HA 0.25 0.05 0.40 -0.75 4.34 4.29 1zoiB1 ARG 58 HB2 0.20 0.04 0.03 -0.04 1.90 2.14 1zoiB1 ARG 58 HB3 0.22 -0.02 0.09 -0.04 1.80 2.04 1zoiB1 ARG 58 HG2 0.44 -0.08 0.02 -0.04 1.67 2.02 1zoiB1 ARG 58 HG3 0.52 0.02 -0.12 -0.04 1.67 2.04 1zoiB1 ARG 58 HD2 -0.02 0.11 -0.19 -0.04 3.22 3.07 1zoiB1 ARG 58 HD3 -0.19 0.09 -0.17 -0.04 3.22 2.90 1zoiB1 GLY 59 H 0.23 0.35 0.11 -0.55 8.43 8.57 1zoiB1 GLY 59 HA2 0.13 0.05 0.32 -0.51 4.01 4.01 1zoiB1 GLY 59 HA3 0.23 -0.02 0.44 -0.51 4.01 4.15 1zoiB1 HIS 60 H 0.32 0.47 -0.39 -0.55 8.41 8.27 1zoiB1 HIS 60 HA 0.04 0.15 0.92 -0.75 4.63 4.98 1zoiB1 HIS 60 HB2 0.15 -0.00 -0.05 -0.04 3.26 3.32 1zoiB1 HIS 60 HB3 -0.03 0.27 0.07 -0.04 3.20 3.46 1zoiB1 HIS 60 HD2 -0.07 0.03 -0.27 -0.04 6.97 6.61 1zoiB1 HIS 60 HE1 0.29 -0.01 -0.20 -0.04 7.75 7.79 1zoiB1 GLY 61 H -0.04 0.31 0.10 -0.55 8.43 8.26 1zoiB1 GLY 61 HA2 -0.12 0.09 0.30 -0.51 4.01 3.77 1zoiB1 GLY 61 HA3 -0.09 -0.21 0.41 -0.51 4.01 3.61 1zoiB1 ARG 62 H -0.09 -0.03 0.26 -0.55 8.46 8.04 1zoiB1 ARG 62 HA -0.05 0.25 0.80 -0.75 4.34 4.59 1zoiB1 ARG 62 HB2 -0.73 -0.07 0.09 -0.04 1.90 1.15 1zoiB1 ARG 62 HB3 -0.20 0.03 0.14 -0.04 1.80 1.73 1zoiB1 ARG 62 HG2 -0.29 0.04 -0.01 -0.04 1.67 1.37 1zoiB1 ARG 62 HG3 -0.28 -0.03 -0.22 -0.04 1.67 1.10 1zoiB1 ARG 62 HD2 -1.51 0.07 -0.02 -0.04 3.22 1.72 1zoiB1 ARG 62 HD3 -0.47 0.00 -0.04 -0.04 3.22 2.67 1zoiB1 SER 63 H 0.14 0.46 0.10 -0.55 8.46 8.61 1zoiB1 SER 63 HA 0.35 0.10 0.69 -0.75 4.49 4.87 1zoiB1 SER 63 HB2 0.22 0.15 0.11 -0.04 3.95 4.39 1zoiB1 SER 63 HB3 0.23 -0.05 0.22 -0.04 3.93 4.29 1zoiB1 SER 64 H 0.18 0.56 0.38 -0.55 8.46 9.03 1zoiB1 SER 64 HA 0.08 0.10 0.41 -0.75 4.49 4.33 1zoiB1 SER 64 HB2 0.11 -0.10 0.25 -0.04 3.95 4.17 1zoiB1 SER 64 HB3 0.08 0.05 0.06 -0.04 3.93 4.07 1zoiB1 GLN 65 H 0.06 0.18 0.12 -0.55 8.47 8.29 1zoiB1 GLN 65 HA 0.10 0.10 0.72 -0.75 4.36 4.53 1zoiB1 GLN 65 HB2 0.04 -0.02 0.21 -0.04 2.15 2.34 1zoiB1 GLN 65 HB3 0.04 -0.07 0.19 -0.04 2.02 2.13 1zoiB1 GLN 65 HG2 -0.00 0.02 -0.04 -0.04 2.40 2.34 1zoiB1 GLN 65 HG3 0.01 0.07 0.02 -0.04 2.39 2.45 1zoiB1 GLN 65 HE21 -0.07 0.06 -0.18 -0.04 6.97 6.74 1zoiB1 GLN 65 HE22 -0.05 0.22 -0.03 -0.04 7.69 7.79 1zoiB1 VAL 66 H 0.16 0.38 -0.36 -0.55 8.24 7.87 1zoiB1 VAL 66 HA 0.17 0.04 0.43 -0.75 4.13 4.01 1zoiB1 VAL 66 HB 0.05 0.05 0.02 -0.04 2.12 2.20 1zoiB1 VAL 66 HG13 -0.04 -0.06 -0.05 -0.04 0.97 0.77 1zoiB1 VAL 66 HG23 0.08 0.00 -0.03 -0.04 0.95 0.96 1zoiB1 TRP 67 H 0.43 0.10 0.16 -0.55 7.97 8.12 1zoiB1 TRP 67 HA 0.18 0.16 0.56 -0.75 4.62 4.76 1zoiB1 TRP 67 HB2 0.06 -0.01 0.11 -0.04 3.23 3.35 1zoiB1 TRP 67 HB3 0.05 0.05 0.11 -0.04 3.23 3.39 1zoiB1 TRP 67 HD1 0.02 -0.00 0.08 -0.04 7.22 7.28 1zoiB1 TRP 67 HE1 0.01 0.02 -0.02 -0.04 10.20 10.18 1zoiB1 TRP 67 HE3 0.05 0.00 -0.03 -0.04 7.59 7.57 1zoiB1 TRP 67 HZ2 0.01 0.02 -0.03 -0.04 7.44 7.40 1zoiB1 TRP 67 HZ3 0.03 0.01 -0.02 -0.04 7.13 7.10 1zoiB1 TRP 67 HH2 0.01 0.01 -0.02 -0.04 7.19 7.15 1zoiB1 ASP 68 H -0.53 0.06 -0.13 -0.55 8.40 7.25 1zoiB1 ASP 68 HA -0.47 0.24 0.90 -0.75 4.63 4.55 1zoiB1 ASP 68 HB2 -0.76 -0.14 0.14 -0.04 2.71 1.90 1zoiB1 ASP 68 HB3 -2.08 0.08 -0.10 -0.04 2.70 0.56 1zoiB1 GLY 69 H -0.52 0.17 0.08 -0.55 8.43 7.61 1zoiB1 GLY 69 HA2 -1.00 0.01 0.27 -0.51 4.01 2.78 1zoiB1 GLY 69 HA3 -0.88 0.13 0.45 -0.51 4.01 3.19 1zoiB1 HIS 70 H -0.27 0.08 -0.32 -0.55 8.41 7.35 1zoiB1 HIS 70 HA 0.00 0.17 0.57 -0.75 4.63 4.62 1zoiB1 HIS 70 HB2 0.04 -0.04 0.06 -0.04 3.26 3.28 1zoiB1 HIS 70 HB3 0.22 0.04 -0.03 -0.04 3.20 3.39 1zoiB1 HIS 70 HD2 -0.01 0.10 -0.33 -0.04 6.97 6.68 1zoiB1 HIS 70 HE1 0.17 -0.02 -0.32 -0.04 7.75 7.53 1zoiB1 ASP 71 H -0.44 0.49 0.05 -0.55 8.40 7.95 1zoiB1 ASP 71 HA -0.24 0.20 0.58 -0.75 4.63 4.41 1zoiB1 ASP 71 HB2 -0.10 -0.04 0.08 -0.04 2.71 2.61 1zoiB1 ASP 71 HB3 -0.10 0.16 -0.14 -0.04 2.70 2.58 1zoiB1 MET 72 H -0.11 0.26 0.11 -0.55 8.47 8.18 1zoiB1 MET 72 HA 0.11 0.08 0.35 -0.75 4.52 4.30 1zoiB1 MET 72 HB2 0.10 0.09 0.11 -0.04 2.15 2.40 1zoiB1 MET 72 HB3 0.07 0.04 -0.02 -0.04 2.03 2.09 1zoiB1 MET 72 HG2 0.75 0.09 -0.11 -0.04 2.63 3.32 1zoiB1 MET 72 HG3 0.34 -0.02 -0.06 -0.04 2.56 2.77 1zoiB1 MET 72 HE3 0.43 -0.02 -0.14 -0.04 2.10 2.33 1zoiB1 ASP 73 H -0.03 0.09 -0.16 -0.55 8.40 7.74 1zoiB1 ASP 73 HA 0.02 0.16 0.39 -0.75 4.63 4.45 1zoiB1 ASP 73 HB2 -0.04 -0.07 0.05 -0.04 2.71 2.60 1zoiB1 ASP 73 HB3 -0.11 0.07 -0.04 -0.04 2.70 2.59 1zoiB1 HIS 74 H 0.06 0.08 -0.22 -0.55 8.41 7.79 1zoiB1 HIS 74 HA 0.02 0.06 0.47 -0.75 4.63 4.43 1zoiB1 HIS 74 HB2 -0.15 0.13 0.22 -0.04 3.26 3.42 1zoiB1 HIS 74 HB3 -0.02 0.00 0.08 -0.04 3.20 3.22 1zoiB1 HIS 74 HD2 -0.04 -0.01 0.03 -0.04 6.97 6.90 1zoiB1 HIS 74 HE1 -0.08 0.03 -0.03 -0.04 7.75 7.63 1zoiB1 TYR 75 H 0.02 0.47 -0.10 -0.55 8.29 8.13 1zoiB1 TYR 75 HA 0.15 -0.01 0.38 -0.75 4.56 4.32 1zoiB1 TYR 75 HB2 0.14 0.11 0.11 -0.04 3.06 3.38 1zoiB1 TYR 75 HB3 0.13 -0.03 -0.02 -0.04 2.98 3.02 1zoiB1 TYR 75 HD2 0.17 -0.04 -0.09 -0.04 7.15 7.15 1zoiB1 TYR 75 HE2 0.28 0.03 -0.15 -0.04 6.85 6.97 1zoiB1 ALA 76 H 0.22 0.59 -0.23 -0.55 8.40 8.43 1zoiB1 ALA 76 HA 0.22 0.04 0.43 -0.75 4.34 4.27 1zoiB1 ALA 76 HB3 0.22 0.03 -0.05 -0.04 1.41 1.57 1zoiB1 ASP 77 H 0.14 0.48 -0.10 -0.55 8.40 8.38 1zoiB1 ASP 77 HA 0.15 0.09 0.51 -0.75 4.63 4.63 1zoiB1 ASP 77 HB2 0.03 0.02 0.15 -0.04 2.71 2.86 1zoiB1 ASP 77 HB3 0.06 -0.07 0.07 -0.04 2.70 2.72 1zoiB1 ASP 78 H 0.12 0.53 -0.31 -0.55 8.40 8.20 1zoiB1 ASP 78 HA 0.04 -0.04 0.46 -0.75 4.63 4.33 1zoiB1 ASP 78 HB2 0.17 0.21 0.18 -0.04 2.71 3.22 1zoiB1 ASP 78 HB3 0.11 -0.04 0.00 -0.04 2.70 2.72 1zoiB1 VAL 79 H 0.01 0.43 -0.21 -0.55 8.24 7.92 1zoiB1 VAL 79 HA -0.38 -0.00 0.36 -0.75 4.13 3.35 1zoiB1 VAL 79 HB -0.22 0.23 0.15 -0.04 2.12 2.24 1zoiB1 VAL 79 HG13 -0.87 -0.01 -0.18 -0.04 0.97 -0.13 1zoiB1 VAL 79 HG23 0.04 0.05 -0.03 -0.04 0.95 0.96 1zoiB1 ALA 80 H -0.10 0.45 -0.24 -0.55 8.40 7.96 1zoiB1 ALA 80 HA -0.05 0.02 0.32 -0.75 4.34 3.87 1zoiB1 ALA 80 HB3 -0.44 0.06 0.10 -0.04 1.41 1.08 1zoiB1 ALA 81 H -0.07 0.38 -0.35 -0.55 8.40 7.81 1zoiB1 ALA 81 HA -0.03 0.02 0.40 -0.75 4.34 3.98 1zoiB1 ALA 81 HB3 -0.03 0.03 0.05 -0.04 1.41 1.43 1zoiB1 VAL 82 H -0.16 0.46 -0.17 -0.55 8.24 7.82 1zoiB1 VAL 82 HA -0.23 0.02 0.34 -0.75 4.13 3.50 1zoiB1 VAL 82 HB -0.26 0.13 0.10 -0.04 2.12 2.05 1zoiB1 VAL 82 HG13 -0.46 -0.01 -0.24 -0.04 0.97 0.21 1zoiB1 VAL 82 HG23 -0.30 0.02 -0.06 -0.04 0.95 0.57 1zoiB1 VAL 83 H -0.13 0.65 -0.14 -0.55 8.24 8.06 1zoiB1 VAL 83 HA -0.07 0.02 0.27 -0.75 4.13 3.59 1zoiB1 VAL 83 HB -0.02 0.08 0.06 -0.04 2.12 2.20 1zoiB1 VAL 83 HG13 0.08 -0.00 -0.36 -0.04 0.97 0.65 1zoiB1 VAL 83 HG23 -0.06 0.04 -0.11 -0.04 0.95 0.79 1zoiB1 ALA 84 H -0.03 0.66 -0.15 -0.55 8.40 8.33 1zoiB1 ALA 84 HA -0.00 0.00 0.40 -0.75 4.34 3.99 1zoiB1 ALA 84 HB3 0.01 0.00 0.07 -0.04 1.41 1.45 1zoiB1 HIS 85 H 0.04 0.55 -0.17 -0.55 8.41 8.28 1zoiB1 HIS 85 HA -0.04 -0.01 0.39 -0.75 4.63 4.22 1zoiB1 HIS 85 HB2 -0.07 0.02 0.13 -0.04 3.26 3.31 1zoiB1 HIS 85 HB3 -0.19 0.08 0.11 -0.04 3.20 3.16 1zoiB1 HIS 85 HD2 0.01 -0.03 0.06 -0.04 6.97 6.97 1zoiB1 HIS 85 HE1 0.15 -0.01 -0.02 -0.04 7.75 7.83 1zoiB1 LEU 86 H -0.10 0.43 -0.26 -0.55 8.37 7.89 1zoiB1 LEU 86 HA -0.18 0.11 0.61 -0.75 4.35 4.14 1zoiB1 LEU 86 HB2 -0.17 0.01 -0.02 -0.04 1.64 1.41 1zoiB1 LEU 86 HB3 -0.13 0.00 -0.01 -0.04 1.64 1.47 1zoiB1 LEU 86 HG -0.32 0.01 -0.08 -0.04 1.64 1.21 1zoiB1 LEU 86 HD13 -0.46 -0.02 -0.14 -0.04 0.93 0.27 1zoiB1 LEU 86 HD23 -0.06 0.01 -0.13 -0.04 0.89 0.67 1zoiB1 GLY 87 H -0.06 0.25 -0.35 -0.55 8.43 7.71 1zoiB1 GLY 87 HA2 -0.03 -0.05 0.33 -0.51 4.01 3.76 1zoiB1 GLY 87 HA3 -0.04 0.03 0.40 -0.51 4.01 3.89 1zoiB1 ILE 88 H -0.04 0.32 -0.12 -0.55 8.25 7.85 1zoiB1 ILE 88 HA -0.02 0.33 0.81 -0.75 4.18 4.55 1zoiB1 ILE 88 HB -0.06 -0.05 0.06 -0.04 1.89 1.80 1zoiB1 ILE 88 HG12 -0.10 0.05 -0.04 -0.04 1.49 1.36 1zoiB1 ILE 88 HG13 -0.00 -0.08 -0.11 -0.04 1.21 0.97 1zoiB1 ILE 88 HG23 -0.09 0.03 -0.24 -0.04 0.93 0.60 1zoiB1 ILE 88 HD13 -0.21 -0.02 -0.15 -0.04 0.88 0.46 1zoiB1 GLN 89 H 0.02 0.13 -0.44 -0.55 8.47 7.63 1zoiB1 GLN 89 HA 0.10 -0.02 0.37 -0.75 4.36 4.06 1zoiB1 GLN 89 HB2 0.03 0.07 -0.04 -0.04 2.15 2.17 1zoiB1 GLN 89 HB3 0.05 -0.05 0.02 -0.04 2.02 2.00 1zoiB1 GLN 89 HG2 0.04 0.02 -0.06 -0.04 2.40 2.36 1zoiB1 GLN 89 HG3 0.06 -0.04 -0.10 -0.04 2.39 2.26 1zoiB1 GLN 89 HE21 0.00 0.07 0.01 -0.04 6.97 7.01 1zoiB1 GLN 89 HE22 0.02 -0.04 -0.09 -0.04 7.69 7.54 1zoiB1 GLY 90 H 0.10 0.03 -0.08 -0.55 8.43 7.94 1zoiB1 GLY 90 HA2 0.05 0.29 0.07 -0.51 4.01 3.91 1zoiB1 GLY 90 HA3 0.03 0.10 0.39 -0.51 4.01 4.02 1zoiB1 ALA 91 H 0.09 0.09 -0.27 -0.55 8.40 7.76 1zoiB1 ALA 91 HA -0.03 0.15 0.56 -0.75 4.34 4.27 1zoiB1 ALA 91 HB3 -0.13 0.01 -0.04 -0.04 1.41 1.20 1zoiB1 VAL 92 H -0.16 0.63 0.37 -0.55 8.24 8.54 1zoiB1 VAL 92 HA -0.04 0.18 0.89 -0.75 4.13 4.40 1zoiB1 VAL 92 HB -0.26 0.00 0.21 -0.04 2.12 2.03 1zoiB1 VAL 92 HG13 -0.18 -0.02 -0.25 -0.04 0.97 0.47 1zoiB1 VAL 92 HG23 -0.09 0.02 0.03 -0.04 0.95 0.86 1zoiB1 HIS 93 H 0.04 0.56 0.35 -0.55 8.41 8.81 1zoiB1 HIS 93 HA -0.16 0.26 1.12 -0.75 4.63 5.10 1zoiB1 HIS 93 HB2 -0.08 0.03 0.13 -0.04 3.26 3.30 1zoiB1 HIS 93 HB3 -0.20 -0.06 -0.03 -0.04 3.20 2.86 1zoiB1 HIS 93 HD2 0.03 0.18 -0.23 -0.04 6.97 6.89 1zoiB1 HIS 93 HE1 -0.12 -0.04 -0.13 -0.04 7.75 7.42 1zoiB1 VAL 94 H -0.31 0.76 0.34 -0.55 8.24 8.47 1zoiB1 VAL 94 HA -0.11 0.22 1.07 -0.75 4.13 4.55 1zoiB1 VAL 94 HB -0.92 -0.06 0.07 -0.04 2.12 1.16 1zoiB1 VAL 94 HG13 0.01 -0.03 -0.17 -0.04 0.97 0.74 1zoiB1 VAL 94 HG23 -0.52 0.02 -0.22 -0.04 0.95 0.19 1zoiB1 GLY 95 H 0.03 0.75 0.38 -0.55 8.43 9.05 1zoiB1 GLY 95 HA2 0.31 0.19 1.03 -0.51 4.01 5.03 1zoiB1 GLY 95 HA3 0.04 0.07 -0.04 -0.51 4.01 3.56 1zoiB1 HIS 96 H 0.52 0.65 0.20 -0.55 8.41 9.23 1zoiB1 HIS 96 HA 0.07 0.35 1.03 -0.75 4.63 5.33 1zoiB1 HIS 96 HB2 0.15 0.03 -0.03 -0.04 3.26 3.37 1zoiB1 HIS 96 HB3 -0.06 -0.07 0.11 -0.04 3.20 3.14 1zoiB1 HIS 96 HD2 -0.16 0.08 -0.02 -0.04 6.97 6.82 1zoiB1 HIS 96 HE1 -0.25 -0.05 -0.08 -0.04 7.75 7.32 1zoiB1 SER 97 H -0.30 0.78 0.04 -0.55 8.46 8.44 1zoiB1 SER 97 HA -0.15 0.44 0.46 -0.75 4.49 4.48 1zoiB1 SER 97 HB2 -0.83 0.08 -0.02 -0.04 3.95 3.14 1zoiB1 SER 97 HB3 -0.22 -0.18 0.22 -0.04 3.93 3.71 1zoiB1 THR 98 H -0.09 0.07 0.33 -0.55 8.28 8.04 1zoiB1 THR 98 HA 0.03 0.08 0.48 -0.75 4.39 4.23 1zoiB1 THR 98 HB 0.05 -0.05 0.19 -0.04 4.32 4.47 1zoiB1 THR 98 HG23 0.17 0.03 -0.09 -0.04 1.22 1.28 1zoiB1 GLY 99 H -0.02 0.51 -0.25 -0.55 8.43 8.13 1zoiB1 GLY 99 HA2 -0.02 0.01 0.25 -0.51 4.01 3.73 1zoiB1 GLY 99 HA3 0.10 0.25 0.07 -0.51 4.01 3.92 1zoiB1 GLY 100 H -0.04 0.39 -0.88 -0.55 8.43 7.36 1zoiB1 GLY 100 HA2 -0.07 0.09 0.37 -0.51 4.01 3.89 1zoiB1 GLY 100 HA3 -0.08 0.04 0.13 -0.51 4.01 3.60 1zoiB1 GLY 101 H -0.17 0.28 -0.20 -0.55 8.43 7.79 1zoiB1 GLY 101 HA2 -0.98 0.06 0.38 -0.51 4.01 2.97 1zoiB1 GLY 101 HA3 -0.61 0.08 0.26 -0.51 4.01 3.22 1zoiB1 GLU 102 H -0.05 0.38 -0.28 -0.55 8.60 8.11 1zoiB1 GLU 102 HA 0.15 -0.02 0.34 -0.75 4.29 4.01 1zoiB1 GLU 102 HB2 0.07 -0.04 -0.01 -0.04 2.09 2.08 1zoiB1 GLU 102 HB3 -0.02 0.17 0.09 -0.04 1.99 2.19 1zoiB1 GLU 102 HG2 0.08 0.06 -0.32 -0.04 2.34 2.11 1zoiB1 GLU 102 HG3 0.18 -0.08 -0.22 -0.04 2.34 2.18 1zoiB1 VAL 103 H -0.20 0.48 -0.25 -0.55 8.24 7.72 1zoiB1 VAL 103 HA -0.34 0.02 0.30 -0.75 4.13 3.36 1zoiB1 VAL 103 HB -0.19 0.09 0.09 -0.04 2.12 2.07 1zoiB1 VAL 103 HG13 -0.13 0.02 -0.21 -0.04 0.97 0.61 1zoiB1 VAL 103 HG23 -0.65 0.03 -0.16 -0.04 0.95 0.13 1zoiB1 VAL 104 H -0.15 0.43 -0.25 -0.55 8.24 7.71 1zoiB1 VAL 104 HA -0.05 0.10 0.32 -0.75 4.13 3.74 1zoiB1 VAL 104 HB -0.23 0.04 0.10 -0.04 2.12 1.99 1zoiB1 VAL 104 HG13 0.04 0.00 -0.21 -0.04 0.97 0.76 1zoiB1 VAL 104 HG23 -0.12 0.05 -0.05 -0.04 0.95 0.79 1zoiB1 ARG 105 H 0.06 0.55 -0.15 -0.55 8.46 8.37 1zoiB1 ARG 105 HA 0.12 0.01 0.39 -0.75 4.34 4.11 1zoiB1 ARG 105 HB2 0.35 0.01 0.04 -0.04 1.90 2.26 1zoiB1 ARG 105 HB3 0.20 0.08 0.07 -0.04 1.80 2.11 1zoiB1 ARG 105 HG2 0.14 -0.18 -0.32 -0.04 1.67 1.28 1zoiB1 ARG 105 HG3 0.12 0.01 -0.19 -0.04 1.67 1.57 1zoiB1 ARG 105 HD2 0.03 -0.05 -0.06 -0.04 3.22 3.10 1zoiB1 ARG 105 HD3 0.05 0.03 0.07 -0.04 3.22 3.33 1zoiB1 TYR 106 H 0.14 0.58 -0.25 -0.55 8.29 8.21 1zoiB1 TYR 106 HA 0.12 -0.06 0.40 -0.75 4.56 4.27 1zoiB1 TYR 106 HB2 -0.03 -0.08 0.09 -0.04 3.06 3.00 1zoiB1 TYR 106 HB3 -0.16 0.16 0.14 -0.04 2.98 3.09 1zoiB1 TYR 106 HD2 -0.23 0.08 -0.04 -0.04 7.15 6.92 1zoiB1 TYR 106 HE2 -0.34 -0.04 -0.08 -0.04 6.85 6.35 1zoiB1 MET 107 H -0.02 0.55 -0.12 -0.55 8.47 8.33 1zoiB1 MET 107 HA -0.33 0.08 0.32 -0.75 4.52 3.84 1zoiB1 MET 107 HB2 -0.06 0.07 0.09 -0.04 2.15 2.21 1zoiB1 MET 107 HB3 -0.07 0.01 -0.03 -0.04 2.03 1.89 1zoiB1 MET 107 HG2 -0.07 0.00 -0.00 -0.04 2.63 2.52 1zoiB1 MET 107 HG3 -0.03 0.01 0.03 -0.04 2.56 2.54 1zoiB1 MET 107 HE3 -0.00 0.02 -0.15 -0.04 2.10 1.93 1zoiB1 ALA 108 H -0.05 0.34 -0.38 -0.55 8.40 7.76 1zoiB1 ALA 108 HA -0.07 0.11 0.38 -0.75 4.34 4.00 1zoiB1 ALA 108 HB3 -0.02 -0.02 0.06 -0.04 1.41 1.39 1zoiB1 ARG 109 H -0.10 0.56 -0.05 -0.55 8.46 8.31 1zoiB1 ARG 109 HA -0.21 0.06 0.59 -0.75 4.34 4.03 1zoiB1 ARG 109 HB2 -0.11 0.08 0.08 -0.04 1.90 1.91 1zoiB1 ARG 109 HB3 -0.44 -0.09 0.06 -0.04 1.80 1.29 1zoiB1 ARG 109 HG2 -0.11 -0.04 0.02 -0.04 1.67 1.50 1zoiB1 ARG 109 HG3 -0.05 0.03 0.01 -0.04 1.67 1.62 1zoiB1 ARG 109 HD2 -0.01 -0.13 -0.00 -0.04 3.22 3.03 1zoiB1 ARG 109 HD3 0.05 0.03 -0.03 -0.04 3.22 3.23 1zoiB1 HIS 110 H -0.26 0.47 -0.43 -0.55 8.41 7.65 1zoiB1 HIS 110 HA -0.14 0.11 0.93 -0.75 4.63 4.77 1zoiB1 HIS 110 HB2 -0.87 0.16 0.13 -0.04 3.26 2.65 1zoiB1 HIS 110 HB3 -0.23 -0.14 0.13 -0.04 3.20 2.91 1zoiB1 HIS 110 HD2 -0.06 0.05 -0.09 -0.04 6.97 6.82 1zoiB1 HIS 110 HE1 0.01 -0.06 -0.02 -0.04 7.75 7.64 1zoiB1 PRO 111 HA -0.09 0.21 0.43 -0.51 4.44 4.48 1zoiB1 PRO 111 HB2 -0.05 -0.02 0.00 -0.04 2.28 2.17 1zoiB1 PRO 111 HB3 -0.07 0.12 0.09 -0.04 2.02 2.11 1zoiB1 PRO 111 HG2 -0.06 -0.06 -0.03 -0.04 2.03 1.84 1zoiB1 PRO 111 HG3 -0.07 0.02 0.01 -0.04 2.03 1.95 1zoiB1 PRO 111 HD2 -0.14 0.11 -0.06 -0.04 3.68 3.55 1zoiB1 PRO 111 HD3 -0.14 0.32 -0.29 -0.04 3.65 3.50 1zoiB1 GLU 112 H -0.04 0.05 -0.41 -0.55 8.60 7.65 1zoiB1 GLU 112 HA -0.01 0.06 0.34 -0.75 4.29 3.92 1zoiB1 GLU 112 HB2 0.03 -0.02 -0.03 -0.04 2.09 2.03 1zoiB1 GLU 112 HB3 0.01 -0.01 0.00 -0.04 1.99 1.96 1zoiB1 GLU 112 HG2 -0.02 -0.00 0.01 -0.04 2.34 2.30 1zoiB1 GLU 112 HG3 0.01 -0.02 0.01 -0.04 2.34 2.30 1zoiB1 ASP 113 H -0.03 0.37 -0.35 -0.55 8.40 7.84 1zoiB1 ASP 113 HA 0.03 0.02 0.61 -0.75 4.63 4.54 1zoiB1 ASP 113 HB2 0.09 -0.06 0.03 -0.04 2.71 2.73 1zoiB1 ASP 113 HB3 -0.04 0.20 0.17 -0.04 2.70 2.99 1zoiB1 LYS 114 H 0.02 0.16 0.09 -0.55 8.42 8.14 1zoiB1 LYS 114 HA 0.00 0.19 0.52 -0.75 4.32 4.27 1zoiB1 LYS 114 HB2 0.01 -0.06 0.20 -0.04 1.87 1.98 1zoiB1 LYS 114 HB3 0.01 0.05 0.10 -0.04 1.79 1.91 1zoiB1 LYS 114 HG2 0.01 0.04 0.08 -0.04 1.46 1.55 1zoiB1 LYS 114 HG3 0.00 -0.06 0.04 -0.04 1.46 1.41 1zoiB1 LYS 114 HD2 -0.01 -0.04 -0.01 -0.04 1.69 1.59 1zoiB1 LYS 114 HD3 -0.01 0.14 -0.28 -0.04 1.68 1.49 1zoiB1 LYS 114 HE2 -0.00 0.07 0.02 -0.04 2.99 3.04 1zoiB1 LYS 114 HE3 -0.01 -0.10 0.00 -0.04 2.99 2.84 1zoiB1 VAL 115 H 0.03 0.50 0.04 -0.55 8.24 8.25 1zoiB1 VAL 115 HA 0.11 -0.07 0.29 -0.75 4.13 3.70 1zoiB1 VAL 115 HB 0.04 -0.01 0.04 -0.04 2.12 2.15 1zoiB1 VAL 115 HG13 0.16 0.04 -0.13 -0.04 0.97 0.99 1zoiB1 VAL 115 HG23 0.10 0.01 -0.01 -0.04 0.95 1.01 1zoiB1 ALA 116 H 0.05 0.35 -0.04 -0.55 8.40 8.21 1zoiB1 ALA 116 HA 0.01 0.06 0.52 -0.75 4.34 4.18 1zoiB1 ALA 116 HB3 -0.01 0.01 0.08 -0.04 1.41 1.45 1zoiB1 LYS 117 H 0.01 0.19 0.18 -0.55 8.42 8.25 1zoiB1 LYS 117 HA 0.04 0.28 0.63 -0.75 4.32 4.52 1zoiB1 LYS 117 HB2 -0.08 -0.12 -0.05 -0.04 1.87 1.57 1zoiB1 LYS 117 HB3 0.03 0.01 0.08 -0.04 1.79 1.88 1zoiB1 LYS 117 HG2 -0.09 0.10 0.12 -0.04 1.46 1.55 1zoiB1 LYS 117 HG3 -0.10 -0.08 -0.43 -0.04 1.46 0.80 1zoiB1 LYS 117 HD2 -0.39 0.01 -0.01 -0.04 1.69 1.27 1zoiB1 LYS 117 HD3 -0.95 -0.05 -0.06 -0.04 1.68 0.58 1zoiB1 LYS 117 HE2 -0.21 -0.06 0.04 -0.04 2.99 2.72 1zoiB1 LYS 117 HE3 -0.18 -0.04 0.01 -0.04 2.99 2.75 1zoiB1 ALA 118 H 0.18 0.60 0.33 -0.55 8.40 8.96 1zoiB1 ALA 118 HA 0.05 0.21 0.95 -0.75 4.34 4.79 1zoiB1 ALA 118 HB3 0.03 -0.01 -0.07 -0.04 1.41 1.32 1zoiB1 VAL 119 H -0.01 0.59 0.41 -0.55 8.24 8.68 1zoiB1 VAL 119 HA -0.05 0.26 1.07 -0.75 4.13 4.65 1zoiB1 VAL 119 HB -0.02 -0.12 0.14 -0.04 2.12 2.09 1zoiB1 VAL 119 HG13 0.00 -0.02 -0.14 -0.04 0.97 0.77 1zoiB1 VAL 119 HG23 0.13 0.02 -0.21 -0.04 0.95 0.85 1zoiB1 LEU 120 H -0.03 0.74 0.34 -0.55 8.37 8.86 1zoiB1 LEU 120 HA 0.01 0.13 0.99 -0.75 4.35 4.73 1zoiB1 LEU 120 HB2 -0.01 -0.01 0.19 -0.04 1.64 1.77 1zoiB1 LEU 120 HB3 -0.02 -0.09 0.02 -0.04 1.64 1.51 1zoiB1 LEU 120 HG -0.03 0.06 -0.18 -0.04 1.64 1.45 1zoiB1 LEU 120 HD13 -0.05 0.01 -0.15 -0.04 0.93 0.70 1zoiB1 LEU 120 HD23 -0.07 0.02 -0.17 -0.04 0.89 0.63 1zoiB1 ILE 121 H 0.10 0.83 0.38 -0.55 8.25 9.01 1zoiB1 ILE 121 HA 0.06 0.22 1.07 -0.75 4.18 4.78 1zoiB1 ILE 121 HB 0.28 -0.07 0.15 -0.04 1.89 2.21 1zoiB1 ILE 121 HG12 0.11 0.03 -0.16 -0.04 1.49 1.43 1zoiB1 ILE 121 HG13 0.15 0.07 -0.21 -0.04 1.21 1.18 1zoiB1 ILE 121 HG23 0.07 -0.01 -0.10 -0.04 0.93 0.85 1zoiB1 ILE 121 HD13 0.27 -0.01 -0.13 -0.04 0.88 0.97 1zoiB1 ALA 122 H -0.13 0.83 0.41 -0.55 8.40 8.97 1zoiB1 ALA 122 HA -1.13 0.05 0.47 -0.75 4.34 2.97 1zoiB1 ALA 122 HB3 -0.31 -0.01 0.18 -0.04 1.41 1.23 1zoiB1 ALA 123 H 0.02 0.13 -0.39 -0.55 8.40 7.61 1zoiB1 ALA 123 HA -0.05 0.01 0.58 -0.75 4.34 4.12 1zoiB1 ALA 123 HB3 -0.03 0.00 -0.10 -0.04 1.41 1.24 1zoiB1 VAL 124 H -0.04 0.16 0.04 -0.55 8.24 7.85 1zoiB1 VAL 124 HA 0.09 0.09 0.30 -0.75 4.13 3.85 1zoiB1 VAL 124 HB 0.19 0.16 0.07 -0.04 2.12 2.50 1zoiB1 VAL 124 HG13 -0.01 -0.05 -0.10 -0.04 0.97 0.77 1zoiB1 VAL 124 HG23 0.05 -0.01 0.01 -0.04 0.95 0.95 1zoiB1 PRO 125 HA 0.26 0.07 0.24 -0.51 4.44 4.50 1zoiB1 PRO 125 HB2 -0.04 0.04 -0.19 -0.04 2.28 2.05 1zoiB1 PRO 125 HB3 0.03 0.02 -0.02 -0.04 2.02 2.00 1zoiB1 PRO 125 HG2 -0.36 0.09 -0.20 -0.04 2.03 1.51 1zoiB1 PRO 125 HG3 -1.05 0.03 -0.07 -0.04 2.03 0.89 1zoiB1 PRO 125 HD2 -0.10 0.05 -0.37 -0.04 3.68 3.22 1zoiB1 PRO 125 HD3 -0.24 -0.10 -0.08 -0.04 3.65 3.20 1zoiB1 PRO 126 HA 0.19 -0.07 0.32 -0.51 4.44 4.37 1zoiB1 PRO 126 HB2 0.05 0.10 0.03 -0.04 2.28 2.42 1zoiB1 PRO 126 HB3 0.06 -0.08 -0.01 -0.04 2.02 1.95 1zoiB1 PRO 126 HG2 0.01 0.06 -0.07 -0.04 2.03 1.99 1zoiB1 PRO 126 HG3 0.03 0.01 -0.19 -0.04 2.03 1.83 1zoiB1 PRO 126 HD2 0.02 0.32 0.35 -0.04 3.68 4.33 1zoiB1 PRO 126 HD3 0.00 0.24 0.35 -0.04 3.65 4.20 1zoiB1 LEU 127 H 0.08 0.45 0.06 -0.55 8.37 8.41 1zoiB1 LEU 127 HA 0.08 0.16 0.56 -0.75 4.35 4.39 1zoiB1 LEU 127 HB2 0.01 -0.10 -0.24 -0.04 1.64 1.26 1zoiB1 LEU 127 HB3 0.02 0.03 -0.00 -0.04 1.64 1.64 1zoiB1 LEU 127 HG -0.05 -0.03 -0.29 -0.04 1.64 1.22 1zoiB1 LEU 127 HD13 -0.02 -0.03 -0.12 -0.04 0.93 0.71 1zoiB1 LEU 127 HD23 -0.01 0.06 -0.20 -0.04 0.89 0.69 1zoiB1 MET 128 H 0.04 0.17 0.13 -0.55 8.47 8.26 1zoiB1 MET 128 HA 0.10 0.15 0.61 -0.75 4.52 4.63 1zoiB1 MET 128 HB2 -0.08 0.04 0.32 -0.04 2.15 2.39 1zoiB1 MET 128 HB3 0.23 -0.09 0.07 -0.04 2.03 2.21 1zoiB1 MET 128 HG2 0.14 0.02 0.02 -0.04 2.63 2.76 1zoiB1 MET 128 HG3 0.14 0.13 0.10 -0.04 2.56 2.89 1zoiB1 MET 128 HE3 0.33 0.01 0.08 -0.04 2.10 2.48 1zoiB1 VAL 129 H -0.04 0.32 0.17 -0.55 8.24 8.14 1zoiB1 VAL 129 HA 0.28 0.19 0.64 -0.75 4.13 4.49 1zoiB1 VAL 129 HB -0.10 0.01 0.05 -0.04 2.12 2.04 1zoiB1 VAL 129 HG13 -0.04 -0.01 -0.13 -0.04 0.97 0.75 1zoiB1 VAL 129 HG23 0.14 0.02 0.04 -0.04 0.95 1.10 1zoiB1 GLN 130 H 0.09 0.42 0.09 -0.55 8.47 8.53 1zoiB1 GLN 130 HA 0.03 0.26 0.59 -0.75 4.36 4.49 1zoiB1 GLN 130 HB2 0.04 0.11 -0.55 -0.04 2.15 1.71 1zoiB1 GLN 130 HB3 0.02 -0.21 -0.07 -0.04 2.02 1.73 1zoiB1 GLN 130 HG2 0.01 -0.08 -0.15 -0.04 2.40 2.14 1zoiB1 GLN 130 HG3 0.01 0.10 0.02 -0.04 2.39 2.48 1zoiB1 GLN 130 HE21 0.00 -0.11 0.02 -0.04 6.97 6.84 1zoiB1 GLN 130 HE22 0.00 0.05 0.09 -0.04 7.69 7.79 1zoiB1 THR 131 H 0.01 0.55 0.18 -0.55 8.28 8.46 1zoiB1 THR 131 HA -0.00 0.17 0.62 -0.75 4.39 4.42 1zoiB1 THR 131 HB -0.01 0.01 0.12 -0.04 4.32 4.40 1zoiB1 THR 131 HG23 -0.01 0.06 -0.35 -0.04 1.22 0.87 1zoiB1 PRO 132 HA -0.00 0.12 0.40 -0.51 4.44 4.45 1zoiB1 PRO 132 HB2 -0.01 0.06 0.02 -0.04 2.28 2.31 1zoiB1 PRO 132 HB3 -0.01 0.03 0.10 -0.04 2.02 2.10 1zoiB1 PRO 132 HG2 -0.01 0.02 0.04 -0.04 2.03 2.04 1zoiB1 PRO 132 HG3 -0.01 0.06 0.06 -0.04 2.03 2.10 1zoiB1 PRO 132 HD2 -0.01 0.10 0.21 -0.04 3.68 3.94 1zoiB1 PRO 132 HD3 -0.01 0.15 0.14 -0.04 3.65 3.89 1zoiB1 GLY 133 H -0.01 0.02 -0.39 -0.55 8.43 7.50 1zoiB1 GLY 133 HA2 -0.01 0.19 0.67 -0.51 4.01 4.35 1zoiB1 GLY 133 HA3 -0.01 -0.01 0.23 -0.51 4.01 3.71 1zoiB1 ASN 134 H -0.00 0.08 -0.39 -0.55 8.53 7.67 1zoiB1 ASN 134 HA 0.00 0.22 0.82 -0.75 4.76 5.05 1zoiB1 ASN 134 HB2 0.00 0.00 -0.10 -0.04 2.88 2.74 1zoiB1 ASN 134 HB3 0.01 -0.02 0.16 -0.04 2.79 2.89 1zoiB1 ASN 134 HD21 0.04 0.08 -0.11 -0.04 7.03 7.00 1zoiB1 ASN 134 HD22 0.03 0.47 -0.04 -0.04 7.74 8.16 1zoiB1 PRO 135 HA 0.00 0.08 0.48 -0.51 4.44 4.50 1zoiB1 PRO 135 HB2 0.00 0.01 -0.00 -0.04 2.28 2.25 1zoiB1 PRO 135 HB3 -0.00 0.04 0.06 -0.04 2.02 2.08 1zoiB1 PRO 135 HG2 -0.00 -0.00 0.01 -0.04 2.03 2.00 1zoiB1 PRO 135 HG3 -0.00 0.05 0.01 -0.04 2.03 2.05 1zoiB1 PRO 135 HD2 -0.00 0.16 0.03 -0.04 3.68 3.83 1zoiB1 PRO 135 HD3 -0.00 0.20 -0.26 -0.04 3.65 3.55 1zoiB1 GLY 136 H 0.01 0.09 -0.26 -0.55 8.43 7.72 1zoiB1 GLY 136 HA2 0.01 0.10 0.50 -0.51 4.01 4.11 1zoiB1 GLY 136 HA3 0.01 -0.03 0.25 -0.51 4.01 3.73 1zoiB1 GLY 137 H 0.02 0.19 -0.47 -0.55 8.43 7.62 1zoiB1 GLY 137 HA2 0.06 0.09 0.39 -0.51 4.01 4.03 1zoiB1 GLY 137 HA3 0.06 0.14 -0.14 -0.51 4.01 3.56 1zoiB1 LEU 138 H 0.15 0.60 0.31 -0.55 8.37 8.89 1zoiB1 LEU 138 HA 0.01 0.16 0.68 -0.75 4.35 4.44 1zoiB1 LEU 138 HB2 0.17 0.01 0.11 -0.04 1.64 1.89 1zoiB1 LEU 138 HB3 -0.16 -0.03 0.06 -0.04 1.64 1.47 1zoiB1 LEU 138 HG 0.08 0.04 0.04 -0.04 1.64 1.76 1zoiB1 LEU 138 HD13 0.06 -0.01 0.01 -0.04 0.93 0.94 1zoiB1 LEU 138 HD23 -0.02 -0.00 0.03 -0.04 0.89 0.85 1zoiB1 PRO 139 HA 0.01 0.10 0.54 -0.51 4.44 4.57 1zoiB1 PRO 139 HB2 -0.06 -0.13 0.08 -0.04 2.28 2.13 1zoiB1 PRO 139 HB3 -0.03 0.13 0.15 -0.04 2.02 2.24 1zoiB1 PRO 139 HG2 -0.14 -0.13 0.13 -0.04 2.03 1.85 1zoiB1 PRO 139 HG3 -0.07 0.10 0.11 -0.04 2.03 2.13 1zoiB1 PRO 139 HD2 -0.08 0.09 0.26 -0.04 3.68 3.92 1zoiB1 PRO 139 HD3 -0.03 0.26 0.23 -0.04 3.65 4.07 1zoiB1 LYS 140 H 0.02 0.23 0.24 -0.55 8.42 8.36 1zoiB1 LYS 140 HA 0.25 0.11 0.41 -0.75 4.32 4.33 1zoiB1 LYS 140 HB2 0.04 0.12 0.18 -0.04 1.87 2.18 1zoiB1 LYS 140 HB3 0.01 -0.00 0.13 -0.04 1.79 1.89 1zoiB1 LYS 140 HG2 0.01 -0.05 -0.12 -0.04 1.46 1.26 1zoiB1 LYS 140 HG3 0.06 -0.01 0.08 -0.04 1.46 1.55 1zoiB1 LYS 140 HD2 -0.00 0.06 0.03 -0.04 1.69 1.74 1zoiB1 LYS 140 HD3 -0.00 0.01 0.01 -0.04 1.68 1.66 1zoiB1 LYS 140 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.90 1zoiB1 LYS 140 HE3 -0.02 0.03 0.00 -0.04 2.99 2.97 1zoiB1 SER 141 H -0.06 0.11 -0.27 -0.55 8.46 7.70 1zoiB1 SER 141 HA -0.08 0.05 0.35 -0.75 4.49 4.06 1zoiB1 SER 141 HB2 -0.08 0.04 0.03 -0.04 3.95 3.90 1zoiB1 SER 141 HB3 -0.06 0.02 0.08 -0.04 3.93 3.93 1zoiB1 VAL 142 H -0.30 0.41 -0.31 -0.55 8.24 7.49 1zoiB1 VAL 142 HA -0.45 0.06 0.41 -0.75 4.13 3.39 1zoiB1 VAL 142 HB -0.41 0.00 0.10 -0.04 2.12 1.77 1zoiB1 VAL 142 HG13 -1.21 0.23 0.03 -0.04 0.97 -0.01 1zoiB1 VAL 142 HG23 -0.76 0.00 -0.07 -0.04 0.95 0.09 1zoiB1 PHE 143 H -0.53 0.29 -0.13 -0.55 8.34 7.42 1zoiB1 PHE 143 HA -0.37 0.05 0.49 -0.75 4.62 4.04 1zoiB1 PHE 143 HB2 -0.16 0.10 0.10 -0.04 3.15 3.15 1zoiB1 PHE 143 HB3 -0.18 -0.03 0.01 -0.04 3.06 2.82 1zoiB1 PHE 143 HD2 0.07 -0.03 -0.00 -0.04 7.28 7.28 1zoiB1 PHE 143 HE2 0.16 0.08 -0.09 -0.04 7.38 7.49 1zoiB1 PHE 143 HZ 0.09 0.07 -0.07 -0.04 7.32 7.37 1zoiB1 ASP 144 H -0.10 0.51 -0.11 -0.55 8.40 8.15 1zoiB1 ASP 144 HA -0.06 0.02 0.42 -0.75 4.63 4.26 1zoiB1 ASP 144 HB2 -0.08 0.12 0.12 -0.04 2.71 2.83 1zoiB1 ASP 144 HB3 -0.03 -0.02 0.02 -0.04 2.70 2.62 1zoiB1 GLY 145 H -0.24 0.49 -0.35 -0.55 8.43 7.79 1zoiB1 GLY 145 HA2 -0.07 -0.00 0.42 -0.51 4.01 3.84 1zoiB1 GLY 145 HA3 -0.18 0.10 0.32 -0.51 4.01 3.74 1zoiB1 PHE 146 H -0.28 0.38 -0.14 -0.55 8.34 7.74 1zoiB1 PHE 146 HA -0.12 0.01 0.43 -0.75 4.62 4.19 1zoiB1 PHE 146 HB2 0.05 0.13 0.18 -0.04 3.15 3.46 1zoiB1 PHE 146 HB3 0.24 -0.04 0.03 -0.04 3.06 3.25 1zoiB1 PHE 146 HD2 0.22 -0.05 -0.00 -0.04 7.28 7.41 1zoiB1 PHE 146 HE2 0.13 0.00 -0.02 -0.04 7.38 7.45 1zoiB1 PHE 146 HZ 0.01 0.03 0.00 -0.04 7.32 7.32 1zoiB1 GLN 147 H 0.04 0.56 -0.13 -0.55 8.47 8.39 1zoiB1 GLN 147 HA 0.03 0.02 0.45 -0.75 4.36 4.11 1zoiB1 GLN 147 HB2 -0.11 0.13 0.20 -0.04 2.15 2.33 1zoiB1 GLN 147 HB3 -0.51 -0.05 0.03 -0.04 2.02 1.45 1zoiB1 GLN 147 HG2 -0.43 0.08 0.14 -0.04 2.40 2.15 1zoiB1 GLN 147 HG3 -0.17 0.14 0.08 -0.04 2.39 2.41 1zoiB1 GLN 147 HE21 -0.35 -0.07 0.00 -0.04 6.97 6.51 1zoiB1 GLN 147 HE22 -0.85 0.34 0.03 -0.04 7.69 7.17 1zoiB1 ALA 148 H 0.02 0.55 -0.20 -0.55 8.40 8.23 1zoiB1 ALA 148 HA 0.12 0.00 0.41 -0.75 4.34 4.13 1zoiB1 ALA 148 HB3 0.01 0.04 0.11 -0.04 1.41 1.53 1zoiB1 GLN 149 H -0.10 0.49 -0.22 -0.55 8.47 8.10 1zoiB1 GLN 149 HA -0.11 -0.02 0.43 -0.75 4.36 3.91 1zoiB1 GLN 149 HB2 -0.98 0.19 0.20 -0.04 2.15 1.52 1zoiB1 GLN 149 HB3 -1.12 -0.08 -0.02 -0.04 2.02 0.76 1zoiB1 GLN 149 HG2 -0.20 0.13 0.05 -0.04 2.40 2.34 1zoiB1 GLN 149 HG3 -0.53 -0.03 0.01 -0.04 2.39 1.80 1zoiB1 GLN 149 HE21 0.01 -0.02 -0.02 -0.04 6.97 6.90 1zoiB1 GLN 149 HE22 -0.04 0.02 -0.06 -0.04 7.69 7.57 1zoiB1 VAL 150 H 0.10 0.57 -0.11 -0.55 8.24 8.25 1zoiB1 VAL 150 HA 0.21 -0.05 0.37 -0.75 4.13 3.91 1zoiB1 VAL 150 HB 0.42 0.12 0.14 -0.04 2.12 2.76 1zoiB1 VAL 150 HG13 0.38 -0.03 -0.06 -0.04 0.97 1.22 1zoiB1 VAL 150 HG23 0.77 0.05 -0.03 -0.04 0.95 1.70 1zoiB1 ALA 151 H 0.20 0.46 -0.29 -0.55 8.40 8.22 1zoiB1 ALA 151 HA 0.06 0.04 0.52 -0.75 4.34 4.21 1zoiB1 ALA 151 HB3 0.09 0.00 0.10 -0.04 1.41 1.56 1zoiB1 SER 152 H 0.05 0.38 -0.08 -0.55 8.46 8.26 1zoiB1 SER 152 HA 0.02 0.24 1.15 -0.75 4.49 5.15 1zoiB1 SER 152 HB2 0.02 -0.05 0.10 -0.04 3.95 3.98 1zoiB1 SER 152 HB3 0.02 -0.02 -0.02 -0.04 3.93 3.87 1zoiB1 ASN 153 H 0.04 0.65 0.04 -0.55 8.53 8.71 1zoiB1 ASN 153 HA 0.05 0.09 0.53 -0.75 4.76 4.67 1zoiB1 ASN 153 HB2 0.08 -0.11 0.20 -0.04 2.88 3.02 1zoiB1 ASN 153 HB3 0.05 0.15 -0.09 -0.04 2.79 2.86 1zoiB1 ASN 153 HD21 0.09 0.01 0.03 -0.04 7.03 7.12 1zoiB1 ASN 153 HD22 0.09 -0.00 0.04 -0.04 7.74 7.83 1zoiB1 ARG 154 H 0.02 0.26 0.01 -0.55 8.46 8.20 1zoiB1 ARG 154 HA 0.01 0.06 0.38 -0.75 4.34 4.04 1zoiB1 ARG 154 HB2 -0.05 0.35 0.22 -0.04 1.90 2.38 1zoiB1 ARG 154 HB3 -0.13 -0.04 0.10 -0.04 1.80 1.69 1zoiB1 ARG 154 HG2 -1.07 -0.03 -0.12 -0.04 1.67 0.41 1zoiB1 ARG 154 HG3 -0.61 -0.06 0.07 -0.04 1.67 1.02 1zoiB1 ARG 154 HD2 0.03 0.01 -0.03 -0.04 3.22 3.20 1zoiB1 ARG 154 HD3 -0.01 0.06 0.09 -0.04 3.22 3.32 1zoiB1 ALA 155 H 0.04 0.12 -0.10 -0.55 8.40 7.92 1zoiB1 ALA 155 HA 0.19 0.13 0.36 -0.75 4.34 4.27 1zoiB1 ALA 155 HB3 0.22 0.02 0.04 -0.04 1.41 1.65 1zoiB1 GLN 156 H 0.17 0.13 -0.25 -0.55 8.47 7.98 1zoiB1 GLN 156 HA 0.19 0.15 0.64 -0.75 4.36 4.58 1zoiB1 GLN 156 HB2 0.12 0.00 0.06 -0.04 2.15 2.29 1zoiB1 GLN 156 HB3 0.15 0.08 0.08 -0.04 2.02 2.29 1zoiB1 GLN 156 HG2 0.09 0.03 -0.01 -0.04 2.40 2.47 1zoiB1 GLN 156 HG3 0.13 -0.03 -0.13 -0.04 2.39 2.32 1zoiB1 GLN 156 HE21 0.01 0.03 0.00 -0.04 6.97 6.97 1zoiB1 GLN 156 HE22 0.06 -0.05 0.02 -0.04 7.69 7.68 1zoiB1 PHE 157 H 0.32 0.57 -0.00 -0.55 8.34 8.67 1zoiB1 PHE 157 HA 0.16 -0.01 0.45 -0.75 4.62 4.46 1zoiB1 PHE 157 HB2 0.15 0.09 0.09 -0.04 3.15 3.44 1zoiB1 PHE 157 HB3 0.13 0.10 0.09 -0.04 3.06 3.34 1zoiB1 PHE 157 HD2 0.31 0.01 -0.04 -0.04 7.28 7.52 1zoiB1 PHE 157 HE2 0.44 0.01 -0.02 -0.04 7.38 7.77 1zoiB1 PHE 157 HZ -0.00 -0.01 0.01 -0.04 7.32 7.27 1zoiB1 TYR 158 H 0.39 0.59 -0.30 -0.55 8.29 8.42 1zoiB1 TYR 158 HA 0.12 0.02 0.44 -0.75 4.56 4.38 1zoiB1 TYR 158 HB2 0.25 0.14 0.07 -0.04 3.06 3.48 1zoiB1 TYR 158 HB3 0.34 -0.06 0.15 -0.04 2.98 3.37 1zoiB1 TYR 158 HD2 -0.08 -0.06 -0.22 -0.04 7.15 6.76 1zoiB1 TYR 158 HE2 0.16 0.09 -0.10 -0.04 6.85 6.96 1zoiB1 ARG 159 H 0.26 0.33 -0.75 -0.55 8.46 7.75 1zoiB1 ARG 159 HA 0.09 0.09 0.73 -0.75 4.34 4.49 1zoiB1 ARG 159 HB2 0.12 0.15 0.22 -0.04 1.90 2.35 1zoiB1 ARG 159 HB3 0.00 -0.04 0.00 -0.04 1.80 1.72 1zoiB1 ARG 159 HG2 -0.35 0.02 -0.02 -0.04 1.67 1.28 1zoiB1 ARG 159 HG3 -0.24 -0.00 0.02 -0.04 1.67 1.41 1zoiB1 ARG 159 HD2 -0.11 -0.00 -0.03 -0.04 3.22 3.03 1zoiB1 ARG 159 HD3 -0.11 -0.05 0.01 -0.04 3.22 3.03 1zoiB1 ASP 160 H 0.08 0.51 0.15 -0.55 8.40 8.59 1zoiB1 ASP 160 HA -0.01 0.02 0.32 -0.75 4.63 4.21 1zoiB1 ASP 160 HB2 0.13 0.07 0.21 -0.04 2.71 3.09 1zoiB1 ASP 160 HB3 0.09 -0.03 0.03 -0.04 2.70 2.75 1zoiB1 VAL 161 H -0.33 0.55 -0.08 -0.55 8.24 7.82 1zoiB1 VAL 161 HA -0.25 0.02 0.44 -0.75 4.13 3.58 1zoiB1 VAL 161 HB -1.00 0.10 0.07 -0.04 2.12 1.25 1zoiB1 VAL 161 HG13 -0.28 -0.03 -0.11 -0.04 0.97 0.51 1zoiB1 VAL 161 HG23 -0.61 0.05 0.04 -0.04 0.95 0.39 1zoiB1 PRO 162 HA -0.64 -0.09 0.47 -0.51 4.44 3.67 1zoiB1 PRO 162 HB2 -0.21 -0.04 0.04 -0.04 2.28 2.03 1zoiB1 PRO 162 HB3 -1.69 -0.03 0.08 -0.04 2.02 0.34 1zoiB1 PRO 162 HG2 -0.23 0.12 0.06 -0.04 2.03 1.94 1zoiB1 PRO 162 HG3 -0.27 0.16 0.12 -0.04 2.03 2.00 1zoiB1 PRO 162 HD2 -0.56 -0.03 -0.64 -0.04 3.68 2.42 1zoiB1 PRO 162 HD3 -2.29 0.08 -0.03 -0.04 3.65 1.37 1zoiB1 ALA 163 H -0.17 0.55 -0.37 -0.55 8.40 7.87 1zoiB1 ALA 163 HA 0.15 -0.01 0.52 -0.75 4.34 4.25 1zoiB1 ALA 163 HB3 -0.01 -0.01 0.01 -0.04 1.41 1.37 1zoiB1 GLY 164 H -0.09 0.30 -0.40 -0.55 8.43 7.70 1zoiB1 GLY 164 HA2 0.04 0.17 0.79 -0.51 4.01 4.50 1zoiB1 GLY 164 HA3 -0.00 0.10 0.37 -0.51 4.01 3.96 1zoiB1 PRO 165 HA -0.02 0.05 0.55 -0.51 4.44 4.51 1zoiB1 PRO 165 HB2 -0.05 0.00 -0.08 -0.04 2.28 2.11 1zoiB1 PRO 165 HB3 -0.01 0.07 0.10 -0.04 2.02 2.15 1zoiB1 PRO 165 HG2 -0.09 -0.03 0.16 -0.04 2.03 2.04 1zoiB1 PRO 165 HG3 -0.02 0.07 0.08 -0.04 2.03 2.13 1zoiB1 PRO 165 HD2 -0.07 0.28 0.35 -0.04 3.68 4.20 1zoiB1 PRO 165 HD3 -0.00 0.13 0.18 -0.04 3.65 3.92 1zoiB1 PHE 166 H -0.10 0.56 0.00 -0.55 8.34 8.24 1zoiB1 PHE 166 HA -0.21 -0.02 0.33 -0.75 4.62 3.96 1zoiB1 PHE 166 HB2 -0.56 0.07 -0.12 -0.04 3.15 2.50 1zoiB1 PHE 166 HB3 -0.83 0.02 0.02 -0.04 3.06 2.23 1zoiB1 PHE 166 HD2 -0.91 0.02 -0.19 -0.04 7.28 6.16 1zoiB1 PHE 166 HE2 0.11 0.05 -0.03 -0.04 7.38 7.47 1zoiB1 PHE 166 HZ 0.19 -0.03 -0.07 -0.04 7.32 7.37 1zoiB1 TYR 167 H -0.19 0.28 -0.15 -0.55 8.29 7.68 1zoiB1 TYR 167 HA -0.14 0.03 0.82 -0.75 4.56 4.52 1zoiB1 TYR 167 HB2 -1.38 0.11 0.04 -0.04 3.06 1.79 1zoiB1 TYR 167 HB3 -0.83 0.04 0.12 -0.04 2.98 2.26 1zoiB1 TYR 167 HD2 -0.22 0.14 0.02 -0.04 7.15 7.05 1zoiB1 TYR 167 HE2 -0.04 0.03 -0.01 -0.04 6.85 6.80 1zoiB1 GLY 168 H -0.07 0.24 -0.35 -0.55 8.43 7.71 1zoiB1 GLY 168 HA2 0.02 0.05 0.35 -0.51 4.01 3.92 1zoiB1 GLY 168 HA3 0.03 0.14 0.50 -0.51 4.01 4.17 1zoiB1 TYR 169 H -0.00 -0.00 -0.36 -0.55 8.29 7.38 1zoiB1 TYR 169 HA 0.02 0.08 0.25 -0.75 4.56 4.16 1zoiB1 TYR 169 HB2 0.03 0.14 -0.12 -0.04 3.06 3.07 1zoiB1 TYR 169 HB3 0.00 0.01 0.05 -0.04 2.98 3.00 1zoiB1 TYR 169 HD2 0.02 0.13 -0.10 -0.04 7.15 7.16 1zoiB1 TYR 169 HE2 -0.09 0.03 0.01 -0.04 6.85 6.75 1zoiB1 ASN 170 H 0.09 0.13 -0.46 -0.55 8.53 7.75 1zoiB1 ASN 170 HA 0.06 0.15 0.57 -0.75 4.76 4.79 1zoiB1 ASN 170 HB2 0.04 -0.02 0.04 -0.04 2.88 2.90 1zoiB1 ASN 170 HB3 0.04 -0.07 0.02 -0.04 2.79 2.74 1zoiB1 ASN 170 HD21 0.02 -0.02 -0.13 -0.04 7.03 6.86 1zoiB1 ASN 170 HD22 0.03 -0.01 -0.14 -0.04 7.74 7.57 1zoiB1 ARG 171 H 0.08 0.41 -0.32 -0.55 8.46 8.08 1zoiB1 ARG 171 HA 0.04 0.04 0.48 -0.75 4.34 4.15 1zoiB1 ARG 171 HB2 0.07 0.14 0.17 -0.04 1.90 2.24 1zoiB1 ARG 171 HB3 0.05 0.02 -0.00 -0.04 1.80 1.82 1zoiB1 ARG 171 HG2 0.05 -0.13 0.06 -0.04 1.67 1.60 1zoiB1 ARG 171 HG3 0.05 -0.00 0.08 -0.04 1.67 1.76 1zoiB1 ARG 171 HD2 0.04 0.01 0.03 -0.04 3.22 3.25 1zoiB1 ARG 171 HD3 0.03 0.03 0.02 -0.04 3.22 3.26 1zoiB1 PRO 172 HA 0.02 0.00 0.42 -0.51 4.44 4.37 1zoiB1 PRO 172 HB2 0.01 0.00 0.04 -0.04 2.28 2.29 1zoiB1 PRO 172 HB3 0.02 0.02 0.14 -0.04 2.02 2.16 1zoiB1 PRO 172 HG2 0.02 0.01 0.13 -0.04 2.03 2.15 1zoiB1 PRO 172 HG3 0.02 0.01 0.11 -0.04 2.03 2.13 1zoiB1 PRO 172 HD2 0.03 0.02 0.25 -0.04 3.68 3.93 1zoiB1 PRO 172 HD3 0.02 0.19 0.28 -0.04 3.65 4.10 1zoiB1 GLY 173 H 0.01 0.14 0.16 -0.55 8.43 8.19 1zoiB1 GLY 173 HA2 0.01 -0.05 0.34 -0.51 4.01 3.80 1zoiB1 GLY 173 HA3 0.02 0.18 0.81 -0.51 4.01 4.50 1zoiB1 VAL 174 H 0.03 0.59 -0.10 -0.55 8.24 8.21 1zoiB1 VAL 174 HA 0.02 0.03 0.64 -0.75 4.13 4.07 1zoiB1 VAL 174 HB 0.09 0.13 0.07 -0.04 2.12 2.37 1zoiB1 VAL 174 HG13 0.14 -0.02 -0.23 -0.04 0.97 0.82 1zoiB1 VAL 174 HG23 0.07 0.02 -0.06 -0.04 0.95 0.94 1zoiB1 GLU 175 H -0.03 0.13 0.17 -0.55 8.60 8.33 1zoiB1 GLU 175 HA -0.11 0.07 0.65 -0.75 4.29 4.16 1zoiB1 GLU 175 HB2 -0.06 0.03 0.11 -0.04 2.09 2.13 1zoiB1 GLU 175 HB3 -0.08 -0.03 0.20 -0.04 1.99 2.04 1zoiB1 GLU 175 HG2 -0.08 -0.05 0.01 -0.04 2.34 2.18 1zoiB1 GLU 175 HG3 -0.14 0.14 -0.21 -0.04 2.34 2.09 1zoiB1 ALA 176 H -0.25 0.16 0.20 -0.55 8.40 7.96 1zoiB1 ALA 176 HA -1.58 0.08 0.49 -0.75 4.34 2.58 1zoiB1 ALA 176 HB3 -0.42 0.03 0.07 -0.04 1.41 1.04 1zoiB1 SER 177 H -0.80 0.20 0.15 -0.55 8.46 7.46 1zoiB1 SER 177 HA -0.17 0.22 0.92 -0.75 4.49 4.71 1zoiB1 SER 177 HB2 -0.12 0.19 0.05 -0.04 3.95 4.03 1zoiB1 SER 177 HB3 -0.05 0.03 0.20 -0.04 3.93 4.07 1zoiB1 GLU 178 H -0.10 0.29 0.12 -0.55 8.60 8.36 1zoiB1 GLU 178 HA -0.06 0.11 0.43 -0.75 4.29 4.02 1zoiB1 GLU 178 HB2 -0.07 0.08 0.10 -0.04 2.09 2.16 1zoiB1 GLU 178 HB3 -0.06 0.00 0.10 -0.04 1.99 1.99 1zoiB1 GLU 178 HG2 -0.07 0.06 -0.00 -0.04 2.34 2.29 1zoiB1 GLU 178 HG3 -0.05 -0.01 -0.15 -0.04 2.34 2.09 1zoiB1 GLY 179 H -0.05 0.10 -0.14 -0.55 8.43 7.80 1zoiB1 GLY 179 HA2 -0.01 0.12 0.41 -0.51 4.01 4.03 1zoiB1 GLY 179 HA3 -0.02 0.09 0.26 -0.51 4.01 3.84 1zoiB1 ILE 180 H -0.03 0.08 -0.24 -0.55 8.25 7.51 1zoiB1 ILE 180 HA -0.03 0.08 0.43 -0.75 4.18 3.91 1zoiB1 ILE 180 HB -0.04 0.06 0.14 -0.04 1.89 2.01 1zoiB1 ILE 180 HG12 -0.12 0.03 -0.00 -0.04 1.49 1.35 1zoiB1 ILE 180 HG13 -0.07 -0.10 0.01 -0.04 1.21 1.01 1zoiB1 ILE 180 HG23 -0.60 0.01 -0.11 -0.04 0.93 0.19 1zoiB1 ILE 180 HD13 -0.14 0.02 -0.01 -0.04 0.88 0.71 1zoiB1 ILE 181 H 0.05 0.50 -0.09 -0.55 8.25 8.16 1zoiB1 ILE 181 HA 0.13 0.03 0.40 -0.75 4.18 3.98 1zoiB1 ILE 181 HB 0.02 0.01 0.15 -0.04 1.89 2.03 1zoiB1 ILE 181 HG12 0.18 0.06 -0.30 -0.04 1.49 1.38 1zoiB1 ILE 181 HG13 0.23 0.01 0.03 -0.04 1.21 1.45 1zoiB1 ILE 181 HG23 -0.00 0.00 -0.13 -0.04 0.93 0.76 1zoiB1 ILE 181 HD13 0.02 -0.01 -0.09 -0.04 0.88 0.76 1zoiB1 GLY 182 H 0.04 0.69 -0.09 -0.55 8.43 8.52 1zoiB1 GLY 182 HA2 0.11 0.02 0.38 -0.51 4.01 4.01 1zoiB1 GLY 182 HA3 0.06 0.08 0.32 -0.51 4.01 3.96 1zoiB1 ASN 183 H 0.10 0.51 -0.24 -0.55 8.53 8.36 1zoiB1 ASN 183 HA 0.10 0.02 0.44 -0.75 4.76 4.57 1zoiB1 ASN 183 HB2 0.04 0.14 0.13 -0.04 2.88 3.15 1zoiB1 ASN 183 HB3 0.05 0.04 0.05 -0.04 2.79 2.90 1zoiB1 ASN 183 HD21 -0.02 0.01 -0.07 -0.04 7.03 6.91 1zoiB1 ASN 183 HD22 -0.01 0.00 -0.07 -0.04 7.74 7.63 1zoiB1 TRP 184 H 0.29 0.47 -0.21 -0.55 7.97 7.98 1zoiB1 TRP 184 HA -0.17 -0.05 0.42 -0.75 4.62 4.06 1zoiB1 TRP 184 HB2 -0.02 0.08 0.18 -0.04 3.23 3.43 1zoiB1 TRP 184 HB3 -0.04 0.16 0.23 -0.04 3.23 3.55 1zoiB1 TRP 184 HD1 -0.68 -0.03 -0.01 -0.04 7.22 6.46 1zoiB1 TRP 184 HE1 -2.99 -0.04 -0.05 -0.04 10.20 7.08 1zoiB1 TRP 184 HE3 -0.19 0.18 -0.39 -0.04 7.59 7.15 1zoiB1 TRP 184 HZ2 -0.23 0.02 -0.00 -0.04 7.44 7.19 1zoiB1 TRP 184 HZ3 -0.72 -0.04 0.04 -0.04 7.13 6.37 1zoiB1 TRP 184 HH2 -0.61 -0.01 -0.04 -0.04 7.19 6.49 1zoiB1 TRP 185 H 0.55 0.57 0.02 -0.55 7.97 8.57 1zoiB1 TRP 185 HA 0.35 0.06 0.43 -0.75 4.62 4.70 1zoiB1 TRP 185 HB2 0.16 0.13 0.13 -0.04 3.23 3.61 1zoiB1 TRP 185 HB3 0.11 0.06 0.18 -0.04 3.23 3.53 1zoiB1 TRP 185 HD1 0.21 -0.09 -0.41 -0.04 7.22 6.89 1zoiB1 TRP 185 HE1 0.09 0.14 0.08 -0.04 10.20 10.47 1zoiB1 TRP 185 HE3 0.05 0.12 -0.05 -0.04 7.59 7.67 1zoiB1 TRP 185 HZ2 0.04 -0.04 -0.02 -0.04 7.44 7.38 1zoiB1 TRP 185 HZ3 0.02 -0.02 -0.03 -0.04 7.13 7.06 1zoiB1 TRP 185 HH2 0.02 -0.01 -0.03 -0.04 7.19 7.13 1zoiB1 ARG 186 H 0.36 0.59 -0.19 -0.55 8.46 8.66 1zoiB1 ARG 186 HA -0.29 0.00 0.38 -0.75 4.34 3.68 1zoiB1 ARG 186 HB2 0.28 0.06 0.11 -0.04 1.90 2.31 1zoiB1 ARG 186 HB3 0.07 0.06 0.16 -0.04 1.80 2.05 1zoiB1 ARG 186 HG2 -0.05 -0.02 -0.27 -0.04 1.67 1.29 1zoiB1 ARG 186 HG3 0.03 -0.02 -0.00 -0.04 1.67 1.64 1zoiB1 ARG 186 HD2 0.02 -0.01 -0.05 -0.04 3.22 3.14 1zoiB1 ARG 186 HD3 0.09 -0.01 -0.03 -0.04 3.22 3.23 1zoiB1 GLN 187 H -0.14 0.55 -0.11 -0.55 8.47 8.21 1zoiB1 GLN 187 HA -0.21 -0.03 0.40 -0.75 4.36 3.76 1zoiB1 GLN 187 HB2 -0.44 0.18 0.14 -0.04 2.15 1.99 1zoiB1 GLN 187 HB3 -0.37 -0.16 -0.06 -0.04 2.02 1.38 1zoiB1 GLN 187 HG2 -0.19 -0.12 -0.02 -0.04 2.40 2.04 1zoiB1 GLN 187 HG3 -0.15 0.23 0.09 -0.04 2.39 2.52 1zoiB1 GLN 187 HE21 -0.20 -0.09 -0.16 -0.04 6.97 6.48 1zoiB1 GLN 187 HE22 -0.14 0.28 -0.27 -0.04 7.69 7.51 1zoiB1 GLY 188 H -0.42 0.43 -0.26 -0.55 8.43 7.63 1zoiB1 GLY 188 HA2 -0.50 0.30 0.58 -0.51 4.01 3.87 1zoiB1 GLY 188 HA3 -0.61 -0.03 0.34 -0.51 4.01 3.21 1zoiB1 MET 189 H -0.41 0.57 0.00 -0.55 8.47 8.09 1zoiB1 MET 189 HA -0.17 0.02 0.38 -0.75 4.52 4.00 1zoiB1 MET 189 HB2 -0.74 0.05 0.11 -0.04 2.15 1.53 1zoiB1 MET 189 HB3 -0.44 -0.07 0.07 -0.04 2.03 1.55 1zoiB1 MET 189 HG2 -1.51 0.29 0.06 -0.04 2.63 1.43 1zoiB1 MET 189 HG3 -1.49 -0.09 -0.00 -0.04 2.56 0.94 1zoiB1 MET 189 HE3 -0.12 -0.03 -0.01 -0.04 2.10 1.90 1zoiB1 ILE 190 H -0.21 0.35 -0.24 -0.55 8.25 7.59 1zoiB1 ILE 190 HA -0.12 0.04 0.58 -0.75 4.18 3.92 1zoiB1 ILE 190 HB -0.10 0.01 0.10 -0.04 1.89 1.86 1zoiB1 ILE 190 HG12 -0.17 0.16 0.16 -0.04 1.49 1.60 1zoiB1 ILE 190 HG13 -0.13 0.01 -0.08 -0.04 1.21 0.98 1zoiB1 ILE 190 HG23 -0.12 0.01 0.01 -0.04 0.93 0.78 1zoiB1 ILE 190 HD13 -0.14 -0.06 -0.07 -0.04 0.88 0.56 1zoiB1 GLY 191 H -0.10 0.30 -0.35 -0.55 8.43 7.73 1zoiB1 GLY 191 HA2 -0.13 0.09 0.48 -0.51 4.01 3.94 1zoiB1 GLY 191 HA3 -0.21 -0.01 0.41 -0.51 4.01 3.69 1zoiB1 SER 192 H -0.34 0.73 0.30 -0.55 8.46 8.60 1zoiB1 SER 192 HA -0.16 0.13 0.65 -0.75 4.49 4.35 1zoiB1 SER 192 HB2 -0.05 0.07 0.17 -0.04 3.95 4.09 1zoiB1 SER 192 HB3 -0.16 0.16 0.32 -0.04 3.93 4.21 1zoiB1 ALA 193 H -0.10 0.23 0.24 -0.55 8.40 8.22 1zoiB1 ALA 193 HA -0.00 0.12 0.43 -0.75 4.34 4.13 1zoiB1 ALA 193 HB3 -0.00 0.04 0.14 -0.04 1.41 1.55 1zoiB1 LYS 194 H -0.02 0.10 -0.13 -0.55 8.42 7.81 1zoiB1 LYS 194 HA 0.09 0.09 0.47 -0.75 4.32 4.21 1zoiB1 LYS 194 HB2 0.06 -0.01 0.13 -0.04 1.87 2.01 1zoiB1 LYS 194 HB3 0.10 0.09 0.02 -0.04 1.79 1.95 1zoiB1 LYS 194 HG2 0.08 -0.00 0.06 -0.04 1.46 1.56 1zoiB1 LYS 194 HG3 0.26 0.03 0.06 -0.04 1.46 1.77 1zoiB1 LYS 194 HD2 0.20 0.06 -0.05 -0.04 1.69 1.86 1zoiB1 LYS 194 HD3 0.16 -0.09 0.13 -0.04 1.68 1.84 1zoiB1 LYS 194 HE2 0.18 -0.01 0.04 -0.04 2.99 3.15 1zoiB1 LYS 194 HE3 0.47 0.08 0.06 -0.04 2.99 3.55 1zoiB1 ALA 195 H -0.15 0.09 -0.19 -0.55 8.40 7.61 1zoiB1 ALA 195 HA -1.03 0.02 0.33 -0.75 4.34 2.90 1zoiB1 ALA 195 HB3 -0.24 0.10 0.09 -0.04 1.41 1.32 1zoiB1 HIS 196 H -0.10 0.58 -0.24 -0.55 8.41 8.11 1zoiB1 HIS 196 HA 0.43 -0.01 0.43 -0.75 4.63 4.73 1zoiB1 HIS 196 HB2 0.21 0.10 0.11 -0.04 3.26 3.64 1zoiB1 HIS 196 HB3 0.39 -0.08 0.00 -0.04 3.20 3.47 1zoiB1 HIS 196 HD2 -0.77 -0.10 -0.16 -0.04 6.97 5.88 1zoiB1 HIS 196 HE1 -0.25 0.44 0.23 -0.04 7.75 8.12 1zoiB1 TYR 197 H 0.38 0.53 -0.17 -0.55 8.29 8.48 1zoiB1 TYR 197 HA 0.29 -0.01 0.43 -0.75 4.56 4.52 1zoiB1 TYR 197 HB2 0.15 0.12 0.15 -0.04 3.06 3.44 1zoiB1 TYR 197 HB3 0.12 0.06 0.26 -0.04 2.98 3.37 1zoiB1 TYR 197 HD2 0.11 0.04 -0.06 -0.04 7.15 7.20 1zoiB1 TYR 197 HE2 0.06 0.01 -0.09 -0.04 6.85 6.79 1zoiB1 ASP 198 H 0.28 0.68 -0.01 -0.55 8.40 8.80 1zoiB1 ASP 198 HA 0.10 0.00 0.48 -0.75 4.63 4.46 1zoiB1 ASP 198 HB2 0.15 0.11 0.12 -0.04 2.71 3.05 1zoiB1 ASP 198 HB3 0.17 0.01 0.07 -0.04 2.70 2.90 1zoiB1 GLY 199 H 0.31 0.54 -0.34 -0.55 8.43 8.39 1zoiB1 GLY 199 HA2 0.42 -0.06 0.29 -0.51 4.01 4.15 1zoiB1 GLY 199 HA3 0.60 0.12 0.29 -0.51 4.01 4.50 1zoiB1 ILE 200 H -0.04 0.47 -0.49 -0.55 8.25 7.64 1zoiB1 ILE 200 HA -1.56 -0.00 0.48 -0.75 4.18 2.35 1zoiB1 ILE 200 HB -0.29 0.20 0.15 -0.04 1.89 1.91 1zoiB1 ILE 200 HG12 -0.77 -0.08 0.01 -0.04 1.49 0.61 1zoiB1 ILE 200 HG13 -0.34 0.16 0.03 -0.04 1.21 1.02 1zoiB1 ILE 200 HG23 -0.33 -0.00 -0.08 -0.04 0.93 0.47 1zoiB1 ILE 200 HD13 0.17 -0.01 -0.11 -0.04 0.88 0.89 1zoiB1 VAL 201 H -0.23 0.39 -0.06 -0.55 8.24 7.79 1zoiB1 VAL 201 HA -0.31 0.00 0.41 -0.75 4.13 3.48 1zoiB1 VAL 201 HB -0.09 0.20 0.19 -0.04 2.12 2.38 1zoiB1 VAL 201 HG13 -0.10 -0.02 -0.08 -0.04 0.97 0.73 1zoiB1 VAL 201 HG23 -0.14 0.00 0.06 -0.04 0.95 0.84 1zoiB1 ALA 202 H -0.06 0.43 -0.20 -0.55 8.40 8.02 1zoiB1 ALA 202 HA -0.03 -0.04 0.35 -0.75 4.34 3.87 1zoiB1 ALA 202 HB3 0.20 0.06 -0.02 -0.04 1.41 1.62 1zoiB1 PHE 203 H -0.13 0.50 -0.17 -0.55 8.34 7.99 1zoiB1 PHE 203 HA 0.16 0.11 0.69 -0.75 4.62 4.83 1zoiB1 PHE 203 HB2 0.06 -0.11 0.13 -0.04 3.15 3.19 1zoiB1 PHE 203 HB3 0.10 -0.02 0.11 -0.04 3.06 3.21 1zoiB1 PHE 203 HD2 -0.17 0.02 -0.32 -0.04 7.28 6.78 1zoiB1 PHE 203 HE2 -0.99 0.00 -0.04 -0.04 7.38 6.31 1zoiB1 PHE 203 HZ -0.37 -0.01 0.01 -0.04 7.32 6.90 1zoiB1 SER 204 H -0.63 0.52 -0.04 -0.55 8.46 7.76 1zoiB1 SER 204 HA -0.13 0.16 0.86 -0.75 4.49 4.62 1zoiB1 SER 204 HB2 -2.13 -0.06 0.08 -0.04 3.95 1.80 1zoiB1 SER 204 HB3 -1.07 -0.02 0.08 -0.04 3.93 2.88 1zoiB1 GLN 205 H -0.24 0.53 -0.03 -0.55 8.47 8.17 1zoiB1 GLN 205 HA -0.15 0.15 0.97 -0.75 4.36 4.57 1zoiB1 GLN 205 HB2 -0.18 0.13 0.14 -0.04 2.15 2.20 1zoiB1 GLN 205 HB3 -0.12 -0.04 0.18 -0.04 2.02 2.00 1zoiB1 GLN 205 HG2 -0.12 0.01 -0.03 -0.04 2.40 2.22 1zoiB1 GLN 205 HG3 -0.33 -0.07 -0.49 -0.04 2.39 1.46 1zoiB1 GLN 205 HE21 -0.12 -0.02 -0.06 -0.04 6.97 6.73 1zoiB1 GLN 205 HE22 -0.33 -0.00 -0.08 -0.04 7.69 7.23 1zoiB1 THR 206 H -0.13 0.21 -0.19 -0.55 8.28 7.63 1zoiB1 THR 206 HA -0.24 0.10 0.85 -0.75 4.39 4.35 1zoiB1 THR 206 HB -0.39 0.08 0.12 -0.04 4.32 4.09 1zoiB1 THR 206 HG23 -0.66 -0.03 -0.15 -0.04 1.22 0.34 1zoiB1 ASP 207 H -0.25 0.14 0.14 -0.55 8.40 7.88 1zoiB1 ASP 207 HA -0.13 0.31 0.80 -0.75 4.63 4.85 1zoiB1 ASP 207 HB2 -0.10 0.04 0.06 -0.04 2.71 2.67 1zoiB1 ASP 207 HB3 -0.11 -0.03 0.17 -0.04 2.70 2.68 1zoiB1 PHE 208 H 0.10 0.92 0.35 -0.55 8.34 9.16 1zoiB1 PHE 208 HA -0.00 0.13 0.76 -0.75 4.62 4.75 1zoiB1 PHE 208 HB2 0.01 0.02 0.10 -0.04 3.15 3.24 1zoiB1 PHE 208 HB3 0.00 -0.03 0.11 -0.04 3.06 3.10 1zoiB1 PHE 208 HD2 0.02 0.07 -0.07 -0.04 7.28 7.25 1zoiB1 PHE 208 HE2 0.05 0.03 -0.09 -0.04 7.38 7.34 1zoiB1 PHE 208 HZ 0.09 -0.02 -0.06 -0.04 7.32 7.29 1zoiB1 THR 209 H 0.04 0.12 -0.18 -0.55 8.28 7.72 1zoiB1 THR 209 HA 0.05 0.11 0.31 -0.75 4.39 4.10 1zoiB1 THR 209 HB 0.00 -0.06 0.03 -0.04 4.32 4.25 1zoiB1 THR 209 HG23 0.01 0.04 -0.14 -0.04 1.22 1.08 1zoiB1 GLU 210 H 0.01 0.08 -0.22 -0.55 8.60 7.92 1zoiB1 GLU 210 HA 0.00 0.11 0.35 -0.75 4.29 4.00 1zoiB1 GLU 210 HB2 -0.01 -0.03 0.05 -0.04 2.09 2.06 1zoiB1 GLU 210 HB3 -0.01 -0.03 0.01 -0.04 1.99 1.92 1zoiB1 GLU 210 HG2 -0.01 0.04 -0.16 -0.04 2.34 2.17 1zoiB1 GLU 210 HG3 -0.01 0.04 -0.00 -0.04 2.34 2.33 1zoiB1 ASP 211 H 0.05 0.03 -0.28 -0.55 8.40 7.65 1zoiB1 ASP 211 HA 0.02 0.07 0.29 -0.75 4.63 4.25 1zoiB1 ASP 211 HB2 0.15 0.07 0.02 -0.04 2.71 2.90 1zoiB1 ASP 211 HB3 0.06 0.13 -0.14 -0.04 2.70 2.71 1zoiB1 LEU 212 H 0.06 0.46 -0.20 -0.55 8.37 8.15 1zoiB1 LEU 212 HA 0.01 0.01 0.32 -0.75 4.35 3.93 1zoiB1 LEU 212 HB2 0.03 0.09 0.05 -0.04 1.64 1.77 1zoiB1 LEU 212 HB3 0.01 0.05 -0.14 -0.04 1.64 1.51 1zoiB1 LEU 212 HG 0.08 0.11 -0.04 -0.04 1.64 1.74 1zoiB1 LEU 212 HD13 0.04 -0.05 -0.14 -0.04 0.93 0.74 1zoiB1 LEU 212 HD23 -0.01 -0.00 -0.10 -0.04 0.89 0.73 1zoiB1 LYS 213 H 0.01 0.40 -0.15 -0.55 8.42 8.13 1zoiB1 LYS 213 HA 0.00 0.30 0.43 -0.75 4.32 4.29 1zoiB1 LYS 213 HB2 -0.00 0.03 0.11 -0.04 1.87 1.97 1zoiB1 LYS 213 HB3 -0.00 -0.06 0.07 -0.04 1.79 1.75 1zoiB1 LYS 213 HG2 0.00 0.07 0.07 -0.04 1.46 1.56 1zoiB1 LYS 213 HG3 0.01 0.12 0.07 -0.04 1.46 1.61 1zoiB1 LYS 213 HD2 -0.00 -0.08 -0.07 -0.04 1.69 1.50 1zoiB1 LYS 213 HD3 -0.00 -0.01 -0.00 -0.04 1.68 1.62 1zoiB1 LYS 213 HE2 -0.00 0.05 -0.02 -0.04 2.99 2.98 1zoiB1 LYS 213 HE3 0.00 -0.06 -0.08 -0.04 2.99 2.81 1zoiB1 GLY 214 H -0.00 0.28 -0.47 -0.55 8.43 7.69 1zoiB1 GLY 214 HA2 -0.01 0.08 0.61 -0.51 4.01 4.18 1zoiB1 GLY 214 HA3 -0.01 -0.06 0.27 -0.51 4.01 3.69 1zoiB1 ILE 215 H -0.00 0.40 -0.22 -0.55 8.25 7.88 1zoiB1 ILE 215 HA -0.01 0.02 0.63 -0.75 4.18 4.06 1zoiB1 ILE 215 HB -0.00 0.07 0.14 -0.04 1.89 2.06 1zoiB1 ILE 215 HG12 -0.01 0.35 0.05 -0.04 1.49 1.85 1zoiB1 ILE 215 HG13 -0.01 -0.14 -0.08 -0.04 1.21 0.93 1zoiB1 ILE 215 HG23 0.00 -0.00 -0.19 -0.04 0.93 0.70 1zoiB1 ILE 215 HD13 -0.03 -0.01 -0.16 -0.04 0.88 0.64 1zoiB1 GLN 216 H -0.01 0.13 0.18 -0.55 8.47 8.23 1zoiB1 GLN 216 HA 0.01 0.15 0.66 -0.75 4.36 4.43 1zoiB1 GLN 216 HB2 -0.00 -0.01 0.05 -0.04 2.15 2.14 1zoiB1 GLN 216 HB3 0.00 -0.03 0.07 -0.04 2.02 2.01 1zoiB1 GLN 216 HG2 -0.01 0.15 -0.02 -0.04 2.40 2.49 1zoiB1 GLN 216 HG3 -0.01 -0.07 0.01 -0.04 2.39 2.28 1zoiB1 GLN 216 HE21 -0.00 0.02 -0.04 -0.04 6.97 6.91 1zoiB1 GLN 216 HE22 -0.01 0.02 -0.08 -0.04 7.69 7.59 1zoiB1 GLN 217 H 0.01 -0.06 -0.07 -0.55 8.47 7.80 1zoiB1 GLN 217 HA 0.02 0.10 0.44 -0.75 4.36 4.16 1zoiB1 GLN 217 HB2 0.03 -0.15 -0.13 -0.04 2.15 1.85 1zoiB1 GLN 217 HB3 0.03 0.27 0.03 -0.04 2.02 2.31 1zoiB1 GLN 217 HG2 0.01 0.47 -0.00 -0.04 2.40 2.84 1zoiB1 GLN 217 HG3 0.01 -0.10 0.01 -0.04 2.39 2.27 1zoiB1 GLN 217 HE21 -0.02 -0.06 0.04 -0.04 6.97 6.89 1zoiB1 GLN 217 HE22 0.01 0.40 0.02 -0.04 7.69 8.07 1zoiB1 PRO 218 HA 0.11 0.27 0.59 -0.51 4.44 4.90 1zoiB1 PRO 218 HB2 0.08 -0.04 0.13 -0.04 2.28 2.41 1zoiB1 PRO 218 HB3 0.16 0.01 0.12 -0.04 2.02 2.27 1zoiB1 PRO 218 HG2 -0.01 0.02 0.14 -0.04 2.03 2.14 1zoiB1 PRO 218 HG3 0.04 0.02 0.13 -0.04 2.03 2.17 1zoiB1 PRO 218 HD2 0.01 0.31 0.38 -0.04 3.68 4.34 1zoiB1 PRO 218 HD3 0.02 0.07 0.29 -0.04 3.65 3.99 1zoiB1 VAL 219 H 0.12 0.58 0.30 -0.55 8.24 8.68 1zoiB1 VAL 219 HA 0.16 0.28 0.99 -0.75 4.13 4.81 1zoiB1 VAL 219 HB 0.01 -0.02 -0.03 -0.04 2.12 2.04 1zoiB1 VAL 219 HG13 -0.02 -0.05 -0.30 -0.04 0.97 0.55 1zoiB1 VAL 219 HG23 0.04 0.06 -0.37 -0.04 0.95 0.64 1zoiB1 LEU 220 H -0.27 0.52 0.38 -0.55 8.37 8.46 1zoiB1 LEU 220 HA -0.38 0.22 1.03 -0.75 4.35 4.47 1zoiB1 LEU 220 HB2 -2.09 0.08 -0.00 -0.04 1.64 -0.41 1zoiB1 LEU 220 HB3 -0.84 -0.05 0.17 -0.04 1.64 0.88 1zoiB1 LEU 220 HG -0.21 -0.11 -0.40 -0.04 1.64 0.88 1zoiB1 LEU 220 HD13 -0.24 0.04 -0.11 -0.04 0.93 0.57 1zoiB1 LEU 220 HD23 -0.19 -0.01 -0.12 -0.04 0.89 0.52 1zoiB1 VAL 221 H -0.11 0.88 0.38 -0.55 8.24 8.83 1zoiB1 VAL 221 HA -0.01 0.17 1.09 -0.75 4.13 4.62 1zoiB1 VAL 221 HB -0.02 0.00 0.19 -0.04 2.12 2.25 1zoiB1 VAL 221 HG13 0.06 -0.01 -0.07 -0.04 0.97 0.91 1zoiB1 VAL 221 HG23 -0.03 0.00 -0.19 -0.04 0.95 0.70 1zoiB1 MET 222 H 0.05 0.61 0.36 -0.55 8.47 8.94 1zoiB1 MET 222 HA 0.16 0.32 1.03 -0.75 4.52 5.28 1zoiB1 MET 222 HB2 0.12 -0.12 0.14 -0.04 2.15 2.25 1zoiB1 MET 222 HB3 0.31 -0.03 0.02 -0.04 2.03 2.29 1zoiB1 MET 222 HG2 0.17 0.06 -0.12 -0.04 2.63 2.71 1zoiB1 MET 222 HG3 0.05 0.04 -0.20 -0.04 2.56 2.41 1zoiB1 MET 222 HE3 0.18 0.04 -0.15 -0.04 2.10 2.12 1zoiB1 HIS 223 H 0.33 0.61 0.34 -0.55 8.41 9.14 1zoiB1 HIS 223 HA 0.18 -0.03 0.74 -0.75 4.63 4.76 1zoiB1 HIS 223 HB2 0.16 0.03 -0.40 -0.04 3.26 3.01 1zoiB1 HIS 223 HB3 0.44 -0.02 -0.05 -0.04 3.20 3.52 1zoiB1 HIS 223 HD2 0.06 0.04 0.04 -0.04 6.97 7.07 1zoiB1 HIS 223 HE1 0.14 0.38 0.09 -0.04 7.75 8.31 1zoiB1 GLY 224 H 0.15 0.15 0.17 -0.55 8.43 8.36 1zoiB1 GLY 224 HA2 0.15 0.16 0.89 -0.51 4.01 4.70 1zoiB1 GLY 224 HA3 0.17 0.16 0.31 -0.51 4.01 4.14 1zoiB1 ASP 225 H -0.12 0.42 0.23 -0.55 8.40 8.39 1zoiB1 ASP 225 HA -0.52 0.12 0.62 -0.75 4.63 4.09 1zoiB1 ASP 225 HB2 -0.40 0.04 0.17 -0.04 2.71 2.48 1zoiB1 ASP 225 HB3 -0.72 0.03 0.04 -0.04 2.70 2.01 1zoiB1 ASP 226 H 0.04 0.27 -0.45 -0.55 8.40 7.71 1zoiB1 ASP 226 HA 0.02 0.22 0.79 -0.75 4.63 4.91 1zoiB1 ASP 226 HB2 0.02 -0.13 -0.10 -0.04 2.71 2.46 1zoiB1 ASP 226 HB3 0.06 0.15 -0.28 -0.04 2.70 2.59 1zoiB1 ASP 227 H 0.12 0.23 -0.24 -0.55 8.40 7.96 1zoiB1 ASP 227 HA 0.06 -0.08 0.54 -0.75 4.63 4.40 1zoiB1 ASP 227 HB2 0.25 0.11 0.15 -0.04 2.71 3.17 1zoiB1 ASP 227 HB3 0.27 0.13 0.18 -0.04 2.70 3.24 1zoiB1 GLN 228 H -0.02 0.18 0.25 -0.55 8.47 8.33 1zoiB1 GLN 228 HA 0.01 0.17 0.45 -0.75 4.36 4.25 1zoiB1 GLN 228 HB2 -0.04 -0.01 0.07 -0.04 2.15 2.12 1zoiB1 GLN 228 HB3 0.00 0.01 0.14 -0.04 2.02 2.13 1zoiB1 GLN 228 HG2 0.02 0.02 -0.04 -0.04 2.40 2.35 1zoiB1 GLN 228 HG3 0.00 0.13 0.15 -0.04 2.39 2.63 1zoiB1 GLN 228 HE21 0.02 -0.06 -0.01 -0.04 6.97 6.88 1zoiB1 GLN 228 HE22 0.02 0.09 0.08 -0.04 7.69 7.83 1zoiB1 ILE 229 H -0.15 -0.10 -0.33 -0.55 8.25 7.12 1zoiB1 ILE 229 HA -0.12 0.24 0.88 -0.75 4.18 4.43 1zoiB1 ILE 229 HB -1.30 -0.05 0.07 -0.04 1.89 0.57 1zoiB1 ILE 229 HG12 -0.21 0.09 -0.19 -0.04 1.49 1.14 1zoiB1 ILE 229 HG13 -0.32 -0.09 -0.21 -0.04 1.21 0.55 1zoiB1 ILE 229 HG23 -0.43 0.02 -0.08 -0.04 0.93 0.39 1zoiB1 ILE 229 HD13 -0.47 -0.02 -0.02 -0.04 0.88 0.33 1zoiB1 VAL 230 H -0.12 -0.02 -0.10 -0.55 8.24 7.46 1zoiB1 VAL 230 HA 0.07 0.27 0.81 -0.75 4.13 4.53 1zoiB1 VAL 230 HB 0.18 -0.09 0.06 -0.04 2.12 2.23 1zoiB1 VAL 230 HG13 0.19 0.05 -0.34 -0.04 0.97 0.83 1zoiB1 VAL 230 HG23 -0.13 -0.01 -0.18 -0.04 0.95 0.58 1zoiB1 PRO 231 HA 0.10 0.05 0.40 -0.51 4.44 4.47 1zoiB1 PRO 231 HB2 0.05 -0.00 0.06 -0.04 2.28 2.35 1zoiB1 PRO 231 HB3 0.05 0.02 0.04 -0.04 2.02 2.09 1zoiB1 PRO 231 HG2 0.08 0.08 0.03 -0.04 2.03 2.19 1zoiB1 PRO 231 HG3 0.07 0.06 -0.04 -0.04 2.03 2.08 1zoiB1 PRO 231 HD2 0.12 0.14 0.10 -0.04 3.68 4.00 1zoiB1 PRO 231 HD3 0.10 0.26 -0.12 -0.04 3.65 3.86 1zoiB1 TYR 232 H 0.17 0.19 0.22 -0.55 8.29 8.33 1zoiB1 TYR 232 HA -0.65 0.02 0.43 -0.75 4.56 3.61 1zoiB1 TYR 232 HB2 0.01 0.18 0.20 -0.04 3.06 3.40 1zoiB1 TYR 232 HB3 -0.03 -0.01 0.19 -0.04 2.98 3.09 1zoiB1 TYR 232 HD2 -0.05 -0.01 -0.12 -0.04 7.15 6.92 1zoiB1 TYR 232 HE2 -0.01 0.04 -0.10 -0.04 6.85 6.74 1zoiB1 GLU 233 H 0.07 0.12 -0.08 -0.55 8.60 8.17 1zoiB1 GLU 233 HA -0.30 0.05 0.36 -0.75 4.29 3.64 1zoiB1 GLU 233 HB2 0.01 0.01 0.03 -0.04 2.09 2.10 1zoiB1 GLU 233 HB3 -0.03 0.07 -0.02 -0.04 1.99 1.97 1zoiB1 GLU 233 HG2 0.17 -0.06 0.05 -0.04 2.34 2.47 1zoiB1 GLU 233 HG3 0.06 0.05 0.02 -0.04 2.34 2.42 1zoiB1 ASN 234 H -0.06 0.15 -0.42 -0.55 8.53 7.66 1zoiB1 ASN 234 HA -0.05 0.15 0.72 -0.75 4.76 4.83 1zoiB1 ASN 234 HB2 0.00 -0.01 -0.06 -0.04 2.88 2.77 1zoiB1 ASN 234 HB3 0.02 0.04 -0.04 -0.04 2.79 2.77 1zoiB1 ASN 234 HD21 0.00 -0.09 -0.06 -0.04 7.03 6.85 1zoiB1 ASN 234 HD22 -0.01 0.02 0.00 -0.04 7.74 7.71 1zoiB1 SER 235 H -0.19 0.21 -0.39 -0.55 8.46 7.55 1zoiB1 SER 235 HA -0.02 0.28 1.00 -0.75 4.49 4.99 1zoiB1 SER 235 HB2 0.07 0.30 -0.02 -0.04 3.95 4.26 1zoiB1 SER 235 HB3 0.05 -0.02 -0.24 -0.04 3.93 3.68 1zoiB1 GLY 236 H -0.37 0.15 0.09 -0.55 8.43 7.76 1zoiB1 GLY 236 HA2 0.01 0.04 0.27 -0.51 4.01 3.82 1zoiB1 GLY 236 HA3 -0.13 -0.00 0.25 -0.51 4.01 3.62 1zoiB1 VAL 237 H -0.47 0.31 -0.20 -0.55 8.24 7.33 1zoiB1 VAL 237 HA -0.20 0.02 0.31 -0.75 4.13 3.51 1zoiB1 VAL 237 HB -0.28 0.17 0.04 -0.04 2.12 2.01 1zoiB1 VAL 237 HG13 -0.13 -0.00 -0.11 -0.04 0.97 0.69 1zoiB1 VAL 237 HG23 -0.75 -0.00 -0.07 -0.04 0.95 0.09 1zoiB1 LEU 238 H -0.13 0.20 -0.34 -0.55 8.37 7.56 1zoiB1 LEU 238 HA -0.06 0.06 0.43 -0.75 4.35 4.03 1zoiB1 LEU 238 HB2 -0.04 0.16 -0.02 -0.04 1.64 1.70 1zoiB1 LEU 238 HB3 -0.03 -0.05 -0.06 -0.04 1.64 1.46 1zoiB1 LEU 238 HG -0.04 -0.04 -0.02 -0.04 1.64 1.51 1zoiB1 LEU 238 HD13 -0.09 -0.09 -0.05 -0.04 0.93 0.65 1zoiB1 LEU 238 HD23 -0.02 0.03 0.00 -0.04 0.89 0.86 1zoiB1 SER 239 H -0.05 0.67 -0.14 -0.55 8.46 8.39 1zoiB1 SER 239 HA -0.01 -0.02 0.27 -0.75 4.49 3.98 1zoiB1 SER 239 HB2 -0.01 -0.05 -0.17 -0.04 3.95 3.67 1zoiB1 SER 239 HB3 -0.00 0.04 -0.32 -0.04 3.93 3.61 1zoiB1 ALA 240 H -0.04 0.52 -0.25 -0.55 8.40 8.09 1zoiB1 ALA 240 HA -0.03 -0.00 0.23 -0.75 4.34 3.78 1zoiB1 ALA 240 HB3 -0.04 0.00 -0.11 -0.04 1.41 1.23 1zoiB1 LYS 241 H -0.03 0.22 -0.44 -0.55 8.42 7.61 1zoiB1 LYS 241 HA -0.02 0.12 0.46 -0.75 4.32 4.13 1zoiB1 LYS 241 HB2 -0.03 0.07 0.09 -0.04 1.87 1.96 1zoiB1 LYS 241 HB3 -0.02 -0.05 0.00 -0.04 1.79 1.68 1zoiB1 LYS 241 HG2 -0.02 -0.02 -0.01 -0.04 1.46 1.37 1zoiB1 LYS 241 HG3 -0.04 0.12 0.04 -0.04 1.46 1.53 1zoiB1 LYS 241 HD2 -0.02 -0.03 -0.01 -0.04 1.69 1.58 1zoiB1 LYS 241 HD3 -0.03 -0.08 -0.02 -0.04 1.68 1.51 1zoiB1 LYS 241 HE2 -0.06 0.14 -0.17 -0.04 2.99 2.86 1zoiB1 LYS 241 HE3 -0.04 0.02 -0.02 -0.04 2.99 2.91 1zoiB1 LEU 242 H -0.01 0.32 -0.19 -0.55 8.37 7.94 1zoiB1 LEU 242 HA -0.01 0.02 0.45 -0.75 4.35 4.06 1zoiB1 LEU 242 HB2 0.00 0.04 0.05 -0.04 1.64 1.69 1zoiB1 LEU 242 HB3 0.00 -0.06 -0.08 -0.04 1.64 1.47 1zoiB1 LEU 242 HG -0.01 0.15 -0.01 -0.04 1.64 1.73 1zoiB1 LEU 242 HD13 0.01 -0.05 -0.07 -0.04 0.93 0.78 1zoiB1 LEU 242 HD23 -0.00 -0.01 -0.03 -0.04 0.89 0.81 1zoiB1 LEU 243 H -0.01 0.33 -0.27 -0.55 8.37 7.88 1zoiB1 LEU 243 HA 0.00 0.30 0.47 -0.75 4.35 4.36 1zoiB1 LEU 243 HB2 -0.01 0.05 0.12 -0.04 1.64 1.76 1zoiB1 LEU 243 HB3 0.00 -0.03 -0.08 -0.04 1.64 1.49 1zoiB1 LEU 243 HG -0.01 -0.02 -0.04 -0.04 1.64 1.53 1zoiB1 LEU 243 HD13 -0.02 -0.05 -0.20 -0.04 0.93 0.62 1zoiB1 LEU 243 HD23 -0.00 0.07 -0.01 -0.04 0.89 0.90 1zoiB1 PRO 244 HA 0.00 0.03 0.40 -0.51 4.44 4.36 1zoiB1 PRO 244 HB2 0.00 -0.05 0.02 -0.04 2.28 2.22 1zoiB1 PRO 244 HB3 0.00 -0.04 0.14 -0.04 2.02 2.08 1zoiB1 PRO 244 HG2 0.01 0.10 0.16 -0.04 2.03 2.25 1zoiB1 PRO 244 HG3 0.00 -0.01 -0.07 -0.04 2.03 1.91 1zoiB1 PRO 244 HD2 0.00 0.19 0.31 -0.04 3.68 4.14 1zoiB1 PRO 244 HD3 0.00 0.19 0.31 -0.04 3.65 4.10 1zoiB1 ASN 245 H 0.01 0.22 -0.29 -0.55 8.53 7.93 1zoiB1 ASN 245 HA 0.02 0.17 0.89 -0.75 4.76 5.08 1zoiB1 ASN 245 HB2 0.03 0.25 -0.19 -0.04 2.88 2.93 1zoiB1 ASN 245 HB3 0.05 -0.14 0.11 -0.04 2.79 2.76 1zoiB1 ASN 245 HD21 0.02 -0.09 -0.01 -0.04 7.03 6.90 1zoiB1 ASN 245 HD22 0.03 -0.07 0.02 -0.04 7.74 7.67 1zoiB1 GLY 246 H 0.01 0.56 -0.29 -0.55 8.43 8.17 1zoiB1 GLY 246 HA2 0.00 0.22 0.90 -0.51 4.01 4.62 1zoiB1 GLY 246 HA3 -0.01 -0.00 0.34 -0.51 4.01 3.83 1zoiB1 ALA 247 H -0.06 0.38 0.39 -0.55 8.40 8.56 1zoiB1 ALA 247 HA -0.02 0.13 0.78 -0.75 4.34 4.48 1zoiB1 ALA 247 HB3 -0.04 0.01 -0.01 -0.04 1.41 1.34 1zoiB1 LEU 248 H -0.03 0.18 0.16 -0.55 8.37 8.14 1zoiB1 LEU 248 HA -0.03 0.26 1.05 -0.75 4.35 4.87 1zoiB1 LEU 248 HB2 -0.03 0.05 -0.01 -0.04 1.64 1.62 1zoiB1 LEU 248 HB3 -0.02 -0.01 0.09 -0.04 1.64 1.67 1zoiB1 LEU 248 HG 0.04 -0.08 -0.35 -0.04 1.64 1.21 1zoiB1 LEU 248 HD13 0.04 0.08 -0.16 -0.04 0.93 0.85 1zoiB1 LEU 248 HD23 -0.01 -0.01 -0.11 -0.04 0.89 0.72 1zoiB1 LYS 249 H 0.00 0.75 0.32 -0.55 8.42 8.94 1zoiB1 LYS 249 HA -0.12 0.14 0.85 -0.75 4.32 4.43 1zoiB1 LYS 249 HB2 -0.08 0.07 -0.12 -0.04 1.87 1.70 1zoiB1 LYS 249 HB3 -0.01 -0.05 0.11 -0.04 1.79 1.80 1zoiB1 LYS 249 HG2 -0.08 -0.01 -0.09 -0.04 1.46 1.24 1zoiB1 LYS 249 HG3 -0.68 -0.08 -0.25 -0.04 1.46 0.40 1zoiB1 LYS 249 HD2 -0.27 0.01 0.06 -0.04 1.69 1.45 1zoiB1 LYS 249 HD3 -0.13 0.05 -0.01 -0.04 1.68 1.55 1zoiB1 LYS 249 HE2 -0.19 0.01 -0.02 -0.04 2.99 2.76 1zoiB1 LYS 249 HE3 -0.15 -0.02 -0.06 -0.04 2.99 2.73 1zoiB1 THR 250 H -0.13 0.21 0.09 -0.55 8.28 7.89 1zoiB1 THR 250 HA 0.05 0.29 0.91 -0.75 4.39 4.88 1zoiB1 THR 250 HB -0.07 0.01 0.09 -0.04 4.32 4.30 1zoiB1 THR 250 HG23 -0.22 -0.02 -0.15 -0.04 1.22 0.80 1zoiB1 TYR 251 H 0.06 0.56 0.32 -0.55 8.29 8.68 1zoiB1 TYR 251 HA -0.32 0.22 0.94 -0.75 4.56 4.65 1zoiB1 TYR 251 HB2 -0.18 -0.11 0.09 -0.04 3.06 2.82 1zoiB1 TYR 251 HB3 -1.18 0.05 -0.02 -0.04 2.98 1.79 1zoiB1 TYR 251 HD2 -0.31 -0.02 -0.12 -0.04 7.15 6.66 1zoiB1 TYR 251 HE2 -0.03 0.01 -0.11 -0.04 6.85 6.69 1zoiB1 LYS 252 H -0.19 0.25 0.10 -0.55 8.42 8.03 1zoiB1 LYS 252 HA -0.11 -0.05 0.49 -0.75 4.32 3.90 1zoiB1 LYS 252 HB2 -0.08 0.04 0.14 -0.04 1.87 1.93 1zoiB1 LYS 252 HB3 -0.05 0.05 0.01 -0.04 1.79 1.76 1zoiB1 LYS 252 HG2 -0.10 -0.01 0.02 -0.04 1.46 1.32 1zoiB1 LYS 252 HG3 -0.11 0.03 0.04 -0.04 1.46 1.38 1zoiB1 LYS 252 HD2 -0.06 0.03 0.01 -0.04 1.69 1.63 1zoiB1 LYS 252 HD3 -0.05 0.02 0.02 -0.04 1.68 1.63 1zoiB1 LYS 252 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.90 1zoiB1 LYS 252 HE3 -0.04 -0.01 0.00 -0.04 2.99 2.90 1zoiB1 GLY 253 H -0.02 0.09 0.17 -0.55 8.43 8.12 1zoiB1 GLY 253 HA2 0.05 0.04 0.31 -0.51 4.01 3.90 1zoiB1 GLY 253 HA3 0.09 0.13 0.40 -0.51 4.01 4.12 1zoiB1 TYR 254 H 0.18 0.19 -0.51 -0.55 8.29 7.60 1zoiB1 TYR 254 HA -0.04 0.20 0.48 -0.75 4.56 4.45 1zoiB1 TYR 254 HB2 0.01 -0.01 0.09 -0.04 3.06 3.11 1zoiB1 TYR 254 HB3 -0.08 0.05 -0.02 -0.04 2.98 2.88 1zoiB1 TYR 254 HD2 -0.31 -0.02 -0.20 -0.04 7.15 6.57 1zoiB1 TYR 254 HE2 -0.35 0.01 -0.05 -0.04 6.85 6.42 1zoiB1 PRO 255 HA 0.03 0.21 0.46 -0.51 4.44 4.63 1zoiB1 PRO 255 HB2 -0.03 -0.02 -0.07 -0.04 2.28 2.11 1zoiB1 PRO 255 HB3 0.02 0.15 -0.20 -0.04 2.02 1.95 1zoiB1 PRO 255 HG2 0.02 -0.17 -0.24 -0.04 2.03 1.59 1zoiB1 PRO 255 HG3 0.03 0.25 -0.07 -0.04 2.03 2.20 1zoiB1 PRO 255 HD2 -0.12 0.01 0.14 -0.04 3.68 3.67 1zoiB1 PRO 255 HD3 0.04 0.32 0.15 -0.04 3.65 4.11 1zoiB1 HIS 256 H -0.05 0.23 0.24 -0.55 8.41 8.29 1zoiB1 HIS 256 HA -0.16 0.04 0.51 -0.75 4.63 4.27 1zoiB1 HIS 256 HB2 -0.30 -0.20 0.24 -0.04 3.26 2.96 1zoiB1 HIS 256 HB3 -0.78 0.21 0.25 -0.04 3.20 2.84 1zoiB1 HIS 256 HD2 -1.47 0.02 -0.05 -0.04 6.97 5.43 1zoiB1 HIS 256 HE1 -0.28 0.31 0.16 -0.04 7.75 7.89 1zoiB1 GLY 257 H -0.23 0.46 0.02 -0.55 8.43 8.14 1zoiB1 GLY 257 HA2 -0.05 0.14 0.58 -0.51 4.01 4.17 1zoiB1 GLY 257 HA3 0.13 0.02 0.31 -0.51 4.01 3.95 1zoiB1 MET 258 H -0.07 0.44 -0.68 -0.55 8.47 7.61 1zoiB1 MET 258 HA 0.00 -0.01 0.29 -0.75 4.52 4.05 1zoiB1 MET 258 HB2 -0.06 -0.04 -0.06 -0.04 2.15 1.95 1zoiB1 MET 258 HB3 -0.04 0.05 0.03 -0.04 2.03 2.02 1zoiB1 MET 258 HG2 -0.05 0.21 0.01 -0.04 2.63 2.76 1zoiB1 MET 258 HG3 -0.08 -0.01 -0.10 -0.04 2.56 2.32 1zoiB1 MET 258 HE3 -0.00 -0.01 -0.17 -0.04 2.10 1.88 1zoiB1 PRO 259 HA -0.04 0.08 0.29 -0.51 4.44 4.26 1zoiB1 PRO 259 HB2 -0.14 0.04 -0.08 -0.04 2.28 2.05 1zoiB1 PRO 259 HB3 -0.07 0.04 -0.01 -0.04 2.02 1.94 1zoiB1 PRO 259 HG2 -0.42 0.03 -0.10 -0.04 2.03 1.51 1zoiB1 PRO 259 HG3 -0.99 0.05 -0.04 -0.04 2.03 1.01 1zoiB1 PRO 259 HD2 -0.22 -0.02 -0.25 -0.04 3.68 3.15 1zoiB1 PRO 259 HD3 -0.20 0.13 -0.02 -0.04 3.65 3.52 1zoiB1 THR 260 H -0.03 0.42 -0.43 -0.55 8.28 7.70 1zoiB1 THR 260 HA -0.05 0.13 0.77 -0.75 4.39 4.49 1zoiB1 THR 260 HB 0.08 0.11 0.12 -0.04 4.32 4.60 1zoiB1 THR 260 HG23 -0.14 -0.01 -0.08 -0.04 1.22 0.95 1zoiB1 THR 261 H -0.05 0.32 0.07 -0.55 8.28 8.07 1zoiB1 THR 261 HA -0.19 0.15 0.69 -0.75 4.39 4.29 1zoiB1 THR 261 HB -0.31 0.04 0.12 -0.04 4.32 4.13 1zoiB1 THR 261 HG23 -0.15 0.01 0.01 -0.04 1.22 1.04 1zoiB1 HIS 262 H -0.09 0.49 -0.28 -0.55 8.41 7.99 1zoiB1 HIS 262 HA -0.11 0.16 0.70 -0.75 4.63 4.63 1zoiB1 HIS 262 HB2 -0.34 0.08 0.09 -0.04 3.26 3.05 1zoiB1 HIS 262 HB3 -0.10 -0.12 0.17 -0.04 3.20 3.10 1zoiB1 HIS 262 HD2 -0.09 -0.04 0.04 -0.04 6.97 6.83 1zoiB1 HIS 262 HE1 -0.36 0.05 -0.05 -0.04 7.75 7.35 1zoiB1 ALA 263 H -0.06 0.28 -0.30 -0.55 8.40 7.77 1zoiB1 ALA 263 HA -0.03 0.12 0.35 -0.75 4.34 4.02 1zoiB1 ALA 263 HB3 -0.03 0.04 0.04 -0.04 1.41 1.42 1zoiB1 ASP 264 H -0.02 0.13 -0.17 -0.55 8.40 7.79 1zoiB1 ASP 264 HA -0.09 0.10 0.32 -0.75 4.63 4.20 1zoiB1 ASP 264 HB2 0.03 -0.04 0.03 -0.04 2.71 2.69 1zoiB1 ASP 264 HB3 0.03 0.07 -0.06 -0.04 2.70 2.70 1zoiB1 VAL 265 H 0.06 0.10 -0.28 -0.55 8.24 7.58 1zoiB1 VAL 265 HA 0.07 0.10 0.45 -0.75 4.13 3.99 1zoiB1 VAL 265 HB 0.18 0.07 0.08 -0.04 2.12 2.41 1zoiB1 VAL 265 HG13 0.20 0.00 -0.14 -0.04 0.97 0.99 1zoiB1 VAL 265 HG23 0.16 -0.00 -0.00 -0.04 0.95 1.07 1zoiB1 ILE 266 H 0.01 0.55 -0.05 -0.55 8.25 8.21 1zoiB1 ILE 266 HA 0.01 0.03 0.39 -0.75 4.18 3.86 1zoiB1 ILE 266 HB -0.02 0.08 0.03 -0.04 1.89 1.94 1zoiB1 ILE 266 HG12 -0.32 -0.03 -0.11 -0.04 1.49 1.00 1zoiB1 ILE 266 HG13 -0.08 0.11 -0.07 -0.04 1.21 1.13 1zoiB1 ILE 266 HG23 0.06 -0.02 -0.19 -0.04 0.93 0.75 1zoiB1 ILE 266 HD13 -0.09 -0.01 -0.53 -0.04 0.88 0.21 1zoiB1 ASN 267 H -0.15 0.85 -0.08 -0.55 8.53 8.61 1zoiB1 ASN 267 HA -0.08 -0.00 0.37 -0.75 4.76 4.29 1zoiB1 ASN 267 HB2 -0.79 0.09 0.06 -0.04 2.88 2.20 1zoiB1 ASN 267 HB3 -2.58 -0.00 -0.07 -0.04 2.79 0.09 1zoiB1 ASN 267 HD21 -0.09 -0.07 -0.22 -0.04 7.03 6.62 1zoiB1 ASN 267 HD22 -0.40 -0.02 -0.18 -0.04 7.74 7.10 1zoiB1 ALA 268 H -0.14 0.44 -0.26 -0.55 8.40 7.89 1zoiB1 ALA 268 HA 0.03 0.05 0.41 -0.75 4.34 4.08 1zoiB1 ALA 268 HB3 0.04 0.03 0.11 -0.04 1.41 1.54 1zoiB1 ASP 269 H 0.08 0.47 -0.15 -0.55 8.40 8.25 1zoiB1 ASP 269 HA 0.12 0.05 0.44 -0.75 4.63 4.49 1zoiB1 ASP 269 HB2 0.19 0.05 0.09 -0.04 2.71 3.00 1zoiB1 ASP 269 HB3 0.16 -0.02 -0.04 -0.04 2.70 2.76 1zoiB1 LEU 270 H 0.15 0.59 -0.17 -0.55 8.37 8.40 1zoiB1 LEU 270 HA 0.20 0.01 0.37 -0.75 4.35 4.18 1zoiB1 LEU 270 HB2 0.43 0.10 0.12 -0.04 1.64 2.24 1zoiB1 LEU 270 HB3 0.22 -0.02 -0.07 -0.04 1.64 1.73 1zoiB1 LEU 270 HG 0.16 0.19 -0.01 -0.04 1.64 1.94 1zoiB1 LEU 270 HD13 0.28 -0.04 -0.14 -0.04 0.93 0.99 1zoiB1 LEU 270 HD23 0.10 -0.02 -0.08 -0.04 0.89 0.85 1zoiB1 LEU 271 H 0.28 0.55 -0.22 -0.55 8.37 8.44 1zoiB1 LEU 271 HA 0.40 0.02 0.34 -0.75 4.35 4.36 1zoiB1 LEU 271 HB2 0.28 0.04 0.09 -0.04 1.64 2.00 1zoiB1 LEU 271 HB3 0.16 0.12 0.13 -0.04 1.64 2.00 1zoiB1 LEU 271 HG 0.13 -0.02 -0.19 -0.04 1.64 1.51 1zoiB1 LEU 271 HD13 0.28 -0.00 0.00 -0.04 0.93 1.16 1zoiB1 LEU 271 HD23 -0.25 -0.01 -0.04 -0.04 0.89 0.55 1zoiB1 ALA 272 H 0.16 0.43 -0.22 -0.55 8.40 8.22 1zoiB1 ALA 272 HA 0.11 -0.01 0.35 -0.75 4.34 4.03 1zoiB1 ALA 272 HB3 0.11 0.01 0.07 -0.04 1.41 1.56 1zoiB1 PHE 273 H 0.27 0.34 -0.35 -0.55 8.34 8.05 1zoiB1 PHE 273 HA 0.04 0.07 0.49 -0.75 4.62 4.46 1zoiB1 PHE 273 HB2 0.04 -0.07 0.02 -0.04 3.15 3.11 1zoiB1 PHE 273 HB3 0.04 0.05 0.10 -0.04 3.06 3.21 1zoiB1 PHE 273 HD2 0.01 -0.03 -0.11 -0.04 7.28 7.11 1zoiB1 PHE 273 HE2 -0.00 0.03 -0.14 -0.04 7.38 7.23 1zoiB1 PHE 273 HZ 0.00 0.03 -0.52 -0.04 7.32 6.79 1zoiB1 ILE 274 H 0.14 0.58 -0.04 -0.55 8.25 8.38 1zoiB1 ILE 274 HA -0.25 0.04 0.39 -0.75 4.18 3.60 1zoiB1 ILE 274 HB 0.04 -0.02 0.05 -0.04 1.89 1.92 1zoiB1 ILE 274 HG12 -0.09 -0.04 -0.11 -0.04 1.49 1.21 1zoiB1 ILE 274 HG13 0.10 0.10 -0.01 -0.04 1.21 1.36 1zoiB1 ILE 274 HG23 -0.21 -0.01 -0.21 -0.04 0.93 0.46 1zoiB1 ILE 274 HD13 -0.40 -0.05 -0.17 -0.04 0.88 0.21 1zoiB1 ARG 275 H 0.11 0.72 -0.07 -0.55 8.46 8.67 1zoiB1 ARG 275 HA 0.11 0.13 0.46 -0.75 4.34 4.30 1zoiB1 ARG 275 HB2 0.28 -0.04 0.01 -0.04 1.90 2.10 1zoiB1 ARG 275 HB3 0.14 0.06 0.04 -0.04 1.80 2.00 1zoiB1 ARG 275 HG2 0.08 -0.05 0.01 -0.04 1.67 1.67 1zoiB1 ARG 275 HG3 0.10 0.01 0.03 -0.04 1.67 1.77 1zoiB1 ARG 275 HD2 0.07 -0.05 0.00 -0.04 3.22 3.19 1zoiB1 ARG 275 HD3 0.16 0.07 -0.00 -0.04 3.22 3.41